#DEFINITION	Reference Metabolome for Rosa multiflora
#IDENTTFIER	RefMeta-Rosa multiflora.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Rosa multiflora
#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 Rosa multiflora 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	998.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86140	100.0
69.86528	92.8
71.13717	35.6
71.20158	40.5
78.78621	42.2
257.89114	39.3
272.88403	39.2
670.01422	44.9
933.34039	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
81.82286	0.3
83.01370	0.6
95.77486	0.4
107.01414	1.7
108.02172	1.3
109.02975	0.7
113.80974	0.3
121.02937	1.3
131.19043	0.3
148.01701	0.9
151.00363	8.2
159.04527	0.3
163.00391	1.7
169.01271	0.4
178.99850	3.6
187.03906	0.4
199.03854	0.7
201.02074	0.4
211.04021	1.0
215.03310	0.5
226.02669	0.7
227.03490	1.8
230.04594	0.3
243.02936	6.9
244.03616	0.4
245.04552	0.5
254.02211	1.5
255.02960	18.1
256.03339	1.1
271.02457	40.8
272.02957	2.4
273.03989	0.9
283.02386	0.7
299.01941	0.9
300.02725	75.0
301.03442	28.9
302.03790	1.5
342.31744	0.4
449.09991	0.3
449.20706	0.4
463.08713	1.7
505.09860	100.0
506.10138	9.2
507.10852	0.8
519.42615	0.3
526.01971	0.3
709.68475	0.4
757.33807	0.4
878.26050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.6417
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05016	0.9
71.53234	0.2
71.53596	0.2
73.02996	0.1
78.95889	0.5
83.05027	0.2
85.31144	0.1
88.20687	0.1
94.92503	0.2
95.10135	0.1
96.96004	1.3
96.96961	0.2
101.02435	0.2
125.02391	0.2
147.08153	0.2
169.01381	0.2
189.12863	0.3
259.00613	0.2
277.21643	1.1
290.08566	0.2
301.00046	0.1
325.25482	0.4
330.26108	0.1
361.29013	0.4
375.26685	0.2
377.28409	1.7
384.34756	0.1
393.26865	0.3
393.31631	3.3
394.31848	0.5
395.33356	0.4
397.30817	0.1
403.30197	0.2
405.31604	1.5
407.29648	0.3
409.31238	0.3
411.32813	0.2
421.31265	0.3
422.72131	0.1
423.28528	0.2
423.32816	1.8
425.30560	0.5
437.30615	1.2
439.32144	1.7
440.32364	0.3
441.33853	1.9
449.30624	0.6
455.26669	0.1
455.31625	5.2
456.32047	0.4
467.31665	5.9
468.31885	0.3
471.31363	0.2
483.31033	0.6
484.31915	0.7
485.32730	100.0
486.33078	7.8
960.35748	0.2
999.49066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6742
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22835	2.2
69.23262	1.8
70.25077	0.4
71.05021	1.6
90.88780	0.4
130.14886	0.4
136.71799	0.4
165.87061	0.4
268.04099	0.5
300.99863	0.5
387.30896	0.5
402.73569	0.5
405.31635	0.8
407.33173	2.2
423.32700	1.4
425.34100	2.2
427.32135	2.1
435.03238	0.5
443.35452	1.5
455.31464	0.7
467.31998	0.5
469.33203	23.4
470.33563	1.8
487.34271	45.0
488.34473	4.3
507.53180	0.5
553.51581	0.4
604.03925	0.5
678.75409	0.5
997.67462	100.0
998.67731	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	997.6985
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05021	3.9
71.21873	0.2
71.53218	0.3
83.05024	1.5
85.06586	2.0
87.08141	0.2
95.35241	0.2
97.06581	0.7
99.08160	0.3
109.06548	0.3
121.06599	0.2
123.08175	0.3
125.02396	0.4
133.02936	0.7
137.02478	0.3
137.09683	0.4
144.47969	0.2
145.02928	0.3
149.02451	0.2
160.01656	0.4
161.02415	0.4
169.01373	0.3
178.02588	0.3
179.03494	0.3
187.14925	0.3
189.13110	0.3
205.14142	0.4
205.15971	5.0
209.11702	0.4
297.22235	0.3
300.99957	0.4
311.23767	0.3
321.21832	0.5
323.23834	0.8
325.25247	0.5
337.25620	0.5
339.23178	0.4
339.26843	0.4
340.07797	0.3
341.24811	0.4
343.26263	0.6
355.26523	0.4
371.29706	0.3
379.29996	0.4
393.27957	1.3
395.29498	1.4
405.31659	0.7
407.33362	0.6
409.31195	2.0
410.31192	0.3
411.28397	0.3
411.32867	2.8
421.31522	0.3
423.33044	1.3
425.34271	26.5
426.34537	2.8
427.32483	0.8
429.29843	0.3
433.73035	0.3
439.32275	1.1
441.33823	8.3
442.34161	0.8
443.35281	100.0
444.35605	10.3
445.35901	0.8
455.31473	0.6
457.33160	1.9
461.36389	1.2
469.33423	0.3
473.32040	0.3
475.34241	7.7
476.34576	0.7
485.32867	1.1
487.34268	64.9
488.34592	7.2
489.34473	1.0
491.29654	0.7
491.33575	0.7
503.33398	0.5
504.34180	0.3
505.35361	63.6
506.35675	6.9
506.43317	0.3
507.36063	0.5
519.33112	0.8
851.25604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	11.8
72.99312	1.4
73.02957	2.0
85.02958	4.8
87.00887	3.8
89.02448	10.1
93.36032	1.1
97.02940	2.4
98.58620	1.0
101.02429	9.3
113.02449	6.5
117.89133	1.1
119.03477	3.2
123.22935	1.2
125.02469	5.5
143.03468	2.6
161.04523	3.3
179.05618	3.4
227.21873	1.5
235.08206	4.8
236.89523	1.0
277.21716	100.0
278.22076	3.9
300.99448	1.4
371.58200	1.2
379.12390	12.1
397.13498	35.6
398.13443	1.4
415.14743	8.1
440.88565	1.2
675.35974	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	995.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	3.8
69.94086	7.0
71.01384	5.0
77.03989	1.7
77.79858	1.2
78.43317	1.4
81.03485	6.8
83.01384	17.4
88.98859	1.6
89.02445	3.3
93.03447	4.9
95.05029	4.4
97.02921	6.8
98.20564	2.8
99.04525	3.9
101.02441	3.0
107.05009	3.3
108.02166	1.4
109.02951	12.0
121.02958	8.7
122.03730	3.2
123.04523	3.5
124.01674	3.7
125.02453	96.5
128.05994	1.3
131.05064	1.4
135.04500	6.1
137.02452	85.0
138.02827	1.1
139.03990	4.1
146.03741	31.4
147.04424	4.5
149.02412	3.7
150.03189	1.9
151.04015	6.5
159.04518	12.3
160.05289	4.9
161.02455	1.8
161.06075	1.5
163.00409	1.5
164.01158	22.3
165.01936	45.6
166.02271	1.5
167.03493	28.0
172.05319	8.6
173.06058	5.6
174.03209	13.7
174.06857	5.1
175.03947	5.9
176.04749	4.4
177.01942	5.6
179.03487	18.5
181.05025	1.7
185.06062	3.3
186.06885	3.0
187.04013	6.2
188.04814	11.6
189.05531	4.9
190.02779	2.0
197.06032	3.3
198.06743	1.9
199.07715	1.4
200.04831	8.7
201.05524	4.6
202.06310	2.0
204.04279	5.8
209.06044	3.1
210.06895	2.3
211.03961	2.2
211.07486	1.9
211.13403	1.9
212.04668	6.3
213.05482	3.0
213.09088	1.5
214.06252	1.6
223.07727	1.6
225.05515	5.7
225.12936	1.8
226.06281	2.6
227.07115	3.0
237.05402	2.1
239.07130	1.6
241.12251	1.7
243.13748	2.4
244.07451	2.0
251.06970	2.8
252.07935	4.0
255.13986	3.0
265.08670	1.6
266.09280	1.4
268.07333	3.7
269.08813	2.2
269.11838	8.1
269.15121	1.6
270.08994	3.9
270.12317	1.8
271.13394	35.7
277.21701	11.1
283.13440	5.5
285.14896	4.4
287.12949	3.0
289.14490	14.4
294.05463	1.7
294.08936	3.6
295.13440	4.5
297.14996	5.1
299.12881	9.0
300.13559	1.5
301.14505	4.6
313.14511	19.5
314.14407	1.8
315.15891	3.2
317.13834	6.6
325.14417	16.7
331.15472	4.2
332.15945	1.6
335.16602	2.7
337.14444	11.0
343.15549	5.9
351.16046	2.2
353.17426	3.7
355.15463	3.1
369.17087	1.8
377.17612	4.4
379.15411	2.4
393.16998	2.4
395.18719	7.3
401.17581	2.5
413.19791	2.3
419.18573	16.7
437.19604	9.4
463.17398	6.6
542.36652	1.7
557.70105	1.3
567.24396	10.3
579.24548	3.3
591.24677	3.2
655.27637	1.7
671.42493	1.8
673.28778	8.9
674.29242	1.7
691.29095	2.5
696.49744	1.5
717.27740	5.2
756.36694	1.5
827.45850	24.2
828.45825	4.4
839.45398	19.0
840.46344	1.9
851.45416	9.5
857.46814	13.3
858.47943	1.6
893.47058	1.8
909.49994	1.9
933.50220	18.1
934.50824	2.5
951.49463	6.0
959.48541	6.0
977.49133	100.0
978.49091	20.1
995.50067	74.5
996.50684	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	995.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	3.1
70.55090	1.8
71.01382	5.2
71.05028	0.9
71.96029	0.7
74.33537	0.8
77.03958	1.7
81.03449	7.1
83.01395	15.4
83.05018	1.2
85.02969	1.4
89.02428	2.0
91.05512	1.0
93.03447	5.7
95.01385	2.9
95.05018	4.2
97.02966	7.5
99.04523	3.9
101.02435	3.0
107.05002	2.4
108.02183	0.8
108.90196	3.3
109.02952	10.4
113.02419	1.8
120.02187	1.4
121.02954	8.4
122.03711	3.4
123.00852	1.6
123.04520	2.5
124.01646	2.5
125.02450	86.1
133.02893	1.5
135.04535	4.6
137.02448	68.4
138.03134	0.9
139.03964	2.4
146.03740	26.8
147.04485	2.3
148.01630	1.2
149.02429	3.4
149.06070	0.7
150.03140	1.5
151.03976	4.6
158.03766	1.5
159.04498	9.1
160.05292	4.0
161.02431	2.4
161.06075	3.7
162.03241	1.7
163.00378	1.5
163.03946	1.3
164.01154	20.0
165.01930	46.0
166.02295	1.1
167.03494	23.1
172.05267	4.8
173.06061	5.4
174.03212	13.7
174.06837	4.0
175.03960	2.5
176.04736	3.4
177.01936	6.7
179.03516	13.4
181.05022	2.3
185.06094	2.8
186.06865	1.7
187.04010	5.6
187.07533	1.0
188.04778	9.4
189.05551	1.9
191.03435	1.3
196.05190	1.2
197.06084	1.7
198.06862	1.4
199.03918	1.5
199.07590	1.4
200.04829	6.0
200.08276	0.8
201.05528	5.2
202.06351	1.1
203.03433	0.9
204.04265	5.7
207.13907	0.9
209.06073	2.7
210.06842	3.1
211.03989	2.8
211.07516	1.1
212.04819	6.5
213.05515	1.9
223.07529	1.7
224.04732	2.1
225.05547	6.5
225.12827	1.1
226.06239	3.5
227.07068	1.3
228.07799	1.3
237.05482	2.8
238.06288	1.0
239.07146	1.1
241.12407	0.9
243.13803	2.1
244.07385	1.3
250.06300	1.5
251.07181	3.1
252.07892	3.5
253.08969	1.3
254.05797	1.0
255.13873	2.7
265.08658	1.6
268.07330	3.5
269.08154	1.1
269.11789	6.6
269.14645	1.2
270.08926	3.6
270.12625	1.1
271.13394	34.7
272.13712	1.9
276.08029	0.9
277.21664	9.0
279.10345	0.9
281.15561	1.1
283.13458	4.6
285.14917	3.5
287.12827	2.0
288.06448	1.8
289.14459	13.4
290.14801	1.1
293.99365	1.2
294.08951	5.5
295.13455	4.2
297.14951	3.3
299.12903	9.3
300.13431	1.2
300.99982	0.9
301.14291	4.7
303.16037	1.4
307.13318	1.3
309.14978	3.3
311.12836	1.5
313.14474	20.9
315.15906	3.1
317.13919	6.6
320.07037	1.2
325.14462	13.4
327.15927	1.0
331.15582	4.2
335.16565	3.9
337.14386	6.7
343.15448	5.8
349.18100	1.0
351.15982	2.2
353.13705	1.2
353.17603	2.3
355.15506	3.6
369.16956	1.7
377.17480	5.8
379.15399	2.5
391.19305	1.7
393.17026	2.7
395.18738	5.7
401.17334	1.9
410.17328	1.0
411.17935	0.9
413.19559	1.8
419.18634	12.6
420.18701	0.8
437.19730	10.2
445.16241	1.8
449.04526	0.8
455.20828	1.2
463.17566	5.3
481.18579	1.5
567.24249	6.1
579.24310	1.8
591.24463	1.7
592.24823	1.0
597.25208	1.8
609.25104	0.9
634.59326	0.8
655.27155	1.1
673.28778	8.8
691.29620	1.9
699.26428	1.8
717.27606	5.5
749.32910	0.9
785.44305	1.1
797.44812	1.2
827.45941	18.0
828.45892	3.9
839.45825	12.3
840.45770	1.9
851.46069	9.8
857.46912	13.0
858.47412	1.4
869.45935	0.9
893.46906	3.3
909.49579	1.9
933.49860	18.7
934.50372	2.7
951.49200	4.1
959.48004	7.4
977.49023	100.0
978.49207	17.0
995.50128	70.6
996.50232	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	993.6648
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.3
71.05008	0.8
71.53085	0.2
73.02938	0.9
83.05013	0.7
88.22462	0.2
106.40672	0.3
109.06605	0.2
111.04521	0.3
125.02428	0.3
128.75934	0.3
133.02954	0.3
133.28839	0.2
161.02452	0.2
166.02650	0.5
181.05055	0.8
199.94046	0.2
209.11871	0.3
296.08911	0.5
300.99911	0.4
308.02975	0.3
363.27081	0.5
373.24911	0.3
377.28571	0.5
379.30133	0.9
387.26926	1.0
389.24561	0.3
391.30380	0.4
393.31827	1.5
401.28439	1.6
403.30020	1.1
404.30246	0.3
405.28104	0.4
407.29459	0.7
409.31030	1.2
417.27948	0.8
419.29459	1.1
421.31146	6.3
422.31412	0.8
425.30118	0.4
435.28305	0.3
437.30511	0.9
439.32080	1.6
441.34134	1.3
445.36954	0.5
453.30042	1.1
454.30045	0.3
455.31583	2.6
457.33218	1.1
471.31061	2.1
473.32413	0.8
475.34174	0.4
483.30899	1.1
485.32776	2.7
486.32947	0.7
487.34680	1.8
489.36230	4.9
490.36612	1.5
491.33987	1.4
501.32190	100.0
502.32532	11.9
503.33572	7.5
504.33704	1.1
517.31653	0.6
993.66620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.7037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71658	0.9
69.72070	1.2
71.05024	0.6
78.95928	0.4
86.17724	0.4
88.98756	0.4
96.94356	0.4
118.85573	0.4
125.02416	1.0
152.15295	0.4
153.40680	0.4
169.01346	0.6
209.11801	0.5
217.16165	0.4
246.04909	0.4
293.21149	0.5
300.99872	1.0
361.25342	0.8
377.28458	4.3
378.29031	0.4
391.30212	1.2
393.31619	6.6
394.32089	0.5
405.31696	0.7
407.29019	3.8
407.33548	1.1
409.31036	4.1
423.32712	17.7
424.33124	1.8
425.34219	8.5
426.34555	1.2
439.32297	0.7
441.33908	2.2
442.34518	0.6
443.35297	1.4
453.30032	2.7
469.33273	8.2
470.33643	1.7
487.34332	14.8
488.34784	3.4
489.34891	1.5
491.34186	0.6
501.31912	1.3
503.33423	2.4
504.34070	1.6
505.35367	100.0
506.35645	11.7
507.35950	1.6
517.30780	0.4
532.99103	0.4
632.80591	0.4
915.26721	0.4
944.57837	0.5
993.64813	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	995.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	4.5
71.01360	3.7
75.00850	1.7
77.03934	1.5
79.91295	1.2
81.03465	9.2
81.60495	1.1
83.00925	1.5
83.01387	20.6
85.02924	1.4
87.00848	2.1
89.02425	1.6
93.03463	4.6
95.01359	2.7
95.05029	5.4
97.02975	7.0
98.20737	2.9
99.04507	5.7
101.02412	3.3
107.05018	2.2
108.02184	1.5
109.02949	10.5
109.54907	1.1
113.02412	2.2
120.02187	1.7
121.02957	11.1
122.03721	3.5
123.04504	4.9
124.01653	2.5
125.02445	94.8
126.02752	1.2
131.05026	1.8
133.02979	1.3
135.04523	5.8
137.02441	83.4
138.02919	1.3
139.03990	1.8
139.09206	1.0
145.02902	1.3
146.03738	26.9
147.04471	3.9
149.02412	3.0
150.03175	1.6
151.04016	7.0
154.02649	1.6
158.03691	1.9
159.04498	15.0
160.05235	4.2
161.02443	3.8
161.06059	4.0
162.03209	2.2
163.00346	1.7
164.01152	20.6
165.00552	2.3
165.01924	48.1
166.02299	1.9
167.03479	30.7
172.05284	9.9
173.06085	5.4
174.03207	17.0
174.06743	3.5
175.03990	5.6
176.04689	4.5
177.01910	10.0
179.03502	17.6
185.06038	4.3
186.06854	1.7
187.04007	7.4
188.04774	13.5
189.05444	3.0
191.03438	1.2
196.05199	1.3
197.06012	1.8
199.04010	2.1
199.07596	2.1
200.04831	8.7
201.05589	6.6
202.06349	1.5
204.04329	6.7
209.06071	2.7
210.06802	3.0
211.03957	2.8
211.13393	2.1
212.04718	7.7
213.05484	1.8
213.09206	1.3
225.05539	7.7
225.12851	2.0
226.06310	3.7
227.07011	1.9
237.05624	1.5
239.06956	1.7
241.12248	1.5
243.13826	1.6
244.07349	1.3
250.06186	1.2
251.07109	5.3
252.07759	3.9
253.08795	1.6
255.13890	4.5
268.07300	4.5
269.08444	2.0
269.11780	8.7
269.14630	1.6
270.08997	3.6
270.12399	2.3
271.13376	35.6
272.13733	1.8
277.21686	26.4
281.11807	1.6
283.13376	3.7
285.14877	4.6
287.05576	1.9
287.12839	3.1
288.06396	2.7
289.14490	7.2
294.08899	5.5
295.13339	3.7
297.14865	4.7
299.12900	10.8
301.14398	4.2
309.15057	2.7
311.12729	2.3
313.14441	26.3
314.14749	1.7
315.15982	3.2
317.13730	4.0
320.06964	2.8
325.14462	17.8
331.15375	3.3
335.16443	4.2
337.14359	9.9
343.15601	7.5
351.16083	1.8
353.17435	2.2
355.15527	2.7
377.17480	4.6
379.15433	4.1
393.16898	3.3
395.18518	5.9
401.17529	1.9
419.18658	19.8
420.19000	2.4
437.19592	9.5
445.16647	2.7
463.17706	9.2
481.18652	1.7
540.75952	1.2
567.24432	4.7
579.24445	2.0
591.24542	1.8
615.69305	1.3
633.24500	1.4
673.28406	3.7
699.25134	1.3
717.27563	2.6
785.44714	1.5
797.44928	2.3
813.44470	2.1
827.45862	26.9
828.46344	4.0
839.45819	18.1
840.46387	2.5
851.45447	9.1
852.45929	2.4
857.46912	13.5
858.47888	1.6
891.49170	1.5
893.46826	3.1
933.50018	20.3
934.49872	3.2
951.50146	5.5
959.48364	5.5
960.49976	1.4
977.48969	100.0
978.49377	18.9
995.50043	72.4
996.50299	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	993.6441
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01339	0.6
71.05016	2.0
71.53588	0.7
83.05025	9.2
84.47269	0.6
97.06591	1.1
109.06591	1.1
116.61556	0.7
116.92874	0.7
125.02475	0.7
173.13383	0.7
173.89491	0.5
205.15781	1.2
230.00099	0.6
300.99716	1.5
339.27109	2.7
344.46570	0.7
348.87735	0.6
355.26492	1.0
357.28094	4.5
375.26773	0.7
376.42453	0.6
389.27853	0.8
391.30164	1.1
401.26926	2.2
405.31567	2.5
407.29367	1.6
411.32602	0.8
413.30481	2.5
423.32736	3.1
425.30862	0.8
437.30551	1.6
439.31940	1.3
441.33731	3.3
443.34985	1.6
444.35565	1.1
455.31485	1.9
458.33990	1.0
467.31595	18.8
468.32083	2.4
471.31015	0.6
473.32831	2.0
485.32706	47.1
486.33002	10.3
487.34070	18.5
488.34531	9.0
489.35928	20.7
490.36081	2.4
501.32248	6.0
502.32697	3.0
503.33774	14.5
504.34222	5.2
505.33328	2.3
507.32669	2.3
519.23730	0.6
815.43939	0.6
869.11414	0.7
993.64319	100.0
994.64624	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	993.6424
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04996	2.5
83.42693	0.8
88.98274	1.4
88.98804	23.8
107.61752	0.7
125.02425	1.4
126.33276	0.8
139.53040	0.7
149.43636	0.9
159.22789	0.7
169.01428	1.0
209.11812	0.9
277.60028	0.9
300.99792	1.9
377.28476	1.7
391.30289	1.2
393.31638	2.0
397.13501	1.1
403.29666	1.2
421.31003	1.0
423.32327	4.1
425.30637	2.8
437.04584	0.8
437.30444	2.6
441.33340	1.6
446.36728	0.8
467.31671	20.3
468.31982	1.2
485.32718	38.7
485.59448	0.9
486.33136	5.5
487.34302	1.2
493.13123	0.9
517.35431	0.9
619.37616	0.9
993.64325	100.0
994.64563	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	993.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46385	1.3
71.01385	0.6
75.70486	0.2
78.42268	0.2
85.02936	0.2
89.02411	0.3
89.04007	0.3
93.03460	0.6
98.20741	0.2
101.02428	0.4
113.02441	0.3
117.03468	28.2
118.03826	0.6
119.05030	14.1
121.02971	0.3
125.02460	0.6
133.02966	0.3
133.06616	1.6
142.47903	0.2
145.02954	100.0
146.03288	3.0
147.04510	0.4
159.04475	1.3
161.02477	0.3
161.06097	3.8
163.04008	14.2
164.04364	0.3
177.05569	1.0
187.03999	4.1
205.05031	3.4
217.05017	0.3
225.73749	0.2
229.05034	0.3
235.06155	1.9
247.06308	0.3
265.07202	4.3
266.07629	0.3
285.04123	0.2
300.99667	0.6
307.08200	10.2
308.08435	0.8
309.07739	0.4
325.09280	1.5
351.08569	0.3
381.09906	0.7
411.10883	2.8
446.75125	0.2
453.11652	0.2
459.35059	0.3
471.12936	63.3
472.13303	4.7
473.13608	0.5
493.21292	0.3
617.09064	0.2
714.83661	0.2
876.60443	0.3
891.77478	0.3
938.99945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.6892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23597	1.2
69.24020	0.7
71.01390	0.2
71.05022	0.8
76.98806	0.5
78.37438	0.2
85.06592	0.6
86.82348	0.2
87.22161	0.2
95.78726	0.2
96.96000	0.2
97.06602	0.3
109.06598	0.2
117.63144	0.2
130.00674	0.2
191.05730	0.3
205.15977	0.3
228.09319	0.2
321.22202	0.5
325.25787	0.2
341.24988	0.3
351.26910	0.8
353.24460	0.2
355.26590	0.3
359.26138	0.4
367.26587	0.3
369.28101	0.4
377.28723	0.5
385.27658	0.4
391.30212	0.3
393.27359	0.2
393.31735	1.2
395.29568	0.4
401.27380	0.4
407.33627	1.2
409.31540	0.5
411.33084	0.3
415.28275	0.3
419.29672	0.4
421.31183	0.6
423.32910	1.5
425.29785	0.3
425.34808	0.3
427.32141	0.4
428.71555	0.2
439.32227	2.0
440.32773	0.4
441.33777	4.6
441.39859	0.2
442.34070	0.5
443.35318	5.9
444.35602	0.8
455.31610	0.5
457.33286	3.2
458.33505	0.3
469.33371	1.2
471.31354	0.4
473.32986	1.2
475.34253	17.1
476.34625	1.6
483.31003	0.5
485.32608	2.7
486.33035	0.8
487.34317	100.0
488.34726	9.2
489.35266	1.0
501.32248	3.2
502.32593	0.5
503.33826	16.9
504.34137	2.3
517.31708	0.3
519.33502	0.5
770.84192	0.2
787.30902	0.3
862.70776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.6907
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	0.5
71.05017	2.4
71.53165	0.7
73.02946	1.0
81.18871	0.5
83.05068	0.5
91.77348	0.4
97.06606	0.6
125.02413	0.6
138.69025	0.5
169.01335	0.6
229.01646	0.5
301.00009	1.1
350.28915	0.5
353.24774	0.6
363.26712	0.6
367.26355	0.7
377.28552	0.9
378.54810	0.5
387.26712	0.6
389.24869	0.6
391.30081	1.1
393.31778	1.8
395.29944	0.7
399.32751	1.4
401.28464	1.7
403.29883	0.9
407.29578	1.1
409.31070	2.6
417.28058	1.5
419.29639	1.9
421.31058	7.9
422.31622	0.6
423.28955	0.8
427.36243	2.8
429.34058	0.6
435.29001	0.9
437.30673	3.7
439.32245	6.2
441.33749	2.2
443.35715	0.9
445.37054	7.4
446.37610	0.5
451.28101	0.6
453.30121	2.1
455.31769	4.3
457.33582	2.4
469.33527	0.6
471.31076	6.5
472.31442	1.0
473.32657	2.2
475.34396	0.9
483.31134	1.1
485.32727	1.8
487.34985	9.0
488.34613	3.6
489.35925	85.7
490.36337	6.3
491.34189	0.5
499.30798	2.4
501.32211	100.0
502.32562	11.9
502.39636	0.8
503.33652	11.5
504.34280	1.0
517.31940	1.6
624.95978	0.6
720.95447	0.6
991.63812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.689
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05019	5.8
71.53561	1.0
73.02955	0.6
83.05045	1.4
85.06587	2.8
97.06570	1.4
109.06622	1.1
117.06208	0.6
203.96022	0.8
205.16013	3.4
207.52966	0.7
273.92603	0.8
300.99942	0.7
307.20721	0.8
321.22324	1.0
323.23703	0.7
325.25296	2.2
337.25363	1.0
343.26447	1.7
345.24185	0.9
355.26431	0.7
375.26358	0.7
381.31262	0.7
381.69531	0.7
387.25601	1.3
393.27808	1.6
395.29477	2.2
407.29428	1.0
409.31213	2.8
410.31836	0.7
411.32739	3.6
421.31119	3.7
423.32748	1.8
425.34311	22.6
426.34613	4.8
427.31979	0.9
427.35306	0.8
439.32214	7.2
440.32568	1.4
441.28152	1.0
441.33847	24.6
442.34006	5.0
443.35269	56.0
444.35651	11.7
445.36072	4.7
455.31802	4.0
457.33224	14.5
457.70575	0.7
458.33658	3.1
459.34000	2.1
471.31100	2.9
473.32605	2.2
475.34271	100.0
476.34589	21.4
477.34821	9.1
478.35022	0.9
483.31067	2.3
485.32761	12.1
486.33078	2.6
487.34326	32.9
488.34702	8.0
489.32010	6.9
499.30533	1.5
501.32172	26.6
501.39456	1.4
502.32758	6.4
503.33896	37.1
504.33978	2.6
505.35257	4.9
517.31335	1.5
519.33124	6.9
520.33429	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	991.6876
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30779	0.1
69.79885	0.1
71.01375	0.2
71.05030	1.8
71.52968	0.2
72.05344	0.2
83.05042	0.2
85.02968	0.1
86.84015	0.1
90.88953	0.1
93.30986	0.1
97.02943	0.2
97.06581	0.5
120.07870	0.1
125.02444	0.1
169.01532	0.2
205.15991	0.6
206.16368	0.3
209.11832	0.1
300.99863	0.3
301.27191	0.2
305.21304	0.2
307.20438	0.2
314.41690	0.1
321.22113	0.4
325.25171	0.2
337.25269	0.4
339.26682	0.2
340.27155	0.2
351.27209	0.2
355.26370	0.4
369.27896	0.2
377.28510	0.6
379.29956	0.2
380.30240	0.2
391.30240	0.2
393.27335	0.2
393.31717	0.9
407.29132	0.2
408.30222	0.2
409.31046	0.3
410.31503	0.2
423.27759	0.2
423.32764	2.8
424.33090	1.6
425.33377	0.5
427.32065	0.2
437.30850	0.6
438.30859	0.3
439.32190	1.7
440.32770	1.2
441.33731	5.8
442.34143	4.6
443.34586	2.2
455.31702	1.6
456.31979	1.5
457.32907	0.9
459.34760	0.4
465.23734	0.2
467.31857	0.2
473.32712	8.3
474.33096	7.2
475.33496	3.5
483.31293	0.5
484.31461	0.4
485.32639	3.2
486.33096	2.5
487.34283	100.0
488.34631	10.6
489.35025	1.0
499.31067	0.3
501.32199	1.0
502.32718	0.6
503.33853	10.3
504.34262	1.7
505.34415	0.6
517.31445	0.4
519.33148	0.4
954.12390	0.1
954.31091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.687
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05019	5.7
83.05038	1.6
88.98793	0.3
92.83046	0.3
109.06596	0.5
197.72482	0.4
236.64047	0.3
265.95038	0.3
300.99786	0.6
339.26910	0.5
353.28860	0.8
357.27887	0.4
369.27969	0.8
371.29532	5.7
372.29715	0.3
391.30066	0.6
393.31714	0.7
409.31039	0.5
411.32980	0.4
415.28110	1.8
421.30740	0.5
423.32901	0.7
425.34119	0.6
427.31873	0.6
437.30692	0.4
438.81592	0.3
439.31812	0.5
441.33823	2.6
442.34052	0.5
443.35284	25.2
444.35754	2.3
455.31580	0.4
457.33170	4.7
458.33395	0.6
459.34818	1.1
467.31671	3.0
468.31863	3.2
469.32480	1.8
473.32806	2.2
474.32785	0.5
485.32733	23.1
486.33063	19.4
487.34207	100.0
488.34598	10.9
489.35245	2.7
499.30969	0.5
501.32196	3.4
502.32635	1.4
503.33801	21.0
504.34192	5.4
505.34781	2.5
517.31128	0.4
610.53021	0.4
794.25378	0.4
991.67462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52882	0.6
72.93842	0.4
83.01378	1.2
93.03432	0.6
93.31498	0.4
97.02933	0.6
107.01376	1.5
108.02182	0.6
109.02962	3.1
113.45477	0.4
116.39127	0.5
121.02915	1.1
123.04512	1.2
125.02428	2.1
135.00861	1.0
137.02419	1.3
148.01604	0.9
149.02397	0.9
151.00377	6.4
151.03951	0.7
161.06102	0.6
163.00366	1.9
164.01141	0.8
165.01979	0.7
169.01195	0.5
178.99855	3.7
183.04529	0.5
187.03984	1.1
188.04730	0.5
192.06068	0.6
199.03856	0.5
203.07121	1.0
205.04900	0.9
211.04047	0.7
226.02730	0.5
227.03447	1.7
243.02966	6.2
245.04488	0.5
245.08199	2.0
248.11325	0.5
254.02127	1.2
255.02985	16.1
256.03278	1.4
260.52142	0.5
271.02472	38.7
272.02859	2.8
283.02533	0.9
289.07150	5.0
299.02075	0.8
300.02737	73.7
301.03467	25.4
301.06339	0.4
302.03793	1.0
441.08411	5.6
441.13843	0.8
463.08865	1.7
505.09863	100.0
506.10217	9.1
640.00250	0.5
842.53308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.6878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23180	2.4
69.23592	6.4
70.21426	0.9
71.05026	1.1
73.94987	0.8
75.75333	0.9
88.98817	2.0
115.73352	0.8
125.02422	1.5
133.02943	1.0
142.58026	0.8
169.01501	1.1
300.99829	3.3
409.30713	1.1
439.32242	2.1
441.33914	1.5
455.31662	1.5
456.31839	1.2
465.73868	0.9
469.33124	8.3
473.32333	1.4
485.32861	10.6
486.32806	2.7
487.34308	100.0
488.34561	13.5
489.32626	3.7
499.30582	1.3
501.32047	8.5
502.32492	7.3
503.33716	14.1
505.35107	2.4
991.66260	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	991.6859
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.6
71.05028	1.8
71.53053	0.5
76.98810	2.7
79.92636	0.3
83.05010	0.4
88.98817	1.0
95.05001	0.3
97.06593	0.5
97.25129	0.2
104.03541	0.3
123.00862	0.3
125.02444	0.6
137.09711	0.4
169.01480	0.6
173.23723	0.2
205.43474	0.3
286.56955	0.3
300.99832	0.9
339.26846	0.3
340.27216	0.3
377.28632	0.7
379.30377	0.5
389.28482	0.4
391.30035	0.9
393.31607	1.0
397.12604	0.3
399.32813	1.6
403.30447	0.3
405.31659	1.0
407.33221	20.0
408.33661	1.8
409.34995	4.2
410.35071	0.4
421.03259	0.4
421.31165	0.7
422.31390	0.8
423.32681	4.8
424.33249	1.3
425.34454	2.3
426.34857	0.3
427.31491	1.0
427.36835	1.8
437.30508	0.7
438.30878	0.5
439.31650	0.4
440.32916	0.5
441.33841	1.9
442.34216	1.5
443.35330	2.6
449.30545	0.7
451.32483	0.4
453.33832	8.0
454.34482	0.6
455.31604	4.7
456.31992	5.2
457.32690	3.7
467.31656	3.0
468.32092	0.9
469.33273	19.1
470.33755	1.7
471.34714	0.6
472.34766	0.3
473.36676	1.8
474.32678	0.4
475.33444	0.6
485.32767	9.6
486.25900	0.5
486.33115	14.2
487.34283	100.0
488.34625	8.9
501.32156	0.7
503.33734	1.0
505.33832	0.4
513.32202	2.4
517.31348	0.6
991.68457	2.1
992.68848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6723
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23174	2.6
69.23589	1.8
71.05014	5.5
73.42301	0.5
75.79061	0.4
78.91918	0.7
80.91684	1.4
83.05018	1.5
85.06572	2.7
87.37157	0.5
91.80187	0.4
97.06577	0.6
107.65682	0.5
120.93401	0.5
125.63213	0.4
131.03693	0.5
137.09708	0.7
146.93903	0.9
168.35754	0.5
168.63551	0.5
201.96263	1.4
203.96001	3.3
205.15965	3.5
207.13971	0.7
311.23911	0.5
321.22290	1.0
323.23572	0.7
325.25116	1.1
330.88254	0.5
337.25296	0.7
339.23181	0.9
341.24915	0.8
343.26486	1.7
351.26926	0.8
369.27960	1.3
393.28094	1.6
395.29630	2.5
399.32809	0.7
403.30295	0.7
409.31110	1.9
411.32913	2.5
421.31073	3.6
423.32632	2.1
425.34314	20.7
426.34598	2.1
427.32416	1.2
437.30621	0.8
439.32086	8.1
440.32065	0.6
441.33783	21.0
442.33966	1.7
443.35291	56.8
444.35648	5.0
453.30066	0.8
455.31577	2.2
457.33206	15.2
458.33511	2.0
461.36295	0.9
471.31161	0.9
473.32745	1.0
475.34268	100.0
476.34714	10.1
483.31116	2.0
484.32010	0.6
485.32770	12.0
486.32904	1.5
487.34393	28.9
488.34421	2.3
489.32224	5.7
497.95468	0.6
499.30423	0.8
501.32248	29.4
502.32492	2.6
503.33630	4.6
505.35364	0.8
519.33521	5.3
663.28967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.6798
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19830	0.4
70.98161	0.2
71.05068	0.4
78.95901	3.3
90.28710	0.2
152.99640	0.6
168.04398	0.6
181.04752	0.3
209.11839	0.5
224.07011	1.1
242.07973	0.2
250.86189	0.2
279.23288	15.9
280.23682	0.7
308.88577	0.2
411.32773	0.8
427.35764	0.8
434.38092	0.2
441.33820	0.3
451.32385	0.5
453.33707	5.1
454.33936	0.4
471.34766	100.0
472.35165	7.6
504.30933	26.4
505.31134	1.6
727.54749	0.2
753.15717	0.2
931.60297	0.4
990.68237	2.1
991.69379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6719
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27812	0.9
71.01352	0.1
71.05019	0.6
76.28107	0.1
77.70303	0.1
83.05004	0.2
98.19927	0.2
100.24264	0.1
109.06518	0.1
121.63112	0.1
191.97575	0.1
205.15912	0.1
371.29617	0.4
379.30301	0.2
389.28510	0.1
391.30093	0.2
393.31726	0.3
403.30029	0.1
405.31638	0.3
407.33179	1.1
408.33670	0.1
421.31000	0.3
423.32745	0.5
425.34479	1.0
427.31909	1.1
437.30392	0.1
439.32257	0.9
441.33755	0.3
443.35135	0.9
455.31586	0.3
456.31909	0.2
457.32883	0.3
467.31494	0.4
469.33203	11.0
470.33722	1.1
483.31348	0.2
485.32874	0.8
486.33029	0.2
487.34256	100.0
488.34613	10.2
488.44946	0.2
489.34879	0.2
501.32175	6.7
502.32742	0.5
503.33664	0.3
513.32245	0.3
793.54492	0.1
942.02228	0.1
989.66498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6718
Annotation	Unknow
Peak:m/z	Relative Intensity
68.69199	0.2
69.26462	0.4
69.26887	2.0
71.01369	0.5
71.05020	0.8
80.53539	0.2
83.05035	0.9
88.45414	0.2
95.46313	0.2
97.06600	1.0
109.06594	3.6
110.06879	0.3
117.53098	0.2
119.08670	0.3
137.09729	0.6
201.52858	0.2
205.15961	0.8
231.17572	0.5
249.18538	1.2
267.19617	2.0
301.00040	0.5
305.21204	0.7
326.11963	0.3
327.90207	0.3
371.23727	0.4
385.27631	0.5
389.28415	0.7
391.25629	0.3
391.30093	0.8
393.31760	0.3
403.30228	0.5
405.26675	0.4
405.31668	6.1
407.29163	0.4
409.27203	1.0
421.31171	4.9
422.31369	0.5
423.32739	21.5
424.33011	2.2
425.30615	0.7
437.30725	3.1
438.30719	0.3
439.32193	21.7
440.32382	2.0
441.33762	12.1
442.34109	1.3
453.29916	0.5
455.31644	11.5
456.32062	1.1
457.33276	0.4
467.31741	9.7
468.31815	1.2
469.33246	13.6
470.33505	1.5
473.32715	2.2
474.33133	0.4
483.31030	0.8
485.32730	100.0
486.33051	9.4
487.34271	11.9
487.44791	0.3
488.34528	1.1
499.30496	1.3
501.32275	5.1
502.32605	1.1
503.33765	5.4
504.34085	0.6
513.32318	0.6
705.10400	0.3
989.66803	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	989.6719
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85881	0.6
71.05016	1.1
83.05028	2.6
97.06581	0.3
98.19999	0.2
109.06581	0.3
132.33929	0.2
135.00972	0.2
206.48816	0.3
225.44028	0.3
235.80785	0.2
274.76245	0.2
300.99734	0.4
339.26974	0.3
355.26443	0.5
357.27887	1.2
369.28226	0.4
371.29590	0.4
375.30899	0.3
377.28293	0.4
389.28024	0.5
391.30038	1.0
393.31577	0.9
401.27280	0.4
405.31885	1.1
407.29401	0.8
409.31171	0.3
411.32767	0.3
413.30502	0.7
419.29425	0.3
421.31219	1.0
423.32922	1.4
425.30688	0.5
437.30621	0.8
441.33847	2.7
443.35306	1.9
455.31653	1.5
457.33063	1.0
459.34702	0.5
466.05371	0.3
467.31653	12.0
468.31757	1.5
473.32785	1.6
483.31216	0.8
485.32706	100.0
486.33057	12.0
487.34174	10.3
488.34827	0.6
491.72183	0.3
499.30750	0.7
501.32254	7.1
502.32611	1.7
503.33798	25.6
504.34329	2.0
511.30670	0.4
652.07709	0.3
989.67084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6722
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30813	2.5
71.05022	8.9
76.98857	0.4
83.05097	1.2
85.03015	0.4
85.06659	0.9
87.04594	0.5
97.06605	1.9
98.67783	0.3
99.10825	0.3
123.08224	0.6
194.28139	0.3
205.15947	4.3
206.16368	0.4
238.89232	0.3
265.18256	0.4
305.21454	1.3
306.19894	0.3
307.20734	0.5
321.22241	2.2
323.23712	0.7
325.21848	0.6
325.25388	0.3
337.21872	0.4
337.25204	1.8
339.26956	1.0
341.24838	0.4
349.25226	0.4
351.26938	1.2
353.24860	0.4
355.26343	2.0
357.24408	0.7
365.28558	0.3
367.26465	2.0
369.28119	1.4
371.26059	0.5
379.29977	1.9
383.26413	0.3
391.26398	0.9
392.93588	0.3
393.28024	0.8
395.29547	0.7
397.31140	1.1
401.26788	0.7
405.31793	0.5
407.29526	2.5
409.26642	0.5
409.31647	1.8
411.25452	0.6
419.29272	0.7
421.27164	0.9
421.31580	0.8
423.32706	18.3
424.33090	1.9
425.30618	0.8
429.29959	0.6
437.30649	3.9
439.32166	15.3
440.32565	2.0
441.33722	67.5
442.34030	6.2
453.30283	0.6
455.31613	16.3
456.32053	1.9
456.59229	0.3
457.33124	0.5
459.34750	1.2
467.31326	0.4
469.29471	0.5
471.31366	0.5
473.32681	100.0
474.33078	8.5
475.33392	0.9
483.31180	4.6
484.31241	0.6
485.32721	27.2
486.33002	3.0
487.34296	12.1
488.34900	0.9
501.32181	4.2
502.32709	1.1
503.33844	16.4
504.34064	1.2
517.31714	0.9
548.59381	0.4
601.44769	0.3
688.20331	0.4
890.04987	0.4
896.27753	0.4
907.80566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	10.1
83.61392	5.3
94.04167	5.9
112.13442	5.6
244.15179	6.7
256.76035	6.6
275.20142	6.8
277.21661	34.5
293.21231	100.0
349.74643	5.6
350.03104	5.7
379.12546	7.0
397.13504	47.7
415.14502	11.1
689.15790	7.6
957.70648	6.3
987.54346	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.6561
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26086	0.7
69.26492	2.7
71.01380	0.5
71.05021	1.8
72.45477	0.3
83.05015	1.4
89.41284	0.3
94.02423	0.3
97.06573	0.4
99.04551	0.3
108.79900	0.3
109.06514	0.4
109.53778	0.3
113.06101	0.5
125.02416	0.6
169.01430	0.7
173.13344	1.1
187.88905	0.3
200.74416	0.3
209.11867	0.3
249.86646	0.3
274.97433	0.3
298.06396	0.4
300.99811	0.7
355.26016	0.4
357.28012	0.5
359.27579	0.7
363.26883	0.6
375.30606	1.5
377.28766	0.5
379.30032	1.3
389.28558	0.7
391.30081	0.7
393.27689	0.4
405.31815	0.4
407.29599	3.2
409.31116	7.2
410.31360	0.6
413.30637	0.5
421.31085	1.3
423.28400	0.4
423.33301	0.5
437.30411	0.8
438.30768	0.4
439.32153	5.3
441.33783	1.2
449.57678	0.3
453.30048	2.9
455.31610	3.6
457.33606	1.6
467.31567	5.0
468.31985	0.5
471.31091	1.8
473.33026	0.4
483.31433	2.4
485.32697	69.5
486.26303	0.2
486.33099	6.4
487.34229	2.6
499.30725	2.7
500.30902	1.1
501.32208	100.0
502.32501	8.1
743.72961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.6619
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18136	0.7
69.18564	0.4
70.12711	0.1
71.05013	0.2
109.72595	0.1
158.43994	0.1
277.21625	0.7
296.67911	0.1
427.36105	0.2
469.33270	2.3
470.33630	3.7
471.34787	100.0
472.35135	9.0
472.42041	0.3
510.03741	0.1
515.86414	0.1
523.89789	0.1
734.79596	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	985.6618
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86642	0.1
70.86948	0.1
71.01399	0.1
71.05030	0.1
80.40723	0.1
101.02454	0.1
180.03864	0.1
205.16133	0.1
253.09360	0.3
277.21710	2.7
278.21988	0.2
389.28174	0.1
391.30081	0.1
393.31476	0.1
407.28500	0.1
407.33298	0.8
423.32809	0.2
425.34229	0.3
427.35992	0.1
439.32043	0.1
441.33731	0.1
451.32007	0.1
453.33664	0.7
469.33395	0.1
470.33780	0.1
471.34760	100.0
472.35117	8.8
502.65988	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	983.173
Annotation	Unknow
Peak:m/z	Relative Intensity
74.39249	0.3
83.01380	0.8
89.99790	0.3
92.27013	0.3
107.01402	1.9
108.02172	1.1
109.02950	1.0
121.02953	1.1
125.02485	0.5
135.00882	0.5
148.01711	0.9
151.00365	7.6
162.30125	0.3
163.00371	1.7
164.01082	0.6
169.01468	0.6
178.99864	3.6
183.04501	0.4
187.03966	0.4
191.52065	0.3
199.04053	0.6
203.03462	0.4
211.03957	0.6
216.04289	0.5
226.02742	1.2
227.03488	1.5
243.02975	7.3
245.04539	0.6
254.02309	1.4
255.02975	19.7
256.03342	1.3
271.02460	41.2
272.02997	2.7
273.04013	0.7
283.02472	0.8
290.58325	0.3
299.02017	0.9
300.02710	81.5
300.99911	1.9
301.03439	27.1
302.00449	0.4
302.03854	0.9
433.03333	1.6
463.08743	1.9
505.09848	100.0
506.10193	7.1
537.79535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	2.5
69.38734	1.0
69.39156	2.0
71.01382	14.4
71.05042	0.4
72.99306	1.4
73.02943	2.2
78.95942	0.4
81.03454	0.6
83.01390	1.8
84.02179	0.4
85.02951	9.5
85.06577	0.5
87.00880	3.4
87.04490	0.4
88.10258	0.4
89.02444	12.4
93.03490	0.5
95.01384	1.2
96.96008	0.8
97.02953	3.7
97.06607	2.1
99.00880	1.1
101.02440	10.6
111.00863	0.4
113.02444	5.8
117.36457	0.4
119.03500	3.3
123.00895	0.4
125.02441	4.5
125.09703	0.9
127.11302	1.2
131.03506	0.6
137.09705	1.7
139.04004	0.6
141.01901	0.4
143.03482	1.7
151.60030	0.4
155.10747	0.5
161.04611	1.9
171.10260	19.6
177.12794	0.4
179.05629	2.9
183.13873	5.1
191.05588	0.6
195.13901	0.7
197.11778	0.5
201.11337	0.8
206.74396	0.4
209.11801	0.9
211.13387	9.2
221.06720	0.9
221.11867	1.1
229.14407	4.5
235.08215	4.7
239.12889	0.9
251.16510	0.9
253.09317	1.1
263.07736	0.5
277.21713	28.1
278.22134	1.2
287.07642	1.0
291.19684	3.3
305.08749	1.4
307.62997	0.4
309.20691	8.6
323.09933	1.0
327.21750	100.0
328.22034	5.9
379.12366	0.6
397.13480	44.7
398.14014	1.9
414.47729	0.4
415.14554	15.2
416.15094	0.8
549.25543	0.4
587.42639	1.8
641.93207	0.4
675.36188	2.4
676.37537	0.5
707.34924	4.5
708.35791	0.6
725.36169	3.0
985.58032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.7034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25245	0.5
71.01353	0.6
71.05029	5.6
71.53136	1.0
72.81338	0.5
83.05012	1.2
85.06587	1.5
87.04503	0.9
96.96016	2.6
113.02512	0.5
117.03442	0.6
125.02460	1.5
128.65041	0.6
137.02367	0.5
145.02914	2.0
153.05902	0.6
161.02361	0.8
169.01357	1.2
181.97539	0.5
205.15953	2.5
209.11920	0.7
236.26312	0.7
283.13419	0.7
300.99875	2.0
323.23828	0.9
355.26379	0.8
377.88721	0.6
393.28070	1.1
395.29630	1.1
407.33588	0.7
409.31009	1.5
411.32855	2.9
423.32773	1.3
425.34290	16.9
426.34482	1.5
439.32178	3.1
440.32770	0.9
441.33810	12.8
442.34171	2.5
443.35281	49.0
444.35699	3.8
455.31937	1.0
457.33081	1.7
459.34625	1.1
461.36057	1.1
473.33075	1.2
475.34564	11.8
476.34570	1.0
477.21310	2.4
485.32520	4.3
486.33063	2.4
487.34296	26.3
488.34674	2.6
503.33673	5.7
504.33963	2.5
505.35330	100.0
506.35596	10.5
897.52826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34714	1.3
69.35108	2.0
93.03455	1.0
98.19917	0.8
106.82366	0.4
107.01379	2.0
108.02169	0.6
113.65085	0.4
132.02174	0.6
135.00842	1.7
137.02390	0.5
143.05029	0.5
143.87132	0.5
151.00357	3.1
159.04539	0.7
163.00330	2.7
164.01181	0.7
178.99828	1.0
185.06035	1.3
187.03979	1.7
195.04401	0.8
199.03984	1.0
211.03947	1.9
213.05544	1.1
227.03491	19.9
228.03946	0.8
229.05023	6.5
239.03450	0.9
241.05107	1.3
243.02977	1.3
255.02969	46.9
256.03571	3.9
257.04526	4.7
271.02475	7.5
284.03241	63.5
285.04010	69.7
286.04318	2.9
300.02734	10.9
301.03506	6.8
302.03583	0.6
334.67087	0.5
447.09280	12.1
448.09726	0.9
489.10352	100.0
490.10690	7.5
611.60577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.7033
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21420	3.0
69.81444	0.3
71.01363	0.4
71.05018	7.9
77.87635	0.3
83.05000	1.2
85.06535	1.0
85.68323	0.3
96.96003	2.5
97.06564	1.1
119.64718	0.3
137.09680	0.5
161.02464	0.3
185.13356	0.4
205.15965	5.2
206.16269	0.5
237.39755	0.3
301.00055	0.4
307.20602	0.6
321.22214	1.0
323.23587	0.5
325.21658	0.4
335.23788	0.4
337.25339	1.9
339.26843	1.4
351.26953	1.3
355.26556	1.5
369.28018	2.6
379.29950	1.8
387.30408	0.6
389.26993	0.4
391.26294	0.9
393.27835	1.3
394.27319	0.3
397.31226	0.5
399.25211	0.6
401.27167	0.4
405.32095	0.5
407.29416	1.8
409.31274	2.0
410.31705	0.4
413.27039	0.7
419.29419	0.7
421.31213	1.2
423.32715	18.6
424.33044	2.2
425.30710	0.5
437.30548	2.1
439.32205	6.2
440.32648	0.5
441.33698	100.0
442.34027	9.9
443.34402	1.3
455.31641	5.3
458.33478	0.4
459.34500	1.8
467.31436	1.6
473.32663	8.8
474.33206	0.8
477.28659	1.1
485.32706	59.3
486.33066	6.7
487.33823	1.9
489.32507	0.6
501.32327	0.5
502.32648	0.5
503.33765	39.3
504.34067	3.6
505.34854	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	979.6876
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36400	3.5
71.01408	0.7
71.05024	1.1
75.00874	2.7
83.20518	0.4
87.04495	0.5
88.98811	0.5
103.00362	4.1
122.03716	0.6
123.00879	0.4
125.02460	0.9
147.13069	0.7
149.02426	1.0
150.03249	2.7
165.05550	2.0
166.02646	0.6
181.04987	0.4
182.14282	0.4
189.05421	0.4
195.06604	0.9
209.11772	0.8
210.12315	0.5
249.07693	0.7
300.99948	1.3
342.10876	0.4
409.31094	0.7
417.15530	1.5
419.29559	0.5
421.31149	5.0
422.31259	1.2
439.31992	1.8
441.33847	2.1
443.30881	1.0
445.37042	1.0
457.33182	0.8
471.31314	1.1
473.32370	0.8
475.34921	1.0
485.32806	10.2
486.33133	1.7
487.34470	3.4
489.36298	9.8
490.36691	0.9
501.32410	2.6
502.32684	1.7
503.33792	100.0
504.34158	12.7
505.34335	1.9
565.20874	1.5
688.16827	0.5
913.01453	0.5
979.49353	0.5
993.76917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27821	2.6
69.28217	0.6
92.82460	0.3
93.03438	0.6
107.01367	1.8
108.02182	0.6
109.02943	0.8
121.02942	0.9
132.02174	0.8
135.00877	1.1
139.67291	0.3
151.00374	5.1
153.01904	0.4
163.00418	1.9
164.01147	0.4
171.04492	0.3
178.99841	1.9
185.06064	0.4
187.03915	0.8
190.99886	0.4
199.03885	0.6
201.05545	0.6
211.03952	1.8
213.05556	0.8
227.03482	16.7
228.03857	1.0
229.05000	3.0
239.03526	0.8
241.05092	0.5
243.02939	1.9
245.04350	0.5
255.02972	44.3
256.03534	3.4
257.04523	1.8
267.02893	0.5
271.02475	11.1
283.02411	1.0
284.03244	73.8
285.03973	23.8
286.04401	0.8
300.02725	18.0
301.03503	12.0
302.03867	0.9
327.04974	0.5
447.09311	26.2
448.09509	2.2
489.10352	100.0
490.10724	7.7
712.18195	0.3
715.41705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.6842
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22544	2.6
69.49633	0.2
71.05022	0.7
77.66406	0.2
87.88641	0.2
96.96007	0.3
106.18999	0.2
116.92825	0.3
120.87669	0.2
125.02410	0.7
167.25504	0.2
169.01381	0.5
194.87167	0.2
299.99414	0.3
300.99872	1.4
323.92224	0.3
352.93741	0.3
377.28491	0.5
407.28976	0.3
407.33728	0.3
409.31128	0.6
423.32623	1.8
425.34583	1.2
426.34760	0.3
427.32321	0.3
439.32251	1.3
440.32556	0.6
441.33798	0.5
443.35083	0.6
457.33276	1.6
467.31772	0.5
469.33197	6.8
469.39810	0.4
470.33426	1.0
473.33005	0.3
485.32693	2.0
486.33014	1.5
487.34271	100.0
488.34586	15.2
489.35492	11.9
490.36087	8.2
491.36414	3.7
501.32117	0.4
503.33569	0.8
505.35437	3.0
506.35678	0.4
620.62701	0.3
979.66943	0.3
995.18964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.6858
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97894	0.4
70.39563	0.8
71.05002	0.6
78.95874	0.4
83.05044	0.5
119.00621	0.4
125.02372	0.6
179.69067	0.5
187.32837	0.4
207.13812	1.2
228.20627	0.5
247.02377	0.5
250.29753	0.4
272.66141	0.4
300.99768	1.0
347.25809	0.5
393.31491	0.6
406.61707	0.5
423.32822	2.3
424.32803	0.7
425.34183	1.2
427.32556	1.1
439.32092	0.7
441.33469	1.2
443.35388	0.6
457.33530	0.5
467.31616	1.0
469.33200	12.7
470.33606	2.6
471.33807	1.6
472.33997	0.8
473.33035	3.4
474.32657	0.6
485.32681	1.1
486.33032	0.8
487.34262	100.0
488.34628	22.0
489.34998	11.3
490.35233	5.7
491.33881	17.9
492.34299	1.9
502.32843	0.8
503.33545	3.7
979.66003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.6873
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05025	1.1
79.25688	0.1
83.05013	0.2
97.06630	0.2
107.64170	0.2
109.06610	0.3
115.09408	0.2
119.58047	0.2
156.09370	0.2
169.01387	0.2
174.50787	0.1
187.16533	0.1
251.96823	0.2
357.25787	0.2
358.26364	0.2
359.27502	0.2
387.29611	0.2
389.28671	0.8
390.28906	0.2
391.25916	0.2
391.30286	0.3
393.31564	0.4
405.27795	0.2
406.28519	0.2
407.29541	1.7
409.31100	0.5
419.29449	0.5
421.30954	0.5
423.32544	0.6
423.97040	0.2
425.30536	0.5
439.32333	0.8
440.32306	0.2
441.33875	1.4
442.34180	0.2
443.31564	1.7
444.31964	0.2
453.30374	0.3
453.40005	0.2
455.31561	0.3
457.33237	3.7
458.33545	3.1
459.34332	2.8
460.34894	0.4
467.31705	0.3
473.32721	0.9
475.30588	0.2
485.32748	7.5
486.32907	0.8
487.34393	6.3
488.34869	1.0
489.31848	1.1
490.32669	1.4
491.32861	0.6
501.32300	0.9
502.32458	1.7
503.33768	100.0
504.34097	10.1
505.34708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.7085
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30435	0.9
71.05019	1.1
77.35739	0.1
78.95929	0.1
102.35378	0.1
125.02457	0.2
145.02866	0.1
169.01453	0.2
224.11943	0.1
300.99896	0.5
302.00073	0.1
408.33572	0.2
409.34778	0.7
411.32849	0.7
412.32990	0.1
413.34225	4.0
414.34744	0.3
441.33951	0.1
455.31372	0.2
457.33087	0.2
469.33170	0.3
471.34894	0.8
472.35449	1.3
473.36353	100.0
474.36697	10.0
475.37036	0.4
485.32736	0.8
486.32996	0.2
487.33920	0.6
488.34341	0.2
501.32590	0.2
503.33865	0.4
798.74213	0.1
977.71234	1.0
978.72168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6729
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98627	0.5
71.01376	0.5
71.05020	1.3
71.53018	0.4
71.53415	0.5
73.02948	0.5
78.95900	0.6
92.47940	0.4
96.26189	0.4
97.06560	0.5
101.02486	0.4
109.02930	0.6
109.06573	1.5
125.02414	1.7
137.02458	3.2
148.90041	0.5
149.02411	0.8
150.03214	1.1
161.02455	0.5
164.01131	0.4
165.01904	2.3
169.01434	0.5
209.11813	2.1
211.13394	1.7
225.14894	0.5
287.05560	1.6
288.06274	1.0
300.99823	1.4
341.24042	0.7
359.25980	1.0
362.34039	0.5
371.26059	1.3
377.28574	0.7
387.25607	0.6
389.28522	0.9
391.30173	0.8
393.31650	1.0
403.30563	0.5
407.29468	1.9
409.31134	1.1
421.31241	1.0
423.32706	1.9
425.34039	1.3
437.30573	0.5
439.32053	1.3
441.33725	1.5
453.30145	0.9
457.33160	4.4
461.32944	0.9
469.33228	1.1
471.31116	0.5
473.33313	3.1
474.33029	0.5
475.30273	0.8
478.75391	0.6
483.31128	5.3
484.31393	0.8
485.32626	2.0
487.34488	14.4
488.35065	2.1
489.32404	1.6
499.30609	0.6
501.32208	100.0
502.32626	10.9
503.33734	33.1
504.34039	3.2
505.34860	1.4
726.83887	0.5
945.42627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6715
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26108	2.4
71.01402	0.3
71.05021	1.2
73.02934	0.3
83.05022	0.6
84.13403	0.2
94.79604	0.2
98.20634	0.6
112.69384	0.2
134.58372	0.2
137.09669	0.3
141.19283	0.2
161.20886	0.3
189.12802	0.3
209.11836	1.2
301.00156	0.3
304.76852	0.3
309.20822	0.6
325.49368	0.3
337.25027	0.4
357.25775	0.6
363.26907	0.4
377.28476	0.5
379.30225	0.4
387.26843	1.1
389.28726	0.4
391.30231	0.7
393.31903	1.4
395.29486	0.3
397.31073	0.9
401.28424	1.5
403.30450	1.2
405.27798	0.6
407.29669	0.6
409.31088	1.0
411.32712	0.5
417.28232	1.1
419.29504	1.3
421.31110	6.8
422.31482	0.8
423.28943	0.8
425.34195	1.2
435.28732	0.3
437.30450	1.3
439.32205	3.8
440.32352	0.4
441.29092	0.4
441.33807	1.0
443.35364	2.6
444.35577	0.9
447.28946	0.4
453.30002	0.9
455.25504	0.5
455.31577	3.9
456.32169	0.4
457.33368	2.9
458.33426	0.6
465.30099	1.5
471.31168	1.2
473.33142	0.4
475.34500	4.7
476.34662	1.1
477.34824	0.4
483.31000	2.2
485.32901	1.4
486.33664	0.3
487.34570	1.5
489.32220	15.7
490.32758	1.5
500.31433	0.3
501.32199	100.0
502.25146	0.5
502.32523	9.1
503.33710	9.7
504.34283	0.8
505.34720	0.5
519.33295	0.4
533.30914	1.4
780.08569	0.3
1004.80756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6928
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24370	0.1
70.84732	0.3
71.05015	0.6
73.37028	0.1
77.80315	0.1
83.05021	0.1
94.38353	0.1
96.55064	0.1
119.80980	0.1
137.09706	0.1
173.40941	0.1
205.15987	0.2
211.67416	0.1
229.80811	0.1
264.69122	0.1
264.71985	0.1
371.29440	0.3
391.30145	0.1
393.32001	0.2
405.31705	0.3
407.33298	0.9
423.32767	0.6
425.34399	1.1
427.32095	1.1
437.30661	0.2
439.31931	0.3
443.35199	0.9
451.32492	0.1
455.32101	0.2
457.33087	0.1
467.31866	0.2
469.33191	11.2
470.33530	0.8
485.32578	0.2
486.33005	0.3
487.34250	100.0
488.34616	9.0
489.35080	0.1
513.31885	0.3
656.15936	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	976.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84221	100.0
95.85751	35.1
108.89169	34.2
162.69765	36.1
192.14291	35.0
208.87466	39.5
379.12686	39.8
677.52472	43.2
891.17786	41.9
998.86890	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	977.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61009	1.2
69.61414	3.6
83.01387	1.5
85.97517	0.7
86.80735	0.8
93.03458	1.1
97.81379	0.7
98.19987	1.5
106.39050	0.8
108.02182	1.8
109.02943	2.2
121.02966	1.0
124.01643	1.2
125.02444	17.6
128.63315	0.8
135.04518	1.2
137.02426	1.4
147.00882	2.9
151.00395	1.8
161.02425	1.8
163.00354	2.3
174.03137	1.2
175.03973	1.3
177.01979	0.9
183.04538	1.5
185.05931	1.3
187.03970	1.0
191.05626	1.2
197.06075	1.1
199.03973	1.7
210.03152	1.9
211.03989	4.3
211.07626	0.8
213.01807	0.8
213.05502	1.7
217.04929	1.0
224.04849	0.8
227.03474	37.9
228.04028	1.5
229.05005	5.0
239.03416	2.3
239.07138	3.1
240.04230	1.5
241.05087	1.8
243.03116	0.9
255.02972	53.1
256.03638	6.6
257.04483	4.7
257.08160	1.5
267.02997	1.9
268.03729	2.4
269.04514	1.4
283.02478	1.8
284.03241	69.6
285.04013	67.7
285.06598	0.7
286.04367	3.3
300.99774	1.5
321.07925	1.0
327.05087	1.1
336.06415	2.1
365.10281	26.0
366.10458	1.9
382.10446	2.9
383.11359	10.0
419.13333	2.9
431.09787	100.0
432.10135	7.8
447.09280	30.6
448.09732	3.6
482.71063	0.9
545.16742	8.8
961.40356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6939
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27107	0.1
71.01361	0.2
71.05025	1.7
77.33755	0.2
77.91196	0.1
83.04997	0.2
85.02971	0.2
85.06600	0.1
97.06586	0.7
98.20709	0.3
205.15990	0.5
300.99933	0.4
305.21207	0.2
321.22260	0.2
337.25424	0.3
338.25909	0.2
339.27026	0.2
355.26309	0.3
377.28531	0.5
379.29886	0.2
391.30136	0.2
393.31686	1.0
406.32855	0.2
407.29562	0.5
408.29910	0.1
409.31131	0.3
410.31534	0.2
423.27475	0.3
423.32693	2.7
424.32938	1.0
425.33578	0.5
427.31940	0.3
437.30573	0.6
438.30884	0.4
439.32233	1.5
440.32700	0.7
441.33719	5.7
442.34061	3.6
443.34604	2.0
453.30591	0.2
455.31705	1.6
456.32019	1.0
457.32745	0.6
471.31390	1.8
472.31693	0.3
473.32721	8.4
474.33093	5.0
475.33401	2.7
483.31152	0.6
484.31622	0.2
485.32715	3.1
486.33060	1.8
487.34293	100.0
488.34631	12.8
489.35211	3.2
499.30914	0.3
501.32324	1.2
502.32574	0.3
503.33951	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	975.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	0.2
87.00845	0.6
88.00417	1.4
88.98806	100.0
89.02437	2.0
89.99126	0.6
91.86848	0.3
97.81032	0.2
98.19845	0.4
101.02475	0.3
111.52699	0.2
118.59647	0.2
120.46889	0.2
125.02433	0.3
133.02933	0.3
133.52199	0.2
155.19545	0.2
158.46565	0.2
165.82465	0.2
165.91780	0.2
175.79160	0.2
176.41171	0.2
180.00145	0.2
209.11807	1.8
227.12892	0.3
277.21719	0.8
397.13461	0.7
471.34943	1.7
472.35260	0.7
981.66669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62965	0.2
87.00883	1.0
88.00404	1.5
88.98803	100.0
89.02441	3.8
89.99133	0.5
98.20669	0.6
101.02423	0.4
177.01888	0.3
177.75009	0.2
179.05505	0.2
209.11877	1.7
227.12856	0.5
259.25378	0.3
277.21716	1.2
397.13379	1.5
456.91638	0.2
471.34753	0.7
544.34412	0.2
549.63556	0.2
617.40564	0.3
699.49902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6936
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01054	0.2
71.04930	2.0
75.98070	0.2
85.30982	0.2
97.00700	0.2
98.20749	0.5
103.30225	0.2
116.52621	0.2
117.16209	0.2
300.99646	0.3
355.26160	0.5
369.27933	0.5
371.29462	0.4
379.30417	0.3
381.31573	0.4
389.27161	0.3
411.32745	0.6
423.32571	0.5
425.34128	0.8
437.30789	0.2
439.32263	0.3
441.33768	0.3
442.34201	0.3
443.35318	4.1
455.31659	0.4
457.33176	61.6
458.33521	6.3
459.33987	0.7
469.32980	0.9
473.32693	3.5
474.32959	0.6
483.30899	0.3
485.32727	1.6
486.32953	0.8
487.34256	100.0
488.34619	10.5
488.41742	0.5
489.34909	0.9
499.30780	0.4
501.32248	1.2
503.33954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6766
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87289	3.8
71.05008	0.8
78.95924	1.1
109.88699	0.9
112.01772	0.8
131.37303	0.7
266.26270	0.8
266.61987	0.8
286.45514	0.7
293.62717	0.7
314.84116	0.7
423.33090	0.8
439.32095	2.4
441.33228	1.0
455.31464	1.4
467.31638	7.8
468.31552	0.8
471.34787	100.0
472.35117	11.0
483.30862	1.3
484.30994	0.8
485.32724	18.5
486.32895	1.3
487.33994	1.6
501.32010	12.3
593.92303	0.8
649.59003	0.9
973.66504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6773
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05019	2.1
71.53153	0.8
71.53499	0.7
82.88236	0.8
83.05007	0.8
83.12076	0.8
116.92929	1.2
125.02438	1.5
137.02493	0.7
169.01456	0.8
300.99966	1.6
375.30728	1.1
387.30493	1.5
389.28461	2.2
393.31754	0.7
401.84079	0.9
405.31717	1.2
407.29553	2.1
409.31348	1.0
421.31256	1.3
423.32874	5.1
424.32846	1.8
427.32040	1.4
437.30118	1.3
439.32327	1.7
441.33771	26.3
442.34097	3.6
443.34384	1.0
455.31631	4.2
467.31616	7.0
468.31747	1.3
469.33212	30.8
470.33636	7.1
471.33490	2.6
473.32684	2.4
485.32727	85.1
486.33090	15.2
487.34296	100.0
488.34604	29.3
489.35477	16.4
490.35144	0.9
499.30637	1.1
501.32117	3.0
973.45813	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	973.6768
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95229	1.1
69.95659	0.6
71.05024	7.6
83.05015	0.9
97.06616	1.6
97.07136	0.3
97.72729	0.4
130.62524	0.3
135.24785	0.3
183.88057	0.3
185.69312	0.3
339.27130	0.4
353.28427	1.1
355.26428	1.4
369.28003	1.1
371.29572	5.4
389.27078	1.0
393.31735	0.4
399.25067	0.3
407.29523	0.9
409.31226	0.4
415.28311	1.9
425.34787	0.5
441.33737	1.1
443.35281	27.3
444.35568	3.1
457.33252	14.2
457.38760	0.3
458.33658	1.5
467.31613	5.4
468.31799	1.0
469.33060	0.7
473.32635	0.5
485.32721	54.3
486.25940	0.7
486.33066	14.3
487.34250	100.0
488.34613	9.1
499.30463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6769
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24261	0.4
69.30753	3.8
69.31165	0.8
71.05023	9.9
73.03029	0.5
76.98851	0.7
83.05072	1.1
85.02996	0.6
85.06632	1.3
94.01053	0.5
97.06654	2.3
107.95586	0.5
115.32661	0.5
123.08227	0.8
129.33351	0.5
199.86754	0.5
205.15919	3.9
234.09950	0.6
300.99927	0.7
305.21332	1.7
321.22211	2.2
323.23370	0.8
337.25534	2.5
339.26923	1.3
351.27054	1.2
355.26508	1.6
357.24423	0.7
367.26407	1.5
369.27991	1.1
377.28204	0.7
379.30118	2.3
391.26389	0.9
393.31989	0.9
395.29654	0.7
397.30945	1.8
405.31818	0.7
407.29364	2.4
408.30005	1.0
409.31244	1.8
419.29568	0.7
421.27185	1.1
423.32690	16.3
423.38028	1.1
424.33044	4.0
425.30408	0.7
425.34241	0.6
429.29785	0.6
437.30533	3.9
438.30817	1.0
439.32187	17.0
440.32526	3.6
441.33722	74.0
442.34128	14.6
443.34311	3.7
453.30664	0.6
455.31671	15.8
456.31927	3.7
457.32404	1.5
459.34683	0.6
460.94513	0.6
473.32693	100.0
474.33044	18.8
474.39688	1.1
475.33334	6.0
483.31372	4.3
484.31421	1.0
485.32700	21.9
486.32938	4.2
487.34302	93.8
488.34787	8.0
501.31866	0.6
517.31915	0.8
656.76965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88810	1.0
71.29698	1.8
75.00884	2.7
82.59655	1.0
85.71782	1.1
89.83632	1.1
93.03437	1.8
107.01362	1.3
117.01959	2.3
119.04990	2.0
121.02954	7.3
122.03746	9.4
123.04530	6.6
124.01644	1.7
133.02971	1.5
134.03693	2.3
135.02974	5.1
135.04501	4.8
136.05309	11.8
149.02426	14.8
149.06023	1.6
150.03230	72.4
151.00365	4.3
151.04024	21.6
151.07634	1.1
161.02449	1.4
163.00375	1.2
164.04739	4.4
165.05569	87.1
166.05891	1.6
169.01456	2.1
178.99786	1.6
180.04243	6.6
181.05066	14.0
195.06627	57.7
196.06926	2.3
199.46474	1.0
205.48653	1.2
243.02956	2.6
255.02946	8.5
257.04639	5.9
271.02469	16.7
272.02756	1.8
289.01962	1.1
299.99384	1.4
300.02716	29.4
301.00061	1.6
301.03455	19.9
302.03656	1.3
311.09210	7.1
312.08670	1.2
343.11755	15.0
373.13144	2.0
391.13980	90.2
392.14493	5.5
463.08820	27.6
464.08960	1.7
509.16650	100.0
510.17053	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	973.6772
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70816	2.7
71.01379	1.0
71.05012	3.2
78.95914	0.6
79.95742	0.4
83.05024	1.3
90.55452	0.4
95.18507	0.4
96.96015	0.5
97.06574	1.1
98.19916	0.9
109.06588	4.4
109.22318	0.4
116.92860	1.6
122.25172	0.4
125.02440	2.8
125.34969	0.4
130.77673	0.4
135.08064	0.4
151.03978	0.6
169.01448	0.9
170.14534	0.4
180.15723	0.4
205.15869	0.8
209.11899	0.7
227.03285	0.5
231.17570	0.7
249.18573	1.6
255.23395	0.6
265.18085	0.7
267.19647	2.3
277.21738	0.6
284.70673	0.5
289.07315	0.6
300.99811	2.0
301.99994	0.4
305.21310	0.8
374.90579	0.5
375.26721	0.7
385.27567	1.4
389.28473	0.8
391.30191	1.1
393.31635	2.3
397.13571	0.6
402.28537	0.5
403.29730	0.7
405.26712	0.7
405.31625	7.5
405.36404	0.6
406.31961	1.3
407.32996	0.5
409.27072	0.6
419.29688	0.7
419.91046	0.4
421.31180	5.1
422.31369	1.0
423.32721	24.2
424.33160	4.6
425.33722	1.9
427.32111	1.1
437.30688	3.5
438.30942	1.1
439.32135	15.9
440.32550	3.0
441.33701	15.2
442.34201	2.5
443.34982	1.9
453.37045	0.4
455.31613	12.1
456.31943	2.4
457.32861	2.3
465.30112	0.8
467.31647	17.7
468.31924	3.2
469.33508	9.0
470.33597	0.8
471.31384	0.8
473.32599	2.0
474.32748	0.5
485.32724	93.2
486.33124	17.2
486.38525	0.4
487.34271	100.0
488.34622	12.6
489.35223	2.0
499.30771	3.6
500.31100	0.6
501.32358	2.7
702.41010	0.5
916.50378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18972	17.6
71.01392	13.4
87.00898	5.9
89.02448	9.4
101.02458	12.2
125.02450	5.6
127.79094	4.6
277.21716	100.0
278.22226	7.6
379.12296	15.0
397.13568	51.6
415.14615	12.6
971.55536	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	971.6611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55769	0.4
71.05022	8.8
71.23396	0.6
83.05021	1.0
85.06609	0.8
85.28891	0.4
87.04546	0.4
94.06138	0.4
97.06583	2.0
97.31831	0.4
99.18311	0.4
123.08198	0.9
135.08200	0.5
164.69215	0.4
205.15956	3.6
298.70834	0.5
301.00186	0.5
305.21259	1.5
321.22183	2.6
321.25504	0.6
323.23804	0.7
335.23856	0.5
337.21753	0.7
337.25452	2.1
339.26950	1.4
351.27032	0.7
353.25000	0.5
355.26349	2.1
357.24207	1.0
367.26248	1.8
369.27826	1.2
371.25671	0.5
379.30362	1.9
391.26523	1.2
393.28009	0.6
395.29626	0.7
397.31033	1.4
401.26855	0.6
405.31851	0.8
407.29605	3.0
409.31131	1.3
421.31522	0.8
421.37292	0.5
423.32700	20.8
424.33035	1.2
425.30768	0.8
427.28296	0.5
437.30548	4.1
438.30762	0.5
439.32172	17.1
440.32736	1.0
441.33710	68.8
442.34109	5.1
455.31653	16.0
456.32059	0.8
467.31238	0.5
473.32697	100.0
474.33090	7.3
483.31091	4.9
484.31442	0.6
485.32727	20.9
486.32983	1.7
487.34225	0.7
496.71957	0.5
517.31915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53016	1.2
76.93379	1.0
107.01392	2.4
109.02955	1.6
121.02937	1.9
125.02419	3.5
145.50790	1.0
151.00352	9.2
161.02480	2.2
163.00331	2.5
169.01405	1.6
173.04478	1.3
178.99850	4.4
203.20869	1.1
211.03902	1.1
227.03490	7.4
227.93761	1.1
237.09724	1.2
243.02951	3.4
245.04562	1.8
255.02974	18.7
256.03491	1.3
265.96124	0.9
270.99683	1.7
271.02469	22.9
272.02902	2.5
283.02338	1.5
284.03171	8.1
285.03952	4.0
300.02725	43.5
300.99960	2.7
301.03439	33.0
302.03754	1.8
422.61090	1.3
447.09302	100.0
448.09506	6.5
483.19260	1.3
550.35468	1.3
847.16461	1.0
861.67694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74701	100.0
105.60156	34.8
167.65791	31.9
203.05434	36.6
320.73013	36.3
549.25922	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02077	20.8
71.01366	9.9
80.65773	3.7
87.35256	4.3
89.02426	12.2
98.65625	3.8
101.02439	7.6
113.02446	8.6
117.72328	4.4
125.02454	5.0
211.84863	5.1
235.08203	9.0
277.21701	100.0
278.21948	5.6
302.63916	4.7
379.12433	15.4
397.13544	50.7
415.14597	11.2
657.34753	6.0
971.54083	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	967.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03480	0.5
71.01378	7.8
72.99324	0.4
73.02937	1.2
78.95893	0.5
81.03494	0.3
83.01378	0.5
85.02952	1.7
87.00881	2.1
89.02444	6.0
93.03457	0.4
95.01370	0.5
96.96008	0.3
97.02950	1.2
98.20734	0.6
99.00904	0.5
101.02447	5.3
111.08173	0.3
113.02460	3.3
119.03508	1.4
125.02435	2.2
131.03471	0.3
143.03497	0.9
149.04549	0.3
152.99457	0.3
161.04539	1.4
167.10725	0.3
169.01456	0.3
171.10246	0.6
179.05629	2.3
179.14383	0.8
195.13887	7.4
196.14458	0.5
205.12241	0.5
205.15994	0.6
211.13322	0.7
217.07030	0.3
221.06624	1.1
223.13379	5.4
223.15611	0.3
223.48344	0.2
224.13895	0.5
225.15047	0.3
228.13626	1.0
231.21121	0.6
235.08215	2.0
249.11089	1.0
251.16353	0.3
253.09358	0.4
256.13089	1.1
262.34528	0.3
265.21744	0.5
275.20142	5.1
276.20554	0.3
277.21619	1.0
287.08023	0.4
291.19751	0.7
293.21213	100.0
294.21527	5.8
305.08762	0.4
309.20651	1.0
323.10059	0.4
375.00909	0.3
379.12411	1.0
397.13474	16.7
398.13803	1.0
405.02634	0.3
410.80377	0.3
415.08923	0.5
415.14542	9.0
416.15057	0.4
543.04761	0.3
569.42133	1.3
641.61115	0.3
673.34418	1.1
691.35376	2.8
967.44781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
68.29611	0.5
69.03444	2.2
71.01381	22.3
71.05032	0.8
72.99297	1.7
73.02939	4.1
75.00865	0.9
78.95898	0.8
81.03439	0.9
83.01386	3.1
83.05047	0.6
85.02956	5.0
87.00874	5.9
87.04488	0.7
89.02440	18.3
95.01368	2.0
97.02945	4.9
97.06586	1.0
99.00858	0.9
101.02439	16.9
109.06596	0.7
111.04533	0.8
111.08160	6.3
113.02451	9.4
116.92839	0.7
119.03495	5.5
121.02876	0.6
125.02448	7.0
127.07645	1.1
131.03461	0.8
133.05070	0.8
138.47246	0.5
139.03999	1.1
141.01926	0.5
143.03497	2.7
149.04506	0.7
151.11266	0.7
153.12854	0.9
161.04559	4.3
167.03346	0.5
169.12326	4.0
171.10248	2.0
179.05598	6.2
181.12309	1.3
183.13855	1.0
186.86459	0.5
193.12372	0.9
195.13930	0.8
197.11819	35.6
198.12132	1.5
199.13356	1.9
209.15440	6.2
211.13374	6.1
221.06616	2.3
221.15375	1.2
223.17072	3.5
225.14972	5.6
227.12804	1.0
229.19600	0.7
233.15450	1.7
235.08223	6.7
244.14604	0.5
247.20596	0.7
251.16507	5.2
253.09239	1.4
255.23376	0.6
261.43671	0.5
263.20117	3.0
265.18051	0.9
273.18530	1.7
277.21707	55.0
278.22031	3.0
287.07663	1.5
291.19647	21.6
292.19925	1.1
305.08725	2.1
309.20694	100.0
310.21106	5.3
323.09973	1.6
379.12341	4.3
397.13489	51.1
398.13721	2.9
415.14569	19.1
416.14963	0.7
569.42279	0.6
675.36066	1.5
689.33856	1.7
707.34918	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	966.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54681	76.6
70.55022	38.8
81.07214	30.3
104.71734	34.3
125.02401	46.6
125.71093	37.6
129.09126	30.1
129.16060	32.5
169.01445	45.8
173.42645	30.2
209.11760	43.9
237.55421	32.2
275.01694	38.8
300.99832	100.0
836.55621	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35514	4.1
83.01370	0.6
92.94750	0.5
93.64343	0.5
98.21432	0.5
100.17484	0.5
107.01362	1.7
108.02197	0.9
109.02956	1.2
121.02924	1.0
135.00903	0.6
148.01685	0.8
151.00354	7.2
163.00360	1.4
164.61374	0.5
178.99850	2.8
181.43643	0.4
192.00381	0.6
211.03841	0.7
226.02817	0.7
227.03464	1.5
243.02936	5.4
245.04401	0.6
254.02187	1.5
255.02951	18.1
256.03345	1.0
271.02454	35.7
272.03052	2.9
273.03857	0.8
283.02383	0.9
299.01654	0.7
300.02719	76.5
301.03436	28.2
302.03870	1.3
393.60266	0.5
463.08966	1.8
505.09836	100.0
506.10193	7.4
665.57745	0.5
763.53516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6848
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	1.6
71.53374	0.6
71.75921	0.5
78.95906	6.6
79.95740	4.2
80.96529	5.0
96.96019	7.3
107.01311	0.6
109.06664	0.8
110.40519	0.5
118.08296	0.6
125.02439	0.8
128.93852	0.6
140.01120	0.9
196.03799	1.7
209.11734	2.7
228.00623	0.6
277.21716	1.7
279.20435	1.0
279.23288	14.5
280.23624	7.0
281.24002	0.8
300.99832	1.4
466.03278	0.8
471.34787	67.4
472.35162	9.0
473.35315	1.0
476.27774	13.1
477.28104	9.6
478.28506	1.1
965.44885	11.6
965.68347	100.0
966.45032	2.1
966.68561	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	965.6837
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39503	5.9
71.01385	1.1
71.25420	0.7
78.91872	3.3
78.95914	1.5
79.95740	5.1
80.96513	5.2
81.65691	0.8
86.83944	0.7
96.96013	10.2
98.19876	0.9
102.61855	0.8
145.01451	1.0
178.63701	0.8
183.01228	1.3
183.07396	0.7
209.11775	3.7
277.21802	4.4
300.99982	1.0
311.16888	5.2
471.34778	100.0
472.35031	8.7
473.35492	1.6
490.40207	0.9
919.98566	0.9
965.44843	15.3
965.68549	89.1
966.45245	2.9
966.68884	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	965.6847
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39062	1.8
71.01369	1.0
75.55725	0.6
77.09073	0.6
78.91887	1.1
78.95910	1.8
79.95744	6.8
80.90185	0.6
80.96506	8.0
96.96009	12.4
98.20016	0.6
101.02431	0.8
102.60065	0.6
118.13299	0.5
118.70085	0.6
126.90523	0.5
136.04012	0.5
145.43120	0.6
198.49255	0.6
209.11792	3.1
243.75099	0.6
268.62985	0.7
277.21744	3.5
394.32620	0.6
407.27866	0.6
471.34763	100.0
472.35089	11.0
473.35110	1.1
506.31152	0.6
532.35944	0.6
546.55188	0.6
965.44818	15.5
965.68585	86.7
966.45221	3.5
966.68915	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	965.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	7.3
71.53729	1.7
73.02942	1.4
78.95908	3.1
79.84007	1.3
79.95740	36.0
80.96516	42.3
83.01351	1.2
83.04990	1.4
85.02956	2.0
89.02441	4.7
95.95243	3.6
96.96016	68.0
99.00877	1.3
100.93019	1.2
101.02475	6.1
109.06593	3.2
112.98880	1.2
113.02482	2.4
125.02419	1.9
162.26244	1.2
163.11290	3.8
207.10234	5.6
209.11800	25.0
221.06767	1.7
225.11407	1.4
227.12831	2.1
271.46982	1.5
277.21738	12.0
300.99951	2.1
311.16821	1.7
414.06110	1.3
423.32294	1.6
469.33560	1.5
471.34778	99.5
472.35153	9.3
473.35056	1.7
485.92227	1.3
661.33551	1.5
785.16943	1.4
854.48303	1.3
964.66870	3.0
965.44128	100.0
965.68195	86.5
966.44379	13.0
966.68243	6.4
983.89459	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	965.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01415	0.3
71.53004	0.2
83.05025	0.5
83.22665	0.2
89.84439	0.2
111.08162	1.3
118.39382	0.2
121.02919	0.2
125.02509	0.3
157.42908	0.2
165.12842	21.8
166.13200	0.6
169.01466	0.2
173.23228	0.2
183.13893	90.4
184.14244	3.4
191.10764	0.2
209.11810	8.3
227.12878	100.0
228.13202	3.3
253.09384	0.2
282.21942	0.2
300.99826	0.3
445.20642	0.4
523.19574	0.2
637.32678	0.3
906.02484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	8.5
78.95481	8.6
78.95901	100.0
83.01346	6.7
89.02473	6.1
96.96950	8.7
100.19019	5.6
121.02932	16.7
124.14571	5.3
125.02453	11.2
133.40520	5.1
135.92992	6.0
137.02432	10.3
152.99573	83.6
165.01935	10.7
171.00620	11.5
209.04427	9.2
211.13345	21.5
212.13695	11.2
277.21689	15.9
307.18909	8.1
388.93228	5.9
397.13516	11.0
408.90775	5.9
534.69318	6.6
662.53931	6.5
704.78461	8.1
710.22552	7.6
825.40454	7.0
826.42517	40.8
964.45398	69.7
965.46106	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	964.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	7.5
71.53237	3.5
78.95904	100.0
78.96329	7.0
84.17664	3.4
89.02387	5.4
96.63968	4.0
96.96970	8.8
113.02406	4.3
119.03535	4.0
125.02441	9.7
137.02455	10.4
141.01675	3.8
146.03685	5.6
149.58356	3.3
150.03159	4.1
152.99597	67.3
153.99872	4.6
165.01906	7.5
171.00627	12.1
174.03242	3.4
203.86726	3.4
209.04477	4.8
211.13405	10.4
220.73270	3.6
271.13330	4.3
272.13791	4.2
277.21762	12.3
278.22098	5.6
312.89380	3.9
343.15686	5.7
351.45929	3.9
397.13458	12.5
634.11804	3.8
825.42670	5.8
826.42090	33.3
827.43469	5.9
964.45331	73.0
965.46021	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	964.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05020	1.1
71.53072	0.9
79.35547	1.1
123.41758	1.0
145.39720	1.0
179.87567	1.0
205.44272	1.1
218.60866	1.1
301.00000	1.2
352.03439	1.2
371.77579	1.2
469.33179	11.1
470.33566	10.1
471.33505	2.1
475.34088	1.6
487.34268	100.0
488.34634	76.7
488.40823	1.4
489.34930	25.2
490.35291	3.9
708.31061	1.5
742.65796	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	963.6925
Annotation	Unknow
Peak:m/z	Relative Intensity
67.78142	0.2
69.50167	1.2
71.05013	0.4
73.02961	0.2
94.45371	0.1
98.20688	0.2
100.23116	0.2
103.30118	0.1
125.02426	0.2
205.44829	0.2
219.38481	0.2
262.20847	0.2
300.99936	0.2
361.30606	0.2
377.28467	0.8
391.30307	0.4
393.31412	1.1
393.93484	0.2
403.29825	0.2
405.31873	0.2
407.33203	0.7
420.36591	0.2
421.31250	0.3
423.32693	3.3
424.33118	0.5
425.34229	2.0
427.32187	0.6
437.30676	0.4
439.32349	0.8
441.33725	1.1
443.35260	0.5
457.33252	0.7
467.31641	1.3
469.33145	9.6
470.33514	0.8
475.34540	0.3
485.32642	0.3
487.34259	100.0
488.34592	11.4
489.34946	0.8
595.25867	0.2
618.86517	0.2
619.00934	0.2
916.62164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6934
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29614	1.4
71.05011	0.2
73.02932	0.2
83.05023	0.9
97.06611	0.2
122.44786	0.2
150.64362	0.1
161.89182	0.2
200.16550	0.2
300.99930	0.3
377.28259	0.3
393.31781	0.9
395.29544	0.4
407.33670	0.3
409.31070	0.5
415.32327	0.3
423.32849	2.1
425.30527	0.6
425.34814	0.4
427.32220	1.3
439.32263	0.5
441.33768	1.8
443.30975	3.4
444.31512	0.3
457.33203	0.7
463.05338	0.2
469.33524	0.8
473.32263	0.2
487.34323	100.0
488.34695	9.3
489.34070	0.2
503.33804	0.5
884.40149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6932
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05023	4.4
73.02996	0.4
80.07245	0.4
83.05067	0.9
85.06585	2.7
97.06623	0.7
124.47559	0.4
130.80748	0.4
182.99901	0.4
205.15939	3.5
207.13913	0.4
229.64685	0.5
287.20383	0.5
301.00015	0.7
306.19855	0.5
307.20624	0.5
321.22318	1.4
323.23822	0.9
325.25421	2.6
337.25568	0.9
339.23148	0.8
339.27045	0.6
341.24945	0.4
343.26480	0.9
351.27591	0.5
355.26413	2.0
379.30014	1.1
387.25623	0.9
393.28119	1.5
395.29691	2.2
397.31018	4.0
399.12939	0.4
399.25635	0.6
399.32550	0.5
402.44162	0.5
409.31219	1.6
411.32855	1.5
413.30551	0.7
421.31216	1.2
423.32809	3.1
425.34299	23.8
426.34570	1.8
427.32245	0.9
429.30219	1.1
439.32138	6.1
440.32629	1.0
441.33963	20.2
442.34116	1.2
443.35300	55.4
444.35577	5.7
455.31744	1.3
457.33237	13.8
458.33569	1.2
459.31082	3.1
461.36325	0.5
469.33469	0.7
471.31122	1.0
473.32614	1.8
475.34271	100.0
476.34616	9.7
477.35101	0.9
483.31097	1.6
485.32645	8.6
486.33029	2.2
487.34406	31.4
488.34628	3.6
501.32208	4.1
502.32678	1.1
503.33801	6.8
504.34009	1.0
519.33197	4.8
564.34131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.6754
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05016	1.5
71.44974	0.8
76.27143	0.4
76.68117	0.4
78.95879	0.6
96.19893	0.5
102.11424	0.4
125.02412	0.6
136.38641	0.4
164.55736	0.4
168.89723	0.4
169.01416	0.5
216.61494	0.4
243.03177	0.4
300.99844	0.8
342.34729	0.5
377.28543	0.7
393.31757	0.8
401.46265	0.5
403.83002	0.5
421.31299	0.6
423.32724	2.1
425.30463	1.2
437.30591	1.2
439.32285	0.7
441.33676	1.2
467.31616	10.3
468.32019	2.1
469.32629	0.7
471.34756	0.6
475.34103	1.6
485.32709	100.0
486.33035	18.4
487.33670	10.4
488.33536	0.8
533.59814	0.5
967.95587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.675
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05019	3.0
79.75181	0.3
83.05022	3.1
83.53011	0.3
89.36977	0.3
95.07921	0.3
98.19836	0.7
125.02437	0.5
205.16092	0.4
209.11755	0.6
212.05714	0.4
300.99927	0.4
339.26810	0.8
355.26340	0.6
357.27844	1.1
371.29480	1.3
373.28824	0.4
405.31436	1.4
409.31134	1.0
413.30655	1.0
421.31473	0.8
423.32745	2.5
424.33124	0.5
437.30603	1.0
441.33566	0.9
443.35327	7.0
444.35492	0.6
455.31570	1.0
457.32974	0.7
467.31683	11.7
468.31989	2.8
469.32309	1.5
473.32944	5.2
474.33130	2.7
475.33679	1.2
485.32706	100.0
486.33069	28.3
487.34055	38.0
487.41727	0.7
488.34579	3.0
489.35788	1.7
501.32394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.6778
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60241	0.5
70.60423	0.4
71.05025	9.7
71.53132	0.8
76.98814	1.2
78.95899	0.6
83.05017	1.4
85.06589	0.9
87.04514	0.7
87.45602	0.6
96.98700	0.5
97.06598	2.1
109.90990	0.6
111.76262	0.5
116.64896	0.5
118.50234	0.5
125.02453	1.3
137.02467	1.0
162.39886	0.5
169.01404	0.5
187.14688	0.6
205.16005	3.9
297.34534	0.5
301.00003	1.2
304.83414	0.6
305.21219	1.2
307.20526	0.6
321.22220	2.3
321.25748	0.5
335.23718	0.7
337.25345	1.7
339.26938	1.4
351.23190	0.6
351.26892	1.4
353.25049	0.8
355.26395	1.4
357.24173	0.9
367.26376	1.2
369.28064	0.8
371.25977	2.4
379.29971	1.6
391.26346	1.2
393.27664	0.6
395.29572	0.6
397.31116	0.9
401.26816	0.7
407.29590	2.9
409.31171	2.1
413.31061	1.0
419.29437	0.7
421.31326	1.4
423.32709	18.5
424.33038	2.7
425.30582	0.8
429.30124	0.7
437.30865	4.4
438.30429	0.5
439.32236	14.8
440.32361	2.0
441.33731	59.6
442.34067	8.4
442.39749	1.0
443.34393	1.8
455.31696	16.1
456.31799	2.6
457.29715	1.9
459.34604	0.6
469.29343	0.6
471.31381	0.9
472.32056	0.6
473.32712	100.0
474.33081	16.2
475.33719	4.2
483.31192	5.3
484.31427	0.9
485.32748	39.4
486.33005	6.1
487.34290	64.6
488.34586	8.1
489.34839	0.9
503.33664	2.4
504.34042	0.8
517.31860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	1.6
71.01379	13.0
71.36003	1.1
72.99322	1.5
73.02943	2.1
78.85310	0.6
78.95898	1.4
83.01389	1.1
83.55687	0.7
85.02968	3.2
86.55782	0.6
87.00401	0.9
87.00858	3.4
89.02442	12.2
95.01415	0.9
96.96016	1.0
97.02955	2.1
98.81489	0.6
99.00851	0.8
101.02448	10.9
104.08221	0.7
108.04160	0.8
113.02458	7.0
119.03487	3.2
125.02415	4.0
129.95523	0.6
131.03439	0.8
137.05965	0.7
143.03415	1.4
148.47679	0.8
149.04514	0.7
161.04552	3.3
167.14444	0.8
179.05582	3.2
183.13873	7.2
193.12305	1.8
199.06190	0.9
211.13387	100.0
212.13721	3.9
217.07204	0.8
221.06662	1.3
235.08231	5.2
253.09174	0.8
277.21713	49.1
278.22098	2.9
287.07690	1.9
305.08719	2.2
305.39557	0.7
323.09882	1.4
327.21658	1.5
357.70184	0.8
379.12405	11.3
379.16919	1.0
397.13495	35.6
398.13815	2.7
415.14481	6.2
415.19406	1.1
445.16959	0.8
531.89398	0.7
591.26581	10.6
609.27533	9.4
610.27625	1.0
649.29724	0.9
657.34857	2.9
675.35376	3.2
780.66034	0.8
869.49316	2.8
957.49744	0.8
961.47473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.8
70.52821	2.4
71.01004	1.2
71.01382	14.3
72.57138	0.8
72.99286	0.9
73.02934	2.6
75.00858	1.0
76.44067	0.8
78.95915	2.0
79.95714	1.0
81.03481	1.0
83.01388	1.8
85.02953	4.5
86.83640	0.7
87.00867	3.1
88.31928	0.8
89.02444	11.7
96.95997	7.2
97.02944	2.2
98.20000	1.0
99.00890	0.9
101.02448	11.7
113.02456	7.2
119.03513	2.9
125.02437	5.5
143.03465	2.6
146.28110	0.8
157.41945	0.7
161.04568	2.0
179.05652	3.9
183.13893	6.6
193.12292	1.4
200.64146	0.8
209.64050	0.9
211.13387	100.0
212.13708	3.3
217.07173	1.4
221.06647	1.0
233.18599	0.8
235.08311	5.4
238.33171	0.8
259.08148	1.0
277.21704	54.9
278.22052	2.2
278.47806	0.8
287.07700	1.1
305.08612	1.4
323.09995	0.8
379.12393	11.4
397.13474	46.1
398.13736	2.9
415.14539	8.3
469.33084	4.7
574.81464	0.9
591.26495	6.2
609.27765	5.0
657.35358	2.6
675.35632	6.1
676.36847	1.0
869.50024	2.5
961.64923	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	959.697
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45051	0.5
72.99311	3.3
78.95901	0.6
94.69347	0.2
116.12064	0.2
183.81168	0.2
209.11827	0.5
217.32491	0.2
270.50220	0.2
277.21780	0.5
300.99857	0.4
423.32761	0.4
469.33270	0.5
470.33572	0.3
471.34766	100.0
472.35117	10.0
485.33115	0.3
486.32983	0.5
487.34500	1.5
864.73462	0.3
959.68243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6977
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52483	0.1
66.80595	0.1
98.20710	0.4
301.00018	0.2
344.59393	0.1
390.83603	0.1
407.33224	0.2
449.21225	0.2
469.33173	0.2
471.34760	100.0
472.35104	10.6
472.42126	0.2
487.34094	0.4
683.81158	0.1
959.68103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6596
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01353	0.9
71.05007	1.4
71.53906	0.8
85.21345	0.4
88.98791	0.7
107.02686	0.4
112.61484	0.4
116.92863	0.7
119.24101	0.4
125.02464	0.6
125.29144	0.4
169.01498	0.6
182.08661	0.4
275.02115	0.6
300.99799	1.1
369.27591	0.6
377.28336	0.6
393.31686	1.3
423.32663	1.5
425.30414	1.0
437.30780	1.0
439.32114	0.8
441.33487	1.0
455.31659	1.1
467.31628	11.4
468.31979	1.8
471.35544	2.3
472.35425	3.3
473.31467	1.9
473.35995	3.0
483.30563	0.6
485.32712	100.0
486.33023	16.9
487.33780	5.2
717.34259	0.5
868.19409	0.5
959.61682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6608
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75977	0.2
69.26185	1.9
71.05016	0.8
73.81963	0.2
76.43535	0.2
83.05026	2.7
96.96005	0.3
97.06616	0.2
98.20612	0.3
101.30606	0.2
114.97913	0.2
184.57564	0.2
267.09558	0.2
272.56134	0.2
339.27005	0.3
355.26224	0.6
357.27972	1.2
375.30679	0.5
379.30096	0.3
389.27521	0.5
393.31854	0.4
401.26987	0.6
405.31732	1.4
407.29721	0.7
409.31235	1.2
411.32648	0.5
413.30634	0.9
421.31207	0.3
423.32751	1.7
424.33136	0.3
425.30670	0.5
427.32193	0.5
437.30624	0.9
438.93192	0.2
441.33890	1.0
443.35391	0.6
453.30002	0.4
455.31686	1.6
467.31644	12.7
468.32141	1.4
471.31427	0.3
473.32813	11.5
474.33069	0.9
485.32709	100.0
486.33054	10.0
487.34167	2.9
511.30945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.661
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28213	0.2
70.28562	0.7
71.05019	0.9
74.32323	0.2
83.05032	2.7
96.96012	0.5
127.30235	0.2
168.33902	0.2
339.26831	0.6
355.26385	0.3
357.27939	0.9
369.27750	0.2
375.30765	0.3
389.27515	0.5
391.30307	0.3
401.27011	0.8
405.31863	1.1
407.29562	0.8
409.31024	1.4
410.31833	0.2
411.32785	0.6
413.30756	0.6
421.30951	0.7
423.32706	1.9
425.30594	0.6
437.30536	0.6
441.33691	0.8
443.35437	0.8
444.35950	0.2
453.29874	0.7
455.31766	1.4
467.31628	11.9
468.31830	1.4
471.31519	0.2
473.32748	12.2
474.32739	1.2
485.32709	100.0
486.33090	9.6
487.34198	3.8
511.30643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6606
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	0.5
71.05018	1.6
71.53390	0.6
78.95880	0.6
87.23685	0.5
96.76663	0.5
112.26984	0.4
125.02419	1.5
169.01434	0.8
226.13591	0.4
228.54810	0.4
244.56531	0.5
256.03165	0.5
277.21652	0.8
300.99762	1.4
391.30121	1.1
407.29361	0.8
409.30792	0.6
419.29605	0.5
423.32642	1.1
425.30582	1.8
437.30582	1.3
439.31891	0.7
441.33774	0.7
453.30060	1.2
455.31555	0.8
465.30212	0.6
467.31613	10.6
468.32071	0.6
471.30182	6.9
472.13232	0.5
472.31494	1.5
473.32492	1.0
483.31168	4.6
484.31229	2.5
485.32715	100.0
486.33084	10.2
487.33914	2.1
501.32367	0.6
503.33493	1.0
712.32727	0.5
879.37286	0.6
959.63800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.684
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	1.2
71.05027	1.6
71.53482	0.9
76.60304	0.7
78.95922	0.7
88.89329	0.7
96.96033	1.1
99.92581	1.2
101.02459	0.9
116.78932	0.7
116.92856	10.7
125.02448	1.3
152.79178	0.7
156.06766	0.7
169.01433	0.8
171.10283	2.5
178.42859	0.7
181.04744	0.7
201.11317	1.1
207.10368	0.8
225.11357	2.0
235.65706	0.8
277.21576	3.5
300.99857	1.9
364.38940	0.9
391.30222	1.1
393.31891	0.8
397.13617	1.5
405.31885	1.3
407.33325	3.1
415.14270	0.7
423.32886	1.2
425.30325	1.3
427.32086	1.2
437.30786	1.0
441.33798	1.5
451.32098	2.2
453.33902	8.6
454.34027	0.9
467.31696	9.9
468.32242	1.1
471.34882	100.0
472.35226	8.6
485.32706	90.9
486.33099	9.8
487.34021	1.2
585.41058	0.7
664.17029	0.9
854.43280	0.9
924.42200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
67.91001	51.7
69.02090	48.7
98.20744	100.0
163.02942	56.5
405.38245	57.0
406.60040	54.7
905.03870	58.4
930.29352	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.95988	3.1
71.01379	11.9
71.57349	3.0
81.03391	4.2
85.02941	4.3
87.00889	3.5
89.02457	15.3
97.02946	3.5
98.20651	7.4
101.02446	9.0
113.02448	6.2
116.92877	10.3
118.80064	3.7
119.03482	3.7
123.78072	3.5
125.02431	12.2
161.04533	7.1
169.01407	4.1
171.10252	4.9
172.38580	3.1
179.05605	5.4
197.11821	13.6
209.11821	98.0
209.13806	6.2
227.12790	24.5
229.07399	3.8
247.20523	3.8
291.19687	21.6
300.99792	11.9
309.20706	100.0
310.21048	7.0
332.32623	3.4
379.12445	7.8
397.13547	55.9
415.14630	17.9
477.32217	4.4
503.33780	11.2
589.24817	6.3
607.26019	10.6
689.34406	5.6
707.34814	9.5
885.77258	4.2
899.46088	5.5
953.44934	55.9
954.46094	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	954.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51691	46.6
86.97840	25.6
116.92860	100.0
131.74513	25.4
145.48238	27.8
154.47255	23.5
239.33810	25.8
411.82635	26.0
668.40558	28.9
708.10120	31.8
931.11682	32.0
934.87805	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	953.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	0.8
69.76566	0.8
71.01382	2.1
71.52304	1.0
72.92082	0.8
85.02971	1.2
95.01394	7.4
97.02943	1.4
99.00852	1.2
107.01400	2.7
109.02951	0.8
111.00886	2.0
113.02462	2.6
113.16995	0.8
117.03446	2.1
119.04971	0.9
121.02966	0.9
123.00879	13.0
123.86196	0.8
124.01677	1.6
125.02442	17.6
131.05042	1.2
133.02972	2.8
135.03029	0.9
135.04485	0.9
137.02432	1.2
138.03149	0.8
138.99385	0.9
139.00377	3.6
140.01183	1.7
143.11273	0.9
145.02977	6.6
147.04498	5.0
148.01613	1.2
149.02411	1.5
157.02940	3.3
159.04485	2.8
160.01755	0.8
161.02448	4.8
163.00438	1.1
163.04025	2.0
165.01933	1.3
166.99814	2.7
168.00677	2.0
169.01419	14.5
171.00888	2.0
172.01695	2.6
173.02466	6.7
174.03279	1.6
175.03984	5.9
177.01932	3.2
185.02419	4.0
187.03954	1.7
188.01077	1.0
189.01912	6.1
190.02699	4.6
191.03471	6.3
191.05086	0.7
192.00764	1.4
193.01414	1.5
199.00294	1.0
200.01074	3.9
201.01923	12.1
202.02702	1.5
203.03497	13.0
205.01366	1.8
209.00874	1.1
213.01927	2.8
214.02655	2.4
214.99783	1.0
215.03307	1.0
216.00685	1.5
217.01427	6.1
218.02153	3.2
219.03001	2.9
226.99846	2.5
228.00636	2.2
229.01419	18.1
230.02115	5.9
231.02959	22.7
232.03250	1.7
233.04512	1.2
242.99352	2.2
243.02759	1.1
244.00044	3.0
245.00911	10.2
246.01399	2.5
247.02441	14.2
248.03159	5.4
249.04024	20.3
250.04344	1.3
257.00919	13.1
258.01608	5.2
259.02460	1.1
261.00372	2.2
263.01990	1.2
270.98868	3.7
271.99628	2.3
273.00409	16.6
274.01175	14.3
275.01959	65.3
276.02243	3.2
283.99606	5.3
285.00519	4.6
285.03336	1.0
291.01385	2.2
298.98395	6.1
299.01263	1.1
299.99084	23.9
300.99872	100.0
302.00113	5.7
325.03400	1.1
361.80383	0.9
368.23001	0.9
399.03284	1.4
419.06287	1.4
425.01398	5.8
427.03125	1.4
445.03885	1.6
483.07529	1.4
587.06989	1.6
597.05292	2.6
613.04797	1.6
615.06378	1.1
631.05780	1.1
633.07452	7.3
755.07300	3.1
757.07336	1.0
765.05713	30.8
766.06281	14.0
767.06671	2.2
783.07074	4.7
784.07452	10.1
785.08362	29.6
786.08795	2.8
908.93030	1.5
909.10150	15.6
910.10120	2.0
935.08606	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	953.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78834	0.9
69.03451	1.3
69.28925	9.2
71.01379	1.3
95.01392	8.7
96.99356	1.1
97.02951	1.9
107.01389	3.7
111.00909	2.4
113.02431	2.8
119.05018	2.2
123.00872	15.7
124.01691	2.1
125.02451	22.4
129.03462	1.8
130.61143	1.2
133.02942	3.3
137.02393	1.4
139.00351	1.9
140.01083	1.3
145.02980	5.9
146.24719	1.0
147.04507	4.7
149.02402	2.7
157.02953	3.3
159.04439	2.4
161.02431	4.5
163.00395	1.3
163.03981	3.9
164.04796	1.2
165.01964	1.7
166.99846	3.1
168.00655	4.3
169.01425	15.8
169.02847	1.8
171.00868	1.8
172.01613	3.4
173.02467	7.1
174.03215	1.4
175.03935	6.4
177.01871	4.3
185.02367	4.8
187.00389	1.4
187.03970	2.2
189.01955	7.5
190.02684	3.9
191.03540	9.0
193.01346	2.1
199.00345	1.9
200.01097	5.0
201.01932	13.3
202.02615	1.1
203.03467	14.4
207.03072	1.5
213.01910	3.1
214.02759	2.0
214.99905	1.4
215.03372	1.0
216.00674	2.6
217.01401	5.4
218.02138	3.8
219.02933	3.9
223.02608	1.4
226.99884	2.6
228.00566	3.7
229.01399	18.4
230.02138	4.6
231.02968	26.6
232.03342	1.2
235.02390	1.5
242.99350	1.6
244.00037	1.8
245.00912	15.9
246.01556	2.2
247.02484	16.0
248.03198	4.6
249.04034	23.8
255.03026	1.3
257.00919	13.4
258.01556	4.3
259.02441	2.2
261.00388	1.9
263.01895	1.4
270.98822	5.7
271.99557	2.0
273.00381	17.5
274.01230	10.8
275.01959	60.2
276.02283	3.7
283.99704	6.8
285.00320	4.7
285.03351	1.4
291.01373	3.1
298.98218	5.5
299.95920	2.1
299.99100	27.7
300.99875	100.0
302.00256	6.0
329.63480	1.2
331.06564	1.3
399.03909	2.5
417.04523	1.4
419.06024	1.1
425.01468	8.2
427.02942	1.7
463.05539	1.1
483.07687	3.8
543.07831	2.2
597.05176	3.6
613.04572	2.0
615.05438	1.9
633.07483	1.5
755.07605	2.1
765.05792	39.8
766.06427	15.5
767.06335	2.2
783.06378	4.7
784.07538	11.0
785.08386	30.8
786.08405	4.3
909.09985	17.0
910.09979	3.9
959.07544	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	951.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.9
70.63757	0.4
71.01380	17.8
72.52262	0.4
72.99301	1.5
73.02948	2.7
81.03458	1.0
83.01391	2.3
83.05009	0.7
85.02953	4.2
87.00874	4.4
87.04509	0.5
89.02444	15.4
95.01381	1.2
95.05003	0.4
97.02954	2.8
97.06677	0.5
99.00873	1.3
101.02440	11.6
113.02451	7.9
119.03479	4.1
121.03003	0.4
121.10330	0.5
125.02434	5.4
131.03467	0.7
143.03497	2.7
143.70944	0.4
161.04558	3.3
171.10283	1.6
173.76726	0.4
179.05583	4.5
183.10246	1.6
183.13908	2.8
190.45683	0.4
195.13879	4.9
199.06113	0.6
209.11829	0.5
211.13438	0.7
217.07150	0.6
221.06754	2.1
223.13393	2.9
223.17006	0.4
228.13689	0.5
231.21074	0.5
232.67213	0.4
235.08174	5.5
235.17003	5.3
253.09348	1.5
256.13123	1.0
263.07651	0.6
270.74991	0.4
275.20142	14.1
276.20456	0.8
277.21707	51.5
278.22083	2.7
287.07721	1.8
293.21216	100.0
294.21567	6.5
305.08813	2.3
323.09732	1.2
361.11304	0.6
379.12366	4.6
397.13486	38.9
398.13727	2.1
415.08908	0.7
415.14557	14.0
673.34631	1.0
675.35864	1.4
691.35370	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	950.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53600	61.1
75.17970	69.6
92.94624	77.3
108.87210	99.6
114.29106	78.8
125.02453	100.0
210.82637	70.9
211.13356	90.0
279.23090	85.1
281.31799	77.7
369.24142	90.8
426.94772	72.9
453.59848	96.5
855.74066	89.0
888.08508	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38230	1.2
69.38643	3.4
70.79253	0.5
85.02962	0.7
89.02447	0.8
91.91878	0.6
93.03429	1.0
98.20669	1.1
101.02429	0.7
107.01376	1.7
109.02934	0.8
109.19933	0.6
122.08123	0.6
132.02162	1.1
135.00859	1.2
145.02953	0.7
151.00345	1.6
155.13068	0.5
157.06535	0.8
159.04410	0.9
163.00372	2.4
183.00887	0.6
185.06062	1.1
187.03990	2.1
189.01881	0.9
197.06049	0.9
199.53053	0.6
211.03958	2.0
213.05531	1.5
217.45450	0.6
227.03470	17.7
228.04071	0.7
229.01440	0.9
229.05032	7.6
231.03032	1.0
239.03354	0.9
240.04153	1.1
249.11290	1.0
255.02963	40.9
256.03503	3.5
257.00952	0.6
257.04544	3.9
273.00568	0.8
275.01932	1.0
282.98746	0.7
283.02151	0.7
284.03241	65.6
285.04007	66.2
286.04419	3.5
299.98700	0.7
300.99786	3.2
323.01743	0.7
417.07681	0.7
429.17554	1.3
450.99445	3.1
451.99689	1.0
489.10361	100.0
490.10651	6.4
546.76349	0.6
765.59039	0.7
933.06573	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	951.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33844	0.3
71.52973	0.5
83.01399	0.9
91.01877	0.5
94.53036	0.3
107.01382	1.9
108.02178	0.5
109.02945	1.1
117.03473	0.4
121.02950	1.8
125.02508	0.4
132.02226	0.5
133.02956	7.6
135.00862	0.4
135.04535	6.3
146.03734	3.1
148.01691	0.7
149.06087	0.5
151.00366	10.0
152.00671	0.3
159.04529	0.3
161.02443	24.0
161.06090	1.3
162.02861	0.7
163.00365	2.0
163.04117	0.4
164.01080	0.3
164.04784	2.4
169.01495	0.5
175.04044	0.3
177.05550	0.8
178.99869	4.3
179.03519	4.3
179.07143	2.6
180.03981	0.3
183.04523	0.6
187.03984	0.6
193.01279	0.4
199.04016	0.5
201.05547	0.4
203.03468	0.6
211.03979	1.3
221.04581	0.9
226.02719	0.5
227.03464	6.4
228.04185	0.5
229.01437	0.3
229.05031	0.9
239.03365	0.3
243.02980	4.7
243.16409	0.3
245.04564	1.1
254.02161	0.9
255.02988	19.4
256.03485	1.8
257.04626	0.4
271.02463	25.4
272.02887	2.0
273.04068	0.9
275.01996	0.4
283.02481	1.9
284.03268	7.5
285.03989	2.8
299.02054	0.3
300.02753	53.8
301.03491	39.9
302.00848	0.3
302.03781	1.6
323.07706	5.9
324.08020	0.4
396.57846	0.3
447.09302	100.0
448.09595	8.3
450.99310	0.6
503.15582	30.9
504.16055	2.9
560.75708	0.4
845.90533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32251	19.6
70.13083	2.2
71.01378	3.2
83.40012	2.6
85.02995	3.4
92.99837	2.7
95.01363	6.9
100.11789	2.4
101.03861	3.0
107.72239	2.3
109.02929	6.2
111.00874	10.3
117.03450	8.9
119.05012	10.9
121.02917	4.3
123.00855	8.7
124.98782	2.8
125.02454	5.0
131.05006	4.0
133.02942	10.0
135.04527	7.1
137.02455	4.5
139.00371	14.0
141.01897	3.3
143.01389	2.5
145.02966	27.1
147.04469	10.5
149.02406	4.6
151.00401	2.8
157.02921	6.6
159.00845	2.9
159.04453	5.2
161.02460	21.4
162.03221	4.2
163.00307	5.3
163.04002	20.6
164.98282	5.5
165.05489	2.9
166.99783	5.9
169.01408	8.7
171.00856	11.3
173.02422	20.2
174.03105	3.1
175.00459	3.0
175.03999	13.9
176.01129	3.5
177.01959	12.3
178.99867	4.1
185.02393	9.9
187.00386	7.4
187.03966	4.0
189.01938	23.7
190.02818	12.2
190.04117	3.0
191.03510	34.8
191.05281	4.5
195.04482	2.7
199.00325	9.5
200.01071	7.6
201.01932	23.6
202.02580	3.4
203.03493	11.7
205.01277	4.9
205.05072	4.6
207.30092	2.6
211.00610	2.4
213.01920	9.8
214.02689	2.7
214.99762	7.6
215.03346	4.8
216.00694	5.3
217.01410	34.8
218.02016	4.9
219.02995	19.5
221.04539	3.8
222.01508	3.2
223.03888	3.1
226.99870	15.5
228.00551	4.1
229.01404	40.0
230.02029	5.3
230.99156	3.0
231.02942	15.3
233.00935	3.6
235.02301	5.1
239.03409	5.9
241.01392	6.5
242.99341	11.0
243.02881	4.1
243.99971	3.7
245.00880	51.3
246.01500	3.0
247.02454	100.0
251.03369	8.6
254.99368	7.7
255.02917	3.4
257.00998	16.9
258.01611	5.9
259.02451	18.8
261.00378	11.5
261.03772	3.0
263.01752	3.7
267.03030	4.9
270.98776	26.6
271.02435	4.6
271.99200	3.6
273.00403	60.3
275.01935	14.7
279.02972	6.8
281.04514	3.2
282.98761	7.4
283.99576	13.8
285.00388	38.2
291.01428	27.2
295.02438	10.7
297.04056	4.2
298.98352	42.8
299.01608	2.5
299.98965	12.0
300.02582	6.7
300.99921	71.1
301.03299	5.4
302.00140	3.4
307.02429	4.2
310.98160	5.8
313.03342	3.9
316.99414	4.1
323.02017	14.3
325.03439	6.6
333.02472	5.1
335.01923	6.2
339.01395	6.2
351.01489	14.7
363.01572	3.1
371.76703	2.7
379.00897	8.8
381.02167	8.0
399.03378	4.5
407.00275	10.1
419.02390	3.6
425.01425	17.3
443.02441	8.3
445.03915	3.3
450.99420	92.7
451.99509	5.9
453.06653	15.7
461.03598	8.0
477.10318	22.5
500.05634	2.7
505.09875	4.5
548.67133	3.1
571.03491	7.2
613.04285	10.6
735.04779	10.2
737.05902	3.9
753.06104	2.9
877.07129	3.5
895.02313	10.7
903.05188	2.7
905.07025	45.9
906.07397	10.3
913.03992	26.9
914.04352	3.5
931.04572	14.3
949.05005	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	947.6967
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05015	0.7
71.22750	0.4
78.95897	0.6
83.05022	0.4
88.98784	0.2
97.06638	0.3
99.62566	0.2
109.06584	0.5
125.02401	0.4
127.07549	0.2
166.89052	0.2
169.23332	0.2
201.02000	0.2
209.11803	0.3
273.00400	0.3
273.17136	0.3
293.21155	0.3
300.99854	0.3
375.26822	0.2
393.31522	0.6
404.30347	0.2
405.31500	0.8
406.32086	0.4
407.33142	0.9
409.30725	0.3
422.31622	0.3
423.32642	2.0
424.33112	1.8
425.34171	1.3
427.32245	1.2
437.30670	0.3
438.31305	0.2
439.32278	1.4
440.32727	1.0
441.33514	1.1
442.34262	1.0
443.35074	1.3
455.31830	0.9
456.32071	1.1
457.32761	0.9
467.31866	1.4
468.31934	1.3
469.33151	10.2
470.33417	0.8
471.30930	0.4
473.32605	1.2
485.32706	5.1
486.33148	7.3
487.34232	100.0
488.34561	8.3
489.34952	0.2
513.32086	0.5
919.38251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
209.11760	10.6
218.31351	4.6
229.49673	4.7
244.17195	3.8
273.61719	3.8
306.99149	3.6
440.12271	5.1
471.34833	100.0
472.35068	71.4
473.35501	27.4
474.35541	23.6
475.36081	9.4
572.55560	4.2
723.19843	4.7
804.50543	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	948.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46847	73.1
78.95943	10.6
88.07808	9.3
98.20715	16.0
122.39340	11.5
145.33369	9.1
151.00235	8.5
158.60239	9.8
209.11929	12.2
267.26508	9.7
471.34683	100.0
472.35034	55.7
473.35501	31.1
474.35590	14.1
475.35919	11.7
808.50806	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	948.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	16.6
78.95923	15.5
87.00907	12.1
89.02434	14.7
101.02464	11.0
116.92852	100.0
117.92842	25.1
196.60764	11.6
204.95270	10.5
209.11908	62.7
210.12119	28.3
210.59940	13.0
229.10684	14.8
275.97467	10.3
277.21689	39.5
278.21954	26.0
397.13412	16.2
737.92767	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	947.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	2.7
68.76480	0.4
69.03448	0.9
69.50201	0.5
71.01386	1.3
79.25763	0.4
81.03449	0.9
83.05029	0.6
85.02947	4.4
87.00871	5.1
93.03458	20.2
99.00923	0.5
99.04546	0.4
107.01392	1.0
109.02956	1.5
111.04527	3.2
113.02463	0.5
117.03479	0.6
119.05026	5.4
125.02451	0.7
127.04041	1.2
129.01944	0.6
145.02965	1.4
145.97781	0.5
151.00349	3.7
155.03543	0.8
163.00401	0.7
163.03993	6.8
169.01332	0.6
171.02977	0.6
173.02388	0.5
173.04558	6.8
175.00397	1.2
178.99870	0.6
179.03427	0.4
183.04411	0.6
191.05608	100.0
192.05928	2.3
199.04004	0.9
227.03445	1.6
243.03015	1.4
254.02271	0.5
255.02963	10.2
256.03601	0.9
271.02463	13.0
272.02945	0.6
273.00510	0.6
283.02481	23.8
284.03110	4.5
285.04025	18.3
286.04477	1.0
299.01953	26.2
300.02591	5.6
300.99930	3.3
301.03461	24.8
302.03815	0.6
327.05115	0.7
337.09277	26.3
338.09534	1.3
343.04880	0.7
358.70895	0.4
446.08591	4.4
447.09271	12.7
448.09772	0.9
462.07877	7.0
463.08807	3.7
489.10342	1.0
597.07629	0.5
609.14575	90.2
610.14972	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	946.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	9.8
75.00881	2.5
78.95881	2.0
80.02731	1.7
80.96500	2.2
83.05018	6.1
85.02952	3.2
87.00867	3.1
89.02443	11.5
97.02991	2.7
97.12933	2.1
99.00863	3.0
101.02429	10.8
102.02759	1.7
113.02409	5.4
116.92821	2.6
119.03472	3.2
125.02425	5.2
143.03555	2.4
161.04529	3.0
163.11302	3.9
179.05603	3.6
207.10188	2.3
209.11819	100.0
210.12164	34.9
225.11159	2.9
227.12862	11.8
235.08141	5.8
265.88708	2.0
277.21716	45.0
278.22061	24.4
351.80740	2.2
379.12424	5.1
380.12918	3.6
397.13480	23.2
398.13678	13.7
415.14548	6.2
416.14716	2.3
429.49500	1.9
522.48328	1.9
525.83575	2.0
538.96381	2.5
608.26263	2.1
886.47778	6.2
927.87933	2.1
937.34155	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	946.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	8.4
78.95899	14.5
89.02423	10.5
98.19881	17.3
99.92580	11.2
101.02440	12.0
109.06560	5.8
113.02460	10.2
114.93437	6.2
115.00307	7.2
116.92072	10.0
116.92856	100.0
125.02449	5.9
167.34137	6.6
197.11842	5.7
207.10286	12.6
208.10471	8.1
209.11833	67.8
210.12169	29.1
225.11279	7.4
235.08119	7.0
253.09126	6.2
277.21710	67.6
278.22171	30.6
279.22354	7.0
336.20178	5.8
397.13651	14.8
450.99435	6.7
487.34143	8.4
519.77600	6.9
708.35736	6.6
884.07751	8.5
886.47235	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	946.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	26.9
72.99298	5.7
75.00909	8.4
78.95912	9.1
83.01376	7.8
83.05007	7.4
87.00871	9.4
88.98811	8.0
89.02468	17.8
98.19895	21.4
99.92556	6.5
101.02473	13.5
102.73705	5.8
109.06591	11.7
116.92867	68.1
186.78508	5.6
191.91025	5.7
194.53169	5.3
207.10292	11.9
208.10556	9.1
209.11809	100.0
210.12180	35.9
213.37164	5.7
225.11163	6.5
227.12839	16.8
277.21689	73.2
278.22067	47.5
379.12439	9.5
397.13547	28.7
398.13675	6.9
516.37268	6.5
526.08240	6.8
766.25824	6.7
886.49298	8.3
946.42645	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	945.6818
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87093	0.7
71.05015	1.7
73.21416	0.2
78.95903	0.2
84.71536	0.2
98.20026	0.3
123.08114	0.2
136.05380	0.2
236.22571	0.2
250.18666	0.2
300.99832	0.2
369.27985	0.2
377.28329	0.5
391.30222	0.2
393.31711	0.8
405.31476	0.6
409.31204	0.3
421.31058	0.4
423.32703	0.5
425.30600	0.8
437.30472	0.7
441.33694	0.6
467.31650	8.5
468.32050	0.5
471.34659	0.3
485.32690	100.0
486.33035	9.8
487.34064	1.4
488.34903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.6824
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19099	0.3
69.25551	2.7
71.05020	0.4
78.28456	0.4
78.95905	0.7
86.48780	0.3
109.85485	0.4
125.02448	0.3
222.03673	0.4
223.97235	0.3
300.99805	0.6
377.28592	0.4
407.33133	0.8
423.32501	1.4
425.34229	0.9
427.32050	0.7
439.32330	0.5
441.33759	0.4
443.35321	0.4
447.03867	0.3
457.29282	2.5
467.31857	0.8
469.33310	8.7
470.33563	1.2
473.32733	1.4
474.33020	0.3
485.32605	1.8
486.33093	1.0
487.34268	100.0
488.34650	11.4
489.35010	0.4
584.43323	0.4
587.79028	0.4
694.62817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.6817
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01457	0.7
71.05060	0.5
71.53281	0.2
73.03007	0.2
73.45592	0.2
80.53521	0.2
83.05025	1.1
86.25605	0.2
87.99434	0.2
88.98902	0.9
95.05106	0.2
97.06673	0.9
99.08238	0.2
109.06590	4.9
119.08701	0.4
125.02499	0.4
137.09775	0.4
155.02608	0.2
169.01482	0.3
179.37070	0.2
198.11832	0.2
200.28951	0.2
205.16057	0.9
231.17596	0.6
237.18633	0.3
247.17006	0.2
249.18626	1.4
257.01117	0.3
260.15417	0.2
267.19662	2.9
267.22342	0.2
275.01877	0.2
300.99905	0.7
305.21344	0.3
371.24017	0.3
373.25323	0.4
375.27100	0.7
385.27457	1.3
387.27066	0.3
389.28589	0.9
391.30280	1.4
403.22977	0.3
403.29956	1.0
405.31671	9.4
406.31940	0.9
407.29422	0.3
409.27347	0.6
419.29465	0.4
421.31091	6.3
422.31223	0.5
423.32709	28.9
424.32996	2.7
425.30475	1.0
437.30576	3.8
438.31137	0.4
439.32111	12.5
440.32489	1.2
441.33707	15.8
442.34003	1.3
453.30029	0.3
455.31619	15.3
456.31845	1.2
465.29980	0.7
467.31635	20.2
468.31958	2.0
469.32901	0.3
473.32715	0.6
483.30884	0.3
485.32687	100.0
486.33054	10.1
487.34195	3.1
488.34552	0.5
489.35062	0.3
499.30634	2.4
501.31381	0.2
845.89905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	1.0
71.01377	12.7
72.99325	1.6
73.02935	2.1
75.00869	2.2
78.95909	3.2
80.96494	1.0
81.03442	1.8
83.05026	4.4
85.02946	3.8
87.00882	2.7
89.02444	9.8
94.82629	1.3
95.05010	1.0
97.02958	2.4
98.19849	2.1
99.00915	1.6
101.02431	9.7
109.06602	2.5
113.02450	6.7
114.93410	1.2
115.00375	1.1
119.03518	2.2
125.02432	4.2
132.23654	1.0
135.02965	1.9
135.08102	1.1
143.03476	1.4
157.64143	0.9
161.04567	2.6
163.11259	4.7
179.05627	2.2
199.06349	0.9
199.13397	1.3
207.10281	7.3
208.10600	4.5
209.11812	100.0
210.12119	4.9
211.13422	1.8
212.97961	1.0
225.11269	4.2
226.11644	2.5
227.12875	11.7
235.08212	4.9
243.12297	1.0
252.33376	1.0
253.09276	4.6
269.16107	1.0
277.21707	72.3
278.22015	8.5
279.22406	1.7
379.12381	6.6
397.13452	28.3
398.14108	2.7
415.14786	5.2
453.09827	1.2
589.24493	1.3
607.26208	1.1
675.36206	1.9
885.47626	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	945.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22057	1.6
71.01373	9.7
72.99311	1.7
73.02951	1.5
81.03443	1.9
83.05013	4.9
85.02933	2.2
87.00865	2.6
89.02456	7.3
98.26455	1.7
101.02447	5.6
113.02440	4.4
119.03467	3.9
125.02443	3.4
161.04608	2.0
163.11253	1.9
203.28450	1.5
209.11829	67.6
210.12190	2.3
227.12845	7.5
235.08293	2.9
261.49887	1.7
277.18851	2.9
277.21710	34.8
278.22174	2.0
305.08627	2.2
379.12372	5.9
397.13525	23.9
415.14359	5.4
450.29114	1.7
471.34772	100.0
472.35120	99.6
473.35498	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	945.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	5.2
72.99318	1.1
77.96005	1.1
83.05025	2.3
85.02949	1.7
89.02445	5.1
92.36580	1.1
98.19745	2.3
100.98522	1.0
101.02458	4.3
113.02451	2.9
119.03398	1.2
125.02416	2.3
154.00021	1.0
156.97681	1.0
161.04532	1.3
163.11238	1.5
165.61134	1.1
179.05637	2.3
209.11806	40.8
210.12148	1.8
227.12801	4.7
235.08081	1.9
258.91815	1.2
277.21671	20.4
379.12335	4.1
397.13446	14.7
400.33453	1.0
415.14243	1.9
469.33331	1.0
470.33469	1.3
471.34753	100.0
472.35101	95.2
472.42258	1.7
473.35382	29.0
774.84937	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	945.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	3.4
69.03464	9.3
69.31814	18.8
71.01383	73.6
72.99301	4.1
73.02950	18.9
75.59950	2.0
81.03472	8.4
81.12607	2.2
83.01386	23.3
83.05021	4.5
85.02953	30.3
87.00893	7.2
89.02442	28.1
91.12965	2.6
93.03471	3.7
95.01418	8.6
95.05013	4.8
97.02959	8.3
99.00894	6.5
99.04552	2.4
101.02444	49.2
107.05035	3.2
109.02983	12.3
111.00900	4.8
111.04488	2.6
113.02458	22.8
115.65345	2.7
119.03486	9.8
121.02977	6.3
122.03766	4.6
123.04552	4.3
125.02457	81.7
135.04552	5.4
137.02444	69.8
146.03760	23.0
147.04639	2.4
149.02438	4.1
151.04010	6.2
159.03041	3.4
159.04518	8.4
161.04591	13.2
161.05856	3.1
163.11317	4.4
164.01147	16.1
165.01918	41.9
167.03491	24.7
170.41876	2.5
172.05342	4.6
173.06067	5.2
174.03212	10.6
174.06918	3.5
175.03983	4.2
176.04787	2.8
177.01958	6.3
179.03485	11.5
179.05598	3.2
185.06029	4.5
186.06895	4.0
187.04030	6.1
188.04828	7.3
200.04860	4.4
201.05534	3.1
204.04449	5.0
206.54733	2.2
209.11818	21.8
212.04753	5.7
221.06679	5.8
225.05530	6.7
227.03552	3.7
237.05588	2.8
251.07013	2.9
252.07932	2.5
255.14006	2.5
269.11905	4.5
271.13348	27.0
283.13400	4.5
285.15097	5.2
287.12747	3.4
289.14496	10.3
294.08856	4.0
297.15005	3.0
299.12839	8.1
300.99704	2.9
301.14508	3.5
313.14450	16.2
315.15790	3.3
317.13959	5.2
325.14447	12.8
331.15195	4.2
335.16513	4.0
337.14346	6.9
343.15500	6.5
353.17844	3.7
355.15561	2.5
419.18512	15.9
420.41788	2.7
437.19614	9.6
463.17444	6.9
543.14551	4.7
567.24286	6.1
623.53571	2.9
673.28583	5.1
679.80316	2.8
717.27588	5.0
759.35675	3.0
777.37469	12.8
783.45898	7.7
789.37085	13.0
801.36835	6.3
807.38165	7.1
883.41486	9.7
909.39771	4.4
927.40204	59.6
928.40247	10.8
945.53162	100.0
946.37677	3.8
946.50598	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	943.6661
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52896	0.7
71.53230	0.8
83.05019	0.7
119.23685	0.6
125.02416	1.1
157.53294	0.6
169.01421	0.9
169.73782	0.6
171.37923	0.6
179.14688	0.6
227.35460	0.6
300.99911	1.5
375.30539	1.3
405.31253	0.8
407.29446	3.2
413.29929	0.8
439.32080	1.5
441.33728	0.9
457.29337	1.0
467.31644	6.8
483.31467	0.8
485.32721	100.0
486.32977	11.0
487.33939	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	943.7024
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59686	0.2
83.21864	0.2
147.13286	0.2
177.23181	0.2
273.39880	0.2
375.87418	0.1
400.51669	0.2
471.34750	100.0
472.35089	10.8
812.91626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
68.77888	1.4
68.79976	1.7
68.99821	2.2
69.03448	4.7
71.01382	68.1
71.53500	2.3
72.99314	4.4
73.02940	17.1
75.61517	1.4
77.03954	1.3
77.71091	1.4
79.01907	1.8
81.03444	5.1
83.01382	18.1
83.05030	3.3
85.02950	26.9
87.00859	5.3
89.02438	26.6
93.03436	4.0
95.01402	8.6
95.05052	3.8
96.95950	2.0
97.02940	12.0
99.00882	8.8
99.04527	3.5
101.01791	2.9
101.02442	43.5
101.75371	1.5
107.05008	1.8
109.02943	9.1
111.00908	3.6
113.02454	21.2
119.03484	6.2
121.02921	7.1
122.03725	2.7
123.00857	1.5
123.04512	2.8
124.01648	1.5
125.02450	67.6
135.04507	4.4
137.02446	54.2
143.03494	3.1
146.03731	19.3
147.04391	1.9
149.02429	3.3
149.04524	1.6
150.03178	2.1
151.03960	5.2
159.03117	2.8
159.04489	9.7
159.24916	1.4
160.05276	4.4
161.02412	3.2
161.04539	10.0
161.05829	2.8
161.95044	1.6
163.11209	2.5
164.01138	15.1
165.01935	36.0
166.02330	1.7
167.03484	17.4
169.01453	2.0
172.05261	4.2
173.05984	4.0
174.03192	8.1
174.06812	3.0
175.04088	2.5
177.01970	7.3
179.03485	9.8
179.05630	3.1
185.06071	2.5
186.06898	2.2
187.03973	5.1
188.04715	5.7
189.05614	3.0
199.03920	2.5
199.07622	2.1
200.04779	4.1
201.05470	3.4
204.04285	3.3
209.11801	21.2
212.04733	4.6
213.05496	2.5
221.06631	2.1
225.05486	3.3
226.06291	1.9
227.03482	4.5
237.05417	2.8
251.83836	1.5
252.07947	3.4
255.13994	2.6
263.07764	1.7
265.08633	1.7
269.08640	2.0
269.11789	4.9
270.08813	2.4
271.13379	28.0
283.13409	3.2
285.03925	1.6
285.14746	2.5
289.14429	8.1
294.08905	4.4
295.13269	3.1
297.14841	2.3
298.70630	1.6
299.12781	6.5
300.99854	2.3
301.14410	3.3
309.15015	1.8
313.14413	16.7
317.13821	2.5
325.14380	7.6
331.15604	1.9
335.16492	2.4
337.14465	5.7
343.15482	5.1
355.15509	2.2
357.18805	2.0
377.17529	4.0
379.15869	2.0
393.17056	2.3
395.18799	3.2
401.17270	1.7
413.19901	2.0
419.18533	11.9
437.19662	6.9
445.16425	1.8
463.17609	3.7
481.19244	1.5
543.14746	5.8
551.58374	1.6
567.24561	3.8
590.71234	1.7
591.24597	2.0
673.28168	7.2
683.90765	1.7
699.27301	1.6
709.52258	1.5
717.27679	4.2
759.35583	2.1
777.36847	13.3
778.37720	2.5
783.45471	6.5
784.46338	1.6
789.37518	8.2
801.37079	4.2
807.37994	9.2
808.38361	1.8
883.41547	8.6
884.42004	2.2
909.38678	5.4
927.40137	58.0
928.40161	9.8
945.52667	100.0
946.50171	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	943.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	22.8
72.99313	2.3
73.02953	2.8
74.28321	1.2
80.02652	1.6
81.03474	3.3
83.01386	3.7
83.05041	3.9
84.02235	1.2
85.02953	5.0
87.00884	4.6
89.02441	18.1
97.02943	12.0
99.00885	4.9
100.55349	1.2
101.02438	13.9
109.06586	36.4
110.03701	1.6
110.06950	1.3
111.00858	2.0
113.02462	10.0
119.03465	7.1
121.06617	2.4
123.04390	1.3
125.02438	7.2
125.09815	1.3
134.67792	1.1
135.08185	5.0
136.05280	1.4
141.01859	1.7
142.02699	2.8
143.03485	2.4
145.10268	1.8
157.92651	1.2
161.04536	3.7
161.09709	1.5
163.11272	20.5
173.27083	1.1
179.05618	6.2
179.10736	1.3
181.12332	6.6
189.09331	2.5
207.10239	100.0
208.10547	4.4
209.11797	4.6
211.13420	2.0
221.06606	2.5
225.11305	43.8
226.11652	2.4
235.08151	6.0
243.12228	1.7
277.21716	53.9
278.22043	3.8
287.07648	1.8
379.12375	8.4
397.13495	44.1
398.14020	1.7
415.14453	13.7
450.99976	1.3
485.32593	2.2
587.23187	2.4
605.24255	10.8
623.25562	7.5
680.92432	1.7
883.46997	63.2
884.46985	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	943.6664
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83855	0.3
69.28777	3.0
70.67928	0.3
71.05007	1.2
83.04987	0.4
88.63023	0.3
89.70552	0.3
96.16639	0.3
144.57724	0.3
144.58885	0.3
201.11525	0.4
242.25293	0.4
282.57895	0.3
294.29498	0.3
300.99860	1.1
369.27954	0.4
377.28403	0.5
393.31595	1.1
394.03653	0.3
421.31155	0.6
423.32599	1.4
425.30591	0.8
437.30881	0.6
441.33755	0.7
457.29477	1.2
467.31625	11.4
468.31717	1.0
471.34772	1.5
485.32712	100.0
486.33029	12.0
486.39740	0.7
487.33575	2.3
612.51886	0.4
891.83777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85651	2.4
70.85981	1.4
71.01379	17.7
71.05020	2.5
72.99317	1.7
73.02964	3.5
75.00872	2.5
81.03443	1.9
85.02960	6.9
87.00866	7.3
89.02441	9.5
95.01401	2.3
97.02950	11.2
97.06605	1.4
99.00883	20.7
101.02435	11.5
109.06592	1.9
110.03749	1.7
113.02457	5.8
119.03498	1.9
123.08118	1.3
125.02437	10.6
125.09721	6.8
135.08160	1.9
142.02731	2.7
143.02420	1.4
143.03508	2.2
161.04543	2.5
163.11299	12.2
179.05609	3.0
181.12341	24.3
199.13416	5.1
207.10246	67.6
208.10657	3.4
221.06598	2.1
223.13361	1.5
225.11311	100.0
226.11676	4.2
235.08199	2.6
243.12355	35.6
244.12584	2.1
263.07748	1.7
277.21710	51.4
278.22125	4.2
300.99899	2.2
317.16068	3.3
397.13306	8.6
537.14044	1.5
605.24408	29.0
606.25287	3.4
623.25623	27.6
624.26172	3.3
883.46948	94.6
884.47467	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	943.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.2
71.01381	28.3
72.52660	1.4
72.99307	2.0
73.02933	4.1
79.26772	1.3
81.03443	4.1
83.01378	3.2
83.05011	4.4
85.02938	7.6
87.00901	7.1
89.01936	2.0
89.02441	19.9
93.03474	1.5
95.01372	2.0
97.02946	9.6
99.00882	4.7
101.02431	19.0
107.05007	1.5
109.06594	36.0
110.03698	3.5
113.02442	11.3
115.00343	1.5
119.03468	6.3
121.06550	2.0
123.04507	1.9
125.02434	10.4
135.08127	3.9
136.05261	1.5
142.02699	2.7
143.03510	2.5
161.04543	4.6
161.09668	3.7
163.11261	18.1
169.01427	1.9
179.05562	5.3
181.12289	3.5
183.43474	1.3
189.09184	3.0
197.12021	1.2
207.10245	100.0
208.10524	4.6
209.11758	3.3
221.06609	3.0
225.09244	2.4
225.11308	37.9
235.08240	8.8
243.12291	1.5
277.21710	84.3
278.22195	6.3
287.07654	2.7
305.08850	2.3
308.02994	1.3
323.09674	2.2
366.13177	1.9
379.12332	9.0
397.13477	65.9
398.13870	2.8
412.81982	1.3
415.14542	16.3
436.22247	1.6
453.33994	1.9
469.32840	2.7
605.24475	9.4
623.25244	3.5
664.48730	1.6
675.35931	3.7
865.46191	3.7
883.46912	72.5
884.46985	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	943.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	2.4
69.21774	10.4
71.01385	17.1
71.05046	1.1
72.99288	1.0
73.02959	2.4
74.31934	1.0
78.95928	1.0
81.03471	1.2
83.01376	3.2
84.23016	1.0
85.02943	4.4
87.00877	5.2
89.02448	9.5
95.01401	2.0
97.02946	11.7
97.06587	3.0
99.00883	21.6
99.01518	1.4
101.02451	11.0
109.02945	1.4
109.06580	3.1
111.04496	1.7
113.02451	4.6
116.92812	1.2
116.93636	1.3
119.03482	2.2
123.00954	1.2
123.08118	2.2
125.02461	8.1
125.09754	5.9
125.10511	1.1
135.08183	1.5
136.05286	2.3
142.02690	2.0
143.03455	2.0
161.04556	2.3
163.11308	12.2
167.03458	1.5
179.05600	2.3
181.12354	18.5
185.02449	2.1
197.11719	1.4
199.13351	2.8
201.01942	2.1
207.10257	58.5
208.10683	2.6
209.11774	1.5
211.13362	2.6
221.06625	2.3
223.13368	1.3
225.11314	87.8
226.11700	3.6
229.01382	1.8
235.08217	3.1
243.12375	26.3
263.07584	1.4
277.21722	60.0
278.21979	3.7
283.99524	2.7
300.99887	91.7
302.00110	6.4
317.16013	1.3
397.13437	11.9
415.14590	3.4
605.24524	18.5
623.25537	10.5
862.21619	1.3
883.46912	100.0
884.47192	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	941.6875
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44564	0.1
78.95925	0.1
93.41618	0.1
151.04117	0.1
157.07773	0.1
275.01837	0.1
277.21786	0.1
300.99713	0.4
379.12320	0.1
397.13657	0.1
407.33157	0.1
423.32901	0.7
424.32932	0.1
425.34134	0.2
427.31985	0.1
439.32544	0.1
445.20908	0.1
458.50528	0.1
469.33203	3.1
470.33646	1.0
471.34781	100.0
472.35144	9.8
472.42038	0.2
476.11478	0.1
483.30862	0.2
601.43140	0.1
885.48230	0.1
941.47516	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	941.6868
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39383	0.3
69.16461	2.5
69.16881	1.2
71.05006	1.1
97.06609	0.6
115.48770	0.4
125.02440	0.5
137.99930	0.3
189.17049	0.3
201.11267	0.7
219.07645	0.5
300.99756	0.5
393.31546	0.6
395.32974	0.4
397.13535	1.0
407.33215	0.7
409.31082	1.6
425.34189	0.6
437.30402	0.4
439.32233	1.4
451.32098	10.2
452.32504	2.8
453.32861	1.0
469.33191	100.0
470.33527	32.9
471.34695	90.1
472.35046	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	943.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53101	0.3
71.01372	0.5
80.83463	0.4
83.01355	0.5
86.40427	0.4
98.20732	1.0
107.01365	1.8
108.02176	1.2
109.02945	0.7
121.02943	0.9
124.48489	0.3
125.02434	0.6
128.19496	0.4
135.02992	6.0
148.01645	0.6
151.00356	6.2
161.02386	0.5
163.00328	1.1
164.01184	0.5
169.01430	0.5
178.99861	3.2
187.03925	0.4
187.07607	1.5
199.04048	0.6
211.03922	0.4
216.04149	0.4
226.02559	0.4
227.03387	1.5
229.68477	0.6
243.02982	4.9
245.04509	0.6
254.02167	1.3
255.02974	13.6
256.03314	1.0
257.08151	1.4
270.54932	0.4
271.02454	31.4
272.02838	2.2
273.03909	0.5
275.09378	0.5
283.02332	0.9
299.02005	0.5
300.02722	64.1
301.03436	22.1
302.03845	1.4
393.11914	1.0
463.08832	2.3
505.09857	100.0
506.10181	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	941.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65974	1.4
69.03415	2.5
69.82209	1.3
71.01386	23.7
71.51717	2.0
73.02950	1.4
78.95904	4.3
83.01393	1.8
85.02953	4.9
87.00869	4.8
89.02438	14.2
97.02946	3.1
101.02448	13.9
106.99757	1.4
113.02477	6.8
116.92873	15.3
119.03475	4.1
125.02460	8.8
143.03484	2.8
149.09737	1.7
161.04514	4.9
167.10770	2.5
179.05597	4.7
179.14366	2.5
195.13936	10.3
202.49747	1.4
205.12346	12.5
221.06564	3.0
223.13383	100.0
224.13789	3.9
235.08173	6.3
239.05791	1.4
261.02170	1.4
277.21716	56.0
278.21924	3.5
287.07892	1.6
305.08856	1.9
323.09811	2.1
379.12430	10.5
397.13483	44.1
398.13736	3.0
415.14426	10.1
603.26416	12.7
604.27039	1.6
621.27661	14.7
657.33978	1.9
675.36267	1.9
803.40796	1.6
881.48492	4.2
941.43793	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	941.6871
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33382	1.1
71.01366	0.2
73.09112	0.1
113.02422	0.2
125.02409	0.2
137.60478	0.1
157.07753	0.2
169.01395	0.2
190.43381	0.2
277.21503	0.3
300.99911	0.6
386.45023	0.1
393.15186	0.2
397.59372	0.1
407.32971	0.2
423.32788	0.7
424.33017	0.4
425.33975	0.1
431.30472	0.2
446.71735	0.1
469.33240	3.5
470.33594	1.1
471.34778	100.0
472.35123	9.8
483.31564	0.3
744.18872	0.1
931.52747	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	941.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56740	1.2
69.57160	2.3
71.01372	1.1
71.51985	0.5
82.02636	0.5
82.25397	0.5
83.01347	0.6
85.02958	1.2
91.44237	0.5
98.19953	1.1
101.02477	0.9
107.01409	0.7
108.02170	20.4
109.02959	9.2
113.02359	0.7
117.03497	0.8
121.02927	0.9
123.00843	0.7
123.15666	0.5
125.02402	1.3
132.02191	0.9
133.02954	10.3
135.00917	0.6
135.04530	4.4
137.02478	0.6
145.02893	0.6
151.00352	1.8
151.03969	0.6
152.01149	29.5
153.01953	11.4
161.02435	30.0
162.02866	0.8
163.04002	0.8
165.01862	0.8
169.01443	1.4
178.99857	0.8
179.03471	2.2
189.01709	0.5
243.02954	0.8
255.02991	1.9
271.02374	2.4
282.75034	0.5
300.02698	6.3
300.99838	1.8
301.03421	8.5
302.03635	1.9
315.07217	26.5
316.07458	2.0
323.07758	1.5
433.11383	1.2
456.06253	0.6
463.08777	6.1
464.09164	4.2
465.09241	2.4
477.10419	100.0
478.10800	8.0
788.51062	0.7
909.96765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05313	0.3
69.33688	0.3
71.05024	4.2
75.01313	0.3
83.05032	0.8
85.06593	0.5
93.03461	0.8
119.08677	0.6
125.02414	0.5
137.02435	1.4
139.67104	0.3
145.02965	0.4
161.02426	0.4
167.78735	0.3
169.01501	0.4
169.10301	0.4
169.53841	0.3
183.13943	0.3
189.12872	0.4
205.16029	1.2
209.11914	0.5
227.12955	0.3
249.14929	0.5
255.17433	0.3
275.18134	0.3
300.99896	0.7
305.22760	0.5
329.32428	0.3
361.25189	0.4
375.26862	0.5
377.28442	4.7
378.28745	0.7
391.26099	0.5
393.31628	17.7
394.32062	1.7
405.31619	1.0
407.29514	1.4
409.26935	0.8
409.31857	1.8
411.32791	3.1
419.29874	0.3
423.28522	0.5
423.33273	0.5
425.30588	14.7
426.31299	1.5
427.32126	6.4
428.32236	0.5
437.30585	0.9
439.32059	0.6
441.34064	1.6
443.31738	1.1
455.31873	0.4
457.33463	1.4
459.34784	100.0
460.35144	9.6
463.22168	0.5
473.32596	0.6
477.35797	1.4
485.32819	0.7
491.33765	8.0
492.34012	0.5
503.33817	10.3
504.33887	0.7
521.34821	40.9
522.35114	4.6
838.53229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.8
65.28372	0.3
66.18888	0.2
67.37617	0.3
68.93567	0.3
68.96362	0.2
69.17490	0.3
69.35090	2.3
71.01371	0.8
74.22830	0.2
83.01374	0.6
83.24060	0.3
85.02944	0.4
95.01339	0.4
98.19926	0.5
98.51112	0.3
101.02433	0.5
107.01391	1.2
108.02164	0.7
109.02925	1.0
113.02480	0.3
121.02937	0.9
123.00871	0.4
124.21567	0.3
125.02436	1.4
135.00899	0.6
141.91737	0.3
143.43530	0.3
148.01619	0.6
149.02425	0.4
151.00359	6.0
152.01109	0.7
152.18996	0.2
161.04497	0.3
163.00375	1.8
164.01178	0.4
169.01372	1.7
177.01909	0.7
178.99847	3.1
190.99709	0.3
199.03987	0.4
211.04042	0.6
215.03491	0.5
224.24904	0.3
226.02768	0.8
227.03532	1.3
243.02969	4.9
245.04419	0.5
254.02170	1.1
255.02968	13.7
256.03412	0.8
271.02451	29.4
272.02878	1.9
273.03799	0.6
283.02423	0.6
299.01929	0.9
300.02725	67.6
301.03436	26.3
302.03662	2.0
371.20435	0.6
389.21881	0.8
419.92453	0.3
431.22842	1.8
432.23788	0.3
463.08789	100.0
464.09137	7.5
465.09457	0.7
475.08777	1.1
617.07587	0.5
769.08521	0.6
928.95422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1106
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
67.01888	3.0
69.03465	1.8
71.01385	1.8
79.01908	2.0
81.03461	1.6
85.02948	0.7
95.01387	13.8
97.02969	2.1
99.27386	0.7
107.01392	9.2
109.02957	1.1
111.00858	3.9
113.02416	0.9
115.05540	0.9
119.05019	1.4
121.02963	1.6
123.00883	33.5
124.01694	3.5
125.02447	90.8
126.02776	1.0
127.00396	1.1
133.06618	0.7
135.04555	0.9
136.98824	1.9
137.02463	1.7
139.00377	7.1
140.01175	5.1
141.01935	1.8
143.05049	0.7
145.02937	1.6
147.04514	1.2
149.02415	1.0
151.00377	3.8
153.01990	0.9
159.04514	2.1
160.01633	0.8
161.02441	3.6
163.04016	1.9
165.01985	1.1
166.99855	14.7
168.00638	10.4
169.01419	100.0
170.01778	2.3
171.04512	0.9
173.02448	1.1
175.04008	1.7
177.01949	2.5
179.03491	1.3
181.01514	1.2
187.04012	2.5
189.05614	2.6
190.02725	1.1
191.03464	1.7
193.01445	3.7
199.03870	0.9
201.36841	0.6
203.03505	1.9
205.01411	3.7
205.05014	1.6
207.03011	2.4
211.02386	4.9
215.03572	1.8
217.05109	1.9
219.03046	1.0
221.00909	1.7
222.35863	0.8
222.88882	0.7
230.23761	0.7
230.60344	0.7
231.02837	0.8
233.04544	3.6
235.02464	1.8
241.01210	0.7
249.04070	1.3
259.02383	1.6
261.03983	2.4
277.03439	3.8
279.05026	3.7
285.75235	0.9
295.04605	4.3
297.06201	1.0
300.02768	2.0
301.00070	1.6
301.03549	3.0
313.05713	4.8
329.47556	0.7
390.58240	0.7
429.04575	1.4
431.06070	4.3
447.05524	4.3
449.07553	1.1
463.09305	1.1
465.06689	3.0
505.09793	1.3
588.60272	0.7
599.06958	4.3
601.08478	3.3
617.07831	12.7
618.08405	1.4
725.10425	0.9
769.08899	60.7
770.09332	9.3
787.09863	7.2
939.11084	19.7
940.11700	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	937.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04110	8.5
68.20044	8.2
68.99562	30.9
71.01367	11.7
71.52830	8.9
74.32365	7.9
75.38361	7.6
87.00878	9.6
89.02434	13.1
98.27341	8.3
99.92596	12.2
112.98582	24.8
116.92867	16.4
132.60243	8.5
179.05591	14.0
211.13344	100.0
237.85355	9.0
263.76123	9.0
277.21713	47.4
379.12537	24.9
397.13528	51.7
591.26404	18.0
595.66803	9.0
675.36292	15.4
699.36804	10.9
707.39587	9.3
775.43396	10.4
869.48413	21.6
870.42670	11.5
887.98199	9.8
937.48907	60.8
938.49719	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	937.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04110	8.5
68.20044	8.2
68.99562	30.9
71.01367	11.7
71.52830	8.9
74.32365	7.9
75.38361	7.6
87.00878	9.6
89.02434	13.1
98.27341	8.3
99.92596	12.2
112.98582	24.8
116.92867	16.4
132.60243	8.5
179.05591	14.0
211.13344	100.0
237.85355	9.0
263.76123	9.0
277.21713	47.4
379.12537	24.9
397.13528	51.7
591.26404	18.0
595.66803	9.0
675.36292	15.4
699.36804	10.9
707.39587	9.3
775.43396	10.4
869.48413	21.6
870.42670	11.5
887.98199	9.8
937.48907	60.8
938.49719	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	937.0946
Annotation	Punicafolin
Peak:m/z	Relative Intensity
67.01869	0.4
68.53126	0.4
69.16924	1.7
69.17351	2.6
71.01389	0.7
71.83302	0.4
77.27745	0.4
89.33472	0.4
95.01389	3.0
97.02953	0.4
101.02441	0.6
107.01390	2.9
111.00900	0.5
113.02436	0.7
117.03465	0.9
119.05061	0.7
123.00891	7.2
124.01677	1.3
125.02450	16.3
126.02825	0.6
129.03461	0.5
131.05075	0.6
133.02962	1.2
137.02437	0.6
139.00388	1.1
140.01129	0.8
145.02927	2.2
147.04526	1.6
149.02486	0.7
151.00441	0.6
151.04047	0.6
155.33833	0.5
157.02950	0.9
159.04527	1.3
159.57777	0.4
161.02480	1.7
163.04012	1.5
166.99849	1.3
168.00648	1.4
169.01414	16.0
170.01677	0.6
173.02370	3.1
175.04021	2.3
177.01888	2.1
179.03523	0.7
185.02446	3.4
187.04060	0.9
189.01961	1.5
190.02725	0.9
191.03473	2.7
193.01443	0.9
200.01169	0.4
201.01913	3.9
202.02580	0.6
203.03499	5.7
205.01459	0.7
205.05009	0.5
207.02919	0.5
211.02466	0.6
213.02029	1.0
216.00658	0.6
217.01395	2.6
219.02951	1.0
221.00844	0.4
221.04536	0.7
226.99886	0.6
229.01387	9.1
230.01929	0.5
231.03000	5.5
245.00922	4.8
245.67183	0.5
246.01508	0.5
247.02393	2.1
248.03267	1.9
249.01569	0.6
249.04044	11.8
250.04324	0.8
257.00912	6.8
258.01627	1.4
259.02505	0.5
270.98712	0.4
273.00415	4.0
274.01080	1.6
275.01962	23.2
276.02283	1.4
280.09390	0.4
283.99606	3.6
285.00122	0.6
291.01373	1.2
295.04553	0.6
299.98999	3.4
300.99887	100.0
302.00317	5.7
303.00519	0.4
313.05658	3.4
419.06067	2.1
453.00092	0.6
465.06860	4.1
599.07037	0.5
615.06488	0.5
741.09686	0.8
767.06787	4.7
768.06317	0.9
769.08679	0.4
785.08350	1.4
881.25940	0.5
937.09393	23.7
938.09473	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	935.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.3
83.01398	0.5
91.01915	0.1
93.03465	0.8
95.01393	0.1
107.01380	0.4
108.02168	0.2
109.02943	0.4
114.50132	0.1
117.03442	0.2
119.01379	0.1
123.04426	0.2
130.04303	0.1
131.05080	0.1
131.45430	0.1
133.06660	0.1
135.00871	0.3
137.02434	0.4
143.05052	0.6
145.02931	0.3
147.00816	0.1
151.00368	0.7
154.04201	0.5
155.05014	0.3
156.05751	0.1
157.02893	0.2
157.06558	0.3
159.04529	0.5
161.02461	0.2
163.00385	0.4
164.01210	0.2
165.01952	0.2
167.05121	0.2
168.05804	0.1
169.01408	0.1
169.06586	0.7
171.04457	0.4
173.02409	0.2
173.06165	0.1
183.04413	0.1
184.05289	0.2
185.06053	1.1
187.04007	0.7
189.05536	0.1
195.04547	0.2
197.06041	0.1
199.03961	0.3
201.05551	0.4
211.03978	0.7
212.04773	0.1
213.05527	0.6
214.02698	0.4
215.03487	0.3
219.19041	0.1
227.03465	0.4
229.05022	0.9
237.45313	0.1
239.03482	0.7
240.04225	0.3
241.04994	0.1
243.02969	0.4
255.03020	0.2
257.04547	0.5
268.03912	0.2
284.03317	0.2
285.04041	100.0
286.04376	5.1
300.99963	0.2
341.76712	0.1
345.24283	0.1
592.58636	0.1
762.50122	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	935.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	0.9
68.42334	0.7
69.07408	0.7
69.27841	2.4
69.28271	4.9
71.01346	0.8
71.27895	0.8
85.02997	1.3
95.01393	2.5
101.70750	0.8
107.01371	2.3
111.00877	3.5
113.02428	1.2
123.00897	5.3
125.02455	11.4
129.03514	0.9
133.02911	0.8
137.02397	1.0
139.00381	3.9
141.01906	1.2
145.02910	1.3
147.04488	0.9
149.02510	1.0
157.02937	1.1
159.04431	0.9
161.02440	2.2
163.00346	2.3
163.04036	0.9
164.98335	0.9
166.99809	1.2
169.01434	8.1
173.02463	1.4
175.04010	2.4
177.01981	1.9
185.02414	1.7
187.03966	1.7
189.01973	1.7
191.03520	1.4
193.01401	1.6
201.01913	3.9
203.03505	1.5
213.01862	1.9
215.03529	1.5
217.01468	2.0
221.00658	1.1
223.03966	1.4
226.99805	1.0
229.01436	5.8
231.02925	3.7
233.04352	1.1
235.02287	1.2
239.03531	1.3
245.00839	2.9
247.02344	2.3
251.03523	1.1
254.99263	1.3
257.00955	3.6
258.01535	1.2
259.02426	3.0
261.00409	2.4
267.02930	1.8
269.00967	0.8
269.04514	1.3
270.98843	0.9
273.00327	2.1
275.01974	4.9
279.02942	1.3
283.99655	1.2
285.00388	8.5
293.01135	1.8
295.02417	2.0
299.99014	2.5
300.99884	21.1
302.00250	4.7
305.00513	1.0
307.02493	1.5
310.98346	1.4
323.01837	3.2
326.97791	1.0
333.00366	0.9
335.01990	1.9
336.99847	1.2
339.01343	1.1
348.99854	1.4
351.01376	2.3
353.03018	2.6
365.03140	1.2
367.00748	2.4
376.99326	3.3
379.00980	2.9
381.02478	4.6
399.03644	3.6
404.98941	3.9
407.00446	2.6
422.99884	1.3
425.01379	13.5
426.02005	1.0
432.98453	1.5
443.02475	1.9
450.99402	100.0
451.99692	7.4
462.94003	0.8
483.07874	2.5
713.05585	1.3
738.46442	0.9
749.06464	0.9
765.06177	3.7
917.06793	1.2
935.07709	14.1
936.08032	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	935.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	1.1
67.01888	0.9
69.25873	6.4
71.01391	0.6
75.00907	0.7
85.02959	1.3
86.81499	0.7
95.01394	3.4
105.06979	0.6
107.01363	2.4
111.00856	3.4
113.02471	1.3
115.24150	0.6
117.03474	1.2
117.75834	0.7
119.05007	0.7
121.02954	1.0
123.00906	4.8
125.02446	13.7
133.02969	0.9
135.02995	1.4
137.02415	1.0
139.00346	3.1
140.01114	0.7
145.02951	1.9
147.00923	1.0
147.04530	1.2
149.02417	1.1
151.00304	0.9
157.02966	1.0
159.04514	1.7
161.02414	2.5
163.00386	3.4
163.04037	0.8
164.98276	1.2
166.99832	1.5
168.00650	1.0
169.01431	10.2
172.01534	0.8
173.02393	3.1
175.03975	1.5
177.01930	1.9
185.02446	2.4
187.04013	1.9
189.01927	2.2
191.03503	1.6
192.96950	0.6
193.01427	0.9
200.01262	1.0
201.01881	4.5
203.03479	2.9
213.01903	2.4
214.02722	1.2
215.03461	2.1
217.01357	1.9
222.45497	0.7
223.04065	1.7
225.05518	0.9
226.99786	1.9
228.00589	0.9
229.01390	6.6
230.01985	1.4
230.99165	0.8
231.02954	3.3
233.04512	0.9
239.03430	0.9
241.01376	1.0
243.99815	0.8
245.00848	3.1
247.02422	2.6
249.03947	1.5
251.03510	1.5
254.99359	0.8
257.00854	4.6
258.01501	1.1
259.02487	4.4
261.00354	2.3
265.01550	1.0
267.02942	2.6
269.04758	0.7
270.98886	2.5
271.99564	1.1
273.00351	3.1
274.01132	0.9
275.01962	7.2
279.03012	1.5
281.04504	0.8
283.02603	0.8
283.99527	1.6
285.00400	8.0
293.00952	1.9
294.01410	1.0
295.02487	2.0
298.98422	1.9
299.99081	2.8
300.99887	32.9
302.00226	5.7
307.02594	1.8
309.04010	1.1
310.98306	1.8
311.01831	1.0
313.05649	1.1
321.00354	1.4
322.98593	0.7
323.01926	4.2
325.03577	1.7
326.97705	1.0
331.06461	1.1
333.00430	1.0
335.01880	1.9
338.00620	0.9
339.01312	1.8
348.99796	1.5
350.00626	1.1
351.01428	3.5
353.02969	2.4
365.02954	1.9
367.00848	1.6
376.99341	4.5
379.00989	2.5
381.02438	4.1
395.00568	0.9
397.01962	1.0
399.03555	3.9
400.04028	0.9
404.98816	3.7
407.00424	2.5
425.01425	15.1
432.98471	0.8
434.99774	0.8
443.02402	1.6
450.99402	100.0
451.99820	8.2
483.07526	3.1
569.05939	0.9
597.04736	0.9
711.08923	0.8
713.06982	0.9
749.06366	1.4
765.05865	4.3
783.06683	1.7
917.07410	1.1
935.07874	17.6
936.08325	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	933.6953
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85487	3.1
76.96101	1.2
99.03323	1.2
125.45451	1.3
129.11656	1.1
134.45093	1.3
209.11763	1.8
314.92612	1.1
351.04691	1.1
365.59964	1.5
455.35272	100.0
456.35837	9.9
752.43884	1.3
792.23096	1.2
875.64441	1.3
933.69489	86.4
934.69855	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	935.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26200	1.6
69.26607	3.7
71.01402	0.5
85.02956	0.7
91.97993	0.6
95.01373	1.4
107.01373	1.3
111.00864	1.0
112.20412	0.6
117.03489	0.8
119.05048	0.7
123.00877	2.6
125.02443	6.0
129.03503	0.7
133.02948	1.4
139.00404	0.8
145.02959	3.8
147.04532	1.6
149.02377	0.7
157.02911	1.6
158.03604	0.7
159.04480	0.7
161.02452	1.3
163.00391	0.9
163.04027	1.6
166.99780	0.9
169.01477	3.9
173.02411	4.0
175.03966	2.2
177.01933	0.9
185.02400	5.2
189.01944	2.1
190.02708	1.1
191.03479	2.1
191.05606	2.5
201.01903	5.7
203.03506	4.0
212.87146	0.7
213.01860	1.5
217.01424	1.9
218.02122	1.0
219.03009	1.2
226.99803	1.1
228.00655	0.7
229.01387	9.4
230.01907	1.1
231.02968	3.4
233.04510	0.8
245.00847	4.1
247.02390	2.1
249.03992	2.8
257.00934	7.4
258.01572	1.4
259.02332	1.4
261.00497	1.1
273.00452	2.2
274.01227	2.5
275.01974	18.3
276.02240	0.7
283.99597	3.9
285.00323	2.7
293.00967	0.8
295.02597	0.8
299.99194	4.7
300.99881	100.0
302.00211	6.5
323.01639	0.6
325.03464	0.8
337.09216	0.7
351.01077	0.7
353.03036	0.7
376.99417	1.3
381.02438	1.4
384.78906	0.7
399.03525	1.1
404.98990	1.2
407.00604	0.8
425.01563	3.6
450.99390	31.5
451.99780	2.5
463.05261	1.3
464.05725	0.6
481.06064	0.8
532.28900	0.6
558.45105	0.7
633.07343	13.0
634.08057	1.0
765.06732	1.1
783.07275	0.7
935.07587	16.1
935.25256	0.9
936.08240	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	933.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	3.4
69.03440	2.6
69.23145	8.5
71.01382	1.5
79.01896	2.2
81.03449	1.7
83.01386	1.7
85.02929	0.9
86.56407	0.8
87.68149	0.9
90.83109	0.8
91.97256	0.9
93.03445	1.7
95.01389	16.1
97.02951	3.9
98.19813	1.8
107.01385	7.9
109.02977	1.8
110.00109	1.0
111.00891	4.6
113.02466	1.2
117.03449	3.9
119.05032	9.8
121.02972	1.3
123.00885	37.9
123.04523	1.3
124.01659	3.4
125.02447	89.5
126.02775	2.0
127.00346	1.6
133.02892	1.1
134.03738	1.3
135.04544	2.1
136.98792	2.4
137.02451	2.8
139.00386	9.0
139.04042	1.1
140.01184	5.9
141.01915	2.8
143.03569	0.9
143.04924	1.3
145.02940	9.5
147.04524	0.9
149.02449	1.0
151.00328	2.3
159.04489	3.1
161.02423	5.4
163.03996	7.6
165.01862	1.2
166.99846	16.9
168.00653	12.1
169.01419	100.0
170.01718	2.5
171.04488	1.3
175.03963	1.2
177.01945	1.8
177.05563	1.6
179.03464	2.5
181.01343	1.5
187.03987	2.2
189.01959	1.3
189.05583	2.0
190.02751	1.5
191.03525	2.1
192.00552	1.3
193.01382	3.1
196.62720	0.8
203.03474	2.7
205.01404	3.5
205.05003	2.5
207.03030	2.0
211.02487	5.0
215.03485	2.5
217.04977	2.6
233.04538	3.3
249.04150	1.3
251.83073	1.0
261.03998	2.0
275.01871	1.1
275.09180	1.2
277.03516	4.8
279.04993	2.5
295.04565	6.9
300.99811	2.5
313.05673	3.7
385.84641	0.9
425.08655	1.1
429.04575	2.0
441.07962	1.7
447.05817	4.9
454.83292	0.9
465.06677	1.8
593.09412	3.5
595.10834	3.5
611.10376	15.5
612.10425	1.1
699.36066	0.9
719.12781	2.6
763.11456	64.7
764.11804	8.0
769.09485	1.8
781.12250	7.8
933.13647	20.7
934.14990	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	933.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50876	1.0
69.24473	0.9
70.33268	0.9
71.00281	2.4
95.01382	2.1
111.00869	2.8
117.03457	1.9
119.05042	1.8
123.00884	2.8
125.02441	2.8
129.03459	2.6
133.02956	2.2
139.00388	3.7
145.02983	5.0
147.04482	3.3
149.02492	1.1
157.02907	3.4
159.04494	3.8
161.02403	4.1
163.00333	1.7
163.03941	5.0
164.01198	1.2
164.98264	4.5
166.99831	2.3
171.00702	1.4
173.02426	4.8
175.04010	3.7
177.01927	1.5
178.99895	1.5
180.48521	1.0
185.02473	6.6
187.00392	1.9
187.03998	3.0
189.01868	5.5
190.02760	1.4
190.99815	1.4
191.03506	6.3
191.04958	1.0
193.01361	1.5
199.00314	2.2
200.01085	2.2
201.01941	10.1
203.03447	9.4
207.04419	1.2
213.01920	6.5
214.02687	1.9
214.99820	1.5
215.03432	2.0
216.00632	2.0
217.01440	5.5
219.02939	2.5
223.03949	1.3
226.99911	5.6
229.01396	23.6
230.01984	2.1
231.02943	9.5
241.01477	2.6
242.99335	1.5
245.00955	8.7
247.02460	3.9
249.03996	5.5
251.03421	2.0
254.99210	2.3
257.00870	18.7
258.01654	6.6
259.02454	6.1
261.00348	3.4
267.02902	1.7
269.00687	1.1
270.98804	4.1
273.00351	7.6
274.01169	2.6
275.01968	43.1
275.09061	1.6
276.02298	2.9
279.02866	2.4
282.98734	2.9
283.99707	6.9
285.00354	13.8
295.02469	2.8
298.98407	5.8
299.01401	1.5
299.99100	7.6
300.99884	100.0
302.00211	5.9
303.01703	1.1
307.02338	2.6
310.98358	1.6
323.01868	4.0
325.03476	2.7
335.01901	3.1
339.01349	2.2
351.01151	6.7
367.00812	1.1
379.01065	3.0
381.02386	2.4
407.00443	2.9
425.01407	4.3
443.02240	1.4
450.99411	38.9
451.99561	3.2
463.05035	1.5
479.04547	1.5
481.05984	3.9
631.05756	7.3
745.03796	1.6
763.04297	1.8
765.05334	1.6
781.06140	1.5
933.06293	40.4
933.25220	2.2
934.06818	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	933.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00304	1.5
67.30492	1.1
69.85227	5.5
71.01350	1.1
75.61552	1.2
90.90254	1.1
95.01372	3.2
95.09657	1.0
95.70240	1.1
111.00863	4.5
117.03450	3.7
119.05046	1.3
121.02918	1.5
123.00867	4.0
125.02441	2.8
129.03409	1.4
131.05023	1.6
133.02936	2.2
135.04488	1.7
137.02449	1.6
138.54951	1.0
139.00400	7.1
140.48239	1.1
145.02943	7.0
147.04509	4.0
157.02917	3.2
159.04465	3.1
161.02434	6.2
163.00237	2.0
163.04012	5.8
164.98296	6.0
166.99794	1.6
169.01364	1.2
171.00815	1.6
173.02470	7.3
174.03188	1.1
175.03966	4.1
177.01921	2.8
178.99835	2.4
181.01439	1.8
185.02460	8.7
187.00354	2.6
187.03978	2.9
189.01894	9.3
190.02713	1.6
190.99744	1.1
191.03500	6.3
199.00339	2.7
201.01901	12.3
202.99774	1.7
203.03505	10.9
205.01364	1.1
211.03917	1.1
213.02005	5.1
214.02644	1.4
214.99733	3.3
215.03375	3.7
216.00598	1.6
217.01436	5.7
219.02922	2.8
221.00824	1.5
223.03897	1.8
225.05553	2.7
226.99844	8.6
229.01402	28.4
230.01923	3.2
231.03004	10.8
239.03568	1.5
241.01439	2.4
241.05153	1.3
242.99339	1.9
245.00879	8.4
247.02400	3.9
249.04013	5.2
251.03235	1.6
253.05090	1.2
254.99307	6.3
257.00937	18.3
258.01651	6.1
259.02417	8.2
261.00375	4.7
263.03229	1.3
267.02975	2.3
270.98837	3.4
273.00369	7.4
274.01178	2.1
275.01971	45.9
276.02277	2.3
279.02893	2.8
281.04550	2.1
282.98889	7.3
283.99683	11.0
285.00385	24.9
286.00708	1.7
286.98047	1.1
294.01416	1.1
295.02448	4.2
297.03909	2.6
298.98358	6.0
299.99097	8.4
300.99887	100.0
302.00131	7.1
306.01755	1.4
307.02304	2.5
309.04169	2.1
310.98291	4.9
311.01599	2.1
322.01230	2.6
323.01999	6.5
325.03455	3.9
335.01846	4.1
336.91278	1.3
339.01370	3.3
349.00131	1.2
351.01443	9.3
376.99319	1.3
379.00879	3.4
381.02319	2.4
395.00803	1.6
404.98773	2.4
405.04175	1.2
407.00162	5.2
408.00769	1.8
425.01483	5.8
426.01617	1.3
450.99402	89.2
451.99948	5.8
456.83273	1.1
481.06198	13.4
612.60107	1.3
626.09894	1.1
631.05457	12.7
761.26593	1.1
763.04126	1.8
933.06311	48.7
934.06378	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	931.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	10.1
71.54545	4.1
71.59635	4.0
89.02431	6.8
101.02461	10.1
113.02416	6.8
121.02946	9.0
163.11246	6.4
168.95171	4.2
179.05527	4.7
209.11813	100.0
227.12869	27.9
255.23279	56.2
268.33835	4.3
379.12454	27.7
397.13513	65.6
415.14587	13.0
589.25043	8.2
653.37427	17.3
845.48987	9.6
931.49994	61.3
932.50562	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	932.484
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52399	38.7
78.95910	31.2
89.02441	39.7
96.17554	21.8
209.11873	100.0
209.41373	20.3
211.13394	77.1
212.13718	55.3
231.70482	33.5
255.23306	33.7
277.21707	65.0
278.22046	57.8
384.32715	20.5
397.13431	57.1
398.13766	40.0
932.49646	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	1.2
69.22736	5.4
69.23173	5.4
95.01379	3.0
98.76974	1.3
101.79649	1.0
111.00899	2.7
117.03474	2.3
119.04953	2.0
120.95259	1.0
121.02888	1.2
123.00898	4.3
125.02456	4.4
129.03467	1.6
133.02916	2.2
137.02472	1.5
139.00391	4.0
145.02945	5.9
147.04517	3.6
157.02957	3.0
159.04510	3.6
161.02422	4.5
163.00371	1.8
163.04019	4.5
164.98291	2.7
165.01939	1.2
171.00870	1.5
173.02419	7.6
175.00235	1.6
175.03992	3.9
176.01089	1.6
177.01953	3.3
178.99867	2.0
181.01472	1.7
185.02420	7.7
187.00365	3.1
187.04045	2.0
189.01920	6.9
190.02719	1.8
191.03568	5.6
199.00311	2.2
201.01913	9.3
201.65364	1.3
202.13242	1.2
203.03508	7.4
205.01460	1.7
212.12088	1.2
213.01898	4.1
214.99818	2.0
215.03358	1.2
217.01378	6.6
219.03041	2.3
226.99904	5.0
228.00569	1.8
229.01393	22.6
230.01903	2.5
231.02971	8.0
241.01338	1.5
242.99307	3.3
245.00970	7.5
247.02419	3.3
249.03926	3.9
254.99330	2.2
257.00824	13.9
258.01648	5.7
259.02515	6.3
261.00406	4.4
270.98776	7.3
271.99252	1.4
273.00421	7.3
274.01111	2.6
275.01968	35.7
276.02319	2.1
279.02951	2.1
282.98813	3.1
283.99741	5.8
285.00385	14.0
295.02579	2.2
298.98364	7.5
299.01584	1.8
299.99139	8.2
300.99890	100.0
302.00305	3.9
307.02496	2.2
310.98193	2.5
311.01926	1.3
319.00726	1.4
323.02008	3.8
325.03506	2.5
335.01892	2.2
351.01492	3.8
379.00638	1.6
404.98669	1.3
407.00421	4.1
425.01459	3.4
432.98419	1.4
450.99432	48.0
451.99667	3.1
481.06137	3.7
613.04749	3.0
631.05945	8.5
751.04523	1.3
763.04236	1.3
933.06329	34.4
933.24811	2.3
934.06885	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	931.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	0.6
67.01884	0.5
71.01380	1.7
71.53426	0.6
79.01900	0.7
83.01392	1.3
89.51253	0.4
90.96917	0.5
95.01382	1.4
97.02902	0.7
101.02425	1.1
107.01401	3.5
108.02213	0.5
109.02934	1.7
111.00908	1.1
113.02508	0.5
116.17154	0.4
121.02928	1.3
123.00888	7.9
125.01540	0.6
125.02449	10.1
127.00348	0.5
133.02937	0.5
135.04530	0.7
136.98814	0.8
139.00400	2.4
139.03993	0.5
140.01099	2.1
141.01894	1.2
145.02997	0.9
151.00357	12.8
152.00700	0.6
153.01894	0.7
161.02415	1.1
163.00294	2.3
163.04071	0.7
168.00589	2.0
169.01414	12.7
171.00858	0.7
173.02374	0.5
175.35030	0.5
177.04016	1.0
178.99849	3.1
185.02332	0.4
189.01888	1.1
191.03481	0.4
191.05655	0.7
201.01822	1.0
203.03369	0.8
211.02315	0.8
211.04083	0.7
214.99800	0.5
215.03564	0.6
217.01355	1.0
218.01993	0.5
226.02831	0.7
226.99826	1.1
227.03510	1.7
229.01393	1.3
243.02994	3.5
245.00836	1.2
245.04602	0.8
254.02078	0.9
255.00143	0.7
255.02930	10.2
256.03543	0.6
270.98853	1.5
271.02399	18.1
272.02930	1.8
273.00330	1.0
273.04062	0.7
275.02078	0.6
283.02530	0.8
298.98361	3.5
299.01221	0.7
299.99127	1.7
300.02710	39.5
300.99887	7.5
301.03488	29.2
302.03769	1.4
318.54065	0.5
341.06824	0.6
407.00430	0.5
447.09280	67.1
448.09714	4.3
450.99411	3.4
451.09927	0.8
452.10220	0.5
483.02704	2.1
483.18683	100.0
484.19080	8.8
776.92358	0.6
895.03180	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	931.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
66.97076	1.0
69.03472	1.3
69.80857	3.1
69.81269	2.2
70.35921	1.0
73.50303	1.0
81.03461	2.1
83.01376	4.9
85.02957	2.7
93.03465	4.9
95.05034	1.6
95.89242	1.0
97.02955	4.6
108.02204	1.4
109.02953	20.9
121.02928	4.3
123.04528	15.2
125.02445	100.0
126.02771	2.1
133.02971	6.0
135.04518	3.7
137.02438	25.7
137.39063	0.9
138.03265	1.1
139.04008	2.9
143.04984	1.1
145.02948	1.2
147.04477	1.0
148.97328	1.0
149.02438	10.5
150.03209	1.6
151.03993	14.0
159.04501	3.7
161.02432	30.5
161.06044	3.4
162.03127	2.3
163.00359	3.6
163.03986	3.8
164.01138	6.8
165.01915	7.8
166.02698	4.2
167.03496	3.8
174.03229	2.2
175.04007	16.9
175.07559	2.0
176.01189	1.4
177.01929	6.9
177.05582	1.7
179.03505	5.4
187.04001	8.2
188.04572	2.4
189.05554	1.5
190.40958	1.0
191.03737	2.8
191.05602	31.6
192.00583	1.7
193.01242	1.0
199.04045	6.2
201.05582	2.7
202.06462	1.9
203.03549	2.3
203.07129	10.8
205.01430	2.5
205.05087	8.9
211.04001	1.9
213.05426	2.1
214.99861	1.1
215.03482	2.9
217.05058	3.8
221.08128	1.2
227.03423	1.7
227.07083	2.3
229.05096	3.9
241.05040	7.1
242.02315	1.4
242.05301	1.8
243.03055	5.3
245.04576	6.7
245.08174	16.6
247.06187	1.7
255.02979	10.8
256.03751	4.4
257.04468	2.8
269.04510	3.7
270.98685	1.4
271.06161	1.4
273.03900	5.5
281.04492	4.3
283.02451	2.9
285.04053	25.6
287.05615	12.5
289.07166	60.4
290.07446	3.8
297.04034	1.6
298.98285	1.6
299.05566	6.6
300.99863	4.6
329.08594	4.0
339.08838	7.9
353.08691	3.3
355.06784	2.2
363.09036	1.4
381.09439	1.7
407.07675	66.1
408.08035	6.5
425.08749	70.2
426.09036	7.1
451.10233	19.9
452.10931	1.6
465.10345	10.2
559.12476	2.3
577.13452	62.5
578.13605	7.5
632.48016	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	931.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	4.0
66.12616	1.8
67.40228	1.8
69.92120	1.6
71.01388	2.0
71.53356	2.4
71.53719	1.8
72.56738	2.0
75.43831	1.7
83.09874	1.7
95.01381	4.1
109.02961	2.1
111.00871	6.0
115.01889	2.1
117.03458	8.3
119.05029	10.9
121.03010	2.4
123.00846	4.5
125.02457	3.0
129.03476	3.1
133.02959	10.6
135.04486	2.7
137.02452	6.5
139.00359	7.3
143.01389	3.3
145.02942	25.9
147.00871	2.5
147.04514	5.5
157.02908	5.6
159.00870	2.0
159.04527	5.0
161.02434	19.8
163.00356	2.7
163.03976	13.4
164.98210	13.1
165.01907	3.1
169.01466	2.8
171.00883	18.1
172.01601	3.4
173.02414	21.9
175.03990	6.7
177.01926	5.2
178.99936	2.6
179.03514	4.2
185.02373	8.3
186.76115	2.2
187.00354	4.2
187.03964	2.2
189.01907	17.0
190.02582	2.5
191.03482	12.1
191.05382	3.3
195.04538	2.2
199.00368	16.8
200.01129	5.9
201.01907	27.5
203.03496	7.7
203.98360	2.0
207.04614	2.0
213.01935	10.8
214.99826	7.0
215.03412	3.4
216.00560	2.9
217.01430	30.0
219.02980	3.6
223.03973	2.6
226.99873	30.2
228.00499	4.6
229.01401	34.6
230.02023	3.7
231.02899	7.2
234.03780	1.9
239.03407	4.3
242.99384	9.1
243.99959	2.2
245.00885	38.4
247.02452	15.8
251.03458	3.0
253.01550	2.3
253.05086	2.0
254.99330	14.1
255.03217	1.9
257.00885	15.2
259.02411	5.7
261.00311	9.8
266.01974	2.3
267.02890	3.9
270.98883	25.3
271.01776	3.1
271.99554	2.3
273.00412	49.9
274.00824	3.0
275.01904	18.7
279.02869	5.7
282.98883	6.8
283.02188	3.2
283.99634	8.9
285.00458	21.2
285.03647	3.2
291.01355	8.7
293.00861	3.6
295.02542	9.2
297.04022	2.7
298.98334	60.7
299.01581	2.6
299.99054	13.4
300.99896	100.0
302.00269	4.3
307.02451	4.9
310.98291	4.5
311.01688	3.0
316.99539	4.4
321.00217	2.5
322.01309	2.0
323.01990	9.3
325.03442	4.5
327.01395	2.3
335.02020	2.8
336.99768	2.7
339.01263	4.8
348.99796	2.3
351.01309	9.5
364.99332	2.4
379.00909	6.4
381.02216	3.5
404.98862	2.9
407.00443	3.9
417.04395	2.5
425.01544	5.7
448.98041	2.3
450.99435	87.7
451.99673	7.2
461.03668	6.5
471.12961	3.8
551.05243	2.7
595.03534	2.8
611.02740	2.6
613.05304	3.3
839.03571	2.2
869.04840	2.5
895.02924	41.6
896.03235	3.5
913.03607	17.3
931.04517	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	931.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	0.9
68.28396	0.6
71.01368	2.6
81.03461	3.6
83.01389	2.6
83.25072	0.7
85.02941	2.2
89.02449	2.2
93.03445	2.4
95.01414	1.4
95.05043	1.9
97.02972	3.5
98.20631	1.9
99.04488	1.0
101.02444	1.5
105.03450	1.4
107.01398	0.7
107.05041	0.8
109.02940	13.3
111.21700	0.6
117.03493	0.7
119.03508	0.8
119.05027	0.8
121.02949	2.2
122.19875	0.7
123.00914	0.8
123.04528	6.4
125.02443	58.3
126.02735	0.9
133.02934	3.1
135.04509	1.4
137.02446	21.0
138.03227	4.8
139.03996	2.5
143.05026	1.2
145.02917	1.1
147.04538	1.1
149.02434	23.3
151.03981	6.6
159.04555	1.4
161.02437	17.0
161.06038	1.2
162.03127	1.3
163.00356	3.2
163.03983	2.7
164.01175	6.5
165.01936	8.9
166.02704	17.2
167.03496	11.3
169.01468	0.9
169.06615	0.8
171.04504	1.7
173.02393	1.9
173.06044	0.9
174.03235	1.9
175.03992	17.9
176.01143	5.0
177.01868	5.3
179.03537	2.9
185.06012	1.3
187.00424	1.1
187.04019	4.7
188.04773	1.3
189.01883	1.8
189.05486	1.5
191.03731	1.2
191.05588	20.8
192.00650	5.6
193.01401	3.5
197.06047	2.0
198.03168	2.9
199.03995	18.2
200.04539	1.0
201.01936	4.6
201.05489	0.9
202.06386	1.0
203.03458	0.9
203.07137	4.2
205.01503	1.1
205.05087	3.3
209.04477	0.9
211.03946	2.0
213.05547	3.8
214.02777	0.9
214.99879	1.2
215.03485	2.7
216.04134	1.0
217.01556	1.3
217.05034	15.8
219.02879	1.0
221.08029	1.0
223.04024	1.1
226.02710	1.2
226.99821	1.3
227.07146	1.5
229.01357	1.3
229.05048	2.5
241.05051	35.7
242.02109	1.9
242.05408	1.6
242.99376	1.0
243.00558	0.8
243.02948	7.2
245.00740	2.0
245.04596	2.2
245.08145	6.2
255.02980	4.4
256.03787	2.6
257.04446	2.2
259.99649	0.7
267.03040	1.5
269.04599	1.0
270.98727	1.8
273.00452	1.3
273.03870	1.6
275.01920	1.4
281.04559	2.3
285.04031	100.0
286.04370	6.5
287.05524	5.5
289.07172	25.1
289.09695	0.5
290.07468	0.9
295.02454	0.8
298.25763	0.7
298.98367	2.5
299.05609	2.6
299.99136	1.6
300.99866	10.1
302.00284	1.0
303.04926	1.4
329.08795	23.8
330.08981	0.9
339.07068	8.4
353.08795	2.4
355.06674	7.0
407.07663	23.5
408.08066	2.1
425.08774	29.6
426.09143	3.0
435.44763	0.7
450.99991	1.3
451.10312	9.4
465.10352	57.7
466.10571	4.5
467.10629	0.9
577.13434	26.6
578.13934	2.5
635.56799	0.8
807.82593	0.8
941.57544	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.6874
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24652	1.7
78.95899	0.3
100.89584	0.2
115.24942	0.2
125.02421	0.7
173.27699	0.2
198.62215	0.2
275.01956	0.3
300.99936	0.5
457.33350	0.5
471.34772	100.0
472.35126	11.5
473.35519	0.4
831.84833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45772	25.9
70.48964	40.4
70.49317	100.0
104.23853	28.6
209.11786	39.4
277.21799	51.5
278.22250	37.8
453.15384	31.8
523.11804	34.6
747.54340	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	1.1
71.01379	16.6
71.01778	0.8
72.99306	1.7
73.02951	2.7
74.74110	0.5
75.00868	0.8
83.01387	2.0
85.02953	3.3
87.00866	3.8
89.02445	12.9
95.01349	1.4
96.68246	0.6
97.02950	2.8
101.02435	11.4
109.02979	0.6
113.02446	6.9
115.03970	0.8
117.42814	0.6
119.03489	2.8
123.05981	0.6
125.02470	5.1
131.03496	0.6
133.82315	0.7
134.68568	0.6
141.01953	0.5
143.03519	1.8
158.12267	0.6
161.04543	2.9
167.03467	0.9
179.05605	2.8
183.13905	6.9
188.40117	0.6
189.03520	0.7
193.12360	1.9
211.13380	100.0
212.13762	4.2
217.07068	1.1
221.06680	1.1
235.08212	6.5
249.42567	0.6
253.09306	0.8
275.20029	0.7
277.21707	58.8
278.22064	3.4
287.07645	1.5
302.26706	0.6
305.08798	1.6
306.67090	0.6
323.09897	1.0
379.12357	10.2
397.13470	40.0
398.13855	2.4
415.14630	8.6
420.60443	0.6
439.45700	0.6
469.33081	1.3
491.07330	0.6
591.26453	5.7
609.27563	4.6
657.34900	1.7
675.35626	3.7
834.22321	0.7
869.48334	0.9
954.17871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.6719
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05013	0.9
71.52542	0.2
73.33770	0.2
88.98812	1.3
91.94759	0.3
94.96428	0.3
97.06568	0.4
108.45270	0.3
110.10756	0.2
110.52926	0.3
125.02447	0.3
139.63979	0.2
169.01398	0.3
209.11896	0.5
235.58354	0.2
277.21811	0.3
300.99738	0.4
395.33359	0.4
407.33197	0.8
409.31140	1.2
425.34006	0.6
439.32278	1.1
451.32175	9.7
452.32349	1.3
457.33640	1.5
469.33182	100.0
470.33502	11.7
471.34567	3.4
472.35074	0.5
546.14417	0.2
681.47046	0.3
768.56293	0.2
899.86389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81808	1.5
70.95432	4.0
71.01379	23.6
72.99305	2.5
73.02941	3.6
83.01380	3.6
85.02940	7.5
87.00881	7.8
88.98793	6.8
89.02457	20.3
90.02702	1.5
95.01402	1.6
97.02940	5.1
101.02441	22.6
105.31396	1.7
109.64962	1.8
111.04492	1.6
113.02456	12.3
119.03493	4.5
125.02436	12.0
143.03513	3.5
161.04541	5.9
179.05595	4.9
209.11815	100.0
210.12125	4.2
221.06642	2.6
235.08224	8.0
236.05128	1.7
277.21716	99.1
278.22037	5.6
287.07590	4.0
305.08826	4.3
373.94406	1.6
379.12454	25.9
397.13455	59.0
398.13910	3.7
415.14432	10.2
491.53787	1.6
589.24841	3.7
607.25861	4.9
675.35223	1.9
746.07770	1.6
778.09351	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	926.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95934	19.5
98.19773	33.6
101.02445	15.2
171.74295	16.0
186.90137	16.4
209.11783	27.7
229.41696	23.4
255.23232	20.1
378.30466	17.3
469.33472	100.0
470.33612	49.8
525.30426	17.6
544.06580	21.4
577.25677	19.8
617.38220	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	926.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95914	29.0
88.60995	18.1
98.20652	51.7
99.13040	17.2
101.56477	20.2
148.02014	18.8
179.97595	17.5
209.11842	57.6
246.46263	19.9
277.21729	26.6
321.92709	23.0
394.77325	18.0
411.85974	20.3
465.54092	19.1
467.31854	100.0
468.32275	28.5
594.24072	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	927.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00318	0.7
71.01377	1.4
75.20776	0.5
77.64063	0.5
83.01382	0.6
89.02457	0.8
89.53207	0.5
95.01321	0.5
101.02435	0.6
107.01375	3.0
108.02175	0.8
109.02972	0.9
113.02428	0.6
121.02953	0.7
123.00863	1.2
125.02448	9.7
135.00908	0.7
139.00352	0.5
140.44774	0.5
151.00352	8.6
161.02415	0.5
163.00316	1.2
168.00511	0.7
169.01427	11.4
175.93964	0.4
178.99852	2.8
189.01921	0.5
191.05641	0.6
207.83345	0.5
211.02386	0.8
221.04681	0.6
226.02647	0.5
227.03580	0.5
243.03004	3.8
245.04402	0.6
254.02315	0.9
255.00229	0.6
255.02959	13.4
256.03241	1.1
271.02460	22.4
272.02972	1.9
283.02362	1.2
300.02734	60.2
301.03464	26.7
302.03708	1.2
313.05792	2.4
390.30447	0.5
463.08783	13.3
464.09293	1.0
493.10043	1.2
578.02557	0.6
615.09875	100.0
616.10144	13.4
827.24500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	17.6
73.02912	7.9
73.60170	5.0
73.79229	5.4
78.95917	6.1
82.47802	5.1
83.05001	5.2
85.02940	7.1
87.00893	6.9
89.02428	14.2
91.23659	5.3
96.95984	6.7
98.20674	12.0
101.02441	10.2
107.44944	5.4
110.15907	4.8
116.92820	8.7
121.02940	7.3
142.97820	5.4
165.01860	9.9
209.11839	100.0
210.12157	6.4
217.01793	4.9
227.12872	11.6
229.64000	6.9
255.23277	49.0
345.92020	5.7
379.12216	12.5
397.13449	49.6
415.14615	10.6
442.70755	5.6
693.64709	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	925.298
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	0.7
69.03458	0.9
71.01378	1.9
71.53270	0.5
73.27621	0.4
79.01884	0.9
81.06854	0.5
84.42547	0.5
85.02937	0.7
89.38228	0.5
95.01403	1.0
97.02953	0.6
101.02428	0.7
107.01392	3.1
111.00887	0.9
113.02466	1.5
116.82132	0.5
122.08623	0.6
123.00877	10.1
125.02448	19.7
126.02766	0.7
133.02933	0.8
134.03732	12.9
135.04568	2.3
137.02434	1.0
139.00356	2.7
140.01086	1.0
141.01842	0.6
147.04501	1.3
148.05292	1.4
149.06065	2.3
151.00362	6.4
153.01947	1.1
160.01627	4.2
161.02446	3.2
168.00623	2.5
169.01418	28.9
170.01775	1.0
175.03998	6.5
176.04770	5.0
177.01945	1.1
177.05370	0.7
178.02724	1.9
179.03513	2.5
181.01244	0.6
183.02989	1.2
183.10277	1.4
191.07114	6.4
193.01363	1.0
193.05029	12.0
207.06590	2.0
211.02480	3.6
217.05069	0.5
220.03632	0.8
221.04526	1.0
227.03447	0.7
235.06114	9.1
236.06387	0.6
253.03452	1.2
265.07117	2.0
281.06577	0.7
284.03119	0.8
285.03931	1.2
295.08194	4.2
300.02853	0.8
300.99838	1.1
313.05673	1.3
323.07718	1.5
331.06787	0.9
383.09668	0.6
387.30865	0.5
447.09448	1.4
461.06927	0.6
476.27185	0.6
489.74307	0.5
507.11401	100.0
508.11728	10.5
675.37646	0.5
725.02789	0.6
803.10571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	14.8
71.52322	4.4
81.03479	3.6
85.02950	5.6
87.00864	7.3
89.02419	10.2
94.15325	2.6
97.02943	8.9
99.00880	15.3
101.02441	10.7
104.16511	3.3
104.17211	3.0
105.15599	3.4
109.06585	6.6
113.02447	8.0
116.92844	8.6
125.02445	6.5
125.09683	6.8
160.19122	3.3
162.28995	3.6
163.11288	9.1
164.27794	3.2
181.12344	19.6
199.13524	3.5
207.10236	53.5
209.11809	6.2
225.11310	68.6
243.12392	17.2
255.23248	64.6
336.03894	3.5
379.12643	4.6
387.09253	3.3
397.13382	16.8
398.13251	3.2
498.88269	3.4
515.07574	3.2
605.24615	16.5
623.25342	10.6
723.95044	3.4
861.48462	100.0
862.48596	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	921.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39607	2.2
71.05020	8.3
72.05320	0.3
76.00184	0.3
83.04997	1.1
85.06560	0.5
97.06538	0.9
123.08170	0.5
137.09697	0.4
144.10219	0.3
205.15974	4.6
206.16205	0.3
300.99869	0.3
307.20578	0.3
307.24026	0.3
321.22369	1.3
321.25977	0.3
323.23871	0.8
337.25284	1.7
339.26904	1.0
342.77484	0.2
351.26846	1.1
353.24872	0.4
355.26398	1.1
367.26364	0.4
369.27930	2.3
379.29977	1.4
387.30472	0.3
391.26486	0.5
393.27872	0.7
401.26794	0.5
405.31741	0.3
407.29630	1.6
407.34369	0.3
409.31284	1.8
410.32001	0.3
413.26868	0.9
419.29492	0.8
421.31482	1.5
423.32669	19.1
424.33121	1.7
437.30582	1.5
439.32123	5.3
440.32092	0.4
441.33691	100.0
442.34012	11.5
455.31644	3.5
456.32083	0.4
459.34634	1.4
467.31717	1.0
473.32727	7.4
474.33057	1.0
485.32693	44.8
486.33096	5.6
487.32840	0.3
503.33768	22.1
504.34262	2.5
775.73108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	12.3
72.05920	1.4
72.99338	1.3
73.02979	1.7
79.36557	1.2
82.33455	1.2
83.05031	2.0
85.02934	3.3
86.94882	1.2
87.00896	4.5
88.17870	1.2
89.02447	15.3
97.02950	2.2
101.02431	12.7
113.02443	6.3
119.03490	5.1
125.02424	6.2
128.47647	1.5
131.03438	1.4
143.03490	2.4
161.04562	3.0
162.04634	1.1
163.11290	1.6
175.46426	1.3
179.05644	5.7
209.11821	100.0
210.12158	5.6
221.06572	1.6
227.12880	27.9
228.13254	1.1
235.08165	5.4
277.21713	60.2
278.22061	5.1
287.07687	3.4
291.23468	1.4
305.08820	2.0
323.09827	2.8
374.76929	1.3
379.12427	10.5
397.13474	74.9
398.13879	4.8
415.14548	15.3
472.08264	1.4
589.24731	4.6
607.25995	5.1
657.35004	3.5
675.35791	6.0
691.74316	1.5
921.46259	26.7
921.62769	2.2
922.47766	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	25.7
71.53175	9.8
72.56406	5.9
77.83380	5.3
78.95902	9.3
84.01734	7.4
84.97611	6.0
85.02932	7.0
89.02433	17.9
103.18879	5.8
103.25214	6.8
113.02450	8.8
124.09517	6.5
125.02457	9.9
179.05658	7.0
209.11815	100.0
227.12868	28.2
277.21756	60.9
278.21997	6.7
300.99973	6.1
304.30521	6.8
350.37289	6.6
378.84702	7.0
379.12546	15.5
397.13556	61.5
398.13779	8.5
415.14493	12.4
507.79971	7.1
607.26044	8.9
675.35095	8.5
883.47467	12.2
885.47681	15.0
917.10565	7.1
921.45605	51.9
922.45013	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	921.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08801	22.8
71.01384	21.6
78.95902	13.2
87.00919	6.2
89.02459	17.2
94.70486	5.9
96.72303	6.0
101.02451	12.5
111.15126	6.5
113.02470	9.9
124.86376	6.4
125.02462	8.3
139.08919	5.9
161.04424	6.5
163.11255	8.1
163.41620	6.3
169.01280	7.9
179.05513	7.3
209.11806	100.0
225.11316	10.5
227.12906	38.1
235.08336	6.4
277.21744	65.4
278.21927	6.8
300.99969	7.8
315.10556	6.3
320.64117	6.2
379.12253	7.4
397.13531	79.3
415.14664	13.9
559.45123	8.5
675.35986	9.3
758.97589	6.2
883.46466	10.5
885.48547	10.7
921.46008	58.8
922.45642	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	921.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	8.5
71.90301	0.8
82.80574	0.9
83.05025	3.5
85.02943	2.6
87.00864	2.4
89.02448	9.0
95.01337	0.9
97.02959	1.2
98.93547	0.9
101.02449	9.8
113.02442	5.3
119.03497	4.0
125.02416	5.0
143.03494	2.6
148.42830	1.0
161.04590	3.2
163.11276	3.0
165.12901	1.8
179.05641	7.0
194.60739	1.0
209.11818	100.0
210.12111	3.6
221.06769	1.5
227.12898	23.3
235.08298	3.4
251.12903	1.2
277.21732	45.7
277.24799	2.2
278.21994	2.6
287.07666	2.4
305.08774	1.7
323.09888	2.9
379.12390	10.8
380.12820	1.2
397.13501	51.0
398.13889	2.6
415.14459	11.2
472.35889	0.9
561.60815	1.1
589.24506	4.4
607.26099	6.9
657.34857	2.3
675.36194	3.0
867.47198	1.7
921.45917	21.7
922.46094	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	919.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32649	14.5
69.33060	7.0
71.01376	8.8
71.33959	2.5
78.95901	4.0
85.02931	2.9
87.00883	5.5
88.00401	4.9
88.98804	100.0
89.02441	16.9
96.95996	10.0
99.00859	5.0
101.02425	10.3
109.06573	10.2
112.98804	3.0
113.02458	7.2
115.00384	4.4
119.03496	2.7
125.02399	4.1
142.99852	5.1
163.11273	6.6
165.09099	2.7
171.43256	2.8
174.01689	8.1
175.02431	6.2
179.05563	5.9
181.12328	2.9
201.11334	11.2
203.28239	2.8
207.10219	34.2
209.11826	6.9
211.13406	7.2
225.11427	13.7
235.08170	5.9
255.23296	7.7
277.21701	42.9
278.22006	4.1
300.99863	3.4
379.12396	10.6
397.13461	34.3
398.13895	3.5
415.14505	7.3
605.24438	9.0
623.25433	4.8
707.43024	3.4
865.44995	3.7
883.46887	38.0
884.47339	5.4
919.45544	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	919.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	1.7
71.01381	100.0
71.53408	2.8
72.99313	1.9
73.02934	6.2
78.95898	3.1
83.01369	3.9
83.05000	1.6
85.02943	6.7
87.00862	6.6
89.02447	17.7
95.01392	3.9
96.96007	2.5
97.02949	4.7
99.00866	3.6
101.02438	17.0
109.06591	9.1
113.02453	9.4
119.03478	6.0
123.00868	2.4
125.02434	10.1
125.09689	5.0
127.11268	4.8
131.03499	1.6
143.03476	2.8
155.10777	2.7
161.04541	4.0
163.11253	8.3
169.01346	3.2
171.10262	67.2
172.10646	2.3
179.05647	3.7
181.12262	2.5
187.74501	1.6
199.09744	17.2
199.13441	3.1
201.11313	21.8
207.10263	24.7
207.96303	2.0
221.06671	2.7
225.11263	22.2
235.08154	5.3
243.12338	4.5
254.36810	1.6
277.21719	59.9
278.22058	5.4
300.99844	6.6
305.08804	2.1
368.01068	1.7
379.12122	2.8
397.13553	30.6
415.14667	11.8
597.23712	2.7
605.24323	2.1
623.25470	4.6
857.45605	3.8
883.47070	9.4
901.47327	3.5
919.49194	15.8
920.48541	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	919.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	1.3
69.19325	8.8
69.19735	2.8
71.01381	100.0
72.99314	2.7
73.02950	4.1
78.95901	1.5
80.96513	1.5
81.03455	2.5
83.01373	2.1
83.05011	2.2
85.02959	6.5
87.00877	6.4
89.02447	21.0
95.01369	1.8
97.02922	4.8
99.00884	3.9
101.02436	16.9
109.06570	6.0
111.67416	1.2
113.02435	11.9
119.03488	5.3
125.02451	9.5
125.09698	2.8
127.11279	2.7
127.58425	1.4
143.03468	4.4
151.04008	1.5
152.99585	1.4
161.04482	3.6
163.11240	4.0
169.01338	1.9
171.10266	51.7
172.10544	2.1
179.05576	4.4
181.12383	2.3
199.09726	12.4
199.13304	1.3
201.11308	14.4
207.10234	20.2
221.06584	2.5
225.11308	13.8
226.11537	1.7
235.08244	7.5
243.12375	3.5
275.01990	1.4
277.21710	62.5
278.21942	5.3
287.07831	1.7
300.99969	2.5
302.00293	1.1
305.08786	2.5
372.32452	1.3
379.12216	4.5
397.08316	2.3
397.13470	45.0
398.13815	2.0
415.14520	11.1
471.34653	2.9
605.24481	2.4
623.25085	2.1
782.49384	1.3
857.43658	2.4
883.46942	9.5
884.46747	2.0
901.47668	3.3
919.48730	13.6
920.49115	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	917.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23574	3.8
69.23994	6.4
71.01379	12.6
72.99310	1.4
73.02962	1.1
78.86578	1.0
78.95921	2.1
81.03454	1.8
83.01392	1.1
83.05016	4.0
85.02943	2.9
87.00863	3.6
89.02447	6.7
95.01376	1.1
97.02935	1.9
98.64277	1.0
101.02444	7.8
102.01891	1.0
113.02446	6.6
119.03484	3.4
123.00847	1.0
125.02449	6.6
125.06160	1.1
129.01912	1.4
143.03499	2.4
158.81139	1.0
161.04526	2.5
163.11256	3.5
165.12825	2.1
166.84120	1.0
179.05579	3.7
180.25650	1.0
191.10756	1.0
193.82210	1.0
209.11816	100.0
210.12230	3.0
221.06520	1.6
227.12871	11.5
227.99844	1.1
232.63237	1.0
235.08173	4.5
277.21695	44.1
278.22092	1.6
287.07852	1.4
305.08792	2.4
323.09732	2.0
379.12473	8.6
383.84766	1.0
397.13474	34.1
398.13705	2.6
415.14603	7.4
589.24988	1.6
606.33112	1.1
607.26221	3.3
617.35596	1.1
632.09119	1.4
636.83899	1.1
654.65771	1.2
661.50378	1.3
675.36017	1.3
917.49042	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	919.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32168	23.9
71.01389	19.3
72.99337	4.3
75.17932	3.3
78.95864	6.3
83.01373	3.9
85.02935	4.3
87.00856	4.2
88.98267	6.4
88.98808	100.0
89.02458	24.3
96.95995	7.4
97.02957	5.2
101.02454	16.3
109.06554	18.3
113.02449	11.5
119.03493	3.5
125.02430	10.5
129.83334	3.1
143.03552	3.9
161.04558	6.0
163.11278	11.3
171.10326	3.4
179.05650	8.3
181.12410	4.5
201.11299	7.3
203.31273	3.3
207.10262	67.9
208.10367	3.3
209.11835	12.2
221.06612	4.0
225.11298	32.1
235.08252	7.5
255.23187	5.1
277.21759	60.6
278.22037	3.6
301.00027	5.3
323.09851	3.8
371.55139	2.8
379.12527	10.5
397.13467	80.8
398.13693	8.4
415.14478	17.4
605.24359	10.8
653.36743	3.9
657.35138	4.8
675.35925	7.9
789.55872	3.3
883.46912	84.0
884.47382	14.3
919.44580	29.2
920.47552	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	919.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	22.5
71.20184	12.0
71.53422	15.7
78.95893	14.4
88.98824	24.6
89.02431	23.9
96.96024	21.3
101.02419	20.4
113.02446	14.5
122.54420	10.1
125.02408	12.4
170.86069	11.3
183.07480	10.5
187.13411	10.3
201.11313	12.7
207.10181	45.0
209.11792	27.7
217.83237	11.3
225.11292	62.3
243.12468	13.8
243.62570	10.6
260.21161	13.1
264.92719	12.6
277.21722	75.5
301.00055	15.5
325.94305	11.8
365.30905	11.3
397.13559	23.7
602.11182	13.1
605.24707	26.6
623.25494	25.8
629.39093	12.0
708.73328	10.9
883.47333	100.0
884.47491	22.0
919.44830	81.5
920.45398	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	917.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81222	0.5
69.03440	1.2
69.44284	1.3
69.44703	2.0
71.01379	16.7
72.99326	1.5
73.02951	2.3
75.00876	0.5
80.02672	1.8
81.03466	1.2
83.01390	2.0
83.05029	6.6
84.02146	1.0
85.02950	5.1
87.00874	2.9
89.02444	14.3
95.01389	1.4
95.05034	1.2
96.96010	2.1
97.02940	4.1
97.06626	0.6
99.00861	1.1
101.02438	12.2
109.06550	0.6
111.08159	5.2
113.02457	6.1
119.03505	3.5
123.04536	0.5
125.02444	5.6
125.06100	1.0
127.11322	0.7
135.08157	0.8
143.03496	2.2
153.12912	0.8
161.04506	3.0
163.11278	6.4
165.12846	3.9
169.12346	2.2
171.10281	3.0
179.05592	3.6
181.05190	0.5
181.12338	1.5
183.14037	0.7
191.10796	1.5
197.11819	29.0
198.12137	1.6
199.13411	1.3
207.10313	0.7
209.11815	100.0
210.12146	4.6
211.13362	4.8
217.07277	0.6
221.06685	1.8
223.13342	0.8
225.11244	0.9
225.14876	0.5
227.12872	14.3
228.13222	0.8
235.08183	4.2
247.20703	1.0
253.09407	1.1
263.20166	1.6
265.18088	1.1
273.18530	1.1
287.07788	1.3
291.19662	18.3
292.20007	0.9
293.21298	1.5
300.99802	1.1
305.08820	1.4
309.20691	76.7
310.21072	6.0
312.40561	0.6
323.09995	0.9
377.49356	0.5
379.12515	3.3
397.13483	44.0
398.13904	2.2
415.14554	17.0
416.15137	0.7
470.80447	0.6
485.32837	1.0
607.26184	2.6
689.33447	1.2
707.34723	1.7
857.06238	0.6
870.84485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02028	0.9
69.03434	0.8
69.29560	6.9
71.01385	13.5
72.99308	1.4
73.02934	1.9
75.00867	1.5
81.03446	2.1
83.01346	1.7
83.05016	4.9
85.02951	4.5
85.60348	0.7
85.90936	0.7
87.00865	3.3
89.02441	11.5
95.01380	1.1
95.05015	1.0
97.02930	2.3
98.20672	1.5
99.00913	1.1
101.02448	12.0
104.93249	0.9
111.04512	0.8
112.98781	0.8
113.02450	5.7
119.03498	3.2
125.02435	4.8
129.01932	1.3
131.03482	1.1
133.05060	1.0
134.20694	0.7
143.03503	2.3
159.15759	0.7
161.04564	1.8
163.11266	3.6
165.12808	2.3
167.03464	0.9
179.05579	3.0
191.10738	1.4
209.11816	100.0
210.12204	4.1
211.13359	2.1
220.47563	0.7
221.06599	1.1
227.12891	12.0
228.13023	0.9
235.08257	4.5
253.09332	1.0
259.15469	1.8
277.21716	51.5
278.22070	3.9
283.52377	0.8
287.07776	1.9
305.08676	2.1
323.09946	1.6
379.12463	8.0
397.13464	41.3
398.13791	1.7
415.14581	8.0
416.14676	0.9
417.41574	0.7
589.25116	1.9
589.74072	0.8
600.68329	0.9
607.26312	2.3
675.36017	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	915.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45778	2.6
71.01382	1.3
71.23060	0.4
78.45926	0.4
81.39211	0.4
85.02926	0.7
95.01396	1.4
98.20679	0.7
99.00845	0.6
108.02173	24.2
109.02961	10.3
111.85325	0.4
117.03380	0.4
123.00880	1.4
125.02462	0.6
133.02924	0.7
135.04547	0.6
137.02504	0.6
141.95651	0.5
145.02979	1.2
151.04027	1.4
152.01143	52.5
153.01741	1.6
157.02922	0.4
161.02457	1.1
163.03986	2.0
169.01381	0.5
173.02496	1.1
175.04057	0.8
177.01915	0.4
179.03473	0.5
189.01941	1.2
191.03477	1.8
201.01958	1.3
214.99907	0.5
217.01451	1.9
219.02951	1.2
229.01395	1.7
239.96478	0.4
241.07161	3.1
242.99310	0.8
245.00911	1.3
247.02499	3.3
263.01938	0.5
270.98740	1.4
273.00357	2.8
285.06329	0.6
291.01147	0.6
298.98291	2.2
300.99884	2.6
351.27094	0.4
361.94736	0.4
417.10352	100.0
418.10739	6.7
451.05515	0.8
453.06741	1.5
479.04639	9.2
480.04846	0.6
703.82056	0.5
771.52087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00295	1.0
69.18285	4.1
69.18710	3.9
101.78296	0.9
107.01371	2.7
109.02963	1.3
121.02947	1.5
123.00964	0.9
125.02454	7.1
137.36177	0.8
151.00365	7.6
163.00343	2.5
169.01442	8.5
178.08748	0.9
178.99835	3.3
226.02554	1.1
227.03566	0.9
229.01427	0.9
243.02979	3.5
255.02998	12.1
255.63879	0.8
271.02432	21.4
272.02960	1.8
273.04044	0.9
300.02728	54.7
300.99854	11.0
301.03458	29.6
302.00299	0.8
302.03851	0.9
313.05426	1.9
343.04703	1.0
463.08755	14.1
464.09027	1.3
556.39288	0.9
615.09857	100.0
616.10162	11.5
671.54724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.152
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06516	0.2
69.44779	1.7
98.20599	0.4
107.01395	0.3
109.02936	0.4
111.21373	0.2
117.03473	0.4
121.02933	0.3
125.02394	0.3
129.03474	0.3
143.06598	0.2
145.02924	0.8
145.51176	0.2
147.04449	0.3
151.00359	1.9
157.02885	0.5
161.02411	0.4
163.00325	0.5
163.03935	0.5
173.02451	1.2
174.74582	0.3
178.99844	0.7
185.02432	2.4
189.01897	0.3
199.00331	0.3
200.00998	0.3
201.01918	1.8
211.04018	0.5
217.01436	0.3
226.99872	0.5
228.00682	0.3
229.01382	4.2
230.39714	0.2
243.03030	0.4
244.00008	0.3
245.00847	1.5
254.99278	0.3
255.02962	1.8
257.00928	1.3
271.02441	3.3
283.99637	3.0
299.99115	4.2
300.02771	7.4
300.99890	100.0
301.03302	7.0
302.00192	6.0
302.03442	0.3
433.04214	1.5
477.06689	2.7
609.14545	18.3
610.14978	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	911.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	0.4
71.01380	1.3
73.22538	0.4
79.01900	0.7
83.01392	0.6
85.02918	0.5
93.03412	0.6
95.01402	0.5
98.20676	0.8
101.02460	0.4
107.01383	3.0
113.02458	1.1
117.03445	1.7
119.05020	11.3
121.02948	1.4
123.00881	6.7
123.04447	0.5
125.02443	15.5
126.02774	0.7
132.05797	0.5
133.06578	2.9
136.98770	0.5
139.00359	2.2
140.01097	0.8
141.01926	0.8
145.02946	11.1
146.03342	0.7
151.00360	6.1
153.01913	1.0
153.36334	0.4
159.04494	0.4
161.02426	0.9
161.04805	0.6
161.06085	8.4
162.03328	0.4
163.04010	13.5
165.01942	0.4
168.00630	1.3
169.01414	24.1
170.01700	0.5
177.05554	3.0
178.99831	0.9
183.02931	0.4
193.01392	0.6
205.05051	9.0
211.02472	3.3
227.03400	0.5
235.06076	3.4
243.03003	1.5
245.66614	0.4
253.03575	0.8
254.77083	0.4
255.03012	3.0
265.07138	8.4
271.02429	6.7
271.05090	0.6
272.03006	0.6
299.99402	0.8
300.02722	11.7
300.99957	0.9
301.03439	7.3
302.03732	0.7
307.08505	0.5
313.05667	1.4
325.45172	0.5
331.06744	0.7
417.08252	1.5
432.13980	0.4
433.07858	12.7
434.07898	1.1
477.10355	100.0
478.10739	9.6
493.13101	0.6
551.09137	0.4
747.56335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02373	0.6
65.00323	1.2
70.08304	2.0
71.01375	0.7
81.03424	0.5
83.01395	1.0
85.02939	0.9
93.03442	1.5
95.01364	0.7
107.01384	2.2
108.02174	29.9
109.02960	16.9
110.03287	0.5
117.03459	9.5
118.03831	0.4
119.05034	3.6
121.02959	2.6
123.00931	0.5
123.04518	0.4
125.02474	0.6
131.31133	0.5
135.00842	1.3
135.04543	0.5
137.02440	1.3
145.02951	36.2
146.03317	1.2
148.01642	0.6
151.00369	10.0
151.04088	0.4
152.01146	44.7
153.01941	16.4
163.00371	2.1
163.03989	3.7
178.99855	5.8
183.04488	0.8
187.04019	0.7
190.99719	0.4
191.60686	0.4
207.02534	0.5
211.03983	1.2
213.05519	0.9
216.03915	0.4
226.02641	0.4
227.03561	2.4
229.04971	0.9
243.02959	5.2
245.04535	1.7
247.44698	0.5
254.02249	1.0
255.02968	15.8
256.03363	1.0
269.03085	0.4
271.02457	29.5
272.02921	2.7
273.03928	1.1
283.02475	1.4
294.60034	0.5
299.01993	0.7
300.02737	56.8
301.03479	43.3
302.03888	2.2
307.08279	1.0
315.07220	17.2
417.11716	0.9
447.09280	100.0
448.09625	8.9
461.10870	97.9
461.24252	0.7
462.11221	8.9
701.36365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43684	1.7
69.03426	2.1
71.01382	100.0
72.99306	2.9
73.02948	27.2
75.00864	2.6
83.01389	13.8
85.02951	44.7
87.00867	4.4
89.02448	12.8
95.01380	7.4
96.95999	8.3
97.02950	2.1
99.00894	11.7
101.02445	59.3
111.00888	2.4
113.02455	41.8
119.03516	3.5
119.15678	2.0
125.02456	5.1
129.01950	2.3
133.02974	3.4
137.02397	3.2
143.03435	4.5
159.02939	9.7
161.02457	13.3
161.04559	31.6
195.85301	2.1
198.52911	1.8
209.11911	3.2
315.18094	77.3
316.18381	6.1
317.21295	4.2
335.19940	2.0
345.30142	6.1
357.19174	64.0
358.19467	6.6
401.18143	4.3
507.21994	13.0
507.34958	64.9
508.34991	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	905.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	15.4
71.51579	4.8
78.95915	10.0
80.91671	7.2
84.72419	5.1
85.16516	5.1
87.00851	6.4
89.02426	21.0
101.02422	14.3
113.02457	7.7
119.03487	6.3
121.01234	5.1
121.02922	8.4
125.02454	8.1
135.45805	5.1
187.56187	5.6
209.11800	16.0
211.13385	100.0
239.40613	6.9
255.23145	8.4
276.56696	5.8
277.21735	68.2
352.29193	6.6
376.10687	6.7
379.12384	14.4
397.13535	55.2
398.13672	6.6
415.14606	7.6
591.26239	7.5
609.26514	7.7
657.34839	7.4
675.36023	8.8
750.64081	6.4
821.38257	8.4
869.48773	6.2
905.47229	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42751	12.3
69.43172	11.6
71.01380	93.4
72.99294	3.9
73.02943	24.4
83.01384	14.6
85.02952	44.3
87.00903	5.6
89.02436	14.8
95.01418	4.1
97.02937	3.8
98.20638	5.9
99.00876	15.0
101.01807	3.7
101.02442	52.8
111.07939	3.0
113.02446	37.5
125.02450	5.7
133.02905	10.6
135.04494	11.7
159.02892	5.2
161.02463	23.8
161.04543	35.9
175.04088	3.2
175.52831	3.9
177.05592	4.2
179.03491	12.4
181.50362	3.2
195.06819	2.9
221.04491	4.7
251.05623	5.3
255.23216	3.5
281.06622	6.5
315.18127	100.0
316.18658	6.1
341.08755	6.8
357.19153	42.2
358.19376	3.8
503.19214	30.2
503.33380	9.9
504.19775	7.8
555.64795	3.8
776.89594	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	903.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	2.2
70.53926	3.0
71.01380	25.2
71.01777	1.2
72.99308	2.0
73.02950	3.9
76.20135	0.8
77.46527	0.7
80.02675	0.8
81.03448	1.4
83.01392	2.8
83.05017	4.0
85.02959	5.2
85.24626	0.9
87.00871	5.4
89.02444	22.1
93.03445	0.8
95.01410	2.0
95.05035	1.3
97.02948	3.8
99.00881	2.1
101.02448	18.3
111.00890	1.0
111.04517	1.1
113.02446	10.0
119.03511	5.8
123.00916	1.1
125.02441	10.5
125.09701	3.3
127.11298	4.7
137.09679	1.0
138.98059	1.0
143.03487	3.8
149.04538	0.8
155.10780	1.6
161.04585	4.6
163.11256	3.6
164.08470	1.0
165.09219	2.8
165.12814	2.0
169.01419	2.4
171.10265	5.5
179.05641	5.3
199.09717	1.6
201.11319	85.6
202.11652	3.6
207.10312	1.2
209.11818	100.0
210.12132	5.8
221.06593	1.0
222.44482	0.8
225.11333	2.4
227.12881	14.6
229.01582	1.2
235.08170	7.8
242.75591	0.9
253.09209	1.2
275.01907	1.2
277.21713	76.6
278.22046	7.6
287.07651	2.7
300.99994	3.7
305.08691	3.7
323.09860	1.8
379.12482	10.9
397.13474	72.2
398.13800	5.4
399.14041	1.0
403.65231	1.0
415.14529	17.5
416.14716	2.1
581.24579	2.8
589.24939	1.9
599.25360	2.9
607.25977	1.1
657.35199	1.4
667.64709	1.1
675.36041	4.4
873.72345	1.0
903.47369	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	903.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99796	0.7
69.03465	1.4
70.03615	1.4
70.04003	1.5
71.01381	24.1
72.99328	1.5
73.02943	2.9
78.95884	0.9
80.02670	1.3
81.03452	3.0
83.01395	2.4
83.05013	4.4
85.02962	5.7
87.00852	5.6
89.02439	16.8
90.54166	0.8
95.01363	2.6
95.04971	1.0
97.02941	3.7
98.20573	0.9
99.00861	1.8
101.02441	17.4
109.02914	1.0
109.06653	0.7
111.04525	0.9
113.02443	10.0
119.03486	4.6
121.02892	0.7
123.00925	1.1
125.02447	10.3
125.09720	2.2
127.11286	3.4
129.18208	0.7
131.03467	0.8
135.08156	1.1
137.09721	1.0
139.11234	0.9
141.01921	0.9
143.03465	3.4
155.10728	1.4
161.04533	3.6
163.11252	2.9
165.09201	1.9
165.12823	2.0
169.01450	4.0
170.17215	0.7
171.10281	5.4
179.05606	5.0
181.12262	1.2
183.10188	0.8
197.11862	0.8
199.09727	1.7
201.11311	82.1
202.11588	3.9
209.11807	100.0
210.12157	4.3
221.06703	1.9
225.11266	1.8
227.12897	12.0
235.08249	7.4
263.07764	1.0
268.27493	0.8
275.01968	1.3
277.21701	66.4
278.22134	6.3
287.07776	2.7
300.99789	3.1
305.08786	2.3
323.09567	1.7
369.37204	0.8
379.12463	10.2
380.12323	0.8
397.13489	55.5
398.13788	3.8
399.13907	1.0
415.14581	14.6
461.32791	0.9
469.33133	1.2
581.24384	2.7
589.25061	2.0
599.25458	2.5
607.26031	2.4
675.36066	3.5
903.49640	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	903.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09628	1.1
71.01377	6.5
73.02904	1.2
81.03434	1.6
83.01387	2.5
83.05036	3.0
84.40474	1.3
85.02957	2.8
87.00895	2.6
89.02443	7.3
101.02425	6.1
113.02441	3.6
117.45942	1.3
119.03505	3.6
125.02444	5.3
141.39473	1.3
149.02449	1.3
150.06850	1.9
161.02382	1.4
163.11232	4.0
165.12892	1.9
169.01392	3.9
173.13379	2.6
179.03253	1.2
179.05614	2.9
209.11816	100.0
210.12103	4.3
227.12871	32.4
228.13266	1.4
235.08252	2.4
253.14348	6.6
282.19119	1.3
300.99942	1.3
305.08829	1.3
313.05536	1.9
352.56018	1.2
354.56735	1.3
379.12534	7.7
397.13507	35.5
415.14716	6.9
521.85779	1.5
589.25238	8.1
590.25470	2.0
607.26337	13.0
693.42041	1.3
799.37213	6.2
859.43536	4.4
903.23975	1.7
903.40228	24.4
904.41010	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	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	1.9
69.20046	11.6
71.01383	22.5
71.05020	3.0
72.99314	1.7
73.02937	3.7
78.95899	1.4
80.96513	3.7
81.03443	1.3
83.01385	1.6
85.02937	4.9
86.96040	1.2
87.00871	4.3
89.02440	11.8
89.88407	1.0
95.01359	1.7
97.02950	7.3
97.06602	1.0
98.20662	2.4
99.00883	10.1
101.02440	11.3
109.06588	1.8
110.03764	1.3
113.02456	6.5
113.74708	1.1
119.03491	2.1
125.02417	6.7
125.09708	5.9
127.11282	2.2
143.03482	1.4
161.04536	2.8
163.11311	8.2
171.10252	10.7
179.05562	2.1
181.12347	13.3
197.11798	1.4
199.13387	15.0
201.11171	2.6
207.10249	35.2
208.10521	1.6
221.06606	3.9
225.11304	53.8
226.11713	2.5
235.08055	1.8
243.12375	16.7
275.01636	1.3
277.21713	37.0
278.22083	2.1
300.99918	4.4
379.12015	2.9
397.13553	14.7
398.14185	1.1
415.14502	4.2
450.14056	1.2
463.03235	1.1
471.34268	1.8
519.30145	1.0
602.28882	1.1
605.24628	3.0
623.25366	7.3
883.46783	14.0
884.47119	2.5
901.47931	100.0
902.47992	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	903.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	1.7
69.03454	1.9
69.18259	0.5
69.25562	3.6
69.25964	0.9
71.01378	3.2
72.99299	0.9
73.02946	0.5
79.01893	1.8
81.03458	1.1
83.01383	1.6
85.02965	0.7
87.00848	0.9
93.03482	2.4
95.01393	6.7
97.02980	2.2
101.02450	1.5
107.01385	7.4
107.05044	0.6
109.02969	1.3
110.00121	0.5
111.00892	2.5
113.02473	1.4
117.03483	0.6
119.05022	0.8
121.02964	1.3
123.00885	19.8
123.04523	1.1
124.01696	2.7
125.02446	85.5
126.02781	2.0
127.00401	1.1
130.32541	0.5
133.03017	0.8
135.04517	1.3
136.98799	2.0
137.02458	2.0
138.03279	0.5
139.00369	5.5
139.04041	0.8
140.01176	4.8
140.02132	0.9
141.01962	1.1
143.03477	0.7
145.02950	1.6
149.02467	1.7
151.00395	5.0
151.04028	1.7
153.01907	1.4
154.99883	0.5
157.06531	0.5
159.04445	0.6
161.02475	4.9
163.00217	0.5
163.04013	1.4
164.01297	0.6
165.01907	1.8
166.02592	0.6
166.99840	5.9
167.03482	1.7
168.00644	9.6
169.01418	100.0
170.01749	2.7
173.02463	0.7
173.04431	0.5
175.00351	0.5
175.04004	0.7
177.01968	2.1
179.03494	7.3
181.01462	0.7
187.04039	0.8
189.01897	1.4
189.05537	0.7
190.02736	0.7
191.03571	3.2
193.01419	4.9
193.05037	1.4
195.03076	0.6
203.03514	1.3
205.01405	1.8
205.05060	1.3
207.02992	3.4
211.02437	6.4
215.03455	0.7
221.00899	2.0
221.04556	3.7
223.02499	1.1
227.03484	2.0
229.05017	1.0
233.04535	2.0
235.02461	4.6
237.03955	0.9
241.03522	1.8
251.05672	1.8
253.03505	0.7
255.02931	5.2
257.04562	0.8
257.55753	0.6
267.05081	0.8
277.03586	1.5
279.05051	2.9
283.02411	2.1
284.03287	3.0
285.03958	3.8
295.04590	8.3
296.04941	0.6
297.06152	0.9
300.99936	1.0
313.05670	19.4
314.06155	0.6
341.06485	0.6
403.06747	5.1
421.07449	0.8
435.10437	0.6
447.05637	6.6
448.06354	1.0
449.07388	2.6
449.13632	0.5
465.06708	28.8
466.06900	2.3
513.38116	0.5
514.99481	0.5
563.80933	0.5
573.08759	4.9
617.07825	71.1
618.08130	7.9
733.11078	2.8
751.11615	5.6
752.11877	0.8
903.12653	11.3
904.12537	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67281	3.2
70.67623	1.3
71.01374	11.3
75.00870	5.8
78.95895	3.4
81.03452	1.7
83.01389	1.9
83.05027	3.1
84.04982	1.8
85.02962	1.6
87.00890	2.3
89.02448	11.4
101.02442	10.5
113.02477	4.9
119.03506	5.1
125.02482	3.0
141.01747	1.6
143.03490	4.3
152.99631	1.9
161.04556	4.5
163.11246	2.2
165.12820	2.2
179.05638	5.6
209.11819	100.0
210.12177	4.3
227.12885	23.2
228.13213	2.0
235.08243	5.6
255.23311	40.1
256.23645	2.5
277.21619	2.1
279.23233	2.0
287.08020	1.7
304.45813	1.8
323.09909	2.7
379.12350	15.2
397.13516	55.7
398.13641	3.0
415.14664	11.1
478.58090	1.6
589.25098	10.1
607.25836	9.0
635.36420	3.4
653.37299	4.6
691.37384	2.2
845.48987	3.1
899.47675	37.5
900.47998	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	900.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98541	44.8
66.34179	24.1
69.92065	100.0
72.22188	25.6
75.28436	21.7
98.20555	27.1
137.76094	25.5
169.04695	25.4
216.02135	25.5
605.44946	26.6
777.86334	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	45.9
71.53509	35.3
80.96531	22.2
87.74372	19.4
89.02453	31.3
113.00121	19.7
115.00307	24.1
200.52623	21.5
211.45311	22.0
213.83417	20.2
277.21811	68.6
278.21970	39.4
315.88672	20.4
319.33411	22.5
323.42166	22.0
356.88922	23.8
471.34772	69.9
900.47235	100.0
931.10938	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	14.4
78.95929	9.4
79.97852	8.4
96.96040	9.7
98.19926	31.2
99.92632	12.2
116.92857	100.0
134.41521	8.7
138.14680	7.2
149.56624	8.0
231.81941	8.3
535.46149	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	901.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	1.3
70.12791	3.1
71.01382	17.5
71.05003	3.0
72.99298	1.8
73.02916	3.2
79.95718	1.7
80.96522	5.4
83.01382	1.4
85.02952	4.7
87.00858	3.5
89.02444	11.0
94.98060	1.2
95.01398	1.3
95.04998	1.0
96.95993	4.2
97.02958	6.6
97.06586	1.4
99.00878	12.5
101.02450	10.2
109.06581	1.2
113.02457	5.2
115.42187	0.8
119.03487	3.5
123.08114	1.5
125.02439	3.7
125.09715	5.5
127.03976	0.7
131.86549	0.7
142.02719	1.5
143.03421	0.9
152.26334	0.8
152.98610	0.9
161.04509	1.8
163.11276	7.9
164.11647	0.8
171.10248	7.2
179.05534	1.7
181.12341	12.3
197.11836	1.4
199.09779	0.8
199.13403	8.1
201.11270	1.4
202.91078	0.8
207.08360	1.7
207.10265	27.9
210.30148	0.8
221.06569	1.7
225.00677	1.1
225.11307	35.0
226.11598	1.0
235.08165	2.2
243.12379	8.7
244.90398	0.7
265.14700	3.6
266.14969	1.7
277.21710	40.3
278.21967	3.7
300.99649	1.1
305.08801	1.3
379.12143	1.5
397.13501	9.0
415.14474	2.5
471.34671	6.9
472.35303	1.1
605.24402	3.0
623.25403	2.7
883.46759	11.6
884.47632	2.6
901.47882	100.0
902.48242	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	899.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94586	0.6
67.51610	0.6
69.15195	3.7
69.15618	2.1
79.85846	0.6
93.03468	0.7
98.20669	1.4
107.01389	1.1
108.02165	0.8
109.02953	15.6
109.03697	1.0
119.04994	0.8
121.02958	1.7
123.04543	8.4
125.02435	1.4
133.02963	2.5
135.00867	1.0
145.02942	1.4
146.98105	0.6
147.04512	2.5
149.02449	0.6
151.00356	3.8
151.04018	4.6
161.02422	6.0
163.00342	1.2
163.04030	1.3
169.01408	0.8
176.01021	0.7
176.79227	0.6
177.01918	18.2
178.02219	0.7
178.99857	1.6
187.03963	1.4
189.01926	37.3
190.02682	8.2
191.03473	7.6
203.03546	5.0
211.03951	1.2
216.00623	5.8
217.01399	28.1
218.02003	2.2
219.02965	12.0
227.03391	0.9
229.05070	0.6
231.02971	10.0
232.03479	1.1
233.04585	1.1
243.02965	1.6
245.08218	1.0
255.02963	6.6
269.46649	0.6
271.02457	12.0
272.02838	1.0
273.03705	0.8
281.04498	1.4
283.02527	0.7
284.03308	0.9
285.04095	0.8
289.07175	1.6
297.07458	0.9
299.05569	1.5
300.02744	20.6
301.00073	0.8
301.03421	16.0
302.03647	1.7
303.03986	0.9
323.05582	2.1
333.28766	0.7
341.06631	80.7
342.06985	5.4
447.09256	23.3
448.09619	4.3
449.09723	2.0
450.10077	1.4
451.10318	100.0
452.10712	9.2
585.33044	0.7
772.60211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	5.0
69.23341	4.5
69.23763	2.4
69.95728	0.6
71.01384	17.1
71.05003	2.1
72.99295	1.9
73.02940	1.8
80.96529	1.0
83.01382	2.2
83.05016	1.2
85.02945	2.9
87.00861	2.7
89.02448	9.1
91.47088	0.8
95.01402	1.2
97.02950	2.4
97.06605	0.8
101.02428	9.8
113.02448	3.7
119.03493	2.1
125.02435	2.6
125.09698	2.3
143.03467	0.9
151.11264	2.7
153.12848	1.4
161.04565	1.7
161.09731	3.1
169.01434	0.8
175.02409	1.0
179.05644	1.1
179.10773	4.9
197.11826	58.8
198.12146	2.7
211.13370	1.5
221.06647	2.5
223.09683	1.6
230.13907	1.2
241.10788	3.8
265.14749	2.0
277.21719	22.7
278.21991	1.1
321.92804	0.9
327.22037	0.8
397.13535	2.0
471.34802	2.1
777.65961	0.9
899.46417	100.0
900.46704	20.8
900.63416	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	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12688	0.5
69.03455	4.5
69.25579	4.6
71.01382	14.4
71.05009	1.1
72.99310	1.3
73.02942	2.8
75.00900	0.5
78.95897	0.6
81.03451	1.4
83.01372	1.3
83.05013	0.7
85.02943	4.2
87.00863	3.0
89.02439	9.2
95.01376	1.4
97.02923	2.4
97.06567	0.7
99.00873	1.4
101.02431	8.9
111.00834	0.8
111.04530	1.0
113.02435	2.7
115.00335	0.9
119.03473	1.3
123.08179	0.9
125.02470	2.7
125.09695	2.0
143.03464	1.1
151.11241	2.7
153.12852	1.2
161.04541	0.6
161.09714	2.9
169.12289	0.6
171.10237	0.6
172.90486	0.6
175.02444	1.8
176.56929	0.5
179.05606	0.8
179.10767	6.1
180.11195	0.8
197.11830	38.4
198.12111	1.5
211.13411	3.4
219.04254	0.5
221.06668	1.3
223.09851	0.8
235.08177	0.9
241.10774	1.5
241.14410	1.5
253.09262	1.0
253.14226	0.7
277.21713	36.9
278.21872	2.7
300.99713	1.0
379.12177	0.5
397.13452	2.9
415.14548	1.2
471.34808	1.7
737.45282	0.9
781.43817	1.1
863.87366	0.7
881.44000	0.6
899.46429	100.0
900.28638	1.1
900.46619	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	895.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26063	2.2
69.92499	11.1
71.01389	12.9
71.49493	2.3
73.02946	4.7
75.00902	2.1
77.62323	2.4
78.95910	2.7
81.03450	2.5
83.05014	5.8
85.02946	3.0
85.17256	2.2
87.00860	6.0
88.98807	6.7
89.02444	18.3
100.00018	2.2
101.02438	12.3
112.52273	2.3
113.02442	4.5
119.03529	3.2
125.02454	6.3
153.45424	2.8
159.06604	2.3
161.04541	3.5
163.11270	4.6
179.05481	2.9
209.11816	100.0
210.12212	3.6
227.12943	10.9
235.08179	5.8
255.23267	55.0
256.23770	4.5
264.41269	2.2
277.21552	2.5
279.23364	3.4
340.46875	2.5
350.21841	2.4
379.12357	11.7
380.29486	2.6
397.13467	46.8
398.13562	2.9
401.34018	2.3
415.14441	5.1
455.35010	4.4
653.37030	3.7
703.44574	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	898.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27317	12.7
71.01396	82.0
71.53932	13.9
73.02933	26.6
83.01408	21.1
83.38783	13.9
85.02951	36.1
93.03474	15.9
95.01379	17.4
101.02448	57.2
111.00846	15.5
113.02455	25.7
116.92851	20.1
125.02445	12.4
143.03474	15.8
169.01364	13.0
209.11786	27.0
282.57782	11.6
300.99893	20.2
416.67868	13.6
738.69501	17.6
749.44495	25.0
750.45288	100.0
768.46423	88.3
784.52283	13.9
810.47717	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	895.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.5
69.03426	0.4
69.27156	1.7
69.27582	1.2
71.01387	1.5
73.02945	0.4
79.01899	0.7
81.03477	0.4
85.02942	0.7
89.02446	0.6
93.03437	0.9
95.01376	0.9
97.02924	0.4
101.02420	0.6
107.01402	2.6
111.00882	0.4
113.02448	1.5
117.03473	1.5
119.05023	12.5
120.05315	0.4
121.02944	0.5
123.00002	0.5
123.00887	8.0
123.04514	0.8
124.01695	0.4
125.02441	17.5
126.02688	0.3
131.05025	0.7
132.05853	0.7
133.06598	3.9
135.04539	0.6
137.02431	0.5
139.00365	2.7
139.03963	0.3
140.01132	1.1
141.01907	0.8
145.02953	11.9
145.06758	0.4
146.03287	0.4
151.00359	5.4
153.01880	0.5
153.05571	0.6
159.04555	0.5
161.02478	2.1
161.06065	8.4
162.06381	0.4
163.04008	14.5
165.01866	0.4
167.03574	0.4
168.00603	2.0
168.28345	0.3
169.01414	28.5
170.01746	0.9
175.03963	0.4
177.05531	2.9
179.03569	0.3
181.01480	0.5
183.79785	0.3
187.03925	0.7
189.02061	0.3
193.01407	0.8
194.05032	0.3
205.05054	9.6
206.05333	0.5
211.02498	4.3
235.06116	3.8
253.03496	0.9
265.07172	9.5
266.07565	0.5
300.02621	0.9
301.03433	0.3
313.05740	1.7
331.06564	1.2
417.08182	0.9
477.10303	100.0
478.10657	9.8
505.10007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81446	0.7
68.99831	0.8
69.03427	0.8
71.01379	15.7
72.34972	0.8
72.99315	1.6
73.02942	2.8
78.95898	9.0
80.02686	1.0
81.03448	1.8
83.01376	1.5
83.05016	4.5
85.02934	2.9
87.00860	3.0
89.02441	12.6
95.01345	1.0
95.05016	0.9
97.02942	2.9
99.43349	0.8
100.36646	0.9
101.02444	13.1
113.02454	8.3
119.03493	3.4
125.02447	5.7
126.45591	0.8
143.03455	2.6
144.49995	0.9
152.99568	2.3
161.04532	3.4
163.11298	5.0
165.12831	2.2
167.03560	0.9
179.05602	3.4
209.11816	100.0
210.12196	4.0
216.64604	0.8
217.07132	1.2
221.06554	1.1
227.12865	13.9
229.48181	0.9
235.08136	5.5
255.23256	1.7
283.26404	58.3
284.26791	4.3
287.07657	2.3
305.08829	2.0
379.12390	7.6
393.64276	0.9
397.13501	43.1
398.13773	2.0
415.14380	8.3
416.21420	1.0
584.93878	0.8
609.58954	1.1
753.39545	1.6
820.83154	0.9
891.41040	1.7
892.41821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49088	11.1
71.01390	31.5
72.90928	12.8
72.91320	10.9
78.44926	12.8
78.95921	17.2
89.02456	15.7
101.02476	16.2
109.31178	13.0
113.02456	23.2
125.02451	15.1
171.10242	100.0
172.10614	21.9
173.10733	18.3
229.30705	11.5
277.21722	53.9
278.22037	52.0
279.22391	21.4
297.47290	13.2
301.00052	21.7
397.13461	18.5
398.13806	26.3
399.14114	17.6
905.96185	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	892.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98534	17.3
71.01386	23.4
86.48907	13.3
101.02445	15.7
113.02440	18.0
125.02415	20.1
171.10207	100.0
172.10567	35.7
209.11830	13.7
240.50887	14.6
277.21609	43.6
278.22052	40.6
279.22305	19.4
374.33395	13.8
383.54810	13.5
397.13452	27.1
399.14023	20.9
617.16016	16.9
853.26056	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	895.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.7
67.13663	0.4
68.36240	0.4
69.26191	0.9
69.26617	2.4
83.01385	0.7
91.62179	0.4
98.20685	0.9
107.01405	2.5
108.02178	0.7
109.02946	1.6
121.02959	1.6
148.01649	0.4
149.02417	0.4
151.00357	9.9
163.00386	2.5
178.99869	4.5
183.04520	0.5
201.82356	0.4
209.14684	0.4
211.04024	0.8
227.03555	2.0
229.05150	0.7
236.71187	0.4
239.03471	0.5
243.02977	4.4
245.04617	1.2
254.02277	1.0
254.52228	0.4
255.02991	15.1
256.03458	1.1
271.02472	27.6
272.02979	2.0
273.03992	1.4
283.02460	1.2
284.03299	1.0
285.04120	0.5
287.22888	0.4
299.02170	0.7
300.02737	55.0
301.03491	42.1
302.03961	2.0
385.69440	0.4
423.64072	0.4
447.09290	100.0
448.09610	10.2
467.94971	0.4
471.72318	0.4
491.19614	0.4
582.78351	0.5
803.69421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	2.3
69.03445	1.3
71.01380	15.7
72.99314	1.7
73.02934	1.6
73.79362	0.6
78.95913	0.7
80.50656	0.6
83.01398	1.8
85.02945	4.5
87.00867	4.2
89.02448	15.2
92.63929	0.6
95.01381	1.7
97.02960	2.5
99.00851	1.2
101.02447	11.9
101.38470	0.6
101.53580	0.7
112.95158	0.7
113.02444	6.2
116.92847	1.1
119.03512	3.5
121.03035	0.6
125.02447	8.4
125.09731	1.5
127.11295	1.6
139.04021	0.9
143.03510	2.1
161.04562	2.6
171.10271	100.0
171.64142	0.7
172.10597	4.7
179.05560	3.3
199.06178	1.6
209.11827	4.6
210.12221	2.3
211.12265	0.8
217.07118	1.3
221.06697	1.5
227.12793	1.0
235.08232	4.9
253.09212	0.7
259.08160	1.3
277.21729	55.5
278.22089	5.2
279.23380	2.6
280.23764	1.8
287.07834	2.1
305.08826	2.2
323.09821	1.1
360.06882	0.7
379.12463	15.3
397.13495	42.8
398.13879	4.1
415.14575	7.5
551.23462	3.6
569.24652	3.7
577.77045	0.8
621.13245	0.8
657.35010	1.1
675.35870	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	889.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.4
64.06063	0.5
64.92086	0.6
69.03450	1.2
71.01378	16.4
72.99294	1.1
73.02943	2.5
75.00864	0.6
81.03456	1.0
83.01393	1.7
85.02945	4.3
87.00872	5.8
89.02444	15.3
95.01411	1.3
95.90488	0.5
97.02946	3.4
98.19874	1.5
98.72453	0.6
99.00902	0.8
101.02435	13.0
113.02448	7.6
116.92864	0.7
119.03510	4.0
121.02898	0.9
124.01598	0.6
125.02441	8.0
125.09742	0.9
127.11309	2.3
131.03458	0.6
133.05006	0.7
139.04018	1.2
143.03427	3.5
161.04507	3.7
171.10266	100.0
172.10568	3.0
179.05626	3.1
199.06073	1.1
209.11900	0.7
216.62100	0.6
217.07130	1.4
221.06671	1.4
229.26176	0.7
235.08241	7.2
245.06738	0.6
253.09293	1.1
259.08188	1.2
277.21719	73.7
278.22025	5.3
287.07629	3.0
305.08948	3.1
323.09863	1.0
379.12439	17.9
380.12949	0.7
397.13489	49.8
398.13800	3.7
415.14578	8.5
551.23291	3.7
569.24500	2.1
652.94788	0.7
657.34863	1.7
675.35913	2.7
889.47968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.84186	0.1
62.98524	0.1
69.74936	0.4
69.75336	0.3
71.01383	0.2
78.95944	0.1
79.95724	0.1
80.96144	0.1
80.96513	0.6
85.02909	0.1
89.02468	0.1
94.98092	0.2
101.02490	0.1
108.53391	0.1
113.67488	0.1
128.90190	0.3
129.01958	0.2
166.70090	0.1
176.90884	0.1
196.56770	0.1
209.11832	0.2
210.12186	0.1
219.18953	0.1
225.00751	0.1
227.13187	0.2
228.91270	0.1
240.81401	0.1
277.21622	0.2
279.23300	0.1
353.78781	0.1
377.89725	0.1
544.57227	0.1
886.48596	0.2
887.49127	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	887.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00033	1.0
65.00324	5.0
69.62029	3.1
69.62441	3.3
74.45447	0.8
83.01374	2.3
92.48636	0.8
107.01395	7.4
108.02184	1.4
109.02946	1.4
121.02956	1.2
124.01754	0.9
133.02962	3.3
134.03728	1.0
148.01700	1.1
151.00365	29.6
160.01646	4.2
161.02428	4.0
164.01096	0.9
169.01433	1.6
171.04471	1.9
175.00317	2.8
175.03995	3.0
178.99834	5.5
179.03448	1.6
193.05165	1.4
199.04042	8.1
201.02002	1.5
203.03520	1.5
215.03458	3.0
226.02669	2.0
227.03490	6.9
229.25053	1.0
242.02188	1.2
243.02957	8.5
254.02185	1.1
255.03017	3.9
271.02463	89.6
272.02826	6.9
283.02408	1.9
284.03128	1.5
285.04037	1.5
299.01953	100.0
300.02655	39.3
301.03503	63.8
302.03918	4.3
313.03650	1.5
315.05075	9.4
323.07639	5.2
417.08298	1.0
479.42584	1.0
489.10165	1.6
505.09793	12.4
506.10455	1.3
517.09644	2.4
638.13055	9.9
639.13525	70.7
640.13892	12.8
843.19800	45.2
843.35986	1.5
844.19989	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	885.4847
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98828	35.5
62.98468	0.7
68.99809	0.8
69.03457	0.9
71.00949	1.2
71.01370	22.3
71.53250	0.7
72.99300	1.7
73.02950	2.3
73.16868	0.8
80.96512	1.9
83.01389	2.5
83.05011	1.4
85.02932	5.4
87.00861	3.3
89.02446	15.7
95.01338	1.4
97.02952	2.9
99.00889	1.5
101.02446	12.6
111.08177	1.0
113.02454	7.5
113.70039	0.7
119.03485	2.9
119.21773	0.8
119.42900	0.7
121.93369	0.8
125.02403	3.7
135.65851	0.7
143.03520	1.4
161.04495	2.0
163.11217	0.7
165.12862	7.1
179.05554	1.3
183.13896	48.2
184.14230	2.2
196.17154	0.8
207.10358	1.1
209.11832	6.6
221.06712	2.5
225.11293	1.2
227.12859	3.5
235.08168	2.1
253.09196	1.3
277.21716	50.4
278.21991	4.4
379.12305	1.5
397.13480	13.7
415.14389	3.0
607.26038	1.9
625.26788	1.5
885.48486	100.0
886.48792	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	885.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	4.6
62.94604	0.5
69.03452	1.4
69.22976	0.7
69.42915	3.1
69.43320	1.3
71.01383	22.6
72.99307	2.0
73.02952	2.9
80.96506	1.5
81.03474	0.9
83.01369	2.7
83.05045	0.7
85.02953	4.8
85.19792	0.5
85.90607	0.6
87.00871	4.4
89.02445	17.3
91.03982	0.7
95.01391	1.9
95.09048	0.6
97.02975	3.4
99.00872	1.4
101.02446	15.2
109.06612	0.8
111.08124	0.9
113.01726	0.7
113.02451	6.8
119.03514	3.5
125.02450	4.4
127.84165	0.7
131.03474	0.9
143.03491	1.2
161.04532	2.7
163.11331	1.3
165.12875	6.2
168.22319	0.6
179.05589	3.1
183.13895	71.7
184.14153	4.1
191.10692	0.9
199.13458	0.7
200.63763	0.8
207.10260	1.9
209.11861	10.4
221.06653	2.9
227.12901	6.8
235.08200	4.0
253.09210	0.7
277.21713	35.7
278.22095	3.4
305.08716	1.3
368.59930	0.6
373.75433	0.6
379.12396	2.5
397.13528	15.4
415.14587	4.0
477.46918	0.7
599.77527	0.7
607.26086	2.3
625.27026	2.6
866.71539	0.7
867.47040	0.8
885.48505	100.0
886.31128	1.0
886.48645	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	885.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.3
69.03454	0.8
71.01381	16.3
72.01736	0.2
72.99310	1.2
73.02940	2.7
75.00849	0.5
80.02681	0.8
81.03455	1.8
83.01376	1.7
83.05025	4.6
84.02164	0.7
85.02945	3.9
85.95483	0.2
87.00877	3.7
89.02444	12.1
91.03990	0.3
93.03426	0.3
95.01398	1.2
95.05019	0.8
97.02951	2.7
97.06545	0.3
99.00854	1.3
99.04552	0.3
100.64265	0.2
101.02440	11.1
102.23679	0.2
109.02923	0.4
111.00858	0.3
111.04480	0.5
113.02451	6.6
117.37896	0.2
119.03501	3.0
125.02444	5.6
125.06059	0.4
127.11236	0.2
131.03477	0.6
133.05063	0.6
135.08154	0.6
139.03995	0.5
141.01920	0.3
143.03500	2.6
145.05070	0.3
149.04541	0.5
161.04565	3.2
163.11278	4.2
165.12843	2.5
167.03453	0.7
169.05025	0.3
179.05598	3.2
181.12361	0.6
191.10754	0.9
199.06110	0.5
209.11813	100.0
210.12144	4.1
217.07158	0.8
221.06622	1.2
227.12877	11.7
228.13257	0.5
229.60178	0.3
235.08191	4.9
235.10396	0.4
245.06714	0.2
251.12917	0.4
253.09294	0.9
259.08240	0.4
263.07776	0.5
277.21704	50.4
278.22073	3.6
287.07782	1.7
291.23328	0.4
305.08777	1.8
319.22922	0.3
323.09827	1.0
344.47736	0.2
379.12418	6.4
380.12881	0.3
397.13492	35.3
398.13849	2.1
415.08978	0.4
415.14514	8.3
416.14902	0.8
470.93881	0.2
589.24963	0.6
603.15869	0.2
607.25720	1.0
675.35938	0.6
846.25061	0.2
885.48340	0.2
895.17584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.01385	7.0
75.00872	1.1
78.95902	1.3
79.95743	1.1
80.96499	2.4
83.01379	1.8
83.05001	1.0
85.02945	3.0
89.02445	4.4
95.05006	1.3
97.02944	2.2
101.02445	4.8
109.06583	5.6
113.02463	2.8
119.03532	1.1
125.02440	2.5
126.90453	9.7
128.03511	1.2
136.05247	1.0
143.03510	1.2
161.04530	2.0
163.11234	2.9
171.10239	4.7
183.13844	1.6
192.73521	1.1
192.87686	1.2
199.61035	1.0
207.10268	16.4
209.11844	1.7
211.13412	3.4
225.11317	10.7
229.14412	2.5
229.34555	1.1
235.08258	6.2
253.09216	6.5
277.21710	35.6
278.22034	2.8
279.23270	1.7
291.19876	1.6
302.42804	1.0
309.20593	4.6
327.21713	17.2
328.22037	1.7
397.13562	9.2
415.14160	1.9
545.29883	1.9
706.43610	1.4
869.86572	1.2
883.46204	10.9
884.47125	3.7
902.04077	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	885.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.3
69.03447	0.8
69.34445	1.4
70.55413	0.2
71.01381	12.8
71.05007	0.3
72.99312	1.1
73.02941	1.9
75.00853	0.2
80.02663	1.3
81.03441	2.1
83.01376	1.5
83.05024	5.4
84.02160	0.7
85.02950	3.1
86.00146	0.2
87.00875	3.7
87.04485	0.2
89.02443	11.0
89.69866	0.2
90.19440	0.2
91.04029	0.2
93.03467	0.3
95.01378	1.2
95.05007	0.7
97.02942	2.1
97.06612	0.2
99.00877	0.7
99.04556	0.3
99.23947	0.2
101.02436	9.3
102.09216	0.2
109.02991	0.3
109.06569	0.5
111.00848	0.3
111.04520	0.5
113.02441	6.1
119.03503	2.9
121.02986	0.3
121.72009	0.2
123.00893	0.2
124.01619	0.2
125.02444	4.5
125.06046	0.5
125.09688	0.2
127.07619	0.2
131.03479	0.7
133.05098	0.4
135.08162	0.7
139.04007	0.5
141.01939	0.2
143.03497	2.3
145.05072	0.2
147.11836	0.3
149.04565	0.3
161.04543	2.9
163.11284	4.4
164.11546	0.2
165.12833	2.3
167.03502	0.3
179.05589	3.4
181.12325	0.6
185.04515	0.2
191.10730	0.9
199.06113	0.5
209.11812	100.0
210.12157	4.5
217.07108	0.7
221.06696	1.3
223.13615	0.3
225.11209	0.3
227.12869	9.9
228.13138	0.5
233.22853	0.2
235.08209	4.2
245.06693	0.3
251.12886	0.9
253.09215	1.0
259.08231	0.4
263.07742	0.6
277.21701	41.0
278.22061	3.0
284.24808	0.2
287.07693	1.4
291.23218	0.2
305.08743	1.4
323.09662	1.2
325.10962	0.2
379.12479	5.6
380.12836	0.3
397.13470	28.8
398.13803	1.6
415.14551	7.6
416.14871	0.7
440.94135	0.2
508.71338	0.2
589.24982	0.5
607.25897	1.2
617.71045	0.2
675.35999	0.3
705.13019	0.2
881.03064	0.2
885.48029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	7.6
69.03442	1.4
70.13950	0.9
71.01379	25.8
71.05013	3.0
72.99294	2.4
73.02942	4.5
75.00877	1.4
78.95905	1.3
79.74500	0.8
81.03452	3.7
82.01609	0.9
83.01373	2.9
83.05022	1.9
85.02957	5.1
87.00874	7.3
87.64305	0.8
89.02445	16.1
89.55850	0.8
93.03372	0.9
95.01360	2.8
95.05043	1.5
97.02953	15.5
97.06559	2.8
98.19857	2.1
98.83726	0.9
99.00272	1.5
99.00880	24.0
101.02441	15.3
106.04234	1.0
107.05043	1.0
109.06586	15.2
110.03710	2.0
111.04504	1.4
112.98815	1.1
113.02444	8.4
119.03483	3.5
119.62347	0.9
123.04515	1.7
123.08145	1.5
125.02433	9.8
125.09726	7.6
135.08153	3.8
136.05246	2.9
136.73817	0.8
139.04062	1.0
141.01909	1.7
142.02686	3.6
142.03673	0.8
143.03482	3.3
158.59662	0.9
161.04536	4.0
161.09708	1.8
163.11284	20.0
171.10223	1.0
175.02333	1.0
175.81789	0.9
179.03175	0.9
179.05557	3.0
179.10736	1.2
181.12349	18.3
182.12578	1.3
189.09268	1.3
199.13306	2.7
201.11458	1.1
207.10245	95.5
208.10619	4.1
209.11795	2.5
211.13423	2.6
212.13611	0.9
221.06569	2.5
225.11310	100.0
226.11655	5.0
235.08305	6.0
243.12349	27.5
253.09152	1.0
263.07712	2.3
277.21707	78.6
278.14035	0.8
278.22086	6.0
287.07684	2.0
299.15009	1.1
300.99692	1.7
305.08844	1.7
327.21545	1.2
379.12494	4.7
397.13501	26.2
398.13531	1.9
415.14490	7.4
460.36447	1.0
587.23151	1.2
605.24414	17.7
606.25201	1.4
623.25330	13.5
624.26300	1.8
642.59900	0.9
865.45923	1.3
883.46912	84.0
884.47034	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	883.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	18.2
64.43172	0.5
69.03456	1.5
69.42879	1.4
69.43286	2.7
71.01382	25.7
72.99314	2.1
73.02946	3.9
78.95908	0.9
80.02686	0.9
81.03477	3.8
83.01409	2.6
83.05026	2.0
84.02133	0.6
85.02944	6.8
85.22281	0.6
87.00879	6.3
89.02446	19.6
93.03466	1.1
95.01430	2.7
95.05026	1.3
97.02950	10.4
98.20652	1.1
99.00878	4.3
101.02441	17.2
107.05027	1.2
109.02991	0.7
109.06593	36.3
110.03751	1.5
110.06904	0.7
111.00885	0.9
111.04531	1.0
113.02444	9.8
119.03497	5.3
121.06586	3.0
123.04523	0.6
125.02454	7.7
125.09737	0.6
135.08150	3.5
136.05327	2.5
141.01952	1.8
142.02754	2.7
143.03499	3.2
145.10231	1.0
149.04561	0.7
161.04541	3.8
161.09689	1.9
161.57549	0.7
163.11279	19.9
164.11693	0.8
175.02422	0.6
179.05626	5.8
179.10727	0.6
181.12340	5.9
184.87323	0.7
189.09142	2.8
201.11414	1.3
207.10255	100.0
208.10571	5.5
209.11815	5.9
211.13391	1.2
217.07100	1.2
221.06665	3.6
225.11320	49.5
226.11652	2.0
231.33315	0.6
235.08191	5.8
243.12366	1.7
253.09261	1.3
255.23199	0.9
256.23669	0.7
263.07736	1.2
277.21710	59.8
278.22064	5.6
281.14001	0.7
287.07632	1.9
290.68054	0.7
299.14944	1.5
300.99792	0.7
305.08746	2.0
307.15955	0.6
323.09698	1.2
379.12393	6.0
397.13492	38.8
398.13916	3.1
403.10587	0.6
415.14517	13.3
416.14886	1.4
443.19235	0.7
587.22980	1.1
605.24493	7.4
606.24768	0.8
623.25629	8.4
624.25635	0.9
654.03778	0.6
865.45691	1.3
883.46918	45.7
884.47424	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	883.469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	16.2
65.32703	0.7
69.03454	2.1
69.70259	0.6
71.01379	28.7
72.99306	2.4
73.02952	3.8
75.00871	1.1
78.37583	0.5
78.95895	0.9
80.02680	1.3
81.03460	3.5
83.01394	4.4
83.01804	0.7
83.05023	3.1
85.02951	5.5
87.00887	6.2
89.02444	20.2
90.02747	0.7
93.03468	0.9
95.01400	2.3
95.05011	1.3
97.02950	13.0
97.06593	0.7
99.00909	3.3
100.15103	0.6
101.02444	18.6
107.05051	0.9
109.06587	30.8
110.03756	0.9
111.00809	0.6
111.04495	0.7
113.02456	12.2
115.00449	0.6
119.03521	5.4
121.06596	2.4
123.00923	0.8
123.04493	1.2
125.02455	7.9
125.09743	1.0
135.08167	5.0
136.05299	1.9
139.03989	0.8
141.01929	1.3
142.02690	2.1
143.03442	3.1
149.04553	0.7
154.81615	0.6
161.04553	4.3
161.09744	2.1
163.11281	17.9
164.11581	0.7
171.10196	1.0
179.05583	5.7
179.10760	1.9
181.12299	4.3
189.09204	2.6
201.11353	1.3
202.11560	0.7
207.10249	100.0
207.84268	0.6
208.10550	3.7
209.11803	4.8
210.12228	0.9
217.07068	0.8
221.06587	3.0
225.11313	38.2
226.11636	2.0
235.08234	5.7
243.12381	1.8
253.09280	1.4
255.23233	1.9
256.23578	0.9
259.08359	0.7
263.07529	0.8
267.12411	0.7
277.21716	66.9
278.22089	4.8
287.07657	2.1
299.14972	0.9
301.05646	0.7
305.08783	2.3
323.09763	1.5
373.53342	0.6
379.12341	7.0
380.12683	1.6
397.13486	52.2
398.13754	4.5
415.14597	12.6
416.15112	1.2
441.33401	0.7
443.81049	0.6
587.23322	1.1
605.24481	5.9
606.24554	0.9
623.25494	5.2
657.33777	0.7
675.36017	1.2
865.45453	1.2
883.46887	53.6
884.46869	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	883.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22197	0.5
69.62840	3.0
71.01376	2.0
81.03476	0.6
85.02955	1.6
89.02459	1.2
93.03369	0.4
95.01374	1.1
96.96001	1.6
98.20641	0.7
101.02377	0.6
108.02173	29.3
109.02975	11.4
113.02426	0.7
119.73376	0.4
120.49915	0.4
121.02945	0.9
121.86118	0.4
123.00934	0.7
123.04520	0.6
125.01606	0.8
125.02435	5.5
133.02975	0.7
135.04539	0.4
137.02449	3.2
138.03220	1.0
149.02420	5.5
151.04004	2.4
152.01146	59.6
153.01915	2.1
161.02419	1.3
163.00410	0.7
163.04005	1.9
164.01138	1.3
165.01909	1.8
166.02722	3.6
167.03529	2.3
175.03954	3.8
176.01143	0.9
177.01888	1.4
179.03552	0.8
192.00699	1.0
193.01366	1.1
197.06049	0.5
198.03276	1.0
199.04005	3.8
201.01842	0.9
213.05605	1.1
217.05019	3.3
223.03952	0.5
241.05029	7.2
241.07219	3.4
242.05374	0.5
243.02988	1.5
285.04001	20.5
286.04379	1.5
301.00098	0.6
303.05026	0.6
329.08810	4.9
339.07254	1.4
355.06628	1.2
417.10367	100.0
418.05594	0.4
418.10675	9.2
465.10355	10.8
466.10675	0.9
741.63153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.6139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	3.0
65.06171	0.3
70.46961	1.2
71.01373	0.4
71.05018	3.1
83.05014	0.6
85.06582	1.1
100.04044	0.6
137.02333	0.3
152.75049	0.4
169.01305	0.5
205.15953	2.8
256.19073	0.6
325.25522	0.6
337.25122	0.5
339.23209	0.5
343.26248	0.5
361.94763	0.5
393.27686	0.6
395.29663	0.7
409.31277	0.7
411.32938	1.5
423.32834	1.0
425.34314	12.8
426.34518	1.2
427.31595	0.6
439.32059	1.0
440.32434	1.0
441.33743	9.5
442.34000	1.8
443.35245	47.5
444.35501	5.4
457.33157	1.9
461.36136	0.9
475.34360	9.5
476.34189	0.8
485.32700	1.6
486.32895	0.9
487.34268	18.5
488.34540	2.5
503.33832	1.2
504.34204	1.4
505.35324	100.0
506.35629	11.8
519.33179	0.6
720.41724	0.5
881.38806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	13.3
63.96238	1.8
71.01376	9.7
73.02933	3.0
78.98584	7.6
79.95737	51.7
80.96515	100.0
85.02946	3.0
87.00871	3.2
91.73607	1.0
94.98086	20.8
96.95999	2.3
101.02428	2.6
106.41564	1.0
106.98061	4.5
122.97615	5.4
125.02438	3.2
127.04001	1.5
134.97597	8.0
136.99144	2.6
137.06952	1.4
148.99120	9.4
152.98608	7.7
164.98624	16.0
171.10211	1.9
206.99638	3.9
223.99796	1.2
225.00726	27.0
255.23195	3.1
325.18604	1.7
341.05328	2.6
425.14587	1.3
453.14667	2.1
537.27313	3.7
637.33160	1.7
709.38312	63.1
710.38483	9.0
737.41339	4.7
761.07031	1.4
765.40924	8.0
781.40558	6.8
879.47974	37.3
880.48895	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	879.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43412	1.9
61.98825	5.2
65.94939	2.0
70.83038	2.0
71.01392	22.2
71.05042	2.7
71.51894	3.0
71.52249	2.8
73.02946	3.9
78.04317	2.0
78.95912	3.6
82.73298	2.0
85.02952	6.8
87.00867	4.7
89.02462	15.2
97.02969	4.8
99.00871	13.9
101.02452	14.7
105.76591	2.2
109.06591	3.2
113.02428	8.3
116.92864	4.7
119.03473	5.1
125.02447	5.5
125.09712	6.4
161.04536	4.3
163.11281	7.9
171.10234	17.4
181.12343	9.2
199.13394	12.3
201.11404	3.5
207.10275	23.1
221.06683	2.2
225.11331	46.2
226.11548	3.1
235.08107	4.3
243.12306	7.3
253.09317	2.7
255.23293	64.9
256.23514	3.6
379.12036	3.5
397.13477	20.5
397.50174	2.8
415.14545	3.2
623.25366	4.1
861.48718	14.8
879.49646	100.0
880.49713	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	879.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	2.4
63.96225	2.5
69.03445	1.8
71.01380	10.0
73.02925	1.8
78.95877	1.6
78.98602	8.3
79.02662	0.8
79.95734	25.6
80.68451	0.7
80.96514	97.7
81.03442	1.0
85.02944	3.8
87.00854	2.6
94.98080	21.3
96.95978	1.4
97.02934	2.6
98.65780	0.8
99.00833	1.0
99.13321	0.7
101.02443	3.5
106.97478	0.8
106.98074	4.9
122.97552	3.8
125.02416	3.6
134.97580	7.1
136.99133	1.5
137.74812	0.9
148.99139	8.5
152.98604	6.9
164.98615	16.9
206.99672	3.8
225.00722	25.6
226.00958	1.1
255.23294	2.9
283.04971	1.1
341.05460	1.2
470.11502	0.9
537.27380	2.0
588.85571	1.1
613.22797	0.8
623.27783	1.6
655.70221	1.0
709.38177	4.9
781.40515	2.1
879.51135	100.0
880.51495	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	873.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	2.9
65.30775	0.2
66.27170	0.2
67.42780	0.3
68.99555	0.3
69.99215	0.3
71.52409	0.4
73.02943	3.3
75.00906	0.3
80.96525	0.3
98.04234	0.3
99.00879	0.8
99.92583	12.3
100.92597	0.4
112.98517	0.4
114.93415	0.6
115.00333	0.3
116.92863	100.0
116.97243	1.0
117.01943	5.6
117.92876	4.3
128.21031	0.3
202.57040	0.4
209.11819	0.4
218.05225	0.3
274.91251	0.3
277.21756	0.4
309.58395	0.3
498.86172	0.3
594.60620	0.3
814.22693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
65.68501	12.1
70.61600	12.0
70.73343	11.9
72.90488	12.5
75.13715	12.4
80.96533	15.3
88.98808	72.6
89.02442	22.5
122.04131	14.6
139.73700	13.1
259.29779	13.6
277.21640	57.4
283.92514	13.5
341.23233	47.5
440.56686	12.5
529.64325	12.6
642.20868	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	875.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.3
70.03289	0.2
71.01379	0.3
84.28358	0.2
98.19837	0.4
99.64836	0.2
111.07452	0.2
111.08150	1.2
111.85062	0.2
165.12840	20.9
166.13188	0.8
183.13893	86.9
184.14221	3.6
209.11816	1.8
227.12875	100.0
228.13196	5.1
291.67642	0.3
511.20569	0.3
592.92419	0.3
768.38019	0.3
798.63177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.48
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	2.9
69.03442	4.0
71.01379	12.7
71.05000	1.1
71.52006	2.1
72.99296	1.5
73.02942	2.1
80.75053	0.9
81.56216	0.9
83.05016	0.9
85.02951	2.9
87.00883	2.1
89.02435	9.4
95.01380	1.8
97.02942	2.2
99.00829	1.0
101.02432	7.6
113.02448	3.5
116.92839	3.1
117.92928	1.1
118.92623	1.0
119.03481	1.6
121.02951	2.7
123.08112	1.4
125.02384	2.3
125.09715	1.4
148.39896	0.9
151.11246	2.3
161.04568	1.1
161.09712	3.7
179.10785	4.7
197.11830	32.7
209.11789	3.1
221.06636	1.6
235.08183	1.5
241.10782	2.4
255.23288	43.6
256.23502	2.0
263.98987	1.0
277.21625	2.6
372.19650	1.1
397.13309	3.2
491.37491	1.1
498.56454	0.9
552.23517	0.9
675.29437	1.3
877.48010	100.0
878.48199	22.4
890.52008	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	0.2
70.65503	0.4
89.02303	0.2
97.06581	0.2
111.08192	1.1
165.12842	21.2
165.89046	0.2
166.13167	0.9
181.12299	0.2
183.13893	90.6
184.14223	4.2
191.10803	0.2
209.11801	1.6
227.12877	100.0
228.13196	5.5
450.68939	0.2
507.82388	0.2
860.89899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98539	0.2
70.32825	0.2
75.00873	0.1
83.28340	0.1
83.36395	0.1
95.81264	0.1
96.96034	0.1
109.02975	0.1
121.02976	0.2
125.02471	0.2
137.02531	0.1
150.03214	0.1
165.05548	0.1
169.01480	0.1
186.88225	0.1
194.00578	0.1
195.06651	0.2
210.03062	0.1
228.25395	0.1
300.99985	0.3
391.04291	0.1
464.07782	0.1
606.24164	0.1
750.61389	0.1
765.10187	0.1
785.48553	0.1
872.38849	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	873.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	2.7
65.00318	8.4
69.84711	1.4
69.85101	1.1
71.01376	0.8
71.39915	0.4
83.01382	3.6
93.03447	1.0
107.01392	14.5
108.02180	0.9
109.02951	2.6
112.47349	0.6
121.02940	4.2
123.00889	0.5
124.01654	0.6
125.02439	2.0
131.01398	0.9
132.02173	1.0
133.02960	9.9
134.03738	0.9
135.00888	0.9
135.03008	0.7
135.04529	8.7
137.02448	0.7
148.01631	1.3
149.02469	1.0
151.00363	55.8
152.00749	0.8
161.02443	19.0
163.00340	1.9
163.04008	0.9
164.01187	1.4
169.01443	1.9
171.04451	0.8
175.00380	1.8
175.03954	1.1
177.01872	0.8
177.05566	1.9
178.99864	26.1
179.03426	4.6
183.04442	0.7
187.03996	1.2
189.05615	0.6
192.00642	0.8
193.01442	1.2
199.03987	2.2
201.15123	0.6
203.03377	1.0
211.03995	0.9
213.01874	0.6
215.03462	1.8
216.04155	0.7
221.04521	1.6
226.02718	2.5
227.03413	4.0
243.02988	8.9
244.03523	0.7
254.02188	4.2
255.02979	8.7
257.04575	1.0
271.02463	53.3
272.02936	4.5
273.04050	1.4
283.02408	2.6
285.03931	2.9
299.01941	27.7
300.02719	52.4
301.03494	100.0
302.03867	5.6
313.03253	0.9
323.07718	5.1
329.02884	0.9
343.04529	1.2
475.08899	1.2
503.08264	2.1
505.09860	15.3
506.10233	2.3
607.11090	2.7
624.10840	2.0
625.11938	78.6
626.12201	12.5
723.78394	0.6
787.17316	1.8
829.18280	44.6
830.18658	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	873.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	8.4
71.01382	19.3
71.53457	2.6
72.85593	1.8
73.02918	2.4
83.01387	2.1
85.02966	3.8
87.00874	4.9
88.98779	2.6
89.02455	20.2
96.95976	2.1
99.13254	1.8
101.02431	15.2
105.60809	1.8
111.00883	2.4
113.02480	9.7
116.92876	16.7
119.03462	2.6
125.02464	11.9
131.03487	4.1
144.86774	2.1
161.04553	8.2
165.40373	2.4
175.04076	2.5
179.05580	5.7
186.31906	2.0
201.01895	2.2
204.66820	2.2
209.11742	2.9
210.22948	2.1
235.08195	3.1
277.21695	13.1
300.99808	6.2
323.09769	2.6
391.02716	3.2
397.13480	17.8
415.14566	5.8
487.34152	8.2
559.18738	100.0
559.27588	4.9
560.18896	6.7
577.19849	22.4
578.20453	3.7
837.40955	21.2
838.41663	4.8
873.39081	20.2
874.39478	3.6
898.92725	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	871.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.9
62.50594	0.6
64.61514	0.6
69.03456	1.3
69.26393	5.8
71.01379	15.1
72.99302	1.1
73.02929	2.6
78.95871	1.1
79.21220	0.6
83.01379	1.5
83.05021	1.2
85.02927	3.8
87.00871	3.4
88.59948	0.7
89.02440	12.4
95.01403	1.3
95.05000	1.5
97.02934	2.1
97.06575	5.2
99.00859	1.6
101.02431	9.8
101.23348	0.6
104.91577	0.6
109.96553	0.6
111.00870	1.2
113.02444	3.3
114.93459	0.7
119.03468	3.1
125.02391	3.2
125.09692	0.7
151.11278	10.1
152.11577	0.9
161.04558	0.9
169.12335	43.9
170.12628	1.8
179.05562	1.1
195.10193	1.0
209.11841	1.0
210.12080	0.7
213.11263	5.7
221.06641	2.3
222.39476	0.7
227.26321	0.9
235.08202	1.2
253.09528	0.7
277.21704	34.6
278.21985	2.5
300.99979	0.9
397.13657	4.0
398.13837	0.9
415.14236	1.2
593.24744	2.1
611.25311	1.5
871.46930	100.0
872.47266	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	872.298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44926	0.1
61.98828	100.0
62.98532	0.2
69.30799	0.1
69.31215	0.5
125.02473	0.1
150.03218	0.1
165.05618	0.2
192.89328	0.1
195.06563	0.1
294.23230	0.1
300.99884	0.1
302.16833	0.1
387.04031	0.1
417.79572	0.1
745.93866	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	872.298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98520	0.1
70.65614	0.1
70.65959	0.1
79.49770	0.1
87.79386	0.1
133.02994	0.1
142.27754	0.1
150.03244	0.2
150.06909	0.1
155.06750	0.1
161.02469	0.2
161.57167	0.1
164.14366	0.1
165.05598	0.2
171.52548	0.1
195.06662	0.1
209.11929	0.1
460.72217	0.1
466.77863	0.1
534.49445	0.1
538.39923	0.1
711.40088	0.1
829.42535	0.1
887.63477	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	870.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
66.93546	0.2
71.01389	0.3
71.43110	0.3
74.06384	0.2
78.95901	0.3
79.95764	0.3
83.83569	0.2
89.02474	0.2
111.08482	0.2
171.10323	0.4
211.13394	0.5
212.13759	0.3
226.54387	0.2
265.46375	0.2
277.21719	0.4
278.21994	0.2
279.23151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	10.1
62.76218	0.7
70.67363	0.9
71.01381	6.1
73.02955	1.8
77.72631	0.8
81.03465	2.1
83.05019	3.6
85.02951	1.9
87.00878	1.4
88.98795	0.9
89.02454	8.4
93.03451	2.3
93.94109	0.9
96.96051	1.1
97.02943	1.6
98.20710	2.5
101.02423	6.4
109.02961	1.3
113.02454	3.1
119.03490	2.6
123.00858	1.6
125.02457	9.6
127.84898	1.0
135.08134	1.1
137.02463	9.1
138.02762	1.2
143.03433	1.9
151.00349	1.3
151.04002	1.3
161.02394	1.0
161.04538	1.6
163.11267	2.8
164.01086	0.8
165.01927	18.4
165.12825	1.3
166.02274	7.2
167.02419	1.8
169.01448	9.0
179.03484	3.1
179.05568	3.1
180.04291	10.2
181.05005	6.3
182.05292	1.7
195.06622	9.8
196.06880	4.3
209.11823	100.0
210.05313	1.9
210.12135	5.8
225.05765	0.9
225.07704	5.9
226.07970	3.6
227.12892	31.1
228.13231	1.8
235.08186	1.8
300.99991	1.7
323.09851	1.5
330.10327	1.0
379.12531	5.6
397.13507	36.6
398.13885	2.2
415.14584	9.3
418.15680	1.1
453.05695	7.4
453.55807	3.3
589.25073	2.9
596.21674	1.4
597.22479	2.1
607.25848	5.4
799.37360	1.3
838.67548	1.0
871.37201	16.4
872.37085	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	871.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	2.3
68.99540	1.3
69.03426	2.1
71.01009	1.1
71.01380	16.5
71.51986	0.9
71.52444	1.2
72.99295	2.1
73.02943	2.3
75.00870	0.9
81.46323	0.7
83.01382	1.8
83.05032	1.1
85.02946	4.4
87.00864	3.4
89.02444	12.4
95.01377	1.7
97.02944	2.1
97.06582	2.8
99.00867	1.6
101.02439	10.8
107.22437	0.8
109.02947	0.8
112.98524	0.7
113.02438	5.3
116.92854	1.8
117.65550	0.8
119.03490	3.3
125.02444	4.0
128.90167	1.5
129.01921	1.0
137.02451	1.5
143.03447	1.6
144.10040	0.8
145.89529	0.8
151.11287	10.4
152.11566	1.0
161.04593	1.4
169.12335	67.8
170.12643	2.9
179.05589	2.1
185.11801	0.8
198.90642	0.8
209.65858	0.7
213.11331	10.7
221.06676	3.9
223.40651	0.6
277.21722	18.9
278.22092	1.4
369.73788	0.8
379.12451	0.9
393.53592	0.8
397.13605	4.3
450.62939	0.7
481.07495	0.9
593.24725	2.0
611.25665	3.5
871.46906	100.0
872.47229	22.4
872.64264	1.4
892.89270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34784	0.3
61.91496	0.3
61.98822	3.2
63.49755	0.4
67.26695	0.4
68.99571	2.5
69.03457	1.2
69.84237	0.4
71.01382	17.1
71.49010	0.4
71.52483	0.6
72.99312	1.4
73.02950	3.0
74.75332	0.4
75.00845	0.5
78.95896	0.7
79.95723	0.5
80.96499	0.8
81.03435	0.7
83.01397	2.6
85.02952	4.0
87.00877	4.2
89.02447	16.5
89.72060	0.5
95.01391	1.1
96.95975	0.7
97.02970	2.7
99.00866	1.0
101.02440	13.8
103.18584	0.4
112.98572	2.1
113.02441	7.9
113.03168	0.7
119.03513	3.9
121.02953	0.6
123.00949	0.7
125.02443	7.2
131.03539	0.4
137.02560	0.6
139.04012	0.8
141.01981	0.5
143.03496	2.5
145.05109	0.6
157.05000	0.5
161.04584	3.9
167.03433	0.7
167.14436	0.6
174.04750	0.4
179.05617	4.3
183.13885	6.9
193.12274	1.0
194.61208	0.4
208.92271	0.5
211.13385	100.0
212.13756	4.8
217.07112	0.8
221.06682	1.5
235.08240	5.9
253.09288	1.0
259.08215	0.5
263.07520	0.5
277.21713	58.0
278.22046	4.7
287.07767	1.5
291.23419	0.6
291.39276	0.4
305.08688	2.3
323.09610	1.1
334.65189	0.4
365.16690	0.4
379.08005	0.7
379.12463	8.8
397.13498	41.3
398.13724	3.0
415.14520	10.2
416.15067	0.4
466.24313	0.5
591.26459	2.4
609.27637	2.5
657.34888	0.4
675.35999	1.8
869.47168	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88635	0.1
61.98831	100.0
70.53216	0.4
71.01382	0.3
78.95926	0.2
80.96534	0.2
89.02458	0.4
95.64428	0.1
96.95982	0.1
101.02438	0.1
135.97980	0.1
162.32430	0.2
190.15724	0.2
209.12000	0.2
211.13341	1.4
241.69624	0.1
255.23322	0.2
277.21686	0.9
337.07465	0.1
384.03033	0.2
397.13562	0.4
422.91919	0.2
425.02298	0.2
480.10141	0.1
526.94727	0.2
869.46429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	3.1
67.01891	1.1
70.44657	0.5
71.01377	1.2
73.02970	0.5
75.00890	0.5
75.86452	0.4
83.01405	0.4
85.02970	0.6
88.98815	1.4
89.02440	0.6
93.03447	1.8
94.38682	0.5
95.01357	0.5
101.02421	0.6
103.89477	0.5
109.02966	1.8
113.02465	0.5
113.26137	0.5
117.03393	0.5
121.02939	1.0
123.00865	1.3
125.02454	1.6
133.03090	0.5
135.03000	0.9
135.04521	0.9
136.01643	1.5
137.02443	23.9
138.02843	0.5
148.01654	0.6
149.02478	1.1
150.03226	1.9
151.00371	4.6
151.03999	2.9
152.01036	0.6
152.04771	0.9
161.02411	0.9
162.03200	1.1
163.03961	1.0
164.01141	2.6
164.04802	1.2
165.01923	100.0
165.05487	2.3
166.02698	14.8
167.03418	1.4
169.01413	0.8
175.03961	0.6
176.04771	0.7
177.01894	1.3
177.05536	0.9
178.02710	0.5
179.03491	19.0
179.07115	1.8
180.04274	52.2
181.05052	33.0
182.05386	0.9
191.03471	0.6
191.05525	0.6
192.04216	0.9
193.04993	1.2
194.05852	4.1
195.02972	2.8
195.06612	62.5
196.06944	2.7
205.05031	1.0
207.06575	1.5
209.08195	6.0
209.11766	0.8
210.05325	10.7
211.05997	1.1
220.07388	1.0
223.49817	0.5
225.07677	46.3
226.08057	2.6
300.99750	1.2
357.19443	0.5
359.10849	0.5
373.12875	0.7
387.10391	0.8
387.14737	1.5
392.95529	0.5
402.13153	0.5
403.14124	2.5
416.14630	1.4
417.15460	9.7
418.15985	1.2
433.00809	0.6
471.17032	0.6
546.44940	0.6
575.22430	0.6
594.21204	2.1
595.21857	17.2
596.22015	3.0
625.22565	1.0
643.23749	3.4
644.24506	0.7
647.37646	1.5
773.28040	5.2
774.29639	1.0
803.29193	0.8
821.32568	0.8
869.31952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	4.3
68.99572	27.7
69.03471	1.7
69.36124	3.0
69.36533	1.1
71.01382	17.7
72.99303	1.5
73.02942	2.3
75.00854	0.9
75.49947	0.6
80.96528	0.9
81.03444	0.8
83.01392	3.1
83.05068	0.7
85.02948	4.8
87.00874	5.0
89.02448	16.5
95.01392	1.4
97.02935	3.2
99.00874	1.5
101.02447	14.2
102.17725	0.6
109.02965	0.9
111.04496	0.7
112.98568	28.1
113.02441	8.9
119.03465	3.9
121.03008	0.6
125.02456	6.1
129.43422	0.6
133.05202	0.6
141.05618	0.5
143.03506	2.2
155.10858	0.5
161.04524	3.7
167.03522	0.6
179.05602	5.1
183.13890	7.8
189.86388	0.6
193.12296	1.9
211.13391	100.0
212.13713	5.2
221.06761	1.4
235.08243	5.9
244.33873	0.6
253.09282	1.1
263.07617	0.8
277.21713	58.9
278.22070	4.0
287.07712	1.8
305.08771	1.9
323.09921	1.8
327.21805	0.7
361.11133	0.8
379.12393	8.8
397.13495	44.6
398.13885	3.6
415.14523	8.4
521.60175	0.6
591.26422	2.4
609.27966	2.6
675.35974	1.8
869.47357	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	867.423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	1.4
62.25690	0.5
69.03443	1.0
69.35274	1.7
69.35698	3.1
71.01379	7.6
73.02917	1.2
75.00861	0.7
80.02672	0.8
81.03454	1.7
83.01369	1.4
83.05022	6.1
84.02169	1.1
85.02950	2.5
87.00865	3.0
89.02440	9.1
95.01390	0.7
95.05013	0.9
96.10211	0.6
96.96045	0.7
97.02935	1.6
99.00829	0.7
100.13888	0.6
101.02448	5.8
107.64730	0.6
113.02431	3.7
119.03501	2.7
125.02431	4.1
141.01952	0.6
143.03502	1.2
147.42953	0.6
161.02400	0.9
161.04556	1.8
163.11269	4.9
165.05443	0.7
165.12849	2.3
169.01425	1.1
178.75957	0.6
179.05605	2.3
181.12329	0.8
186.08696	0.6
191.10774	0.9
209.11818	100.0
210.12152	5.8
214.12836	0.6
227.12888	17.1
235.08257	2.9
287.07724	0.8
293.74377	0.7
300.99973	1.4
305.08716	1.4
309.21011	0.7
379.12375	2.7
397.13486	20.5
398.13922	1.4
415.14499	6.0
548.54425	0.8
589.24884	1.0
607.26239	2.2
832.09668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98542	0.1
63.40200	0.1
70.27814	0.1
79.95746	0.1
80.96526	0.3
97.44038	0.1
150.92126	0.1
164.03461	0.1
187.29570	0.1
210.64626	0.1
239.85188	0.1
246.69460	0.1
869.47668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98515	0.2
63.93405	0.1
71.01394	0.3
79.95750	0.5
80.96514	1.7
91.77682	0.1
94.98095	0.5
101.02467	0.1
134.97644	0.1
148.99173	0.1
164.98611	0.3
213.66756	0.1
225.00748	0.4
226.01170	0.1
242.42967	0.1
278.22055	0.2
627.47498	0.2
866.50269	1.9
867.50378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98532	0.1
71.01382	0.2
71.27715	0.2
78.98606	0.2
79.95744	0.4
80.96519	1.7
94.98109	0.4
96.03069	0.1
107.24142	0.1
148.92130	0.1
148.99174	0.2
164.98656	0.3
216.00089	0.1
225.00790	0.4
264.66156	0.1
278.22073	0.3
300.50073	0.1
430.39761	0.1
448.00763	0.1
467.35626	0.1
612.34814	0.1
717.16565	0.1
866.50378	1.9
867.49792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.17593	0.4
71.52888	0.5
78.95910	1.1
79.95751	0.6
80.96520	2.0
94.77577	0.4
132.97235	0.3
164.98628	0.5
209.11845	0.9
233.85817	0.4
255.23315	0.5
277.21783	1.0
359.18063	0.4
635.24615	0.5
781.41113	1.2
866.51056	1.1
867.47052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.7
65.29935	0.5
70.91113	1.4
81.03454	2.5
83.01405	1.0
89.31451	0.5
91.97710	0.5
93.03440	2.7
95.74632	0.5
107.01401	1.0
111.17992	0.5
119.05040	2.7
123.04519	9.4
125.02439	5.0
135.00935	0.5
139.97232	0.5
143.09529	0.5
149.02444	0.5
151.00337	1.7
159.18810	0.5
163.00385	0.6
167.03485	25.9
168.03806	0.7
169.01334	0.6
170.13757	0.5
179.03519	2.0
182.03809	0.6
185.06116	0.8
187.04028	1.4
197.06073	0.6
211.04031	1.0
213.05548	0.7
227.03484	28.4
228.03848	2.3
229.05124	3.5
239.03500	1.2
243.70140	0.5
255.02969	39.0
256.03500	5.6
257.04312	2.1
267.03049	0.7
273.07669	43.9
274.08112	2.7
284.03250	46.5
285.03979	47.9
286.04315	4.7
287.04562	1.2
310.35062	0.5
363.61749	0.6
431.09796	100.0
432.10162	11.3
433.10556	2.9
434.10565	1.9
435.13147	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	865.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	15.2
70.53355	12.3
71.01387	26.8
78.95893	12.5
83.01395	5.8
85.02942	10.0
87.00853	9.5
89.02446	24.6
97.02946	5.9
101.02443	15.4
109.06577	6.0
113.02422	9.1
119.03531	6.8
119.22594	4.5
119.58674	5.1
125.02417	20.3
138.72893	4.8
143.03488	6.0
145.22884	5.6
166.71686	4.8
171.10258	100.0
179.05611	5.9
188.12886	4.6
209.11824	37.2
210.12103	15.8
227.12787	6.9
235.08136	6.3
252.10332	5.2
255.23259	20.5
256.23608	13.8
275.01843	8.3
277.21713	70.8
278.21960	12.0
287.07538	5.8
300.99695	8.1
379.12390	22.8
397.13440	77.1
398.13672	17.3
415.14633	12.8
493.16159	5.4
551.23218	13.9
569.24628	11.5
647.16571	5.5
657.34265	6.5
865.43494	52.1
866.43939	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	865.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	42.5
62.12061	1.3
69.80559	6.7
69.80872	1.2
71.01383	7.9
73.02962	3.0
77.23573	1.1
78.98582	3.2
79.95730	7.4
80.96517	29.6
81.03402	1.3
83.01401	1.3
85.02937	2.3
87.00867	2.6
89.02425	2.0
94.98079	7.1
97.02969	1.4
101.02429	6.8
111.08128	3.7
113.02488	1.1
116.92825	2.8
119.03571	1.4
122.97605	1.7
134.97572	3.5
136.99126	1.4
148.99161	1.4
152.98592	3.0
161.04437	1.5
164.98608	5.0
169.12355	2.9
171.10210	2.2
184.85391	1.2
197.11813	23.2
199.13339	1.5
209.15457	1.7
211.13382	3.4
225.00761	10.1
225.14917	2.6
234.38570	1.2
235.08305	7.3
251.16437	1.7
253.09229	13.2
273.18527	1.6
277.21713	100.0
278.22104	6.6
291.19687	15.1
292.20093	1.5
309.20700	36.3
310.21149	2.7
314.68338	1.2
317.37344	1.4
836.10297	1.4
865.49805	34.6
866.50433	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	865.277
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11157	0.4
69.61692	1.4
69.62117	1.6
71.01380	2.3
85.02964	1.3
89.02409	0.4
94.93034	0.5
95.01393	0.5
100.02357	0.5
101.02438	1.1
107.01380	0.6
113.02458	1.2
125.02412	0.6
151.00354	1.6
161.04552	1.3
163.00439	0.7
169.01407	0.5
183.10254	1.9
183.97078	0.5
211.03960	0.9
227.03482	30.2
228.03860	1.6
229.05058	1.6
255.02975	40.8
256.03549	5.8
257.04446	1.1
284.03247	48.1
285.03979	20.0
286.04395	1.1
297.01031	0.4
304.64893	0.4
313.16473	0.9
327.05008	1.2
331.17563	1.5
373.18759	3.1
447.09286	100.0
448.09601	10.4
507.11636	0.7
870.67523	0.5
877.22137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	15.2
65.44261	4.2
66.79513	4.6
71.01363	23.8
71.51830	4.5
71.52235	4.5
73.02969	7.7
80.96490	5.4
84.31969	5.2
85.02974	8.6
87.00897	6.4
88.83476	4.7
89.02454	28.3
97.02959	6.6
99.00877	5.2
101.02447	19.2
113.02459	10.6
119.03518	7.9
125.02415	12.4
152.99559	7.0
161.04552	8.3
171.10263	100.0
179.05580	9.7
207.10263	8.7
209.11812	29.6
210.12158	21.5
235.08203	8.4
255.23276	15.8
256.23676	10.4
277.21671	80.6
278.22165	6.8
301.00006	6.1
303.16623	5.3
320.05945	4.9
379.12381	25.9
397.13510	74.4
398.13818	8.9
399.13901	8.6
415.14401	6.2
483.72504	6.0
486.11261	5.6
551.23303	11.9
657.34631	7.4
675.35547	9.6
861.82941	6.2
865.43512	43.1
866.44751	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	865.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	3.0
91.28883	0.9
95.05031	1.0
97.02958	1.7
107.05023	1.6
109.02952	10.8
121.02988	1.5
123.04537	7.6
125.02447	100.0
126.02792	1.7
131.04993	0.9
133.02985	5.4
135.04564	1.6
137.02441	13.5
139.04002	1.4
145.02954	1.2
147.04570	1.2
149.02434	3.3
150.03227	0.8
151.04001	10.6
159.04488	3.5
161.02446	30.4
161.06064	2.8
162.03203	1.4
163.00375	3.5
163.04027	2.9
164.01126	6.3
165.01917	5.3
167.03453	1.3
175.04012	13.7
175.07819	0.8
177.01935	10.8
177.05521	2.0
179.03465	2.6
185.06099	1.5
187.03998	3.6
188.04613	1.2
189.01970	1.9
193.05032	1.8
199.03979	3.6
201.01958	1.5
201.05583	3.1
203.03513	3.2
203.07085	2.9
205.01509	1.4
205.05119	4.1
211.03925	1.2
211.07431	0.9
215.03540	2.1
217.05028	6.1
218.56654	0.8
219.02997	3.4
225.05525	1.2
227.03595	1.9
227.07048	1.0
229.05035	2.5
231.02946	1.6
241.05048	1.7
243.02983	16.2
245.04532	10.4
245.08182	5.4
255.02997	5.4
256.03610	2.8
261.03970	4.9
269.04529	3.3
273.04099	1.1
281.04474	1.6
283.02368	1.9
285.04080	3.0
287.05606	28.6
289.07190	21.1
299.05515	4.8
301.00327	1.2
327.04984	1.1
329.06705	1.5
339.08774	1.2
341.06461	1.1
363.05209	1.2
391.04446	1.2
395.07886	1.3
405.06174	5.8
407.07681	19.6
408.08240	2.1
413.08771	8.0
423.07281	4.5
425.08823	10.8
426.09131	1.3
426.22409	0.9
435.07529	1.2
449.08649	5.6
451.10385	7.2
525.08020	1.3
533.11011	1.5
543.09186	4.2
559.12427	1.3
561.10419	1.5
575.11890	5.5
577.13391	11.2
578.13995	1.3
587.12054	2.5
667.19067	0.9
695.14185	7.3
696.14301	1.1
713.15472	1.8
714.14191	1.2
739.16724	2.9
826.57397	1.1
865.19019	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	865.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81664	3.3
79.62887	0.7
81.03453	0.9
83.01374	4.5
85.04255	0.8
89.03994	0.8
93.03448	1.5
95.01411	0.7
95.05060	1.7
97.02948	2.8
107.05029	1.8
109.02948	12.8
109.03675	0.7
117.03488	1.2
121.02973	2.3
122.03756	1.1
123.04532	8.4
125.02448	100.0
126.02790	1.8
131.05020	1.3
133.02950	6.7
135.04558	2.5
137.02444	14.0
138.02837	0.7
139.04021	2.1
146.03809	1.1
147.04559	1.2
149.02437	4.1
149.06030	0.8
150.03233	1.1
151.04012	13.8
158.03716	1.2
159.04477	2.4
160.01636	0.8
161.02449	33.1
161.06073	2.9
162.03145	2.6
163.00380	3.3
163.04005	4.6
164.01180	7.1
165.01883	6.9
167.03510	1.8
173.06023	1.5
174.03142	1.1
175.04005	16.9
175.07635	0.9
176.01186	0.9
176.04347	0.8
177.01938	11.2
177.05571	2.0
179.03493	2.4
185.05994	1.2
187.04001	5.7
188.04778	2.1
189.01968	2.3
191.03448	0.9
193.04976	1.4
199.03969	5.4
201.01950	1.2
201.05580	2.9
202.02676	0.8
203.03413	3.4
203.07130	3.5
204.03981	0.8
205.01476	1.4
205.05083	4.0
211.04112	0.8
215.03386	0.9
217.01511	1.1
217.05040	9.5
219.02972	3.9
219.06676	0.9
225.05505	1.8
227.03543	1.6
227.07079	1.1
229.05081	2.6
231.03001	1.7
241.05132	1.1
243.02950	21.1
243.06650	1.9
244.03503	1.4
245.04535	12.5
245.08167	3.6
246.04906	0.8
253.05237	1.4
255.03047	8.1
256.03702	2.6
257.04565	1.2
261.04007	7.1
269.04517	2.7
273.04117	2.2
281.04572	2.6
282.01669	1.5
283.02570	1.8
285.04071	3.1
286.04807	1.2
287.05615	29.2
288.06046	1.4
289.07153	25.6
290.07715	1.0
295.05872	0.8
297.04080	1.0
299.05582	4.6
300.99774	1.0
315.08905	0.8
339.08875	1.6
341.06732	2.0
391.04694	2.7
395.07724	0.8
405.05997	6.5
407.07684	18.9
407.12643	1.2
408.08054	1.7
413.08731	6.3
423.07080	5.0
425.08719	10.8
441.00687	0.8
449.08768	8.2
451.10297	9.0
525.08331	2.7
533.11530	1.2
543.09357	4.4
559.12213	1.2
561.10651	2.7
569.11115	1.5
575.11670	5.2
576.12531	1.2
577.13458	11.9
577.21851	1.0
578.13977	1.3
579.08954	0.8
587.11914	3.9
695.14252	8.3
696.14642	1.1
713.15369	2.8
739.16656	2.0
865.20508	1.9
866.21106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00469	0.7
65.03977	0.8
70.84526	1.5
73.14171	0.7
81.03471	1.2
83.01398	3.2
93.03452	1.9
95.01369	1.1
95.05016	1.7
95.30841	0.8
97.02958	2.2
103.05515	1.0
107.01485	0.9
107.05039	1.8
108.02171	0.9
109.02943	11.2
117.03461	1.3
121.02895	3.9
122.03675	0.8
123.00869	1.1
123.04519	7.3
125.02449	100.0
126.02803	3.5
131.04958	1.2
133.02950	5.7
135.04543	2.2
137.02449	14.8
139.03952	1.6
147.04564	1.0
149.02426	3.7
150.03160	0.9
151.04015	13.2
159.04541	2.2
161.02438	32.7
161.06017	1.7
162.03035	3.1
163.00351	2.5
163.03993	3.5
164.01155	5.3
165.01964	4.8
166.03903	0.8
167.03452	1.0
169.01474	0.8
174.03217	1.4
175.03999	17.0
175.07605	0.8
176.01164	1.8
177.01936	11.3
177.05511	1.3
179.03511	2.3
187.03983	3.7
188.04759	1.5
189.01961	2.3
189.05484	1.0
191.03511	1.3
191.05481	1.0
193.05067	1.3
197.05972	0.8
199.04018	4.2
201.01917	1.4
201.05595	1.7
203.03421	2.2
203.07141	3.7
205.01387	1.6
205.05045	3.7
211.03955	1.0
215.03522	0.9
217.05026	9.4
219.02954	2.8
221.08144	1.0
225.05562	1.4
227.03476	2.2
227.07098	1.2
229.05022	2.3
231.03027	1.3
237.05444	1.0
241.04962	0.9
243.02966	22.5
243.06590	1.8
244.03580	1.4
245.04465	10.7
245.08159	5.6
253.05040	1.2
255.03043	5.9
256.03708	2.6
257.04541	1.4
259.06079	1.0
261.03973	7.4
269.04520	2.4
273.03955	1.6
279.02917	1.1
281.04529	2.1
283.02536	2.2
285.04028	2.4
287.05597	22.2
288.05914	1.9
289.07196	20.5
290.07504	1.1
299.05533	4.4
300.99866	2.0
327.05032	0.9
329.06549	1.0
339.08716	1.3
341.06415	1.4
363.05106	1.0
381.09973	1.4
383.07635	1.1
391.04419	1.0
397.04633	0.9
405.06195	6.1
407.07693	18.1
408.08084	2.3
409.08920	0.8
413.08643	6.1
423.07059	4.5
424.07538	1.0
425.08777	10.6
426.09012	1.1
435.06918	0.9
449.08737	6.5
451.10458	7.0
457.65915	0.9
493.24673	0.8
525.08350	2.4
543.09302	5.0
559.12256	1.4
561.10492	2.1
564.39252	1.0
569.10864	1.7
575.11743	7.0
576.12396	1.3
577.13446	9.0
578.13879	1.5
587.12012	3.4
695.13965	9.7
696.14197	1.0
713.15082	3.2
739.16772	2.1
865.20471	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	865.147
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02372	1.9
65.00316	2.6
71.01385	4.5
71.29245	3.1
71.83549	2.0
75.00870	9.9
89.02437	3.1
93.03479	4.2
107.01404	4.9
109.02934	2.8
125.02445	3.4
135.03008	8.5
135.04524	3.0
135.54291	2.0
143.05042	3.0
145.02968	2.1
145.06546	3.4
151.00356	3.6
151.89275	1.8
152.72182	1.7
155.04980	2.0
159.04550	6.4
161.02385	2.8
163.00403	4.0
169.01443	7.3
169.02884	2.8
171.04539	9.9
172.05281	1.9
173.06081	9.2
176.04793	2.1
179.03638	1.8
182.03703	3.2
183.04459	21.8
185.06114	6.6
187.04005	7.1
189.05569	2.1
197.02441	5.9
198.03200	12.4
199.04048	18.0
200.04752	10.9
201.05557	35.9
202.02664	3.5
203.03535	6.5
207.34302	1.8
211.03975	33.6
213.01999	3.2
213.05481	7.5
214.02711	3.4
223.04045	2.4
225.01936	22.6
225.05534	4.0
226.02570	4.3
227.03508	65.8
228.04100	6.5
229.01346	5.2
229.05017	50.1
230.05432	3.9
237.01965	1.9
239.03603	2.9
241.05029	3.6
243.03053	3.5
245.04347	10.6
247.02353	2.1
253.01411	76.0
253.05309	3.1
254.01874	7.0
255.02962	66.7
256.03589	9.7
257.04480	12.6
267.02823	2.9
269.00925	2.5
269.04584	2.6
271.02457	7.6
273.04095	17.5
281.00931	55.2
282.01181	2.2
284.03244	49.8
285.04034	100.0
286.04364	6.8
287.05624	2.6
297.00388	7.3
298.01172	44.0
299.01846	8.5
300.99905	6.5
301.03424	3.2
315.05157	7.9
327.05515	2.5
373.05612	3.4
389.08902	3.1
399.07211	5.9
401.05072	6.7
417.08597	9.3
443.06049	5.6
447.09225	7.3
449.10672	2.2
461.07272	53.8
462.07385	4.3
479.08649	2.3
519.07849	3.9
579.09851	39.8
580.10034	4.6
685.11810	15.3
703.12982	78.0
704.13287	16.0
729.10706	16.1
730.11896	4.3
747.11981	46.7
748.12201	8.5
831.27777	2.2
865.14355	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	863.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	0.8
69.05660	0.3
70.26100	0.6
70.26476	1.2
71.01381	15.4
72.99310	1.4
73.02952	3.0
75.00883	0.5
80.02677	1.2
81.03464	2.3
81.50384	0.4
83.01391	2.3
83.05029	4.9
84.02171	1.0
85.02948	3.8
85.57401	0.4
87.00864	3.9
89.02445	14.3
95.01398	1.4
95.05001	0.7
97.02943	2.2
97.06667	0.4
99.00893	1.1
100.24525	0.3
101.02440	11.7
101.03105	0.6
107.11150	0.4
108.08163	0.3
111.04504	0.5
113.02452	7.6
115.03946	0.4
119.03510	4.7
121.02966	0.6
124.66879	0.4
125.02448	5.6
125.06067	0.5
131.03471	0.6
135.08159	0.6
139.03999	0.7
140.81625	0.4
141.01811	0.3
143.03497	2.9
145.05026	0.5
147.54002	0.3
149.04501	0.5
161.04547	3.7
163.11263	3.4
165.12872	2.2
169.04987	0.3
179.05595	3.9
181.04990	0.4
181.12289	0.5
185.04533	0.5
191.10767	0.9
195.87178	0.3
199.06126	0.4
209.11819	100.0
210.12189	5.1
217.07149	0.7
221.06630	1.4
227.12871	11.2
228.13203	1.0
235.08220	5.1
251.12843	0.5
253.09401	0.5
255.23282	53.8
256.23596	3.6
287.07651	1.7
301.67719	0.4
305.08911	1.8
322.47232	0.4
323.09943	1.1
361.11264	0.4
379.12430	7.1
380.12766	0.5
397.13470	41.0
398.13654	2.7
415.14560	8.3
416.14783	0.9
445.20935	0.3
589.24756	0.7
607.26208	1.2
635.36548	0.4
653.37292	1.2
657.95306	0.4
680.06995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.6
65.72449	0.2
67.08242	0.3
68.99833	0.3
69.03454	0.9
71.01379	14.2
72.99306	1.0
73.02943	2.1
75.00857	0.4
78.95920	0.4
80.02666	1.0
81.03471	1.6
83.01392	1.5
83.05028	5.0
84.02171	0.9
85.02951	3.7
87.00874	3.4
89.02442	11.5
90.02804	0.2
91.03997	0.2
91.15710	0.2
92.05259	0.2
95.01405	1.2
95.05039	0.8
97.02951	2.5
99.00876	0.7
99.04518	0.3
101.02440	10.3
103.00323	0.3
103.04073	0.3
105.01909	0.3
109.02946	0.5
109.06624	0.4
111.00830	0.2
111.04553	0.6
112.18951	0.2
113.02451	7.0
116.92850	0.2
119.03509	3.0
121.02917	0.3
123.00866	0.3
124.01658	0.2
125.02439	5.5
125.03335	0.4
125.06071	0.5
126.02776	0.2
127.04027	0.2
130.00554	0.2
131.03435	0.5
133.05087	0.6
135.08142	0.7
137.02473	0.2
139.04013	0.6
141.01985	0.2
143.03488	2.2
147.11829	0.3
149.04485	0.3
161.04541	2.7
163.11290	4.6
165.12819	2.2
167.03438	0.3
170.24591	0.2
179.05592	3.4
181.12315	0.5
185.04410	0.4
191.10806	1.2
199.06035	0.6
199.13286	0.3
209.11813	100.0
210.12148	5.1
217.07181	0.6
221.06664	1.7
227.12872	10.5
228.13219	0.5
231.80725	0.2
235.08224	4.7
251.12834	0.7
253.09293	0.9
255.23273	43.1
256.23599	2.7
259.08044	0.4
263.07651	0.2
287.07751	1.8
305.08762	1.6
323.09821	1.0
361.11392	0.3
379.12418	6.2
380.12732	0.5
397.13480	28.1
398.13824	2.1
415.14554	7.5
416.14789	0.9
519.01196	0.3
589.24500	1.0
607.26044	1.3
607.34839	0.2
608.26111	0.2
635.36224	0.4
653.37469	0.7
863.49231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	10.8
70.75112	1.9
71.01017	1.5
71.01383	20.4
72.99299	2.4
73.02950	3.4
73.73312	1.2
74.55273	1.2
78.95858	1.5
80.06891	1.2
80.31588	1.2
80.96490	2.1
81.03503	1.6
83.01395	4.2
84.64059	1.1
85.02979	5.8
87.00871	5.1
89.02020	1.5
89.02452	16.9
95.01370	1.7
97.02939	3.3
101.02441	15.5
106.29903	1.2
111.08152	1.2
113.02446	8.3
116.92867	4.1
119.03493	5.5
125.02435	4.5
126.51444	1.1
131.30959	1.4
143.03435	1.4
161.04457	2.9
165.12820	4.6
179.05659	1.7
183.13890	64.8
184.14247	2.1
199.13333	3.7
209.11861	11.7
221.06619	2.5
227.12880	16.4
235.08160	3.5
255.23296	53.2
256.23672	4.0
304.36746	1.3
306.71625	1.2
365.85684	1.3
379.12329	2.6
397.13547	19.8
415.14502	2.6
427.69241	1.3
508.58286	1.4
607.25885	2.3
625.27008	3.4
754.15765	1.5
775.68079	1.4
863.50018	100.0
864.50635	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	863.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04660	0.6
61.98829	6.4
65.53840	0.6
69.03449	1.5
70.37159	2.0
71.01384	21.6
72.99327	1.4
73.02953	3.3
75.00884	0.7
78.95905	1.4
80.96545	1.4
81.03452	0.6
83.01379	2.4
83.05007	0.7
85.02965	4.5
87.00878	5.0
89.02444	17.7
95.01388	1.5
97.02937	3.1
97.06608	0.6
99.00861	1.9
101.02444	13.9
111.04554	0.6
111.08168	0.8
113.02452	7.3
114.02847	0.8
116.92832	1.0
119.03505	3.0
125.02457	3.8
129.17062	0.6
135.05704	0.6
143.03516	2.2
161.04532	1.8
165.12866	6.5
169.48381	0.6
179.05554	1.6
183.13914	49.6
184.14224	2.0
191.11230	0.6
209.11832	4.4
221.06706	1.4
225.00616	0.7
227.12863	3.7
233.80099	0.6
235.08148	3.1
253.09175	1.0
255.23293	70.7
256.23672	4.2
277.21719	1.5
305.08682	0.9
313.53119	0.6
350.75659	0.7
371.76038	0.7
379.12418	1.4
397.13504	9.3
398.13342	0.7
415.14310	2.1
603.13959	0.7
607.25562	1.2
653.37634	1.0
845.49982	1.0
863.50067	100.0
864.33392	1.2
864.50287	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	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	1.4
69.03454	1.3
71.01379	16.3
71.29322	0.5
72.99308	1.6
73.02947	2.8
75.00885	0.3
78.95898	0.3
80.02675	1.2
81.03445	1.8
83.01403	1.8
83.05025	5.2
84.02169	0.9
84.57582	0.3
85.02945	3.9
87.00867	3.8
87.04462	0.3
89.02439	15.4
93.03420	0.3
95.01376	1.0
95.05040	0.6
97.02942	2.9
99.00883	1.0
101.02438	12.4
102.02825	0.4
109.02948	0.4
109.06574	0.3
111.04464	0.4
113.02448	7.0
115.03999	0.5
119.03503	4.2
125.02444	6.8
125.06068	0.3
131.03516	0.9
133.05067	0.5
135.08185	0.3
139.04047	0.5
141.01869	0.4
143.03500	2.9
147.11833	0.5
149.04510	0.8
161.04558	3.1
163.11272	4.0
165.12845	2.1
167.03493	0.5
179.05588	3.6
180.06062	0.3
181.12309	0.8
191.10773	0.9
199.06200	0.6
202.56371	0.4
207.10428	0.3
209.11810	100.0
210.12141	5.2
217.07085	0.7
221.06720	1.2
227.12874	12.3
228.13210	0.7
235.08229	5.0
236.08803	0.3
245.06598	0.4
253.09212	1.2
255.23274	51.8
256.23621	3.6
259.08249	0.8
263.07632	0.4
269.24704	0.5
283.68896	0.3
287.07861	2.1
297.24210	0.3
305.08777	1.9
323.09915	1.3
361.11359	0.4
379.12457	7.8
380.13104	0.6
397.13474	40.8
398.13770	2.9
415.14551	8.3
416.14944	0.4
589.25134	0.6
607.25653	0.7
635.36163	0.5
653.37653	1.2
863.49274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99315	0.2
67.01887	0.4
69.03455	0.2
71.01374	0.6
71.52296	0.2
73.02972	0.2
85.02950	6.4
87.00870	1.8
93.03460	3.8
99.04539	0.2
99.65314	0.1
109.02954	0.5
111.04535	0.9
117.03516	0.2
119.05034	1.2
125.02474	1.3
127.04006	1.9
133.02895	0.1
135.02982	0.2
137.02470	0.3
145.02963	0.8
152.70935	0.1
161.02419	0.4
163.00311	0.2
163.03984	1.2
165.01915	0.1
169.01393	0.4
171.02882	0.3
173.04555	1.5
191.05605	100.0
192.05952	3.0
286.30859	0.2
300.99881	0.4
302.00012	0.2
325.09323	0.2
337.09274	26.0
338.09552	1.5
495.14963	0.3
523.73022	0.2
875.68921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.0
63.32409	0.2
69.03447	1.2
71.01382	18.6
71.05003	0.3
72.99293	1.3
73.02951	2.7
75.00864	0.5
80.02671	1.0
80.71265	0.2
81.03451	2.6
83.01395	2.6
83.05029	5.0
84.02175	1.3
85.02943	4.4
87.00872	4.4
89.02447	15.1
89.48775	0.2
91.04036	0.3
93.03479	0.3
95.01389	1.0
95.05023	1.1
97.02938	2.8
98.64581	0.2
99.00879	1.1
99.04496	0.4
101.02445	13.5
102.02784	0.3
109.02953	0.5
111.04454	0.4
113.02448	7.9
116.92890	0.3
119.03503	4.0
125.02448	5.5
125.06071	0.7
131.03502	0.6
133.05118	0.4
133.64214	0.3
135.08139	0.8
139.03986	0.3
141.01880	0.3
143.03502	2.2
145.04950	0.3
149.04608	0.4
155.89957	0.3
161.04570	3.0
163.11296	3.5
165.12889	1.8
167.03419	0.3
167.39668	0.3
169.05038	0.4
178.17221	0.3
179.05591	3.9
181.12288	0.6
191.10809	0.8
199.06160	0.4
204.97426	0.3
209.11823	100.0
210.12144	5.1
217.07144	1.2
219.50177	0.3
221.06714	1.2
227.12877	10.9
228.13106	0.5
229.27122	0.3
235.08234	5.3
245.06592	0.3
251.12933	0.4
253.09274	0.7
255.23282	54.9
256.23602	4.1
259.08286	0.3
261.41684	0.3
263.07785	0.4
269.24927	0.6
287.07751	1.7
305.08881	1.7
323.09790	1.0
351.89624	0.3
361.11453	0.4
379.12457	7.6
380.12946	0.6
397.13495	38.8
398.13855	2.9
415.14566	8.6
416.15067	0.4
440.52295	0.3
589.25299	0.7
607.26007	0.8
635.36768	0.4
653.37708	1.0
762.42743	0.3
811.94794	0.3
863.47852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	4.1
69.03457	0.9
71.01380	17.0
71.53290	1.1
72.99300	1.0
73.02937	3.3
78.95911	0.9
80.02684	1.6
81.03465	2.1
83.01390	1.6
83.05018	6.1
85.02953	3.3
87.00880	4.5
89.02445	13.9
91.03946	0.8
95.01374	1.6
95.05038	0.8
97.02947	2.5
101.02442	13.5
109.06572	1.5
113.02431	5.6
116.92860	4.8
119.03497	4.2
125.02434	4.9
133.04968	0.7
143.03493	1.5
161.04532	4.0
163.11253	5.0
165.12831	2.6
179.05595	3.1
181.12354	1.0
207.10309	6.0
209.11813	100.0
210.12198	4.2
221.06522	1.0
225.11238	4.4
227.12892	12.4
235.08218	7.5
253.21732	9.2
255.23267	5.3
287.07779	2.0
289.17413	0.9
305.08755	2.0
313.22226	0.8
348.42239	1.1
379.12250	1.8
397.13495	53.1
398.13757	3.5
415.14575	21.7
416.15002	1.3
607.25787	4.1
861.48389	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	859.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	17.3
62.95094	3.5
62.99137	3.1
71.01397	5.9
75.00861	11.1
78.95937	3.6
82.11351	3.6
84.35835	3.4
85.02905	5.0
89.02397	5.6
97.78893	3.6
101.02441	7.6
103.00376	19.5
103.04026	4.3
115.38234	3.7
116.92873	23.6
117.92805	3.6
135.02866	3.5
156.06679	4.3
161.04527	5.4
171.10266	13.1
184.70830	3.2
205.52553	3.5
209.11844	5.1
235.08215	37.1
253.09268	36.7
277.21719	100.0
278.22104	5.6
301.00067	4.4
309.20764	11.4
327.18274	5.0
327.21771	78.1
328.22092	5.7
370.95486	3.8
413.11618	3.8
424.45657	3.4
513.31042	17.0
545.29645	14.0
587.42798	5.0
731.94745	6.0
823.52448	6.8
859.50421	28.0
860.50476	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	858.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	4.6
77.81042	3.1
82.95421	37.7
84.00910	100.0
84.95118	9.3
86.62324	3.3
144.33363	3.4
148.51048	2.8
232.30229	3.2
236.74806	3.4
243.81323	3.5
277.21707	58.8
278.21918	5.8
859.53497	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	859.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76526	1.7
60.58501	1.7
68.98386	1.4
71.51790	2.6
81.03487	1.7
83.01382	4.8
91.56555	1.6
93.03432	3.9
95.01402	2.5
95.05048	2.8
97.02950	4.0
107.04991	2.0
109.02959	22.7
109.53564	1.4
119.05052	3.4
121.02960	3.8
123.04520	13.0
124.57478	1.5
125.02444	100.0
126.02782	2.4
133.02977	4.6
135.04518	4.1
137.02451	20.3
139.03992	1.8
149.02438	7.1
151.04005	11.8
159.04482	3.3
161.02446	30.9
161.06085	4.3
162.03154	2.5
163.00307	3.3
163.03981	6.8
164.01157	4.7
165.01932	4.2
167.03488	2.2
175.04012	12.1
177.01906	6.6
179.03491	7.1
185.06039	2.1
187.03949	10.4
188.04707	3.5
189.05432	2.0
191.05614	5.6
201.01859	2.0
201.05432	2.7
203.03531	2.6
203.07133	8.0
205.01329	3.3
205.05048	4.9
211.03912	1.9
217.05168	2.7
221.08252	2.4
223.93980	1.7
227.03593	2.6
227.07175	3.1
228.04169	1.7
229.01421	2.6
229.05005	4.9
231.02925	3.0
241.05141	3.1
243.02956	4.8
245.04503	7.2
245.08154	13.4
249.04028	2.3
253.05063	1.9
255.02946	15.6
256.03699	7.5
257.04553	2.2
273.04062	5.3
275.01920	5.0
281.04550	3.4
283.02554	2.9
284.03189	2.2
285.04086	12.4
287.05643	17.4
289.07178	54.8
290.07446	2.5
297.04117	2.2
299.05554	5.6
300.99860	13.0
329.06744	2.1
339.08594	4.2
381.09790	3.3
389.06570	2.5
407.07678	63.6
408.08072	6.5
418.47443	1.9
425.08755	68.4
425.14569	3.7
426.09177	7.0
451.10248	18.3
452.09991	1.9
465.10397	3.5
505.15662	4.0
544.89789	2.0
577.13452	51.5
578.13788	5.6
650.98785	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	857.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84390	0.5
63.02377	1.3
70.72408	0.6
71.01369	1.1
71.53137	0.6
81.07333	0.5
83.01381	1.3
89.02419	0.5
93.03468	1.0
107.01392	1.6
109.02970	0.7
113.02451	0.7
117.03459	0.6
123.00835	0.7
125.02420	1.1
133.02956	8.4
134.03728	0.7
135.04524	9.3
136.04779	0.6
142.06647	0.8
143.04930	0.7
145.02875	0.6
149.06044	0.8
151.00385	3.0
161.02437	24.7
162.02852	0.7
163.00459	0.7
169.01399	1.1
171.04561	0.8
175.03963	0.9
177.05533	2.2
179.03513	7.3
183.04495	0.8
185.06027	0.9
187.03993	0.8
201.05508	0.6
203.03554	1.0
203.12837	1.8
207.30327	0.5
211.02390	0.6
221.04489	2.7
227.03491	15.9
227.13870	0.6
228.03801	1.0
229.05055	1.0
239.03526	0.8
240.04199	0.5
241.05228	0.7
245.13979	0.7
255.02969	20.7
256.03525	2.5
257.04602	1.4
280.06018	1.0
283.02371	2.6
284.03278	17.2
285.04031	100.0
286.04376	7.2
297.03903	0.6
323.07706	21.1
323.11569	1.0
324.08008	1.1
414.94345	0.5
447.09238	0.6
489.10352	13.0
490.10709	2.2
527.13971	1.5
609.12463	65.3
610.12878	8.6
701.27606	0.7
813.18793	7.1
814.18195	1.4
857.34985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	1.6
65.00330	5.3
69.20948	2.7
69.21370	2.4
81.68399	0.5
83.01395	2.3
93.03457	1.1
107.01384	9.6
109.02950	1.4
115.28583	0.5
115.55267	0.5
117.03444	2.1
119.04998	0.7
121.02962	2.5
125.02457	1.2
133.02998	0.8
135.00905	0.5
137.02434	0.9
143.05009	1.1
145.02962	5.5
149.02406	1.1
149.99596	0.6
151.00362	36.5
152.00676	1.3
161.02455	1.0
163.00400	1.4
163.04001	0.9
164.01070	0.6
165.01953	1.0
169.01404	0.9
171.04610	1.0
175.00333	3.6
175.03952	1.4
178.99852	10.8
183.04593	0.5
187.03926	1.3
189.02020	0.5
193.01320	0.7
199.03990	4.5
201.01883	1.2
201.05518	0.7
211.03935	0.8
215.03455	2.9
226.02704	1.7
227.03485	4.7
229.04938	0.6
242.02039	0.8
243.02963	6.1
255.02917	4.6
257.04495	0.6
271.02451	62.4
272.02783	4.4
283.02402	1.8
285.03928	1.2
299.01950	71.7
300.02652	29.0
301.03491	86.2
302.03897	4.3
313.03235	0.6
343.04605	0.8
419.60156	0.6
438.91635	0.6
459.09442	0.9
475.63779	0.6
487.08859	1.9
505.09882	6.2
608.11884	4.3
609.12421	100.0
610.12744	12.2
771.17371	1.3
813.18842	29.7
814.19006	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	851.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
65.00311	0.6
73.02946	0.7
80.84871	0.6
83.01363	0.8
87.69221	0.6
101.02399	0.8
107.01378	1.7
108.02177	1.1
109.02930	1.3
121.03011	1.5
142.95766	0.7
144.91528	0.7
151.00342	6.7
163.00354	2.2
178.99825	4.2
185.02357	0.7
226.02675	1.0
227.03423	2.3
229.01331	0.8
229.04913	0.8
229.21208	1.1
243.02968	6.7
244.03273	0.7
245.00961	1.0
245.04604	1.2
254.02254	2.0
255.02966	18.9
256.03430	1.6
271.02472	35.0
272.02927	4.2
283.02371	0.9
299.01950	1.0
300.02734	78.3
300.99875	17.1
301.03467	42.3
302.00540	1.4
302.03934	3.6
433.07724	100.0
434.08072	11.2
505.09747	12.0
506.10132	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	852.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.15573	0.1
80.96514	0.2
89.44623	0.1
129.23192	0.1
329.63611	0.1
377.52563	0.1
569.80011	0.1
698.85883	0.1
735.80444	0.1
853.48694	0.2
869.26239	0.1
884.35480	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	853.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46407	0.8
61.98832	11.8
63.96225	2.8
71.01378	9.8
72.79565	0.7
73.02953	1.9
78.95886	2.3
78.98590	8.1
79.95737	28.3
80.96518	96.3
82.96107	0.8
85.02955	4.0
87.00855	3.6
94.50414	0.8
94.98088	21.2
96.95988	2.0
97.02952	1.5
101.02415	2.9
106.98098	4.2
122.97552	5.2
125.02427	4.2
127.03987	1.4
134.97575	5.2
136.99132	2.4
148.99159	7.9
152.98627	7.6
161.04610	1.0
163.67662	0.8
164.98622	16.7
204.90492	0.9
206.99648	3.7
225.00740	23.4
271.18982	1.0
283.04794	2.6
558.35059	0.9
559.25635	1.7
575.24854	1.5
631.28253	1.1
853.47717	100.0
854.48077	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	2.4
63.02391	2.6
65.00329	2.4
65.61600	1.9
71.01363	9.1
72.99329	2.6
73.02941	2.7
81.03440	3.9
83.01400	5.4
85.02962	3.0
93.03458	3.7
97.02936	5.3
98.19762	3.9
101.02414	4.1
107.01402	2.6
108.02170	33.2
109.02388	3.5
109.02986	5.5
116.92779	2.1
119.05043	2.1
121.02945	4.3
123.04517	4.0
125.02462	14.6
134.03758	4.1
135.04501	2.5
137.02446	11.6
143.05038	6.7
145.02963	5.3
145.06589	2.5
146.03773	3.6
147.04427	2.4
149.02367	2.4
151.00340	3.9
151.04053	2.6
152.01120	16.3
153.01782	6.1
155.05063	2.6
158.03603	2.0
159.04485	13.2
161.02415	5.4
161.06067	2.1
163.00400	4.5
165.01917	7.2
167.03500	4.0
167.04930	2.1
169.01578	2.9
171.04465	11.1
172.05103	1.8
173.06108	4.8
174.03204	9.8
175.04004	8.4
179.03503	5.1
183.04495	3.9
185.06094	4.3
187.04007	15.0
188.04771	18.2
189.05544	22.2
190.02629	2.7
191.03539	4.3
191.05356	2.3
195.04492	2.6
195.06546	1.9
197.02396	4.7
198.03217	11.1
199.03996	30.0
200.04419	2.1
201.05629	3.5
202.02704	3.0
203.03496	6.3
211.04012	9.2
212.04669	4.3
213.01984	2.1
213.05527	5.3
214.02635	5.5
215.03462	19.7
216.04135	2.9
217.05057	39.5
219.03046	3.5
225.01758	2.5
225.05547	3.2
227.03488	100.0
228.03923	7.9
229.01392	5.9
229.05066	11.1
229.30113	3.3
230.02080	2.6
231.02942	2.4
231.06638	2.2
233.04568	2.8
235.03918	3.2
239.03481	6.9
240.04176	3.4
241.05072	5.4
242.02347	3.0
243.02997	27.6
244.03453	2.6
245.04501	6.8
248.04222	2.1
249.05447	2.4
253.01350	8.5
253.05069	5.0
255.02972	32.2
255.06587	6.1
256.03555	6.3
257.04526	15.7
261.03912	6.0
267.02930	2.1
269.04382	2.3
271.02460	18.9
277.05109	2.4
279.06674	2.1
280.03778	3.9
281.04544	13.1
283.02390	9.9
284.03259	37.9
284.06113	3.4
285.04031	62.1
286.04388	5.3
293.08377	2.0
295.06204	3.2
299.05518	3.0
303.06451	2.4
305.04327	3.0
319.06055	4.4
323.05554	6.1
325.03564	2.1
337.07190	4.5
341.06479	3.7
342.06909	2.3
347.05505	8.8
365.06561	8.7
367.04620	10.3
381.05933	3.2
387.07153	2.3
391.04538	8.1
405.08194	5.3
409.05447	12.9
415.06613	4.3
419.09796	16.3
420.10159	15.5
421.10349	14.2
425.14551	2.7
431.09653	5.9
447.09421	3.9
451.06644	5.2
553.09729	11.8
571.10931	43.6
572.11200	2.9
689.11066	2.7
691.12793	7.5
701.11359	33.4
702.11713	7.5
719.12683	7.3
839.14557	5.9
857.15857	20.1
858.17047	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	850.408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98529	0.2
71.01313	0.5
78.91879	0.2
81.27197	0.2
125.02444	1.0
155.15807	0.2
158.49725	0.2
169.01474	1.0
191.03400	0.2
209.11884	0.3
212.52309	0.2
275.01974	0.3
300.99973	0.7
391.02826	0.2
431.80203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98534	0.2
69.50314	0.3
69.50716	0.6
78.80672	0.1
80.33375	0.1
84.69442	0.1
92.29424	0.1
134.45801	0.1
209.11812	0.2
608.90002	0.2
851.40796	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	850.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98831	100.0
64.95879	0.2
69.31257	0.4
69.31657	1.4
71.01390	0.3
96.76578	0.2
98.19869	0.3
116.92886	0.2
125.02473	0.3
169.01431	0.4
180.05644	0.2
209.11877	0.4
217.44884	0.2
301.00015	0.5
438.53201	0.2
503.34268	0.4
520.73138	0.2
569.62982	0.2
852.14264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98831	100.0
64.95879	0.2
69.31257	0.4
69.31657	1.4
71.01390	0.3
96.76578	0.2
98.19869	0.3
116.92886	0.2
125.02473	0.3
169.01431	0.4
180.05644	0.2
209.11877	0.4
217.44884	0.2
301.00015	0.5
438.53201	0.2
503.34268	0.4
520.73138	0.2
569.62982	0.2
852.14264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.52164	0.3
71.59700	0.2
75.90708	0.2
78.95908	0.4
95.67270	0.2
133.56944	0.2
175.89113	0.2
294.77890	0.2
298.07385	0.3
330.95795	0.2
347.90402	0.2
410.30203	0.2
416.26868	0.2
439.23911	0.2
528.50116	0.2
543.62866	0.2
584.06195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.7
61.07985	0.5
71.01383	0.7
83.01396	0.6
98.19878	2.1
107.01396	1.1
109.02965	1.0
112.52752	0.7
121.02930	1.0
129.03490	0.8
145.02953	1.2
151.00401	4.8
157.02989	0.9
163.00397	1.0
163.04016	0.7
173.02388	1.8
178.99881	2.3
185.02457	2.9
200.01201	0.6
201.01941	2.5
217.01405	0.8
226.99942	0.9
227.03398	1.2
229.01456	4.5
229.65736	0.9
243.02991	4.1
245.00891	1.9
254.02098	1.0
255.02963	11.6
256.03223	0.7
257.00970	1.7
271.02463	23.0
272.02850	2.1
283.02277	0.8
283.99664	3.3
299.95856	0.6
299.99194	2.6
300.02713	50.2
300.99872	100.0
301.03406	22.7
302.00314	6.4
302.03586	1.5
416.34399	0.6
463.08704	1.8
505.09860	80.8
506.10181	8.3
572.29370	0.6
656.02704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.5
63.02407	0.6
63.61856	0.5
65.00301	0.8
69.61880	3.6
71.01402	0.8
78.28557	0.7
107.01370	1.7
108.02207	1.0
109.02942	1.5
121.02914	1.5
135.00938	0.8
148.01692	1.0
151.00352	8.0
163.00400	1.8
178.99846	4.0
183.04573	0.6
201.05411	0.7
226.02711	0.7
227.03429	2.1
243.02937	5.6
254.02200	1.7
255.02992	16.0
256.03571	1.0
271.02463	36.0
272.02957	3.6
273.04019	0.8
283.02347	1.0
300.02737	76.2
300.99878	12.8
301.03464	40.9
302.00336	1.0
302.03784	2.5
433.07724	100.0
434.07977	8.9
505.09845	8.7
506.10001	1.2
650.85004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.2
61.98837	11.9
68.02290	0.9
69.03456	1.8
69.41640	5.9
71.01385	13.4
73.02934	2.3
73.05215	0.8
73.55806	0.9
75.00843	1.2
77.48387	0.9
78.00807	0.9
78.95898	1.4
83.01411	1.3
85.02955	2.5
87.00876	3.3
88.98795	3.7
89.02439	10.5
95.01411	1.5
95.05011	1.9
97.02936	2.5
97.06581	13.8
99.00885	1.2
101.02429	9.1
104.36179	1.0
113.02456	3.5
119.03472	2.4
123.08179	6.8
125.02435	3.8
125.09721	95.3
126.10041	3.7
143.10744	1.2
161.04529	2.3
169.01396	2.8
169.08679	2.8
179.05669	1.4
187.09752	68.5
188.10104	2.6
221.06606	4.0
275.02112	1.6
277.21729	10.4
299.98944	1.1
300.99799	3.6
397.13596	1.7
471.34540	2.9
503.47049	1.2
545.20038	1.0
567.22870	2.7
585.23907	5.4
845.45355	100.0
846.45685	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
60.99308	19.7
61.98823	3.3
69.15663	5.8
71.01375	2.6
73.02950	0.7
74.31644	0.5
81.03454	0.5
83.05032	0.7
85.02968	0.8
86.35427	0.5
87.00887	3.1
88.00405	5.2
88.98808	100.0
89.02444	28.0
89.99139	0.7
92.43913	0.5
98.20668	1.2
101.02449	1.9
113.02448	1.1
116.92820	0.9
125.02447	2.0
146.52536	0.5
163.11301	0.9
178.56776	0.5
209.11812	18.0
210.12170	0.9
235.08145	1.2
255.23273	9.1
276.13260	0.6
277.21744	1.1
297.54422	0.5
300.99753	0.8
360.22275	0.6
379.12485	1.3
397.13394	5.4
415.14874	1.4
566.74701	0.7
878.21503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.5
61.98841	7.4
63.02905	1.5
71.01379	17.9
73.02946	2.0
75.45879	1.4
78.95901	2.4
79.57973	1.4
83.05073	1.6
85.02929	3.6
87.00859	4.7
88.98811	2.3
89.02447	10.8
90.62628	1.4
95.01372	2.2
97.06596	13.3
98.20685	3.7
101.02448	10.3
103.84683	1.3
113.02402	3.5
119.03499	3.2
120.07887	1.3
123.08190	6.9
125.02404	4.5
125.09724	66.8
126.10028	3.0
142.49648	1.3
161.04594	1.5
169.01501	2.0
179.68771	1.3
187.09769	33.8
221.06610	1.6
235.07965	1.6
236.04309	1.5
277.21759	26.3
278.22223	2.0
300.99542	2.1
303.30246	1.4
397.13406	4.3
471.34726	7.1
567.23492	2.2
585.23688	2.8
697.59644	1.6
845.45288	100.0
846.45605	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	846.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.37460	0.5
70.37814	0.2
78.95901	0.3
195.17424	0.2
255.23218	0.2
256.80609	0.2
266.64185	0.2
293.38315	0.2
417.55093	0.2
437.15778	0.2
474.83878	0.2
694.82611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.427
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55930	0.2
61.98829	100.0
62.98514	0.2
69.31178	1.3
69.31587	0.3
71.01395	0.2
96.33355	0.2
125.02459	0.3
127.07611	0.2
129.47725	0.2
160.05974	0.2
169.01398	0.3
171.06628	0.3
227.86786	0.2
287.05981	0.2
307.60315	0.2
414.21997	0.2
427.36719	0.2
573.72925	0.2
629.27612	0.2
849.40131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73804	13.5
61.98832	100.0
66.80699	10.4
70.26189	43.3
76.95259	10.8
78.95905	66.3
80.96533	15.1
81.96201	9.6
83.16891	9.8
83.65159	11.8
90.71580	10.9
115.92084	13.2
116.92841	13.6
152.99567	24.9
159.26053	10.4
162.65456	12.0
168.76065	11.0
179.89154	11.8
186.67238	12.0
201.99644	11.9
223.20453	11.3
248.40898	10.8
277.21631	68.6
309.20615	22.1
348.71124	11.6
410.26346	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	841.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13757	15.3
61.38131	13.8
61.98822	100.0
78.95896	70.5
98.19797	39.3
98.50919	15.3
102.37836	15.1
114.23419	15.2
115.92072	18.6
116.65621	16.8
116.92823	26.9
141.45081	14.0
155.52498	15.6
196.89406	18.6
197.11780	21.6
227.94977	15.4
253.09097	17.6
277.21683	86.1
309.20728	40.2
377.73944	15.4
841.49768	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	843.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68743	1.1
59.01381	31.5
61.98837	7.6
71.01382	53.8
71.05005	1.1
72.99291	3.0
73.02943	10.4
83.01405	6.2
83.05030	1.2
85.02950	17.7
87.00878	3.3
89.02448	23.1
95.01389	2.7
96.96000	1.5
97.02934	3.7
98.20649	2.9
99.00889	6.3
101.02439	38.8
101.03108	1.8
109.84529	1.1
111.00854	1.9
113.02453	20.1
119.03507	10.4
121.02914	1.8
123.00903	1.0
125.02403	6.6
130.08727	6.5
131.03477	2.9
143.03479	4.1
159.02922	2.2
161.04590	13.8
169.01453	3.1
171.10138	1.4
179.05606	13.2
193.05136	1.2
209.04478	2.2
211.13391	2.3
221.06651	5.1
225.14894	1.3
230.04318	1.0
245.06677	1.4
263.07657	4.4
292.40836	1.2
300.99872	4.4
322.20175	4.4
323.09726	3.4
323.20499	2.7
341.23309	15.5
353.40680	1.1
371.25845	1.1
439.32117	1.9
457.32828	3.2
459.34543	1.4
466.53171	1.0
501.32278	29.9
502.32498	4.8
520.33136	2.3
621.40143	20.6
622.40045	4.2
783.45349	100.0
784.45715	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.7
70.39229	0.4
70.39587	0.1
73.02947	4.2
75.00885	0.2
78.95921	0.2
80.96502	0.1
89.02436	0.3
98.19916	0.1
99.00851	0.7
99.92583	12.1
100.92605	0.5
114.93438	0.3
115.00356	0.3
116.92860	100.0
116.97204	0.9
117.01935	7.0
117.92864	3.9
135.46257	0.1
141.90656	0.1
152.99594	0.2
155.89455	0.1
209.11903	0.2
234.19377	0.2
238.47455	0.1
640.45374	0.1
701.51904	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	841.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	37.1
60.83173	0.6
61.98820	6.4
68.99810	0.7
69.03429	2.5
69.40645	4.0
69.41061	1.5
71.01379	57.3
71.05004	0.9
72.99303	3.5
73.02945	15.7
75.00872	1.1
77.50783	0.6
78.61987	0.6
80.96524	0.9
81.03454	1.6
83.01382	7.4
85.02457	1.1
85.02953	19.4
87.00881	3.7
89.02439	26.3
95.01391	5.4
97.02943	3.8
99.00883	4.8
101.02441	42.9
102.02795	1.0
111.00863	2.5
113.02449	18.9
119.03492	12.3
125.02462	7.2
129.01927	1.1
130.08725	1.4
131.03488	3.0
132.15292	0.7
143.03490	5.4
145.05055	0.7
149.04501	1.2
159.02994	1.6
161.04553	13.6
169.01430	1.6
179.05617	15.6
209.11848	1.0
211.13310	0.8
221.06645	5.3
233.06610	1.4
245.06665	1.6
261.81686	0.7
263.07605	2.2
300.99850	1.8
322.19946	0.9
323.09946	5.5
351.98886	0.7
385.53549	0.7
457.33194	1.5
481.48508	0.7
619.38470	20.8
620.38757	3.1
781.43805	100.0
782.44141	20.7
841.39185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.5
61.98828	0.3
63.02392	0.4
65.00340	0.4
69.41035	2.0
79.42928	0.2
80.13663	0.2
81.06091	0.2
83.01385	0.7
86.02534	0.3
90.46181	0.2
93.03483	0.6
98.19963	0.6
107.01385	1.3
109.02910	0.4
113.11758	0.3
117.03464	2.6
119.05027	1.0
123.00855	0.4
125.02471	1.3
137.02449	0.3
141.08232	0.3
143.05110	0.3
145.02959	5.6
151.00357	2.4
155.04947	0.4
161.02460	0.3
163.00455	0.4
163.03949	0.5
165.01918	0.4
169.01382	1.5
169.06548	0.6
183.04507	0.7
185.06055	1.0
187.03986	0.6
194.94159	0.2
201.05507	0.3
211.03889	0.6
213.05527	0.8
227.03485	4.9
228.03903	0.3
229.05002	0.8
231.02968	0.3
239.03435	0.6
241.05051	0.4
243.02939	0.3
255.02974	9.5
256.03561	0.9
257.04504	0.4
283.02490	6.2
284.03244	6.3
285.04031	100.0
286.04379	5.4
297.04120	0.3
307.08228	0.6
310.01270	0.3
327.05008	0.5
393.79440	0.3
489.10452	3.0
500.07138	0.6
515.08368	0.3
533.03760	0.3
593.12982	40.9
594.13348	5.1
797.18481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.1
61.98820	0.3
63.23683	0.1
64.95449	0.1
70.11221	0.4
73.02944	4.4
75.00892	0.2
76.50111	0.1
78.95911	0.2
91.89821	0.1
94.61080	0.1
98.05385	0.1
99.00864	0.8
99.92584	12.6
100.92604	0.7
100.93297	0.1
112.21777	0.1
114.93401	0.6
115.00383	0.2
116.92861	100.0
116.97200	0.8
117.01936	7.2
117.05550	0.1
117.92875	4.6
209.11838	0.3
230.39355	0.1
277.21713	0.3
367.27908	0.1
639.06305	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	839.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
61.98828	7.8
67.01895	0.6
67.47671	0.4
69.85645	0.4
71.01407	0.8
71.52724	0.5
71.53150	0.7
79.28893	0.4
87.00859	0.5
88.98782	0.7
89.87659	0.5
93.03462	4.7
96.96013	1.3
108.02225	0.5
109.02964	1.2
116.92843	2.6
119.05007	1.0
121.02946	5.9
122.03744	17.1
123.00875	1.2
124.01653	0.6
125.02460	2.3
133.02937	1.4
134.03726	0.5
135.04532	0.7
136.01654	2.2
137.02426	1.3
143.06598	0.5
145.02997	0.7
147.04488	2.1
149.02437	23.1
150.03223	100.0
151.00354	5.0
151.03616	3.8
153.02010	0.6
159.04489	0.9
164.04790	3.7
165.05562	96.6
166.02705	8.1
166.05881	3.5
169.01454	1.2
175.04012	2.9
177.01886	0.6
179.07141	2.1
180.04295	5.7
181.05054	19.0
182.05449	0.8
187.04002	1.1
190.20241	0.5
191.05621	1.4
192.87587	0.5
195.06616	70.4
196.06943	2.9
203.03500	17.4
204.03944	0.9
217.04970	1.0
218.05820	15.6
219.06377	1.1
233.08176	29.2
234.08456	1.9
276.85013	0.5
300.99878	1.0
308.58994	0.4
308.63251	0.5
329.10251	1.1
329.23416	0.7
373.12723	0.7
377.12280	0.6
385.12894	0.5
415.13788	1.7
447.16534	1.9
493.15271	0.6
553.51685	0.5
563.18658	0.8
570.33057	0.7
595.21869	4.9
611.21436	2.8
612.21124	0.7
704.20862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98820	1.4
67.01891	0.7
69.19407	3.6
69.59157	0.3
71.01404	0.8
73.41885	0.4
85.02952	0.4
85.06625	0.6
93.03442	3.5
101.02431	0.4
108.02179	0.5
109.02959	2.2
112.10887	0.4
121.02962	4.9
122.03750	12.2
123.00908	0.8
123.95512	0.4
124.01695	0.7
125.02497	0.5
133.02960	1.1
134.03726	0.6
135.04538	0.8
136.01671	5.7
137.02443	16.9
137.09967	0.4
138.03239	0.7
146.03708	0.8
149.02435	16.2
150.03224	75.3
151.00397	3.3
151.04021	9.0
152.01102	0.9
153.01982	0.5
161.02475	0.7
162.03215	0.7
163.03967	0.9
164.01158	1.2
164.04803	3.4
165.01929	74.3
165.05565	76.6
166.02701	9.1
166.05867	2.9
167.03442	1.3
169.01434	0.7
171.10175	0.4
175.03922	0.7
177.02017	0.9
177.05577	1.3
178.02643	0.7
179.03502	12.9
179.07158	3.0
180.04277	43.0
181.05058	14.3
189.68707	0.3
192.04326	0.7
193.05034	0.8
194.05827	2.4
195.06619	100.0
196.06960	4.2
205.05083	1.6
207.06679	1.0
209.08224	3.1
209.11766	0.6
210.05356	7.7
211.06012	0.9
219.06538	0.8
220.07465	0.9
225.07672	42.5
226.07971	2.4
250.24579	0.4
251.09366	0.4
308.23096	0.4
351.62735	0.4
359.11322	0.6
372.11963	0.4
373.13077	0.6
387.11450	0.4
387.14670	3.6
402.13370	1.0
403.13968	1.6
416.14548	0.5
417.15518	13.1
418.15671	1.3
421.15149	0.4
465.66641	0.5
471.16684	0.5
560.24542	0.5
565.21155	4.0
595.21814	11.0
596.22339	1.4
613.22754	2.3
614.23102	0.6
625.22992	1.3
639.31622	0.5
643.23700	3.2
644.24304	0.5
743.27673	1.2
744.26978	0.8
791.29279	1.3
792.30035	0.6
839.31238	1.5
840.31390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
61.98838	2.4
67.01905	1.7
71.01384	1.3
76.75262	0.5
87.37143	0.5
93.03437	3.6
95.01409	1.0
101.02501	0.6
107.05036	0.6
108.02203	1.1
109.02991	3.5
113.78717	0.6
121.02979	6.4
122.03743	11.3
123.00846	0.9
123.04514	1.3
124.01690	0.8
125.02429	0.9
133.02913	1.5
134.03734	1.8
135.04507	1.3
136.01668	9.3
137.02441	22.8
138.03204	0.6
139.00255	0.6
146.03746	1.2
147.00945	0.8
147.04471	0.9
148.01683	0.8
149.02449	23.6
149.06062	2.1
150.03230	74.8
151.00369	4.6
151.04021	25.3
152.01117	0.8
152.04738	1.8
153.02043	0.7
161.02437	1.6
162.03249	1.4
163.04114	1.5
164.01149	2.1
164.04817	7.1
165.01930	97.0
165.05566	69.5
166.02718	16.2
166.05888	2.3
167.03424	1.4
169.01472	0.7
175.03929	1.4
176.04774	0.6
177.01953	1.3
177.05566	2.6
179.03499	21.9
179.07118	10.2
180.04279	58.8
181.05054	31.3
182.05386	0.7
184.03781	0.6
187.04056	1.1
191.03514	0.9
191.05600	0.9
191.07199	0.8
192.04308	1.0
193.05055	0.9
194.05893	4.2
195.03026	2.7
195.06619	100.0
196.06999	3.5
196.08475	0.6
205.05022	3.2
207.06636	1.5
209.08209	7.3
209.11755	1.1
210.05318	11.1
211.05977	1.2
219.06520	0.9
220.07423	2.4
225.07678	47.1
226.07982	1.4
359.11383	0.7
367.59534	0.5
372.12207	1.1
373.12991	1.1
387.10556	1.7
387.14850	4.5
402.13339	1.3
403.13861	2.9
416.14697	2.2
417.15546	15.1
418.15744	1.2
451.16342	0.7
535.15918	0.7
550.17865	0.9
551.19055	0.7
564.19952	2.2
565.20874	16.9
566.20740	2.0
580.18616	0.8
594.20947	3.2
595.21857	17.5
596.21655	2.7
613.22705	4.8
614.22473	0.7
619.21411	1.2
625.22198	1.5
643.23846	2.4
649.37238	0.8
667.24127	0.7
743.27112	10.6
744.27386	2.1
773.27502	3.3
791.29083	2.3
839.30872	2.8
840.31989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52749	0.3
100.66881	0.4
111.00844	0.6
125.02438	0.3
145.02943	0.8
147.04483	0.4
151.89317	0.3
157.02956	0.7
161.02419	0.6
173.02431	1.3
185.02405	1.8
189.01923	0.4
189.65446	0.3
201.01854	1.9
217.01291	0.3
229.01436	3.4
245.00943	1.3
257.00964	1.3
283.99570	2.3
298.98486	0.5
299.98984	1.6
300.99881	100.0
302.00168	6.0
303.00470	0.6
346.24890	0.4
774.38293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.4
61.98831	15.4
71.00513	2.3
71.01373	3.5
75.00846	1.5
78.43318	1.1
89.02420	1.4
93.03432	4.1
96.95964	2.0
101.02458	2.6
109.02946	2.7
111.00834	1.3
113.02347	1.6
115.00208	1.2
116.92860	2.6
119.04951	1.7
121.02979	5.6
122.03745	11.8
123.00905	3.3
124.01621	1.7
125.02444	4.9
127.03935	1.3
133.02892	1.2
134.50336	1.3
134.88646	1.2
135.04529	2.6
136.01634	5.1
137.01591	1.4
137.02443	14.8
138.03204	2.0
147.04399	1.6
149.02452	16.6
149.06046	1.4
150.03221	76.8
151.00334	7.3
151.04022	9.1
153.01930	1.5
161.02374	1.9
162.03279	1.2
163.00337	1.8
163.03975	1.6
164.04767	3.5
165.01924	62.7
165.05571	76.9
166.02710	12.8
166.05875	1.8
169.01323	2.9
175.03819	1.5
175.44353	1.2
177.05577	1.4
178.02663	3.4
179.03502	12.0
179.07079	3.7
180.04279	38.7
181.01299	1.9
181.05060	20.3
187.13452	1.2
191.03494	2.2
191.05553	1.3
192.04216	1.3
193.01364	3.8
193.04955	3.2
194.05812	2.9
195.06616	100.0
196.03752	2.6
196.06979	4.1
203.03485	1.3
207.02875	1.7
207.06654	1.7
208.03717	5.4
209.04477	1.3
209.08134	2.6
209.11818	3.6
210.05374	7.1
211.06126	8.7
217.01122	1.2
219.06625	1.3
223.06091	11.8
225.07678	43.5
226.08015	2.5
241.07167	6.3
251.09177	4.3
264.88834	1.2
300.99872	1.7
349.18320	1.4
373.12912	2.8
387.10248	1.8
387.14499	5.5
403.13812	6.5
417.15497	14.4
511.97043	1.4
565.20074	3.0
595.21667	10.3
613.23035	3.3
629.22241	3.8
643.24341	3.0
839.29718	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	837.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
61.98834	1.1
63.96239	3.0
69.03453	1.3
69.80479	3.0
71.01006	0.8
71.01382	10.4
72.24419	0.5
73.02942	2.3
78.98589	7.7
79.95280	1.2
79.95734	15.7
80.96517	100.0
81.03445	1.0
83.01370	0.9
85.02948	4.1
87.00860	2.9
94.98087	22.5
95.01392	0.6
96.95995	0.8
97.02946	1.8
99.00835	0.6
101.02420	2.7
105.07288	0.5
106.98074	3.7
122.97586	4.7
125.02430	3.5
127.04008	0.8
134.97594	5.6
136.99130	2.3
148.99156	8.1
152.98611	6.8
158.37558	0.5
164.98628	13.2
206.99677	2.8
225.00746	17.4
277.21664	2.0
287.97443	0.5
546.95642	0.6
559.25885	3.0
837.48230	97.1
838.48511	20.2
854.03918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
61.98827	5.7
63.96235	2.0
69.03444	0.7
69.24862	0.5
70.57741	1.5
71.01380	10.4
73.02964	2.4
78.98587	8.9
79.95737	16.8
80.34059	0.5
80.96516	100.0
81.03447	1.0
83.01353	0.5
85.02948	3.6
87.00883	3.7
94.98088	19.1
96.96027	1.6
97.02943	1.8
99.00854	0.8
101.02435	3.2
106.98092	4.7
122.97583	4.4
125.02414	3.2
127.03993	1.4
134.97585	6.3
136.99139	1.1
146.97644	0.7
148.99133	7.5
152.98634	7.2
164.97316	0.9
164.98633	12.7
184.35629	0.5
206.99664	2.6
225.00723	17.8
233.83464	0.6
277.21741	2.5
282.15506	0.5
286.15210	0.6
543.01813	0.6
559.25580	3.4
837.48224	96.8
838.48523	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	838.531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.96234	0.5
78.95918	0.9
80.96511	0.9
87.00906	0.2
90.76947	0.2
94.98096	0.3
96.96015	0.2
145.63667	0.2
196.89508	0.2
216.31332	0.2
229.14159	0.2
243.40744	0.2
519.48853	0.3
838.48041	0.6
839.51440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.7
61.98829	40.9
68.99819	18.7
71.01366	2.7
72.99300	1.8
80.58432	1.1
81.03490	1.7
88.98787	2.5
95.01398	4.5
95.05023	1.5
96.96030	1.3
97.02930	1.6
105.03437	1.4
107.05016	1.5
108.02160	1.9
109.02941	6.9
111.00892	1.9
111.41936	1.1
113.02390	1.2
120.02169	1.1
121.02948	7.0
122.03742	8.4
123.00893	16.0
123.04535	2.7
124.01685	2.1
125.02451	14.7
133.02943	2.7
136.01651	4.7
137.02440	11.5
137.99615	1.2
138.03229	34.3
139.00317	2.1
139.03998	4.8
146.03650	1.5
147.00891	2.4
148.01685	2.2
149.02426	15.7
150.03229	45.0
151.00406	2.3
151.04025	7.3
153.01942	13.6
153.05571	42.1
154.05887	1.5
160.01694	1.6
161.02467	3.3
161.06068	1.5
162.03212	3.8
163.00362	4.0
163.03990	2.8
164.04765	5.5
165.01923	13.9
165.04170	2.1
165.05563	38.4
165.92929	1.1
166.02715	7.2
166.05914	1.4
167.07106	1.6
168.02904	2.4
168.04276	30.9
168.05707	1.9
169.01445	1.3
175.00378	10.2
175.03902	1.4
176.01131	35.0
177.00356	1.3
177.01932	25.4
177.05518	3.0
178.02710	16.2
179.03438	3.1
179.07135	19.0
180.04210	8.5
181.05069	8.8
191.03488	27.2
192.04272	45.0
193.01401	26.5
193.05019	18.9
194.01996	2.2
195.06628	15.3
201.11430	1.5
205.04980	4.0
207.04672	2.6
207.06624	49.2
208.03761	39.2
208.06934	3.1
209.04453	5.0
209.11809	3.9
211.13377	2.5
219.06625	3.5
223.06102	100.0
224.06595	8.0
225.07689	3.0
227.12837	1.8
238.04730	2.1
254.90079	1.1
300.99854	2.4
345.62823	1.2
372.12204	1.3
377.12814	1.3
387.10495	1.3
397.13898	1.4
417.15509	3.4
419.02811	1.4
548.31512	1.2
565.20575	2.8
611.20764	3.1
623.21259	1.4
640.21466	23.3
641.22186	13.8
642.22809	1.6
695.23273	1.8
789.26501	1.4
807.28473	2.6
808.27240	1.4
819.28937	2.2
837.29529	35.9
838.29425	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	837.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.5
61.98831	12.1
68.99820	13.2
69.36175	3.2
69.36580	9.1
71.01389	7.0
75.00886	2.6
78.95885	2.7
79.95727	5.1
80.34062	1.5
80.96518	21.0
85.02974	2.1
87.00909	2.6
88.98804	2.4
89.02444	2.3
93.03476	4.5
94.98095	4.0
95.01369	5.1
96.96007	26.1
96.96964	2.9
97.02939	2.7
98.95595	11.2
98.96387	1.8
101.02465	2.7
108.02168	2.6
109.02943	5.9
111.00883	2.2
121.02941	8.5
122.03724	14.4
123.00864	12.1
123.04523	1.8
124.01653	2.8
125.02435	13.6
133.02873	1.8
136.01701	2.7
137.02444	8.7
137.99675	2.0
138.03220	30.8
139.04004	4.5
146.03769	2.0
146.63853	1.8
149.02454	22.4
150.03224	70.7
151.00371	2.4
151.03816	5.5
151.83986	1.6
152.98625	2.3
153.01936	11.2
153.05573	38.5
154.05872	1.7
160.01697	2.1
161.02415	3.8
162.03239	3.1
163.00339	3.4
164.04770	5.6
164.98619	3.8
165.01915	8.0
165.05559	66.3
166.02696	7.3
166.05859	4.2
168.04274	33.2
169.01421	6.7
175.00366	12.2
176.01140	32.6
177.01941	23.5
177.05499	2.9
178.02678	12.0
179.03526	3.9
179.07129	23.3
180.04205	7.8
181.05049	7.4
183.13857	2.3
188.26489	1.6
190.02670	2.6
191.03499	22.6
192.04279	40.4
193.01428	23.5
193.05026	17.3
195.04858	2.0
195.06621	27.5
196.06960	1.5
197.11751	2.8
201.11351	3.0
205.05148	3.9
207.06613	46.3
208.03741	36.5
208.06851	2.6
209.04431	5.0
209.11801	9.4
211.13387	4.3
219.06651	3.2
223.06091	100.0
224.06564	5.5
225.00696	4.7
225.07655	1.6
227.12852	4.0
238.04941	2.0
300.99731	4.6
329.23074	3.2
396.32520	1.6
397.13464	2.3
417.15411	4.1
611.21716	2.6
640.21533	12.7
641.22284	17.5
807.29315	2.2
837.27063	31.7
837.41663	8.4
838.27838	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	836.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98829	100.0
62.15840	0.2
62.28564	0.2
67.56947	0.2
71.01389	0.3
71.53331	0.2
80.96517	0.5
87.01705	0.1
88.98809	0.2
94.33882	0.1
96.96025	0.3
104.66248	0.1
116.18929	0.1
125.02470	0.7
142.06320	0.2
145.03014	0.2
169.01469	0.5
183.14018	0.2
209.11879	0.4
281.27539	0.2
300.99969	0.5
376.39905	0.1
382.94095	0.2
680.65967	0.2
836.39679	0.3
837.38837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
66.23273	0.1
69.85437	0.6
75.14017	0.1
98.19917	0.2
106.05929	0.1
124.35464	0.1
168.15462	0.2
168.19966	0.1
171.98643	0.1
299.82571	0.1
314.46191	0.1
344.47357	0.1
510.38708	0.1
530.26752	0.1
580.45636	0.1
775.66516	0.2
837.48053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.0
60.99297	0.9
61.98829	3.3
64.83390	0.7
67.01886	1.6
69.03458	2.1
71.01379	3.2
71.48869	0.8
71.53684	0.9
72.99318	1.0
73.62665	0.8
79.01910	1.1
81.03455	1.3
83.01380	1.0
85.02956	1.1
88.98803	3.5
93.03471	1.2
95.01378	3.5
96.99258	0.7
97.02942	2.6
101.02444	1.0
107.01388	13.1
109.02951	1.9
111.00874	4.0
113.02466	1.3
117.03455	0.8
120.83355	0.7
121.02957	1.4
123.00886	15.4
123.04537	0.9
124.01707	2.1
125.02450	70.3
126.02768	1.3
127.00401	1.1
128.26099	0.7
133.02946	1.2
135.00891	0.7
135.04526	1.5
136.98836	0.9
137.02432	1.9
139.00389	6.1
139.03999	1.1
140.01151	5.0
141.01967	1.3
143.03511	0.8
143.05057	1.0
145.03009	1.7
149.02435	1.2
151.00342	9.7
151.04060	1.4
153.01894	1.6
159.04514	0.7
161.02385	5.1
163.00426	1.6
163.04033	1.4
165.01950	1.9
166.02734	1.7
166.99887	2.3
167.03496	1.0
168.00687	7.7
169.01427	100.0
170.01755	2.6
173.02469	0.8
175.04019	0.8
177.01878	2.1
179.03525	7.7
187.03990	1.1
191.03485	2.2
193.01393	2.9
205.01418	1.4
205.05151	1.1
207.02966	1.3
209.04543	1.3
211.04120	1.1
213.05383	1.0
221.00847	0.8
227.03566	2.1
229.05104	2.5
233.04765	1.0
235.02385	1.5
255.03020	4.7
256.03601	0.8
257.04633	1.5
283.02554	1.1
284.03281	3.0
285.04037	14.0
286.04416	1.4
293.06638	1.5
295.04697	1.7
300.99951	0.9
313.05710	0.9
337.05597	6.5
355.06702	35.8
356.07037	2.0
463.08731	10.5
464.09015	1.1
465.06192	0.8
507.07764	65.9
508.08084	6.8
581.29529	0.9
623.10315	1.1
641.11737	4.9
642.12024	1.0
793.12787	6.5
794.13123	1.5
837.28705	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	835.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.5
59.01379	9.2
61.98817	0.4
62.51020	0.3
69.03443	0.6
69.21748	1.9
71.01382	8.4
71.05010	0.2
72.99294	0.6
73.02937	1.4
80.02668	1.3
81.03459	1.9
83.01391	0.9
83.05025	6.0
84.02161	1.1
85.02954	2.0
87.00871	2.1
88.95088	0.2
89.02442	7.9
93.03459	0.5
95.01373	0.7
95.05034	0.7
97.02943	1.1
97.06584	0.2
99.00884	0.5
101.02444	6.1
102.62214	0.2
109.02908	0.3
109.06616	0.4
110.55704	0.2
111.00926	0.2
113.02451	3.6
113.40279	0.2
119.03519	1.7
121.03000	0.2
123.00906	0.2
125.02444	2.9
125.06094	0.6
125.09711	0.3
131.03465	0.3
135.08150	0.5
139.04008	0.3
141.01962	0.2
143.03500	1.2
149.04607	0.4
155.14432	0.2
161.02502	0.4
161.04555	1.8
163.11292	4.2
164.11642	0.2
165.12828	2.5
169.01471	0.5
171.10271	0.9
179.03522	0.2
179.04021	0.2
179.05605	2.2
181.12335	0.5
191.10808	1.2
199.05968	0.2
199.13370	0.5
209.11815	100.0
210.12148	4.8
217.07098	0.5
221.06602	0.7
221.11916	0.3
227.12874	15.6
228.13266	1.0
229.05089	0.2
229.14529	0.2
235.08203	2.4
247.13362	0.7
251.12871	0.4
253.09325	0.7
287.07794	0.9
305.08789	0.7
323.09833	0.6
379.12433	2.2
397.13486	20.2
398.13907	1.2
401.23389	0.2
415.14532	5.8
419.24274	0.3
492.76682	0.2
493.15134	0.4
589.25354	0.4
607.26410	1.2
667.94635	0.2
673.23035	0.2
696.09393	0.2
773.35760	0.3
799.37897	0.7
803.27661	0.4
817.38959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.4
59.01378	10.4
59.45110	0.2
61.47573	0.2
65.70628	0.2
69.03447	0.4
71.01381	7.7
72.99314	0.7
73.02951	1.2
75.00879	0.3
80.02679	1.4
80.03057	0.2
80.58010	0.2
81.03458	1.7
83.01385	0.9
83.05025	6.0
84.02182	1.1
84.02605	0.2
85.02943	1.8
86.00097	0.2
87.00864	1.8
89.02446	7.4
91.04001	0.2
93.03461	0.3
95.01397	0.9
95.05035	0.9
96.96013	0.3
97.02954	1.8
97.06564	0.3
99.00855	0.5
101.02440	5.6
101.03108	0.3
109.02972	0.3
109.06612	0.3
111.00873	0.3
111.04527	0.4
111.08095	0.2
113.02451	3.7
114.02829	0.2
119.03506	2.0
123.00865	0.6
125.02440	2.8
125.06087	0.8
131.03500	0.4
133.05124	0.3
135.04565	0.3
135.08165	0.9
137.02440	0.3
139.04042	0.4
143.03496	1.2
147.11877	0.3
149.04597	0.3
161.02429	0.4
161.04559	1.6
163.11281	4.7
164.11638	0.2
165.12836	2.5
171.10303	0.9
179.03500	0.2
179.04243	0.2
179.05615	1.9
181.12334	0.7
183.02812	0.2
191.10768	1.2
199.13417	0.4
209.11816	100.0
210.12154	4.6
217.07150	0.3
221.06618	0.6
227.12874	15.8
228.13210	0.9
235.08232	2.4
247.13428	0.6
251.12903	0.5
253.09280	0.5
263.07510	0.2
265.14578	0.2
287.07581	0.9
300.99924	0.2
301.09302	0.3
305.08789	0.9
323.09872	0.7
379.12421	2.5
397.13483	18.9
398.13904	1.3
415.14566	5.6
416.14954	0.4
493.14969	0.4
568.06848	0.2
589.24847	0.4
607.26288	0.9
673.21552	0.6
799.37817	0.9
835.24933	0.4
835.41418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.01376	0.2
71.52359	0.2
73.35447	0.2
75.00874	0.3
78.91898	2.8
78.95899	0.5
79.95740	0.4
80.96526	0.8
96.25864	0.2
96.96036	0.6
115.79098	0.2
122.18958	0.2
125.02476	0.3
165.01877	0.2
171.10255	0.2
257.38434	0.2
277.21823	0.5
473.37729	0.2
669.55322	0.2
731.37244	0.4
790.43427	0.2
834.45953	0.3
835.42346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.55781	0.2
70.93546	0.4
78.91928	0.2
78.95922	0.2
80.96525	0.6
102.98125	0.2
263.12933	0.2
277.21957	0.3
311.16953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12575	0.3
59.01378	100.0
60.01709	0.8
69.79115	1.3
71.01382	7.7
73.02940	2.8
83.01405	0.9
85.02957	2.5
87.00896	0.4
89.02441	2.8
89.02838	0.3
93.63190	0.3
95.01425	0.4
95.60021	0.2
98.19930	0.4
99.00897	0.6
101.02433	4.1
113.02451	3.5
119.03527	1.0
125.02486	0.4
129.02007	0.3
131.03510	0.5
143.03513	0.6
161.04558	2.4
179.05685	0.8
224.82635	0.2
313.16724	0.5
331.17587	2.6
373.18631	5.4
374.19086	0.6
857.14154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	1.1
67.09014	0.3
69.03468	0.3
69.27929	2.5
71.01378	11.0
72.99284	0.4
73.02942	3.0
73.69042	0.2
74.41856	0.2
75.00891	0.3
83.01392	1.3
85.02949	4.2
87.00880	0.5
89.02444	4.3
93.03432	0.4
95.01392	0.9
97.02982	0.4
98.20733	0.3
99.00881	1.5
101.02441	6.8
102.59476	0.2
113.02444	4.7
119.03465	1.8
120.14904	0.3
125.02451	0.7
137.02644	0.3
143.03520	0.6
147.09937	0.3
149.04494	0.4
159.02995	0.6
161.04535	3.6
169.12352	0.6
179.05640	0.3
181.53088	0.3
194.11298	0.3
203.05721	0.4
220.66225	0.3
223.52138	0.3
285.04175	1.7
301.00095	0.3
313.16498	2.4
331.17581	8.7
332.18143	0.8
373.18628	13.9
374.19043	1.2
531.47717	0.3
835.31195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.4
61.98830	2.1
70.74857	0.3
70.75187	0.3
71.01369	1.3
73.02945	0.3
79.84961	0.2
83.01376	0.3
85.02947	0.4
87.00880	0.4
89.02437	0.8
96.37856	0.2
98.19953	0.2
101.02448	1.1
113.02473	0.4
113.88551	0.2
145.84163	0.2
161.04550	0.7
179.05551	0.3
193.79138	0.3
214.52896	0.2
233.22906	0.3
235.08208	1.5
244.34877	0.2
253.09250	4.6
254.09734	0.3
259.20660	0.3
275.20264	0.4
277.21698	100.0
278.22040	7.6
309.13022	0.2
513.30701	0.6
833.50452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54301	0.2
61.98830	100.0
65.45459	0.2
69.68913	0.2
71.01376	0.3
71.53592	0.4
74.28541	0.2
78.41862	0.2
78.95921	0.7
80.96525	0.5
83.01201	0.2
83.16348	0.2
95.01371	0.3
96.96043	0.3
101.02428	0.3
107.01405	0.3
125.02453	1.4
169.01443	2.0
195.66895	0.2
203.03493	0.2
207.10374	0.3
209.11865	1.0
293.21277	0.3
300.99985	1.0
399.03470	0.3
487.34412	0.4
657.34387	0.4
688.38770	0.3
742.43335	0.4
826.28760	0.3
834.39508	0.4
834.58923	0.3
834.77380	0.3
835.41034	0.6
866.44104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98538	0.1
63.39103	0.1
64.78989	0.1
69.27208	0.1
70.38605	0.2
70.38992	0.2
71.01375	0.2
78.91919	0.1
78.95909	0.2
80.91702	0.2
80.96505	0.2
88.40266	0.1
96.96019	0.2
107.01411	0.2
120.47266	0.1
123.00854	0.2
125.02453	1.1
137.02492	0.1
139.00415	0.1
145.02969	0.1
161.02521	0.1
163.00423	0.1
169.01427	1.1
175.04099	0.1
217.01576	0.1
229.01390	0.2
245.01001	0.1
247.02316	0.2
273.00632	0.1
275.02042	0.4
277.21664	0.1
300.99860	0.6
376.02496	0.2
376.52606	0.1
377.03369	0.1
390.02054	0.2
390.52750	0.2
391.03198	0.2
392.04202	0.1
398.59116	0.1
420.83249	0.1
552.05048	0.1
637.60211	0.1
807.25037	0.1
812.11688	0.1
813.29688	0.2
834.53015	0.1
835.41235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
67.01882	0.5
69.03465	0.6
69.65269	2.1
71.01375	2.4
73.02927	0.4
79.01886	0.4
83.01382	0.4
85.02946	6.9
87.00864	1.9
93.03458	3.6
95.01402	0.8
97.02923	0.6
101.02446	0.5
102.83935	0.3
107.01379	3.8
109.02937	0.9
111.00871	1.0
111.04523	1.0
113.02441	0.7
119.05015	4.1
121.02961	0.9
123.00880	4.6
125.02444	20.3
127.00399	0.5
127.04011	1.5
135.04514	0.5
137.02414	0.6
139.00352	2.7
140.01158	1.4
141.01953	0.4
145.02922	0.8
151.00375	3.5
161.02475	0.5
163.04024	1.6
166.06343	7.0
167.07048	1.2
168.00668	2.6
169.01425	27.2
170.01764	1.0
171.02974	0.5
173.04523	1.3
179.03607	0.6
181.08693	2.5
183.02965	0.6
191.05609	100.0
192.05914	3.9
193.06184	0.4
209.44962	0.4
211.02541	0.5
220.80203	0.3
241.03517	0.8
241.08626	0.4
278.26450	0.4
297.06287	0.4
300.99890	0.7
313.05603	8.3
325.09277	1.1
327.07205	0.5
337.09271	20.9
338.09756	2.2
338.13135	0.5
391.02689	0.4
436.62347	0.4
493.13324	0.6
494.13574	0.5
495.15045	68.2
496.15421	6.7
512.49786	0.5
599.51691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.9
62.96405	0.8
70.51111	0.5
70.73410	1.8
77.95155	0.7
78.95902	83.4
79.95740	0.7
80.96513	4.7
94.98069	1.0
96.96957	18.0
108.84736	0.6
134.84804	0.7
134.98499	1.0
141.01695	1.0
152.99582	19.9
185.34846	0.6
203.56750	0.5
213.09427	0.6
223.00093	7.1
231.34816	0.6
241.01178	35.9
255.23271	61.0
256.23563	4.0
259.02255	2.8
277.21698	37.6
278.22031	3.5
297.03812	2.5
315.04889	1.3
391.22519	8.4
409.23608	0.9
413.20764	1.4
553.27728	7.1
571.28729	1.8
575.25836	1.6
757.25696	0.6
770.83020	0.6
831.50226	100.0
832.50525	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	831.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16903	0.5
59.01364	1.3
60.60702	0.5
61.98830	4.8
63.96225	2.1
64.08893	0.6
69.03465	0.8
70.57822	1.1
70.58189	1.2
71.01009	0.8
71.01378	9.6
73.02944	2.2
74.93264	0.6
78.98592	7.6
79.95737	31.1
80.96516	93.8
81.03452	1.2
82.96106	0.7
83.01391	0.6
85.02956	2.9
87.00845	3.3
94.98087	20.6
96.96007	1.8
97.02942	1.7
99.00818	0.7
101.02448	2.7
101.20692	0.6
106.98093	4.0
122.97560	5.4
125.02428	3.6
127.04020	1.1
134.97591	7.4
136.99135	2.5
148.99136	8.1
152.98627	6.6
156.06755	0.6
161.04541	0.9
164.98618	15.9
167.00117	0.9
206.99675	3.9
225.00731	23.4
226.00999	0.9
241.00386	0.8
250.41765	0.6
255.23293	2.3
269.49677	0.7
283.04901	2.0
293.21130	0.6
341.05460	1.3
355.06940	1.4
537.27386	2.7
575.25421	2.4
609.29688	0.9
739.21954	0.8
831.49304	100.0
832.49646	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	825.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29585	7.7
61.98827	53.7
62.60582	9.0
69.99969	34.9
71.01411	12.2
72.96146	7.7
75.80312	7.2
78.95913	42.3
79.95743	24.4
80.96516	100.0
84.16187	7.7
94.98100	17.6
103.29487	8.7
103.37067	8.6
115.91976	9.5
116.92886	11.9
148.99208	11.3
164.98643	8.8
179.89296	10.3
196.89523	11.4
215.94591	8.3
225.00728	21.9
255.23138	13.6
266.15320	9.0
277.21719	22.1
293.21237	9.6
297.37201	9.3
337.66882	8.5
417.31216	9.6
525.92627	10.2
709.38568	31.4
825.44727	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.7
59.01379	16.2
60.99310	0.7
61.98833	0.8
68.99811	0.3
69.03444	1.4
70.38847	0.7
71.01381	17.0
72.99308	1.6
73.02956	3.0
75.00872	0.7
78.95905	0.5
81.03449	1.0
83.01394	2.0
85.02950	4.3
87.00871	5.4
87.01384	0.4
88.98808	4.7
89.02442	14.9
91.04034	0.4
95.01391	1.3
97.02949	3.1
99.00877	1.2
99.04507	0.4
101.02441	13.1
102.02784	0.3
103.00389	0.2
103.04042	0.3
109.02947	0.5
111.00882	0.4
111.04498	0.5
113.02448	8.1
116.92829	0.4
119.03497	3.4
121.02943	0.3
123.04556	0.3
123.08206	0.3
124.01645	0.5
125.02442	8.3
125.09702	1.0
127.04002	0.4
127.11278	2.2
131.03520	0.7
132.93633	0.3
133.05054	0.3
136.70578	0.3
138.44749	0.2
139.04012	0.6
141.01915	0.5
143.03514	2.6
153.09187	0.5
161.04556	3.4
165.05544	0.2
167.03462	0.7
169.01459	0.5
169.05072	0.4
171.10265	100.0
172.10597	3.8
179.03445	0.2
179.04019	0.3
179.05594	3.5
181.05017	0.2
185.11885	0.3
186.89452	0.2
199.06122	0.4
209.11801	0.8
210.12189	0.5
213.11348	0.3
217.07178	1.1
221.06621	1.3
235.08202	5.8
245.06575	0.4
253.09261	1.4
259.08188	0.5
259.20560	0.4
263.07742	0.3
277.21704	65.0
278.22046	4.9
287.07706	2.7
291.23404	0.6
300.99500	0.2
301.09235	0.3
305.08746	2.0
319.22748	0.3
323.09717	0.6
361.11423	0.3
379.12451	10.6
380.12585	0.7
396.34625	0.3
397.13486	38.0
398.13818	2.2
415.14578	7.6
416.14719	0.6
507.83591	0.3
551.23346	1.1
569.24658	1.0
657.35181	0.3
675.35992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	0.9
59.01379	15.0
60.99306	0.5
61.98841	1.1
63.21824	0.2
69.03453	1.5
71.01379	15.7
72.01696	0.4
72.99313	1.5
73.02940	3.0
75.00892	0.5
78.95917	0.6
81.03455	0.6
83.01389	2.2
85.02943	4.4
87.00876	5.1
87.04510	0.4
88.98811	3.9
89.02443	12.2
95.01402	1.2
97.02951	2.6
99.00877	1.0
101.02441	11.7
109.02965	0.6
110.46341	0.2
111.00860	0.3
111.04531	0.5
113.02452	7.3
115.03976	0.3
119.03493	3.6
121.02998	0.3
123.00850	0.3
125.02453	6.6
125.09710	1.0
126.02789	0.3
127.11300	1.9
129.01904	0.3
131.03467	0.5
133.05084	0.5
137.02426	0.4
139.04027	0.7
143.03484	2.6
151.03934	0.3
153.09192	0.7
161.04538	3.5
167.03535	0.5
169.01453	0.3
171.10265	100.0
172.10588	3.5
179.05594	3.4
199.06091	0.6
209.11859	0.8
213.11288	0.9
217.07158	0.9
221.06628	1.3
223.61424	0.3
229.01031	0.3
233.22815	0.3
235.08215	5.7
245.06578	0.3
253.09224	1.1
259.08276	0.9
263.07721	0.3
275.20233	0.4
277.21710	54.2
278.22067	4.1
287.07733	2.1
300.99817	0.7
305.08707	1.9
318.10837	0.3
323.09894	0.5
361.11420	0.4
379.12469	10.3
380.12766	0.4
397.13489	33.4
398.13837	2.3
415.14511	7.8
551.23590	1.1
569.24542	1.1
584.09534	0.3
657.34845	0.4
675.35822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.4
59.01378	48.2
61.98830	11.9
69.16880	2.8
71.01390	1.7
72.99303	0.3
73.02955	0.5
77.36353	0.3
85.02953	1.4
87.00871	1.7
88.00412	0.6
88.98803	0.4
89.02457	0.9
95.01402	0.5
96.96001	0.4
98.20650	0.8
99.00883	0.3
99.92617	0.4
100.92638	0.3
101.02445	2.5
109.02970	0.3
113.02451	0.7
116.92858	3.0
117.92877	1.2
118.92663	0.7
119.03485	0.5
121.02921	0.3
123.00837	0.3
125.02453	1.2
131.03537	1.9
137.02391	0.4
149.02435	0.3
150.03209	2.1
153.01918	0.3
161.02406	0.4
161.04524	0.5
165.05527	2.2
169.01440	1.0
181.05103	0.7
195.06570	0.6
209.11726	0.4
221.06606	0.3
251.09206	0.5
273.17224	0.3
300.99860	0.5
423.50488	0.3
453.33829	0.5
543.36932	0.4
585.37860	5.6
586.38275	1.1
603.38983	100.0
604.39355	18.4
629.22400	1.8
687.40302	0.4
695.66162	0.3
708.41217	0.3
762.69055	0.3
765.44910	0.6
825.46912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
61.98813	3.4
63.96224	2.0
69.03453	1.2
71.01376	9.1
73.02945	1.7
78.95893	2.3
78.98579	6.4
79.95734	19.4
80.96513	100.0
84.51830	0.8
85.02946	2.9
87.00880	3.7
94.98083	22.4
96.96023	2.0
97.02946	2.1
99.00901	1.2
101.02413	3.1
106.98096	3.7
122.97578	5.3
125.02435	3.2
127.03953	1.0
134.97568	6.3
136.99146	2.1
148.99139	8.3
152.98653	7.5
164.98622	15.3
171.10226	1.3
196.89516	1.5
206.99574	4.1
209.11870	1.3
225.00735	25.3
254.05655	0.9
255.23189	1.2
283.26566	1.8
479.16840	0.8
481.66385	0.8
541.19452	2.2
709.38196	17.4
710.38654	2.7
765.41272	3.5
781.40112	1.8
807.42993	1.8
825.46283	83.5
826.46570	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	825.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.6
61.98828	6.5
71.01375	1.7
71.53761	1.0
75.00867	1.9
85.02932	1.2
92.34396	0.9
93.03449	4.8
95.01363	2.1
97.02946	1.0
105.58472	1.1
107.05061	1.2
108.02149	1.1
109.02925	3.0
111.00865	2.1
116.92834	2.6
119.04993	1.1
121.02976	6.9
122.03733	16.3
123.00919	6.5
123.04493	2.4
124.01659	1.2
125.02435	3.3
133.02959	2.8
134.03712	2.0
135.04544	2.0
136.01633	4.4
137.02464	6.3
138.03198	5.3
139.00397	4.8
139.04030	5.3
145.02945	2.0
146.03725	3.1
147.04543	2.8
149.02431	24.5
149.06061	1.8
150.03223	100.0
151.00357	15.5
151.03987	7.6
152.01114	2.0
153.01918	4.6
153.05602	5.2
161.02422	6.2
161.06105	1.6
162.03128	2.1
163.00363	11.5
163.03995	3.2
164.01128	2.1
164.04782	7.2
165.01898	10.9
165.05554	85.0
166.02708	35.9
166.05872	4.0
167.03188	2.2
169.01428	2.8
174.03145	1.3
175.03995	2.7
175.72076	1.0
176.01050	1.1
177.01863	2.3
177.05530	2.2
178.02696	22.0
179.03436	6.3
179.07140	3.2
180.00621	1.1
180.04297	11.6
181.01483	11.5
181.05057	56.0
183.06598	5.8
191.03514	5.1
192.04262	2.2
193.01399	24.7
193.05045	21.4
194.05731	1.8
195.06613	41.6
196.03755	13.7
196.06836	1.6
203.03510	5.2
204.04254	1.2
205.04950	2.5
207.03011	7.7
207.06523	2.0
208.03761	30.9
209.04288	2.4
209.08170	3.2
211.06102	50.4
212.06485	3.0
218.05812	4.1
219.73624	0.9
221.04495	1.1
222.05363	4.1
223.06100	67.8
224.06432	3.8
225.07635	2.3
226.04796	2.7
233.08180	2.5
236.06859	4.7
237.07533	1.5
239.05632	6.8
241.07166	56.5
242.07523	2.1
249.07788	1.8
251.09244	15.9
253.98387	1.1
269.04507	1.5
284.06903	4.2
285.07745	2.2
289.07245	1.0
292.11026	1.0
297.07840	1.6
299.09271	6.4
300.09894	2.2
301.00052	1.3
313.10629	1.1
314.11459	1.8
321.07043	1.1
328.09412	2.7
329.10217	1.7
343.08167	1.2
343.11795	4.0
355.07819	1.1
358.10727	4.6
359.11063	2.1
373.08432	1.6
373.12897	23.6
374.13446	1.9
385.12909	1.6
399.14484	2.1
403.14017	20.4
418.12894	1.2
421.14984	4.5
432.14185	1.7
433.14853	10.1
543.35748	1.0
565.20343	1.2
581.20154	4.0
582.20477	1.4
599.21503	1.1
629.22345	61.8
630.22491	10.6
825.28778	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	824.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	1.7
58.72666	0.3
59.01372	0.3
61.98833	2.2
62.46787	0.3
69.27201	1.3
69.27625	1.1
71.05034	0.4
81.03456	0.7
95.05032	0.4
96.95979	0.3
97.06575	0.3
109.06593	0.5
116.92849	0.3
125.02443	0.3
128.10820	6.6
130.08739	100.0
131.09070	2.7
152.33369	0.3
165.12852	0.8
172.09830	0.3
193.70628	0.3
229.80489	0.3
300.99930	0.6
322.20212	76.9
323.20566	6.7
439.32114	0.8
483.30884	0.5
501.32166	3.2
502.32596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.7
61.98835	18.5
63.61477	1.0
71.01380	2.3
71.53841	1.7
85.02996	1.7
87.19601	1.2
89.02438	1.9
93.03436	6.1
95.01398	2.1
101.02444	1.0
102.68416	1.2
108.02180	1.6
111.00948	1.2
121.02949	7.1
122.03748	14.7
123.00893	6.3
124.01685	2.6
125.02462	6.3
133.02937	1.9
133.97665	0.9
134.03746	1.9
135.02977	1.3
135.04535	3.5
136.01666	4.4
137.02463	5.2
138.03229	1.6
139.00354	5.4
139.04028	1.4
145.02936	1.7
147.04520	4.6
149.02451	24.2
150.03232	100.0
151.00372	14.0
151.03929	5.5
153.01883	2.4
153.05562	2.2
159.04497	2.3
161.02469	2.7
161.06129	1.5
162.03217	3.0
163.04019	3.7
164.04791	3.0
165.01868	3.5
165.05571	81.9
166.02715	23.7
166.05914	1.9
167.03322	1.7
169.01413	4.2
175.04005	4.5
176.01285	1.1
176.04892	1.3
177.01904	1.8
177.05569	1.6
178.02753	1.0
179.03650	1.4
180.04285	7.1
181.05083	29.4
187.03967	1.0
189.01933	1.8
191.03528	8.9
191.05321	1.5
192.04265	1.8
193.05006	2.1
195.06624	32.4
196.07076	1.7
203.03500	8.6
204.04224	1.6
205.05058	3.0
206.05653	1.3
207.06621	2.8
213.09157	1.0
218.05844	9.6
219.06343	1.3
221.04555	4.3
233.08156	6.9
234.08614	1.2
235.06136	2.4
236.06891	11.6
237.93163	1.3
251.09267	25.8
255.06551	2.1
289.07028	1.8
300.99832	2.4
357.09732	1.1
358.10541	3.6
359.10925	1.4
373.13037	7.9
399.14285	2.9
403.14471	5.5
417.11923	1.6
418.12918	2.0
431.13712	2.6
432.14142	3.2
433.14957	10.0
434.15396	1.7
505.15359	2.6
508.94196	1.3
523.16241	1.7
581.20276	6.8
611.21741	1.3
629.22412	97.1
630.22662	15.6
777.27441	1.4
825.28204	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	823.521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.7
59.01375	8.3
61.98830	3.7
69.03455	1.3
71.01381	8.1
72.99292	0.8
73.02942	2.7
77.51305	0.3
78.95893	0.4
80.96522	0.8
82.96082	0.4
83.00965	0.3
83.01366	1.6
83.05028	0.8
84.02184	0.5
85.02946	7.6
87.00879	2.0
89.02443	5.3
89.02947	0.5
91.04005	0.5
95.01354	0.7
95.05026	0.9
96.96012	1.2
97.02950	2.0
97.06580	2.5
99.00893	0.7
101.02447	7.4
102.99889	0.3
110.03758	0.4
111.04515	0.5
113.02458	3.5
115.04015	0.4
118.00339	0.3
119.03474	1.9
125.02435	1.0
125.06087	0.4
125.09726	1.5
127.11266	0.7
133.05046	0.9
137.09712	1.5
143.03500	1.1
145.05066	1.4
155.10774	1.0
155.14442	0.4
157.05000	0.5
160.92978	0.3
161.04568	3.3
163.11285	0.3
165.12862	1.0
167.14444	0.5
171.10271	14.8
172.10593	0.6
175.11327	0.3
177.12802	0.4
179.05524	1.0
181.12415	0.6
183.13889	4.9
185.11829	1.3
193.12297	0.6
195.13966	0.5
197.11842	0.7
201.11253	0.6
203.10757	0.8
209.11769	1.5
211.13387	12.8
212.13628	0.4
221.11839	2.0
225.26801	0.3
229.14439	8.1
230.14687	0.4
233.22925	0.3
235.08217	14.5
236.08600	0.7
239.12837	1.2
247.20685	0.5
251.16537	0.8
253.09273	28.0
254.09558	1.1
259.20746	0.4
277.21710	100.0
278.22107	7.6
291.16638	0.5
291.19678	6.2
295.22675	0.8
309.20691	14.8
310.21112	1.4
311.22202	0.4
327.21750	77.9
328.22067	5.6
351.21652	0.4
513.30646	0.7
545.29858	2.1
546.30426	0.4
563.30823	3.1
564.31439	0.4
587.42957	1.9
823.43951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.5
59.01380	100.0
71.01012	1.3
71.01385	22.8
71.52414	1.4
72.99318	1.2
73.02949	8.6
75.00865	1.3
83.01391	2.0
85.02959	6.0
87.00868	1.2
87.04511	1.1
89.02445	15.4
89.63795	0.9
93.03496	1.6
95.01405	2.0
99.00891	1.1
101.02445	17.1
113.02437	10.2
115.09982	0.9
119.03522	5.6
121.02930	1.4
125.02470	2.1
143.03476	1.6
149.04584	1.1
161.04541	3.8
163.11278	2.6
169.01344	1.9
187.13399	5.6
191.05626	2.4
207.10304	5.5
221.13832	0.9
255.02953	1.1
259.06100	1.1
283.02658	1.6
300.99969	1.2
331.17642	21.5
332.17975	1.4
349.18808	10.9
375.08578	0.9
387.16599	82.3
388.16968	6.2
391.19727	37.3
392.20026	3.4
416.47946	1.0
476.29654	0.9
574.96423	0.9
594.12543	1.1
651.15857	1.3
718.18469	1.0
823.25079	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	823.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	4.8
59.27846	4.1
61.98829	33.8
71.01381	40.2
78.95904	7.0
80.91682	10.4
82.95418	57.9
87.87140	4.4
88.48225	4.4
95.01388	6.9
96.95967	5.7
101.02446	8.9
107.01368	5.6
109.06608	6.0
123.00819	7.4
125.02438	29.0
131.80460	4.9
161.04619	5.1
169.01428	33.9
170.01810	5.7
171.10249	10.4
191.03667	4.6
199.09755	11.3
207.10208	22.1
209.11810	100.0
210.12167	9.3
225.11346	15.3
227.12918	21.6
235.08264	6.1
253.09270	16.2
273.00436	5.1
275.01941	15.2
300.99930	21.4
302.00168	7.1
391.02820	7.4
461.20221	9.7
519.68481	5.3
555.53589	5.1
627.30109	10.3
653.29480	6.8
697.83856	5.3
823.39496	14.0
850.44928	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	823.425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95788	6.1
61.98832	100.0
80.46283	6.3
80.96523	11.4
81.90372	6.1
116.92874	9.8
125.02399	7.9
126.44588	5.6
137.10703	6.3
197.11916	8.7
209.11819	62.5
227.12862	19.3
236.98615	6.3
286.73615	6.3
309.20590	36.5
321.77380	7.2
357.78250	6.9
386.98175	6.8
445.20834	10.0
445.50784	7.5
451.22754	6.5
487.34116	16.7
823.41864	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98519	0.2
71.01407	0.2
73.02953	0.2
78.95955	0.2
79.95753	0.3
80.96516	1.2
94.98097	0.2
98.20668	0.4
219.90147	0.2
225.00781	0.3
231.09900	0.2
242.92050	0.2
253.09256	0.3
277.21823	0.7
312.58005	0.2
325.20474	0.2
335.60071	0.2
363.87561	0.2
523.93567	0.2
821.43964	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.1
60.06746	1.0
60.14388	1.0
60.99292	1.3
61.98829	20.8
65.27064	1.0
71.01381	2.7
73.02921	1.8
78.95915	1.1
81.03456	1.3
85.02962	1.7
88.98784	3.2
89.02427	2.6
93.03468	3.8
96.96010	3.2
98.19907	4.5
99.92583	3.0
102.32420	1.4
109.02936	5.9
116.92866	21.7
121.02946	7.4
122.03742	15.3
123.00854	2.7
123.04523	2.6
125.02448	5.1
132.02174	1.2
133.02885	2.4
134.03705	1.4
135.02971	2.1
135.04556	2.1
136.01653	8.7
137.02429	18.4
138.03265	1.9
139.04015	2.5
145.02950	2.5
146.03734	2.2
148.01556	1.2
149.02438	30.4
149.06073	2.5
150.03224	100.0
151.00366	10.0
151.04027	12.4
152.01103	4.0
152.04723	4.0
153.05598	1.5
161.02460	3.1
161.06084	1.4
163.04073	2.7
164.04767	5.9
165.01941	23.3
165.05563	86.6
166.02713	32.8
166.05867	3.5
166.65315	1.3
167.03412	4.2
169.01373	2.6
173.02367	1.2
175.04022	2.1
176.04895	1.3
177.01855	2.5
177.05528	3.3
179.03452	5.4
179.07076	6.3
180.04283	18.6
181.05061	42.2
182.05371	1.2
187.03992	3.7
189.05528	2.5
190.02679	1.2
190.06375	1.8
191.03497	3.2
192.04317	1.6
193.04976	2.7
195.06615	67.3
196.06931	2.5
203.07085	1.3
205.05008	9.1
207.06563	3.7
209.08115	1.7
209.11732	1.7
210.05283	1.8
219.06494	2.0
220.07368	3.5
221.08195	3.8
225.07652	11.8
229.56683	1.4
251.46341	1.2
267.25342	1.1
300.99777	1.9
325.07224	1.4
329.10257	2.3
357.13458	4.3
369.13159	1.3
372.12140	2.6
373.12848	3.5
387.10800	2.8
387.14752	19.0
402.13107	3.8
403.13885	3.3
416.14618	2.6
417.15457	32.5
418.15857	4.8
535.16357	2.0
565.12122	2.6
565.20728	44.1
566.21051	5.4
595.21808	4.6
597.23511	3.7
613.22894	6.0
626.23901	2.2
627.24658	9.5
704.00977	1.2
713.26270	1.3
775.29517	11.6
776.30249	2.1
805.30603	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	823.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	70.9
62.96391	2.0
70.00249	4.9
70.00663	3.3
78.95904	100.0
79.95748	1.9
80.96514	9.0
86.94147	1.7
94.98081	2.1
96.95963	2.1
96.96937	4.6
98.19937	1.4
98.26139	1.6
99.92579	19.3
103.47336	1.6
104.66054	1.7
110.89865	1.6
115.92074	25.6
116.92859	39.3
117.22307	1.8
117.92841	1.7
150.97981	2.3
152.98410	1.6
152.99585	27.0
163.89659	2.1
164.90440	1.6
164.98567	2.3
172.95407	4.6
178.88393	10.4
179.89238	24.1
180.90063	10.4
195.00664	2.1
196.89496	26.1
197.89468	1.6
203.81056	1.5
209.11821	10.7
219.92284	1.9
225.00688	2.8
225.44099	1.5
235.91774	4.5
236.92535	6.0
252.92017	2.3
276.41092	1.7
356.01099	2.2
373.01538	1.7
389.00790	2.6
414.04721	1.6
503.07477	1.7
732.28973	3.5
755.28241	5.4
765.42169	1.8
775.30304	2.2
791.30835	3.0
805.31207	2.1
823.33142	57.8
823.44342	3.6
824.33264	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	820.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.20684	0.2
61.98828	100.0
69.43769	1.3
71.01029	0.2
71.01382	1.3
73.02919	0.2
78.91877	0.6
78.95893	1.2
78.98582	0.5
79.95735	1.2
80.91676	0.5
80.96515	7.3
82.95422	0.2
82.96081	0.2
85.02970	0.3
87.00889	0.3
88.98804	0.2
89.02446	0.2
94.98082	2.1
95.01366	0.2
96.96023	0.8
96.96967	0.2
97.02970	0.3
101.02446	0.6
102.34919	0.2
106.98068	0.4
111.08154	0.5
118.52894	0.2
122.97562	0.4
125.02435	0.5
134.97585	0.4
136.99141	0.2
148.99117	0.5
152.98557	0.3
152.99585	0.5
164.98604	1.3
168.04260	0.2
169.01491	0.2
169.12419	0.2
171.10292	0.2
195.13872	0.5
197.11813	2.3
203.49005	0.2
206.99664	0.3
208.31735	0.2
209.11914	0.9
210.12114	0.2
211.13312	0.4
223.13336	0.2
225.00749	1.7
235.08223	0.3
241.14404	0.6
253.09233	1.8
256.13251	0.2
260.17230	0.2
275.20081	0.6
277.21799	0.4
279.20364	0.3
279.23264	3.9
280.23593	0.3
291.19638	1.2
293.21207	7.4
300.99887	0.5
309.20709	4.0
486.51077	0.2
728.45166	0.9
729.45013	0.2
746.45990	0.3
803.38904	0.2
820.42267	8.2
821.41895	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	818.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97094	0.1
61.98829	100.0
62.98529	0.1
69.05785	0.1
78.95882	0.1
80.96529	0.2
92.64595	0.1
102.30509	0.1
109.29513	0.1
121.66819	0.1
137.06732	0.1
243.29224	0.1
728.26965	0.1
818.50287	0.1
819.38318	0.1
820.80713	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	818.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36221	0.1
61.98829	100.0
62.98544	0.1
66.82144	0.1
69.37175	0.9
79.95705	0.2
80.96512	0.7
97.41702	0.1
103.38580	0.1
162.97589	0.1
164.98621	0.1
225.00694	0.2
244.18991	0.1
277.21524	0.1
311.15106	0.1
415.17459	0.1
520.98730	0.1
819.42657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.4
59.01371	5.1
70.99909	1.5
71.01374	2.9
74.80351	0.6
81.03444	2.3
83.01379	1.4
85.02954	2.3
87.00891	0.8
89.02444	2.9
93.03449	1.9
95.05032	0.8
99.04520	2.2
101.02438	1.8
109.02966	4.1
113.02445	1.2
119.03530	1.2
121.02962	2.7
123.04528	0.8
125.02446	23.2
133.02936	0.9
137.02451	12.6
138.03261	3.8
149.02437	20.7
155.05096	1.1
161.02492	4.8
163.00307	1.1
164.01144	5.8
165.01927	8.3
166.02716	20.7
167.03482	11.8
171.04497	1.8
174.03175	1.7
175.03996	15.2
176.01161	5.6
176.04318	0.8
177.01855	1.8
179.03424	1.4
185.06052	1.4
187.04050	0.8
191.03741	1.1
191.05627	20.7
191.07390	1.2
192.00658	7.5
192.05949	1.0
193.01436	4.0
197.06050	1.6
198.03215	3.3
199.04018	19.7
201.01903	3.6
211.03946	1.4
213.05591	3.7
215.03506	1.3
217.05070	13.5
219.02977	1.0
223.03938	1.5
226.02722	1.6
239.08551	0.7
240.04132	0.9
241.05052	33.7
242.02213	1.6
242.05411	2.9
243.02980	7.4
257.04648	1.6
267.03125	0.9
285.04041	100.0
286.04309	7.7
303.05075	2.9
329.08786	24.8
330.09000	1.6
339.07135	8.7
353.08615	1.9
355.06644	7.7
465.10345	51.1
466.10544	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	816.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.6
61.15155	0.2
61.98830	100.0
63.58900	0.2
65.66591	0.2
71.01401	0.7
71.53449	0.4
78.95905	0.5
78.98630	0.3
79.95743	0.8
80.96517	5.2
83.78165	0.2
85.02914	0.2
94.98105	1.0
123.00928	0.3
125.02476	1.3
134.97594	0.3
141.01677	1.3
145.33893	0.2
148.99147	0.3
152.98610	0.3
154.40730	0.2
164.98662	0.7
169.01398	1.1
209.11914	0.4
225.00847	0.6
257.01382	0.2
277.21939	0.4
293.21164	0.3
300.99969	0.7
397.13416	0.4
815.50732	0.6
816.50305	3.9
816.64984	0.3
817.50983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98529	0.3
69.34203	1.1
88.98833	0.1
98.20728	0.2
123.57898	0.1
130.80865	0.1
139.40292	0.1
142.38481	0.2
145.48175	0.1
207.37605	0.1
210.98071	0.1
243.07904	0.1
650.76685	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.3
63.96237	2.3
69.03454	0.9
69.23713	1.3
69.24113	4.9
71.01379	9.6
72.99284	0.7
73.02943	2.2
78.90705	0.5
78.98587	8.2
79.95734	17.9
80.17763	0.5
80.96515	100.0
81.03439	0.8
82.51406	0.5
83.01359	0.7
85.02952	3.7
87.00862	3.7
91.13971	0.5
94.98085	23.4
95.01412	0.6
96.96014	1.5
97.02932	1.9
99.00874	0.6
99.04514	0.7
101.02419	2.6
106.98074	4.8
115.86808	0.5
122.97561	4.1
125.02450	4.2
127.03986	1.0
134.97574	6.9
136.99094	2.9
148.99133	7.9
152.51617	0.6
152.98625	7.5
164.98616	16.0
167.00208	0.8
206.99680	3.2
225.00737	20.0
255.23251	1.5
277.21643	1.0
355.47897	0.6
439.59689	0.6
537.26831	1.6
559.25690	2.3
601.39941	0.7
617.55011	0.7
725.48694	0.6
815.49774	97.8
816.50092	23.2
818.00403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01685	0.1
58.71753	0.1
58.80559	0.1
59.01356	0.1
61.98829	100.0
62.98528	0.1
71.01389	0.5
75.92079	0.1
78.98600	0.3
79.95741	0.5
80.96517	3.1
85.03009	0.1
87.00883	0.1
94.98096	0.6
96.96050	0.2
101.02451	0.1
101.14607	0.1
106.98080	0.2
108.25005	0.1
109.16816	0.1
116.92880	0.1
122.97520	0.1
125.02462	0.4
134.97617	0.2
135.32962	0.1
148.99155	0.2
152.98662	0.3
164.98599	0.5
169.01453	0.2
171.10274	0.3
209.11899	0.2
225.00781	0.4
240.60751	0.1
277.21780	0.2
293.21246	0.1
300.99979	0.4
311.22241	0.8
312.22748	0.3
371.30392	0.1
526.84656	0.1
815.49695	0.3
816.50189	2.3
817.50714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03023	1.1
59.01374	5.2
61.98834	2.1
67.10723	0.9
69.54677	6.9
71.01376	3.2
77.34198	1.1
78.95904	6.9
80.02644	1.5
80.96516	4.7
82.96629	1.2
83.05019	4.5
89.02456	2.2
96.96980	1.4
98.71349	1.1
101.02431	3.3
107.56990	0.9
113.02428	1.8
113.16033	1.2
126.80352	1.0
152.99634	1.8
159.29208	1.1
161.04672	1.2
163.11313	3.2
165.12921	1.2
171.10274	2.3
209.11826	100.0
210.12151	7.3
227.12903	13.0
235.08199	4.0
241.01147	4.3
242.58720	1.0
253.09293	7.0
255.23331	4.2
277.21725	84.6
278.22089	9.8
445.20520	1.3
563.83301	1.2
725.38989	1.6
779.40741	1.7
797.40167	5.4
815.49390	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76995	0.7
95.01354	1.1
117.03394	1.3
121.02891	0.8
123.00874	2.4
125.02425	1.3
129.03522	1.3
133.02960	1.0
145.02939	4.7
147.04501	2.7
157.02998	1.4
159.04514	2.6
161.02412	1.5
163.04019	1.9
173.02385	5.1
174.03038	0.8
175.04007	3.6
177.01949	1.5
185.02438	6.1
189.01839	1.6
190.02573	1.1
191.03481	4.4
191.05566	2.1
201.01920	8.4
203.03477	9.0
205.01302	1.3
213.01897	2.7
217.01407	2.0
219.03041	2.4
226.40474	0.9
226.99730	0.9
228.00697	1.2
229.01381	18.5
229.14978	0.9
230.01970	2.0
231.02948	5.9
240.00438	0.8
245.00871	5.7
247.02452	2.5
249.04053	5.6
257.00916	15.6
258.01663	5.4
273.00372	1.5
274.01230	1.6
275.01953	53.2
276.02283	2.4
283.99701	5.0
291.01642	1.3
298.98450	0.8
299.99066	4.2
300.99878	100.0
302.00168	6.3
481.06186	1.4
633.06842	1.2
671.07916	0.9
783.06848	17.1
784.07184	2.6
815.09595	27.6
816.09894	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	815.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
61.98832	84.5
71.01385	8.3
71.51905	2.1
72.99311	8.0
73.02962	2.0
78.95903	100.0
78.98576	3.6
79.46759	1.9
79.95734	7.0
80.96516	34.2
82.08946	2.0
85.02945	2.5
87.00870	2.7
88.98807	6.0
94.98092	7.0
95.05003	2.4
96.96960	26.1
109.06616	5.2
125.02432	2.6
127.11279	2.1
137.27502	1.9
140.44661	2.2
148.99211	4.0
152.99600	24.7
153.09248	2.3
155.10706	2.7
156.39432	2.0
163.11275	5.6
164.98616	5.3
171.10266	63.7
199.09737	7.1
201.11266	5.0
206.99741	2.1
207.10300	7.7
209.11819	7.1
220.47624	1.9
223.00130	5.6
225.00708	6.7
225.11159	9.6
241.01167	54.1
243.12236	2.4
255.23283	55.0
256.23657	8.2
259.02243	4.4
261.13382	4.2
277.21704	15.5
309.28632	2.0
315.04767	2.0
389.95227	2.0
391.22379	5.7
553.27649	3.3
725.38812	57.9
726.39429	11.7
779.39532	9.0
780.39313	2.7
797.40790	53.9
798.41913	11.3
815.49463	28.3
816.50604	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	813.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.2
60.99305	17.3
61.98824	0.6
62.42561	0.2
63.25686	0.2
70.94318	0.3
70.94669	0.4
71.01353	0.2
78.95895	0.7
83.05074	0.2
83.57140	0.2
84.97306	0.2
87.00885	1.1
88.00397	2.3
88.98802	100.0
89.02439	11.8
89.99136	0.8
97.20046	0.2
99.83678	0.2
152.99542	0.3
159.99097	0.2
161.09596	0.2
209.11815	1.9
221.09279	0.2
240.48807	0.2
255.23343	0.2
277.21683	1.4
370.54819	0.2
429.08069	0.2
766.60742	0.2
795.39740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99307	18.6
61.98835	0.6
70.66404	0.5
71.01384	0.3
73.02942	0.2
76.65781	0.2
78.95909	0.8
87.00879	0.9
88.00397	2.1
88.98806	100.0
89.02443	12.7
89.98672	0.2
89.99136	1.0
96.96973	0.2
118.78523	0.2
152.99550	0.3
183.06905	0.2
187.18027	0.2
209.11838	1.6
227.13109	0.2
268.32703	0.2
277.21664	2.1
278.22107	0.4
300.99881	0.2
338.96167	0.2
580.88275	0.2
587.52032	0.2
659.42029	0.2
795.39398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.8
67.84199	0.6
71.01376	1.9
71.52168	0.9
73.02937	0.9
85.02950	0.9
89.02433	1.2
95.01392	1.6
101.02437	1.9
101.81376	0.6
107.01388	0.8
109.02921	0.9
111.00890	1.1
117.03484	1.1
119.03474	0.7
119.05112	0.7
121.02931	0.8
123.00903	4.1
125.02433	5.2
131.07144	1.6
133.02968	1.0
135.03012	0.9
135.04536	1.0
137.02449	0.9
139.00232	0.6
145.02985	2.4
147.04617	0.7
149.02397	1.4
150.03235	1.1
151.00346	0.9
153.01913	0.9
157.02899	1.0
161.02428	2.3
161.04462	0.8
162.03207	0.9
163.00352	1.1
163.03979	1.3
165.01855	0.9
165.05591	1.5
166.99902	1.4
169.01437	5.1
173.02414	2.7
173.08162	1.1
173.38513	0.7
175.03946	2.5
177.01971	0.9
179.05721	0.9
185.02446	3.0
187.04019	0.9
189.01956	1.9
190.02650	0.9
191.03491	2.1
191.05612	0.8
193.05222	0.9
195.06502	0.7
201.01971	4.4
203.03511	3.8
213.02025	1.4
217.01433	1.9
226.99757	0.9
229.01392	9.4
230.01892	1.0
231.02934	5.8
245.00830	3.0
247.02483	3.2
249.04036	5.0
254.99451	0.7
257.00943	5.4
258.01517	1.4
259.02307	0.8
270.98703	0.9
271.99512	0.8
273.00394	2.9
274.01157	1.2
275.01962	14.0
283.99573	2.5
285.00360	1.8
298.98401	2.9
299.99078	8.5
300.99887	100.0
302.00262	7.7
388.14822	0.7
389.61447	0.8
407.00992	0.8
445.04019	1.5
463.05078	1.4
542.40533	0.8
567.20587	1.8
603.06555	1.3
613.04730	10.5
614.05255	1.8
631.05200	3.7
632.06622	4.7
633.07300	52.0
634.07983	7.2
831.52405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.98825	5.0
62.98634	0.8
67.01904	0.8
70.38724	1.4
71.01361	2.3
72.42194	0.8
83.01323	0.8
85.02943	1.4
88.98821	1.2
93.03475	3.8
95.01434	0.8
101.02441	1.3
105.03448	0.9
108.02236	1.0
109.02933	1.1
113.02509	1.0
118.09986	0.7
121.02940	4.5
122.03738	13.9
123.00925	1.0
125.02422	2.4
133.02951	1.6
134.03748	1.3
135.04575	1.8
136.01646	2.0
137.02440	4.6
139.69478	0.8
145.03043	1.0
149.02440	20.6
150.03223	81.6
151.03978	4.3
160.01653	3.0
161.02394	1.3
163.03967	0.9
164.04774	3.9
165.00542	1.8
165.01927	30.6
165.05566	74.2
166.02400	1.4
166.05991	3.7
169.01370	2.3
175.03989	0.8
179.03511	7.2
179.07175	1.4
180.04276	24.0
181.04851	1.2
189.05663	1.0
193.05328	0.8
194.05843	1.9
195.06613	100.0
195.92706	0.8
196.06978	5.7
197.06047	0.9
205.05022	0.9
208.07361	1.2
210.05309	4.2
211.03996	1.0
222.57576	0.9
225.07683	26.0
226.08102	1.9
239.07028	1.0
242.09500	2.8
244.64185	0.8
246.08852	0.9
257.11798	2.3
258.09082	0.8
269.08020	1.6
270.09000	8.1
281.04254	1.2
282.08984	1.7
283.06223	1.3
283.09512	1.6
284.06818	2.2
285.03958	2.3
285.08020	1.2
285.11279	8.2
286.08383	2.6
296.06830	1.5
297.07587	1.7
298.08295	4.3
299.09204	6.6
300.09592	1.4
300.99869	0.9
301.10687	2.3
310.08423	1.8
311.09247	5.0
313.07327	1.6
313.10934	3.9
314.07990	8.9
315.08401	0.9
323.09271	1.0
324.09836	0.9
325.10678	4.1
326.07895	3.9
326.11575	2.5
327.12283	1.1
328.09256	2.2
328.12930	1.2
329.10287	23.4
330.10706	3.2
340.13031	1.3
341.10272	28.7
341.13641	1.0
342.10580	2.9
343.11758	5.1
343.15408	1.0
344.12625	37.1
345.13190	4.2
356.12595	11.4
357.13107	2.4
358.14130	2.7
359.14969	81.0
360.15308	7.8
371.14948	55.8
372.15283	6.0
373.12851	9.6
374.13348	1.4
389.16232	2.5
421.14883	6.9
445.05771	0.9
537.21271	2.4
567.22223	15.8
568.22632	2.0
615.24304	6.5
616.25598	1.5
733.28088	1.5
763.29639	3.4
764.29431	0.8
767.46027	2.1
811.33154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	100.0
78.63247	36.1
154.27255	33.2
197.21985	42.0
277.21811	39.8
409.81378	37.2
433.35205	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33683	0.3
60.46552	0.2
61.98829	100.0
69.92829	1.4
78.95982	0.2
98.20505	0.3
139.70877	0.2
141.06342	0.3
141.43185	0.2
150.67882	0.2
200.84166	0.3
600.13568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98833	8.2
71.01372	2.0
71.53239	1.1
93.03458	3.1
96.96021	2.0
101.03949	1.2
106.29176	0.8
108.02195	1.2
117.03500	0.9
120.99667	1.1
121.02953	4.2
122.03729	8.2
123.00828	1.1
125.02419	2.9
132.02156	1.7
132.70850	0.9
133.02913	1.6
135.04634	1.0
136.01634	1.3
137.02475	4.8
145.02922	2.2
147.04482	1.7
148.01578	1.2
149.02434	21.0
149.06076	1.4
150.03223	54.7
151.03831	3.1
152.11357	0.8
153.05699	0.9
160.01669	5.0
161.02414	2.1
162.03217	1.1
164.01074	1.6
164.04762	7.6
165.01918	20.5
165.05560	56.3
166.02435	1.1
166.05910	1.6
169.01396	2.5
177.05511	1.4
179.03465	7.4
179.07101	1.8
180.04274	19.3
181.04950	1.5
186.02705	0.8
191.05563	1.4
194.05818	2.5
195.06615	75.6
196.06938	3.8
205.04956	2.2
209.08183	1.3
210.05269	1.2
224.53860	0.8
225.07687	13.8
226.06104	1.0
227.03285	0.9
238.06317	1.1
239.07153	1.0
241.04984	1.3
242.09424	4.4
251.46114	1.1
253.04930	1.1
254.05945	1.1
257.11823	3.4
258.09109	1.4
268.07394	2.0
269.08093	2.6
270.08966	12.2
272.06900	1.2
281.04501	1.0
281.08133	1.5
282.05066	1.4
282.08972	1.2
283.09506	1.3
284.03964	1.0
284.06985	3.5
285.07596	2.5
285.11270	10.1
286.05371	1.1
286.08441	3.0
295.09546	1.4
296.06906	1.8
297.07718	1.8
298.08334	5.9
299.09171	9.8
300.09821	1.5
300.99756	1.8
301.10696	3.2
310.08502	2.5
311.09155	4.3
313.07315	1.8
313.10654	5.1
314.07913	9.3
323.09134	1.4
324.09863	1.6
325.10690	3.9
326.07846	4.0
326.11621	2.8
327.08365	1.1
328.09326	3.9
329.10269	29.5
329.14194	1.8
330.10751	2.4
341.10281	36.7
342.10733	4.8
343.11844	9.8
344.12610	45.6
345.13147	6.7
356.12662	14.4
357.13177	2.7
358.14017	3.6
359.14984	100.0
360.15396	9.0
371.14941	64.9
372.15417	5.7
373.12872	36.5
374.13214	3.9
389.16101	2.0
421.15005	16.4
567.22247	10.7
568.22839	2.8
615.24451	4.5
616.25256	1.0
733.28601	1.4
763.29462	3.9
763.41718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86294	0.3
69.31044	0.6
69.31442	2.3
93.03462	4.7
108.02146	0.5
109.02978	0.7
109.68227	0.3
121.02961	5.2
122.03742	16.4
123.00906	0.4
123.04532	0.7
124.01651	0.5
127.41372	0.3
132.02202	0.3
133.02966	1.9
134.03746	1.0
135.04501	0.9
136.01671	3.5
137.02454	3.2
139.03998	0.4
146.03716	0.8
149.02443	20.2
149.06062	0.8
150.03226	100.0
151.00391	2.0
151.04005	6.5
152.01163	0.5
152.04724	0.5
154.33260	0.4
161.02420	0.4
162.03250	0.6
164.04813	4.2
165.05569	90.4
166.02731	4.3
166.05882	3.9
167.03471	0.5
168.24742	0.4
177.05588	0.8
179.03535	0.5
179.07152	4.3
180.04305	5.9
181.05054	6.4
193.05122	0.4
195.06630	58.1
196.07007	2.0
205.05156	1.1
209.53064	0.4
219.06564	1.0
220.07356	0.9
221.07990	0.6
225.07767	0.5
232.36763	0.4
271.48770	0.3
371.11102	0.5
387.10495	0.5
387.14700	3.0
402.13516	0.5
403.13715	0.4
417.15536	6.3
535.16235	0.7
565.20807	9.9
566.21381	0.9
595.22321	1.8
613.22699	2.6
713.26141	1.1
743.26831	0.8
749.97241	0.5
761.27911	1.0
809.30280	1.3
810.30194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98829	6.2
69.39507	1.3
69.39914	0.4
75.00879	0.2
76.09135	0.2
79.91932	0.2
85.72681	0.2
93.03458	4.6
95.01404	0.3
95.05008	0.4
105.03461	0.4
107.05065	0.3
108.02189	0.8
109.02951	0.7
121.02951	5.5
122.03738	16.5
123.00884	0.6
123.04633	1.1
124.01691	0.5
125.02440	0.4
133.02939	1.8
134.03720	0.6
134.89433	0.6
135.04556	0.5
136.01654	2.4
137.02443	1.3
138.03224	0.5
145.02957	0.4
146.03731	1.1
147.04567	0.3
149.02438	18.9
150.03221	100.0
151.00392	1.3
151.03796	3.9
152.01161	0.3
154.02718	0.2
161.02475	0.5
161.06039	0.3
162.03148	0.6
163.03918	0.4
164.04791	3.8
165.05562	99.7
166.02740	3.8
166.04167	0.3
166.04465	0.3
166.05884	4.2
167.03357	0.2
175.04044	0.3
177.01965	0.6
177.05574	0.9
178.02715	0.3
178.05898	0.2
179.03418	0.3
179.07129	4.9
179.08607	0.4
180.02693	0.4
180.04265	6.9
180.07578	0.3
181.05052	5.5
187.04008	0.3
193.04921	1.1
195.06615	78.7
196.06960	3.4
205.05046	1.0
219.06590	0.6
220.07217	0.4
221.31680	0.2
225.07671	0.3
329.10165	0.3
353.35968	0.2
357.09671	0.3
372.12238	0.3
387.10205	0.5
387.14810	2.4
402.13107	0.5
403.13861	0.5
417.15506	8.1
418.16013	0.8
471.16605	0.5
485.62653	0.2
565.20728	3.2
595.21521	0.9
613.22784	3.1
614.22894	0.5
667.23456	0.6
761.27795	0.6
791.29572	0.4
809.29913	1.2
810.30487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04386	10.2
59.01380	12.0
61.98831	80.1
70.39223	24.1
71.01379	12.0
78.95905	28.5
80.96545	19.6
87.97014	9.5
89.02448	13.6
95.01418	11.5
121.15145	9.6
125.02412	44.4
128.59232	11.5
131.00978	12.1
169.01404	46.9
194.57745	10.8
209.11769	100.0
227.12901	12.8
229.01416	13.9
232.61557	10.3
253.09279	13.6
266.48010	9.5
277.21680	12.9
293.21271	83.5
300.99860	27.5
564.53320	10.2
735.41479	13.1
807.41699	48.7
808.42273	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	808.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98518	0.2
69.92831	0.3
69.93224	0.5
70.40483	0.1
98.20570	0.2
103.35557	0.2
128.90240	0.1
166.48993	0.1
176.99194	0.2
573.84399	0.1
732.38922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54016	0.5
69.90006	0.6
70.16972	2.3
73.00949	0.6
75.53359	0.7
85.05611	0.7
93.03472	3.9
95.01347	0.8
108.02182	0.8
109.02957	2.0
121.02973	6.4
122.03737	16.0
123.00867	0.9
123.04520	2.3
124.01600	1.0
132.02251	0.9
133.02950	2.8
134.03741	2.6
135.04492	1.0
135.49400	0.6
136.01643	6.8
137.02444	5.0
146.03772	1.4
147.04573	1.2
149.02441	30.6
149.06091	2.9
150.03226	100.0
150.41943	0.6
151.00375	1.9
151.04019	19.2
152.01189	1.2
152.04643	1.1
153.01837	0.8
162.03217	1.3
164.04785	5.9
165.05568	93.7
166.02711	6.3
166.05898	3.5
167.03488	1.6
177.05577	2.6
178.93451	0.6
179.03566	1.2
179.07111	8.2
180.04283	5.7
181.05035	7.7
183.13745	0.6
184.03784	0.8
195.06618	51.7
196.06972	1.1
205.03218	0.7
205.05046	2.7
219.06706	1.4
220.07306	1.4
315.08624	0.7
324.85992	0.6
329.10229	1.0
347.68530	0.7
373.12775	1.8
387.10104	1.0
387.14777	3.1
391.35321	0.7
402.13223	1.2
403.13718	1.1
416.14566	1.3
417.15625	9.5
418.15875	1.0
445.70004	0.7
471.16101	1.0
535.15790	0.7
551.19312	1.1
565.20715	20.4
566.20673	2.9
594.32361	0.7
595.21533	3.0
613.22864	6.0
667.24170	1.0
713.25891	8.4
714.25623	1.4
743.27307	3.1
761.28107	2.2
773.27521	0.8
791.28491	0.9
809.29803	1.8
830.37219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01383	2.4
61.98532	0.3
61.98834	5.0
69.03432	0.4
69.42714	0.2
71.01381	2.8
71.52869	0.3
72.99341	0.2
73.02959	0.3
74.09208	0.2
78.91879	1.4
78.95902	0.5
80.91671	0.5
80.96511	0.9
82.95404	1.4
83.01419	0.3
85.02954	0.7
87.00867	0.5
89.02450	2.1
90.82623	0.2
96.33128	0.2
96.96026	0.3
97.02932	0.2
101.02451	1.9
109.06603	0.2
111.08155	0.3
113.02443	1.1
113.09714	0.4
119.03488	0.6
128.34943	0.2
132.07964	0.2
138.67598	0.2
143.03470	0.3
144.68303	0.2
152.99577	0.2
161.04506	1.2
164.98692	0.2
167.10806	0.3
171.10225	0.3
179.05594	0.6
179.14406	0.5
195.13901	8.0
196.14351	0.6
205.12360	0.6
205.15993	0.4
211.13387	0.4
215.45154	0.3
223.13387	5.8
223.15602	0.3
224.13889	0.5
228.13605	0.7
231.21120	0.3
235.08237	0.5
249.10995	0.5
253.09288	15.5
254.09587	0.3
256.13263	1.3
265.21893	0.3
275.17337	0.4
275.20151	5.0
276.20581	0.5
277.21808	1.0
291.19659	0.4
293.21219	100.0
294.21548	7.0
309.20804	0.5
475.27084	0.2
475.64481	0.2
492.22021	0.5
529.30231	0.8
569.42255	1.1
570.42236	0.3
675.96008	0.2
701.29474	0.2
805.40869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
58.25828	0.5
59.01374	6.0
60.80072	0.5
61.98829	4.0
69.79495	2.3
71.01385	5.9
73.02939	1.7
77.47353	0.5
78.95896	2.0
80.96503	0.6
83.01396	0.5
83.05038	0.6
85.02965	1.8
87.00867	0.9
88.71896	0.5
89.02443	3.7
97.06612	0.7
98.20625	1.0
99.92541	1.2
101.02428	4.8
111.08144	4.3
113.02467	2.4
113.03741	0.5
118.95102	0.5
119.03511	1.2
134.52551	0.5
137.09801	0.8
145.04996	0.6
158.33789	0.5
161.04524	1.6
169.12291	2.5
171.10226	3.0
190.34518	0.5
193.12456	0.7
197.11827	21.6
198.12155	0.8
199.13380	1.5
207.13957	0.9
209.15446	4.8
211.13435	2.8
217.04587	0.5
217.06613	0.6
221.15393	0.8
223.13348	0.7
223.17035	1.9
225.14902	4.3
227.12883	0.6
228.13007	0.6
233.15382	1.2
235.08223	4.7
242.14047	0.5
248.99001	0.6
249.15025	3.3
251.16531	3.3
253.09286	14.7
263.20203	2.2
265.18118	0.7
273.18591	2.5
277.21707	100.0
278.22086	6.8
291.19659	18.2
291.22351	0.6
292.19968	1.6
309.20709	35.3
310.17798	0.5
310.20966	2.9
420.30292	0.5
545.29431	0.9
603.26929	0.7
651.36682	0.6
697.92535	0.5
717.32806	0.5
805.43988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98530	0.2
63.99263	0.2
71.01387	0.2
73.11418	0.1
74.56682	0.1
78.95894	0.2
78.98583	0.1
79.82687	0.1
79.95735	0.3
80.96521	1.4
89.15317	0.1
94.98103	0.3
98.20662	0.3
100.25745	0.1
120.63365	0.1
125.02345	0.1
134.97539	0.1
148.99141	0.1
155.71422	0.1
162.42523	0.1
164.98589	0.2
206.99582	0.1
219.99930	0.1
225.00792	0.5
273.07782	0.1
804.39075	0.5
805.40436	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	805.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.5
69.03469	3.1
71.01402	1.9
78.95899	77.5
79.95750	3.4
80.96516	7.3
84.02159	6.0
87.19487	1.4
96.96975	5.8
97.06586	8.1
98.19841	2.9
99.04529	3.3
99.92611	7.7
109.06586	2.4
116.76376	1.2
116.92901	1.7
125.09688	1.9
133.77283	1.2
137.09805	1.9
152.99582	77.3
167.01175	1.9
171.00621	7.1
171.10269	23.5
177.12766	1.2
178.88452	2.3
179.89243	3.7
183.13890	4.1
193.12344	11.0
193.90700	1.9
196.89528	3.5
199.09741	4.7
207.10327	3.7
209.11819	3.0
211.13411	4.5
225.00795	2.6
225.11453	2.5
225.14941	15.5
226.15392	2.4
227.03247	7.4
235.72523	1.5
243.16040	7.9
245.04280	1.5
253.21721	28.4
254.22041	2.3
255.23351	4.4
277.21564	1.7
291.19760	2.1
341.23312	44.3
342.23792	4.8
375.29904	1.5
453.15384	1.9
455.17273	1.4
471.16525	4.5
477.22476	7.1
550.38129	1.4
551.26318	4.6
569.27301	100.0
570.27618	15.1
707.37793	15.4
708.38574	4.4
805.48950	81.9
806.49426	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	803.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
61.98816	0.8
64.76162	0.5
69.55472	0.5
71.53655	1.0
77.73820	0.5
83.01395	0.6
85.14698	0.7
88.98824	0.8
89.02443	0.8
93.03410	0.8
96.96004	0.5
101.02441	0.9
107.01340	0.6
109.02972	0.5
113.02480	0.7
125.02435	2.7
135.04546	0.9
137.02451	2.8
146.03734	0.6
151.00307	0.7
157.06618	0.7
161.02423	0.7
165.01909	1.5
165.05620	0.7
167.03545	1.2
169.01468	0.8
175.07689	0.6
177.01871	0.8
179.03470	1.2
183.04691	0.7
191.05656	1.3
193.35133	0.5
211.04071	1.0
217.08755	0.6
224.50667	0.5
227.03479	31.9
228.03818	0.9
229.04959	0.6
229.08746	0.8
255.02980	42.7
256.03644	4.5
284.03244	53.7
285.03979	15.9
286.04474	0.9
304.61722	0.6
323.12665	0.7
324.19247	0.6
327.05093	0.8
367.11667	2.4
385.12823	1.5
417.08249	100.0
418.08612	8.1
728.43646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
66.06479	0.1
79.95743	0.4
80.96517	0.7
96.96018	0.4
111.76244	0.1
151.07977	0.1
192.41130	0.1
207.10330	0.1
225.00786	0.1
267.20740	0.1
277.21729	0.2
437.69434	0.1
803.39160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98537	0.2
72.65287	0.1
74.72706	0.1
76.00854	0.1
78.95923	0.1
98.20650	0.4
105.06359	0.1
143.66832	0.1
182.79817	0.1
194.21825	0.1
200.87616	0.1
229.77240	0.1
520.23822	0.1
608.84082	0.1
706.52216	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	802.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18688	0.1
59.01359	0.1
61.98827	100.0
62.98538	0.1
64.85806	0.1
69.78239	0.1
70.98339	0.3
80.33918	0.1
80.96525	0.3
87.00986	0.1
134.30724	0.1
147.30045	0.1
178.64159	0.1
203.04329	0.1
203.40761	0.1
211.13455	0.3
212.13756	0.3
246.07782	0.1
249.02223	0.1
277.21667	0.3
289.18323	0.1
379.89453	0.1
500.89426	0.1
803.42719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79060	1.0
57.03437	2.4
59.01374	6.5
69.03471	0.8
71.01374	3.8
77.60360	0.9
81.03452	4.3
83.01380	2.0
83.19240	0.7
85.02938	2.3
85.22948	0.7
89.02455	5.6
92.00504	0.8
93.03448	3.1
95.01375	1.2
95.05010	1.7
97.02960	1.7
99.04517	2.8
101.02449	2.2
105.03458	1.3
106.91498	0.7
107.01407	0.8
108.02207	0.7
109.02957	13.7
113.02449	0.8
116.07993	0.7
119.03462	1.1
119.05012	0.9
120.12411	0.8
121.02949	4.8
123.00860	2.3
123.04497	2.3
124.01671	1.5
125.02448	32.3
133.02913	1.1
135.04582	0.9
137.01469	1.3
137.02452	20.1
138.03221	6.9
139.03963	1.9
143.05020	1.1
145.02876	0.9
147.04472	1.3
149.02438	35.5
150.02881	0.9
151.03983	1.4
155.04948	0.9
161.02434	4.5
161.04501	0.8
163.00363	1.8
163.04031	1.7
164.01157	6.0
165.01923	16.1
166.02711	32.3
167.03497	31.1
167.10603	0.9
168.05811	0.8
169.01404	2.3
171.04486	1.8
173.02472	0.8
173.04550	0.8
174.03159	1.5
175.03996	14.6
176.01138	4.9
177.01891	2.4
185.06035	1.2
187.04042	1.3
189.05486	0.9
191.01892	1.2
191.03604	1.5
191.05588	6.5
192.00653	6.0
193.01447	7.9
197.06075	1.9
198.03221	3.0
199.04004	17.9
201.01913	4.9
203.03503	1.0
209.04556	1.7
209.41165	0.8
212.27544	0.8
213.05490	3.8
215.03448	2.6
216.03975	0.8
217.05061	14.4
218.05377	1.4
219.02858	1.4
223.03976	1.0
226.02739	1.7
233.12224	0.8
241.05061	34.5
242.02214	1.9
242.05338	1.9
243.02962	7.3
249.04042	1.4
257.04510	2.0
259.06046	1.7
275.01987	2.3
285.04037	100.0
286.04413	4.5
300.99902	3.8
302.00253	1.4
303.05090	26.7
304.05475	2.4
329.08765	42.1
330.09210	2.3
337.09155	1.3
339.07193	7.7
352.86929	0.7
355.06647	7.6
401.71338	0.9
465.10361	91.1
466.10712	10.0
785.06549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16564	0.4
59.01362	0.8
60.67515	0.3
61.98834	2.9
62.77573	0.3
66.12238	0.3
67.41600	0.3
71.01370	0.6
71.52700	0.3
78.95901	0.7
80.96509	1.2
82.96094	0.8
83.84166	0.3
94.98116	0.3
99.92605	0.4
113.02384	0.3
120.46387	0.3
137.89285	0.3
146.35385	0.3
152.99559	0.3
154.84460	0.3
168.63016	0.3
171.10204	1.0
219.57524	0.3
225.00731	0.4
235.08287	0.7
241.01376	0.4
255.23358	2.6
261.22238	0.5
272.34497	0.3
277.21591	0.7
279.23267	100.0
280.23590	7.9
287.16461	0.3
305.17599	0.4
309.20541	0.4
327.21811	1.4
711.38544	0.5
801.42340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.16835	0.2
71.01414	0.3
74.82569	0.2
77.03407	0.2
78.95909	0.3
80.96531	0.6
81.54906	0.2
91.57191	0.2
98.19830	0.3
101.02479	0.2
125.02466	0.4
126.90411	4.3
127.00372	0.3
169.01665	0.2
171.10240	0.2
211.13394	0.2
225.00531	0.2
293.21341	0.5
301.62106	0.2
307.87152	0.2
371.90845	0.2
630.15735	0.2
802.49530	0.3
803.39081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98516	0.1
69.98289	0.3
74.71304	0.1
78.95914	0.1
79.95755	0.3
80.96514	0.8
96.70520	0.1
96.96027	0.3
98.20627	0.1
209.11844	0.2
211.03500	0.1
225.00824	0.1
256.68823	0.1
277.21771	0.2
280.08908	0.1
437.94000	0.1
619.29187	0.1
785.39600	0.2
803.38580	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
59.01378	2.6
61.98827	9.2
67.01888	0.8
69.03454	1.7
71.01379	4.4
72.99306	0.7
73.02929	1.3
78.95903	1.5
79.01881	0.9
81.03452	0.7
83.01382	1.3
85.02950	2.9
87.00877	1.1
90.05201	0.8
94.98112	0.8
95.01398	1.8
96.65710	0.6
96.96013	5.7
96.96946	0.8
97.02960	1.3
98.20760	1.4
101.02433	2.8
107.01390	8.7
111.00894	2.2
113.02467	4.7
116.92878	0.8
123.00870	8.2
124.01707	1.1
125.02445	69.7
126.02824	2.2
136.98839	1.5
137.02455	1.2
139.00394	4.6
140.01180	3.2
151.00351	9.5
153.01927	1.5
161.02457	1.8
167.81372	0.6
168.00630	5.5
169.01424	100.0
170.01733	3.9
171.10324	0.9
179.03482	1.3
181.05089	0.9
193.01367	0.7
209.11813	2.4
211.13409	1.3
218.05957	0.6
223.02499	1.4
225.04083	1.4
229.83098	0.8
233.15529	1.0
249.14897	0.7
253.03532	0.9
300.99942	1.2
313.05637	57.4
314.05981	3.8
421.26025	0.8
469.32971	0.9
487.34390	1.0
783.38068	1.7
801.40698	69.4
802.41083	20.1
802.56274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01377	2.0
61.98828	9.0
66.76355	0.7
67.01901	1.0
68.99827	0.6
69.03458	1.6
70.47229	2.0
71.01381	3.3
72.99315	0.8
73.02937	0.8
79.01897	1.2
81.03458	0.6
82.05893	0.5
83.01374	1.0
85.02967	2.8
93.27290	0.6
95.01392	1.7
96.95998	2.6
97.02944	1.3
101.02452	2.4
107.01382	9.3
111.00893	2.0
113.02436	4.5
116.92847	0.7
120.41194	0.6
123.00870	8.6
124.01667	1.2
125.02444	67.1
126.02789	1.7
135.04636	0.7
136.98796	1.1
137.02425	0.9
139.00349	4.3
140.01128	2.8
141.01924	1.1
148.71297	0.6
151.00366	9.5
153.01907	0.9
168.00607	4.1
169.01413	100.0
170.01743	3.7
179.03427	1.4
181.05107	0.8
209.11652	1.2
211.13437	1.0
223.02412	1.6
225.04013	2.0
245.51215	0.6
253.03590	0.7
300.99884	1.4
313.05627	64.4
314.05972	3.4
431.18665	0.6
487.34128	1.0
680.79773	0.6
801.40637	69.1
802.40955	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	801.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01378	3.5
61.98830	49.2
63.96238	2.2
64.68021	1.1
66.16324	1.1
69.45618	4.5
69.46044	4.6
69.73602	1.2
71.01385	12.5
73.02963	1.8
78.95925	1.3
78.98595	7.5
79.95735	17.9
80.96518	100.0
83.01372	1.4
85.02973	5.2
87.00896	4.3
91.10764	1.2
94.98088	21.7
95.01391	1.5
96.96024	3.0
97.02965	2.8
98.19904	2.3
99.00887	1.7
101.02464	4.0
106.98086	5.7
107.01399	1.4
111.00906	1.3
113.02460	1.3
116.92877	4.4
122.97602	4.3
123.00894	2.8
123.04533	1.5
125.02448	11.4
126.99628	1.2
134.97606	4.7
135.04463	2.1
136.01663	1.3
136.05359	1.2
136.99129	1.4
145.02960	1.3
148.99129	7.8
151.00410	3.4
151.04030	4.9
152.98611	8.8
153.01927	1.3
161.02480	2.1
164.98643	15.8
165.01878	1.1
169.01472	6.3
179.03517	1.9
206.99745	3.0
209.11856	10.9
210.12303	1.8
225.00742	32.7
227.03493	8.7
229.05109	2.0
240.04262	1.3
255.02989	15.8
256.03757	2.2
267.06729	1.3
283.02545	1.3
284.03223	10.7
285.04047	17.6
286.04733	1.4
295.06433	2.0
299.05713	1.8
300.99918	9.6
323.05557	12.7
323.81091	1.4
471.12836	1.7
521.04327	1.4
541.19684	4.4
639.24774	2.6
639.34937	2.6
771.19757	5.0
783.20032	3.9
784.19989	2.0
801.36169	94.1
802.36285	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	801.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51831	0.4
57.03444	2.1
58.00582	0.9
59.01380	100.0
60.01714	0.9
61.98836	1.8
69.03468	1.3
69.43674	3.4
71.01385	27.3
72.01742	0.6
72.99310	1.8
73.02950	6.2
75.00902	0.6
83.01400	3.6
85.02953	13.3
86.00080	0.5
87.00883	1.8
89.02449	9.5
95.01386	2.7
97.02983	2.0
99.00907	2.0
100.52967	0.4
101.02445	12.5
101.03113	0.8
102.09930	0.5
111.00908	1.5
111.78992	0.4
113.02454	18.7
114.02781	0.6
119.03541	3.0
124.01672	4.1
125.02460	5.5
129.01952	0.5
143.03510	4.2
159.03043	0.5
161.04536	3.2
179.05661	0.6
285.04053	0.5
449.29001	2.9
467.30411	2.1
557.31415	1.7
575.32458	1.5
593.33325	15.0
593.42395	0.8
594.33807	2.3
611.34332	47.7
612.34717	7.5
629.35419	19.3
630.35931	2.7
653.35461	6.7
654.35675	1.1
671.36511	14.1
671.47437	0.8
672.37201	1.9
713.37323	0.6
725.28589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
69.36520	1.7
69.36933	3.2
78.33097	0.6
83.01413	0.6
85.02943	4.7
85.87560	0.7
86.36863	0.5
93.03449	2.1
95.01405	0.6
98.20718	1.0
108.02187	1.3
108.51800	0.7
109.02975	3.1
111.00880	0.9
113.04187	0.6
119.01323	0.7
121.02928	1.2
123.00867	1.0
125.02435	10.1
127.03973	0.8
128.16556	0.7
133.02945	1.4
135.04465	1.3
137.02472	0.8
145.02950	0.8
147.00874	9.8
147.04500	2.5
148.01628	2.6
149.02315	1.4
161.02435	2.5
163.00359	1.0
163.04024	1.2
165.05589	0.7
169.01410	1.4
170.03761	1.1
171.04466	0.7
174.03287	0.7
175.04022	1.8
176.01309	0.8
177.01932	1.5
177.85449	0.6
179.03423	1.1
183.04568	1.7
184.05104	0.8
185.02544	0.6
185.06024	1.0
187.04010	1.0
188.04721	1.1
189.05632	0.8
191.05598	67.4
192.05920	2.4
195.04538	1.6
196.05426	0.6
199.03952	2.4
201.01854	1.2
203.03563	1.4
211.04019	4.0
212.04753	4.7
213.05496	1.2
214.02637	0.9
215.03453	0.7
217.05069	1.7
227.03479	4.2
228.04176	1.2
229.01372	0.9
229.05031	1.4
231.03009	1.5
239.03488	5.5
240.04169	4.6
241.05028	1.8
243.02873	1.1
247.02466	0.8
249.03973	0.8
255.02992	9.5
256.03702	6.4
257.01004	0.8
257.04434	3.7
258.01447	0.6
275.01877	4.8
283.02512	6.9
284.03247	76.3
285.04001	50.3
286.04309	3.9
299.05536	2.3
300.99896	9.6
321.06198	1.4
353.08713	7.4
354.09204	0.8
447.09283	100.0
448.09561	9.6
514.91809	0.7
729.09119	0.6
757.08429	0.8
783.05920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98830	100.0
65.77500	0.1
71.01401	0.1
72.99322	0.1
80.27222	0.1
88.98800	0.1
90.52480	0.1
94.98100	0.2
95.01384	0.1
96.95988	0.1
98.19847	0.1
101.02481	0.1
123.00925	0.1
125.02433	0.4
149.06096	0.1
159.87178	0.1
161.02553	0.1
169.01440	0.6
179.65828	0.1
200.33238	0.1
228.80688	0.1
242.55896	0.1
300.99899	0.2
306.73618	0.1
313.05673	0.1
322.77780	0.1
349.88943	0.1
563.03876	0.1
603.39496	0.4
659.56104	0.1
689.55383	0.1
801.41217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60532	1.0
58.06096	0.8
69.19818	9.1
71.01385	1.4
72.79263	1.1
95.01395	3.4
102.87051	0.9
108.02184	1.3
119.05057	1.3
123.00905	7.5
125.02473	6.9
129.03523	1.1
131.05104	1.1
133.02948	1.5
135.02942	1.9
135.04559	1.5
139.00356	1.3
145.02962	4.3
147.04526	2.9
157.02930	2.9
158.03734	1.3
159.04527	1.9
161.02438	2.5
163.00394	1.1
163.04021	3.0
166.82062	0.9
166.99832	1.8
168.00626	1.4
169.01463	4.7
172.01749	1.1
173.02438	5.5
175.04042	5.1
177.01950	1.6
179.03532	1.3
185.02419	6.4
187.03934	1.2
189.02013	3.6
190.02687	1.3
191.03506	3.4
191.05476	1.4
200.01161	1.9
201.01918	11.3
202.02583	0.9
203.03513	8.2
212.85049	1.0
213.01892	1.8
216.00732	1.2
217.01385	3.6
217.41829	0.9
218.02142	2.1
219.02951	3.2
226.99823	2.6
228.00455	1.1
229.01399	20.4
230.02122	4.2
231.03023	9.3
245.00929	7.8
247.02470	9.1
248.03223	1.3
249.04033	12.4
257.00854	15.4
258.01587	6.2
273.00333	7.5
274.01147	7.7
275.01978	57.1
276.02377	4.2
283.99673	5.2
284.02783	2.2
285.00314	3.2
291.01437	1.6
298.98328	1.8
299.99078	11.0
300.99884	100.0
302.00220	6.8
425.01541	2.7
447.09549	1.2
613.04749	14.7
614.05493	6.7
631.05652	1.9
632.06525	5.0
633.07483	12.5
634.07507	2.1
757.08887	12.0
758.09576	3.0
783.06903	12.0
784.06769	1.5
801.07788	20.5
802.07874	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	799.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.6
61.98840	3.3
63.43949	0.6
67.55890	0.6
69.03445	0.7
71.01375	3.9
73.02947	0.7
78.95898	2.2
78.98585	1.9
79.95731	4.0
80.96521	15.6
81.95300	0.9
82.96101	3.0
85.02949	1.2
87.00875	1.3
89.02439	2.0
94.98087	3.2
98.20688	1.4
101.02448	3.1
106.98121	0.8
113.02439	1.4
119.03389	0.7
120.37521	0.7
130.27858	0.7
134.97583	1.2
148.99149	0.8
152.98564	1.1
161.04503	0.8
164.98605	2.5
171.10201	0.7
175.25958	0.8
181.94676	0.7
183.13823	3.5
193.12320	1.2
209.11868	0.8
211.13383	82.9
212.13715	3.1
225.00772	4.3
227.00400	1.0
227.12988	0.8
235.08112	5.5
253.09320	7.8
255.23247	2.3
277.21707	100.0
278.21994	8.4
281.98560	0.8
429.21252	2.0
447.22366	3.6
496.31287	0.7
513.30902	2.4
706.21790	0.7
707.42767	1.0
709.38354	3.1
781.41168	4.9
782.40533	1.2
799.43213	15.4
800.42664	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	799.4219
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
57.93788	1.2
59.01387	2.0
61.98834	15.3
63.13983	1.2
65.70333	1.3
70.99569	1.6
71.01374	4.8
72.99312	1.5
73.02945	1.7
75.00470	2.1
75.00875	37.4
78.95906	63.2
78.98595	2.5
79.19495	1.2
79.63743	1.5
79.95723	2.3
80.96519	20.1
81.03448	1.1
83.05011	3.7
94.98082	3.9
96.96976	13.3
106.98084	2.0
118.47907	1.1
122.43392	1.1
125.02438	2.3
125.09731	2.9
127.11279	3.7
131.10405	1.3
134.97578	2.1
136.01402	1.3
148.99182	2.0
152.98572	2.0
152.99620	14.6
163.11240	3.7
164.98676	2.8
165.09216	1.5
166.76747	1.1
171.10268	2.9
196.27414	1.3
198.28050	1.2
201.11330	41.2
202.11690	1.9
209.09897	2.2
209.11827	40.1
210.12146	2.9
211.13361	2.0
223.00006	3.4
225.00784	7.1
227.12881	4.6
231.67450	1.2
239.00076	1.4
241.01205	24.1
255.23286	29.0
256.23560	3.0
259.02347	2.3
277.21674	6.6
300.99777	3.4
781.40942	7.5
781.53815	1.2
782.41632	1.6
799.42273	100.0
800.42603	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59365	2.1
56.97666	2.3
64.30053	1.7
64.59783	1.8
65.00338	2.4
67.01848	2.4
68.99797	1.8
69.57211	4.7
69.57609	11.8
85.02947	2.2
93.03439	5.7
95.01376	4.1
105.03454	5.5
107.01368	8.1
109.02985	4.5
111.00902	2.7
113.02444	2.5
117.03470	3.8
119.04979	11.6
121.02958	3.9
123.00870	7.6
125.02442	50.4
129.23639	2.2
129.76698	1.9
133.02911	7.4
135.04510	22.8
137.02435	5.9
139.00340	2.1
145.02942	13.2
147.00832	2.3
147.04549	12.3
149.02385	4.0
151.00359	6.3
159.04510	2.2
161.02440	29.4
162.02930	2.2
163.00365	5.4
163.03998	37.5
165.01927	7.6
165.05530	4.3
169.01433	36.1
173.02431	11.7
173.04533	6.5
175.04089	2.6
177.01865	5.8
178.99844	4.5
179.03529	10.6
179.07310	2.0
187.00336	4.4
189.01938	22.9
190.02641	11.2
190.99814	3.4
191.03506	100.0
191.05511	12.8
192.03766	6.5
193.01285	1.8
199.03914	3.7
201.01910	2.9
203.03558	4.0
205.01392	4.0
207.03003	2.7
209.00990	5.3
209.04485	5.8
209.08151	2.6
214.99835	2.7
216.00574	2.4
217.01421	12.8
219.02933	6.3
227.03423	4.1
229.01344	3.3
233.00861	4.5
234.01752	2.9
235.02449	57.3
236.02843	2.6
243.02899	3.3
245.00838	7.8
247.02409	9.1
257.00842	3.2
261.00385	34.4
262.00674	2.4
263.01816	4.0
271.02405	23.4
272.02820	12.1
273.00394	4.2
273.03116	6.4
275.01825	6.2
279.01389	3.7
288.99771	3.1
289.07101	2.1
291.01459	2.3
298.98682	4.3
299.02017	26.1
300.02341	25.4
300.99744	17.4
301.02960	20.2
302.00171	3.0
302.03714	7.1
303.04004	3.9
353.08835	7.2
361.05658	10.1
363.03555	2.2
389.04971	3.1
405.04678	6.7
416.29971	2.2
445.14038	3.1
453.06226	2.4
504.09183	2.9
505.09454	7.2
506.09796	9.0
507.10507	6.2
513.06647	2.8
557.05713	18.9
575.06781	20.0
603.06201	3.3
683.08990	3.4
709.16467	3.3
710.16791	9.5
711.16760	41.1
727.07837	80.4
728.07977	13.9
755.05627	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	799.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
61.98829	100.0
62.98534	0.8
63.96215	0.9
63.96798	0.7
71.01382	7.3
73.02964	1.7
77.87822	0.6
78.95904	4.7
78.98581	5.2
79.95731	11.0
80.08452	0.7
80.96515	60.1
81.03445	0.9
85.02969	2.6
87.00882	1.9
94.98086	12.0
96.96014	1.4
97.02957	1.2
99.00890	0.8
101.02472	1.8
106.98108	2.7
115.81109	0.7
122.97593	2.2
125.02446	2.0
134.97629	4.0
136.99141	1.4
148.99118	4.8
152.98602	4.3
164.06592	0.7
164.98604	7.9
171.10309	1.1
206.99695	1.3
207.10349	0.9
209.11862	3.0
210.12189	0.9
211.13385	7.8
225.00748	17.0
225.11415	0.8
241.01187	0.9
253.09343	1.2
255.23311	2.5
277.21704	6.6
278.22198	0.8
281.24789	1.7
438.74997	0.7
453.14468	1.3
469.65863	0.8
525.16107	1.2
537.27234	1.1
709.38342	32.3
710.38654	3.9
748.48151	1.2
749.48157	2.5
781.40509	15.5
782.41199	2.3
799.41553	35.0
800.41455	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	797.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	2.3
69.35419	8.2
89.58253	1.1
93.42809	1.1
107.01388	2.5
108.68097	1.1
110.66850	1.1
151.00375	6.6
163.00471	1.5
171.53598	1.2
172.70961	1.1
178.99849	1.6
199.03990	4.2
215.03471	1.7
227.03445	5.7
237.69392	1.4
243.02956	5.4
245.90080	1.4
254.02316	1.6
271.02466	65.8
272.02753	3.6
299.01965	100.0
300.02524	16.6
301.03479	28.1
302.03830	2.2
313.03546	1.4
339.14667	1.3
365.63843	1.4
371.27841	1.3
418.18286	1.3
499.73032	1.2
504.09024	21.3
505.09790	27.4
506.10007	3.5
667.15381	2.9
709.16077	81.5
710.16663	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	797.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
65.00323	0.9
69.08388	0.9
71.00703	1.5
71.01373	0.8
75.63248	0.7
83.01383	0.7
91.00853	0.8
96.96000	0.8
107.01392	2.1
109.02953	1.5
121.02915	0.9
125.02429	3.1
132.92470	0.8
133.02962	1.2
150.21861	0.6
151.00360	7.4
161.02425	1.2
163.00369	0.7
171.04530	0.8
175.04028	1.3
178.99876	1.5
183.04433	0.8
187.04034	1.5
191.05629	1.4
191.72755	0.6
199.04045	3.5
201.01836	1.2
201.05464	0.7
215.03471	1.7
226.02753	1.3
227.03479	3.0
243.02979	4.1
254.02235	1.5
255.02950	3.6
271.02466	60.0
272.02859	5.2
275.01901	1.0
285.03973	1.0
288.08582	0.7
299.01956	100.0
299.99020	0.9
300.02509	15.2
300.99808	2.1
301.03464	24.1
301.06909	1.5
302.03903	2.1
317.56589	0.8
343.04413	0.9
504.09143	15.4
505.09796	17.6
506.10208	2.1
547.11151	1.6
602.26575	0.9
667.15350	3.3
709.16180	63.2
710.16583	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	797.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48524	1.0
59.06730	1.1
60.99313	1.0
61.98822	6.2
71.01378	8.7
71.05016	4.1
71.53101	1.3
78.95899	2.2
96.84298	1.1
125.02454	1.5
127.07652	1.3
142.16629	1.1
142.64442	1.1
148.05368	1.4
177.09227	4.1
192.11530	6.5
193.11990	1.0
205.12245	3.1
207.13911	1.7
218.09377	1.6
220.14664	44.2
220.16809	2.2
221.15448	100.0
222.15742	7.0
235.13405	1.6
236.10532	82.5
237.10895	6.5
251.02501	1.1
258.97891	1.1
271.02518	1.4
293.17575	76.9
294.17950	7.4
441.33725	1.4
503.33777	68.4
504.34213	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	795.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97441	0.2
59.01376	0.8
60.99307	17.1
61.98825	3.0
71.01371	0.5
75.00925	0.3
77.24139	0.2
85.02988	0.3
87.00878	0.8
88.00408	1.3
88.98804	100.0
89.02441	3.8
89.99104	0.6
93.03471	0.3
96.96035	0.4
101.02473	0.4
101.50848	0.2
106.66434	0.3
109.02925	0.3
112.98556	0.3
119.05003	0.8
122.03737	0.4
125.02456	0.8
135.02988	0.3
137.02388	0.3
145.03008	0.4
149.02422	0.6
150.03223	2.0
161.02428	0.4
163.03975	0.5
165.05515	1.9
165.65387	0.2
165.99620	0.2
169.01428	1.0
169.54321	0.2
195.06621	1.2
209.11800	1.8
227.12846	0.3
300.99829	0.3
339.79382	0.3
359.15027	0.6
368.14606	0.3
521.79846	0.3
604.42206	0.3
795.33191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.4
61.98831	16.9
78.95905	1.6
83.05048	4.1
88.98824	1.7
96.95992	1.1
97.02978	1.9
104.41857	1.1
119.04944	1.0
137.09734	1.3
152.99661	1.1
165.12840	2.7
169.01260	1.4
171.10298	3.3
181.20969	1.0
193.12323	1.8
209.11876	2.6
247.20657	1.8
291.19699	15.8
300.99924	2.6
309.20697	49.3
309.33060	1.0
310.20917	3.2
357.27969	1.5
389.87863	1.3
405.31332	1.9
413.30801	1.3
423.32700	2.9
441.33969	1.0
467.31711	12.6
468.31921	2.2
485.32724	100.0
486.33090	13.2
603.93243	1.1
741.74420	1.1
746.42261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55968	1.0
58.28871	1.0
59.01377	12.5
61.98831	25.6
68.52265	0.9
71.01372	3.2
75.00854	2.1
78.44826	0.9
78.95906	50.3
78.98592	1.1
79.95732	3.7
80.02659	1.5
80.51567	0.9
80.96515	11.8
81.03447	4.1
83.01379	4.3
83.05016	6.9
84.02157	2.1
94.98086	2.3
95.05074	1.3
96.96924	3.2
109.06558	1.6
122.98497	1.5
125.00090	4.2
125.09703	4.5
135.08157	1.6
147.11787	1.6
152.98679	0.9
152.99632	8.0
163.11324	7.8
164.98604	2.1
165.12816	3.6
168.04315	8.4
171.10275	2.2
181.12349	1.5
191.10782	6.4
197.45633	1.1
199.09688	1.8
207.10243	1.9
209.11823	78.0
210.12155	4.6
223.13293	9.1
224.06963	5.1
225.00693	2.5
225.11285	4.4
226.12042	6.7
227.12930	7.6
228.13167	1.2
241.01120	4.6
241.14462	55.3
242.14754	3.3
255.23288	100.0
256.23575	4.8
277.21893	1.3
326.45157	1.0
419.25345	2.5
462.29968	1.8
478.74780	1.1
480.30716	6.5
619.36176	9.3
620.36835	1.9
645.37982	6.1
646.38556	1.6
690.43274	6.5
704.45013	58.2
705.45276	10.0
722.46173	37.1
723.46741	6.1
725.44495	1.2
779.39185	8.1
796.42035	6.8
797.40631	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	793.4413
Annotation	A 77003
Peak:m/z	Relative Intensity
59.01374	1.9
61.98815	1.7
63.96243	2.1
67.31054	0.5
69.03443	1.0
70.82758	1.3
71.01385	9.5
72.20355	0.6
73.02947	1.7
78.95900	3.9
78.98598	7.7
79.95738	14.5
80.96516	87.5
81.03425	1.1
82.96106	0.5
85.02946	3.4
87.00871	4.0
94.98087	18.1
96.96022	1.6
97.02945	1.6
101.02448	2.7
106.98083	4.2
111.19052	0.6
122.97611	3.5
125.02413	3.5
127.03995	0.9
134.97591	7.1
136.99127	1.9
144.61253	0.6
148.99124	7.1
152.97453	1.0
152.98598	7.7
152.99620	2.2
163.84569	0.7
164.98625	14.6
171.10219	1.6
196.89470	0.9
201.35532	0.6
206.99745	3.5
209.11850	1.2
211.13441	1.0
225.00734	26.6
226.01048	1.0
255.23253	4.6
256.23581	0.8
283.04977	0.9
283.26398	1.8
327.21588	0.6
509.16959	3.5
538.83081	0.6
557.27423	1.0
606.67426	0.6
793.43927	100.0
794.44226	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	793.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
59.13842	0.5
60.30744	0.5
61.98822	1.9
63.96245	2.0
69.03468	0.6
71.01378	11.3
71.32275	1.1
71.71353	0.6
72.01762	0.5
73.02949	2.1
76.41227	0.6
76.45875	0.5
78.95897	1.6
78.98582	8.4
79.95734	17.4
80.96516	94.9
81.03453	0.9
82.96112	0.8
83.01414	0.7
85.02946	3.4
87.00875	3.3
94.98084	22.2
96.95996	1.5
97.02937	1.8
97.94223	0.6
101.02438	2.8
106.98077	5.0
111.43560	0.6
122.97577	3.3
125.02431	4.3
127.04004	1.3
134.97583	6.7
136.99129	2.6
139.19987	0.6
146.97475	0.7
148.99136	8.6
152.98607	8.6
152.99664	0.7
164.98625	16.8
167.00165	0.8
183.14020	0.7
206.99753	3.4
209.11801	1.6
225.00734	25.4
255.23268	1.5
270.55740	0.7
283.04852	0.8
283.26517	1.3
328.64438	0.6
487.57007	0.6
490.49149	0.7
509.17102	4.2
565.30176	1.5
793.44031	100.0
794.44275	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	793.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03149	8.3
61.98841	100.0
62.51101	8.6
63.14782	8.3
73.16418	8.7
78.95908	32.3
83.79283	8.9
119.19930	9.4
152.99547	18.0
163.65689	9.1
185.48019	9.5
209.11829	46.2
222.77905	8.7
229.73570	10.5
261.93542	8.7
279.23260	38.8
431.95148	9.3
588.27014	10.8
793.42181	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	791.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	17.6
69.86159	49.9
72.06059	10.4
97.83639	11.0
123.14746	9.3
124.05459	10.1
127.67870	10.1
196.16000	11.9
209.11806	91.4
210.12309	11.9
239.57014	10.3
277.21786	100.0
791.42822	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	792.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	3.1
63.81744	0.5
68.26637	0.4
70.82042	1.3
71.05025	0.5
140.84200	0.5
164.48370	0.5
190.21312	0.5
209.11829	1.3
238.74481	0.5
309.20743	0.8
407.33215	1.1
425.34555	0.7
443.34875	0.9
469.33255	11.3
487.34286	100.0
488.34671	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	793.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98833	1.9
71.01367	0.3
73.02943	4.1
76.68951	0.2
87.19189	0.2
91.56543	0.2
98.20677	0.3
99.00877	0.9
99.92582	11.7
100.92586	0.3
114.93404	0.4
116.07255	0.2
116.92859	100.0
116.97201	0.9
117.01939	7.5
117.92866	3.7
125.02455	0.7
133.60980	0.2
146.10027	0.2
199.11746	0.2
209.11873	0.3
275.02002	0.2
300.99731	0.3
423.34381	0.2
468.36932	0.2
778.40057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42914	0.2
59.01400	0.2
61.98827	1.8
65.06365	0.1
66.47663	0.1
68.99568	0.2
70.86176	0.3
71.01355	0.2
73.02944	6.9
75.00873	0.1
78.95903	0.2
89.02472	0.2
99.00886	1.4
99.92580	11.2
100.92589	0.4
114.01460	0.1
114.93420	0.6
115.00413	0.3
116.92859	100.0
116.97203	1.2
117.01934	12.7
117.05579	0.2
117.92867	4.4
295.47214	0.1
335.17520	0.2
397.13339	0.2
665.69379	0.2
756.55603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79972	0.9
57.57366	0.8
59.01375	2.1
61.98829	13.6
67.50948	0.9
71.01379	1.6
73.41944	0.9
77.28630	0.9
87.00896	1.4
87.76762	0.9
88.98806	6.1
93.03463	5.4
94.53819	0.9
95.01367	2.8
96.95988	2.0
108.02180	2.8
109.02930	2.6
116.92839	3.0
117.03452	0.9
119.05005	1.8
121.02946	10.4
122.03749	18.0
123.00863	6.2
123.04530	2.9
124.01633	1.8
125.02419	3.0
126.74252	0.9
132.02168	1.0
133.02957	2.4
134.03709	3.4
135.04526	2.7
136.01659	25.5
136.05264	1.2
137.02486	5.7
138.03201	1.6
145.02940	2.6
146.03679	2.2
147.04486	3.6
149.02441	25.9
149.06044	4.3
150.03223	100.0
151.00368	12.8
151.04010	30.0
152.01129	5.7
152.04463	1.2
153.05531	1.1
159.04480	2.0
160.05376	2.0
160.78642	0.9
161.02431	2.7
161.06081	3.4
162.03203	3.1
163.03957	2.7
164.04800	5.7
165.05565	86.4
166.02710	27.3
166.05865	3.7
167.03479	5.7
168.00620	0.9
169.01419	2.7
172.05348	4.7
173.02452	1.5
173.06128	1.1
175.04002	8.4
175.07582	1.5
176.04701	1.9
177.05510	1.7
178.02719	1.1
179.03438	2.1
179.07138	1.8
180.04262	5.7
181.05066	39.1
182.05321	2.2
186.94525	1.0
187.07629	1.1
189.05595	12.6
190.06328	12.7
191.03511	3.3
191.07140	1.5
192.04218	1.9
193.04991	2.8
195.06613	40.7
196.06929	2.1
203.03487	1.4
205.05023	3.4
205.08705	6.3
206.05788	6.2
207.06529	1.7
209.08209	1.6
209.11794	1.1
220.07393	3.0
221.08241	5.1
229.14786	1.6
285.04190	1.2
297.07813	1.8
300.99908	1.7
309.07758	1.9
326.07849	1.1
339.12048	1.3
341.10202	3.3
342.11041	5.0
343.11905	6.6
344.12714	1.1
356.12506	2.2
357.09653	3.9
357.13455	27.4
358.13971	1.4
369.13370	2.6
371.11078	1.4
371.15146	2.5
372.12097	5.5
373.12808	13.1
386.13644	1.4
387.14478	45.2
388.14755	4.3
401.15982	3.2
421.11227	1.6
429.15875	1.3
539.19092	3.1
567.22540	1.8
597.23407	6.3
598.23401	1.7
641.38647	1.5
708.35693	1.1
715.27380	11.8
716.27362	1.7
727.27728	1.6
745.28674	35.3
746.29120	9.2
775.29309	2.6
793.41479	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	789.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.4
61.98832	57.6
69.25378	16.1
69.25789	32.8
71.01382	9.4
75.78493	4.6
78.95893	10.4
88.98824	10.6
96.96057	7.2
117.92207	5.2
124.86929	4.4
125.02445	5.5
131.37126	5.8
132.96724	6.0
137.09770	5.7
161.22762	4.7
163.11143	6.2
167.19943	4.9
205.26968	5.4
207.10289	14.1
209.11821	100.0
225.11250	7.3
227.12819	19.5
253.09299	12.1
289.18088	23.8
301.92358	5.3
307.19193	32.2
309.20636	8.8
344.76123	5.8
355.58694	5.5
486.41736	7.1
543.27075	7.0
789.19623	5.5
789.37598	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17009	0.2
61.98829	100.0
66.42479	0.2
66.99482	0.2
69.80122	0.2
78.95903	3.0
80.96494	1.1
94.98103	0.4
99.92574	0.3
115.92025	0.5
116.92885	0.6
144.61015	0.2
152.99588	2.3
171.10300	0.8
179.89268	0.5
180.90041	0.3
183.14032	0.2
192.09744	0.3
196.89503	0.6
211.13400	0.5
225.00786	0.3
229.14522	0.4
253.21753	0.3
253.64749	0.2
277.21820	0.3
289.07632	0.2
292.81384	0.3
327.21869	0.9
338.79620	0.2
450.32123	0.2
481.87241	0.2
555.25616	1.7
699.30261	0.3
743.65942	0.3
773.30109	0.3
790.42328	0.7
791.31140	0.7
791.46942	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	791.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96051	0.8
61.98831	100.0
63.11909	0.7
70.52454	1.7
70.52852	1.8
71.01385	0.8
78.95905	58.1
80.96516	5.2
82.95399	1.2
86.72968	0.8
88.98804	1.4
96.96011	1.6
96.96967	4.1
97.02934	1.0
98.19927	0.9
99.92581	7.1
100.94162	0.7
109.06590	1.6
115.91312	1.1
115.92074	12.1
116.92077	1.6
116.92855	9.2
120.96900	0.9
141.55937	0.8
150.98051	1.2
152.99594	20.9
163.89742	2.0
164.98706	0.9
171.00667	2.2
171.10283	4.6
172.95511	1.4
178.88455	3.7
179.89207	17.5
180.90002	5.6
194.87971	0.8
195.00667	1.5
196.89496	15.9
197.89391	0.9
205.90828	1.8
207.10223	1.7
209.11839	4.2
211.13339	2.0
222.93024	0.9
229.14433	0.9
235.91774	1.5
236.92584	4.4
237.93240	1.1
252.92117	2.3
253.21663	2.6
274.29950	0.8
290.52667	0.8
327.21786	6.0
371.04309	1.0
386.99243	1.5
428.03391	1.7
455.16910	1.3
463.20395	1.1
501.06873	0.9
519.06970	3.2
520.07764	0.8
537.24817	0.9
555.25800	8.3
725.27374	1.2
755.28754	9.2
756.28723	2.0
773.29553	0.9
791.30670	18.3
791.46460	14.5
792.31488	4.7
792.44855	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	788.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98530	0.2
71.01377	0.2
78.95924	0.2
78.98593	0.1
79.95739	0.4
80.96518	1.7
82.96091	0.1
85.96702	0.1
87.00903	0.1
94.98106	0.3
116.92863	0.1
122.97602	0.1
134.97581	0.1
135.08813	0.1
148.99117	0.2
164.98653	0.2
184.71037	0.1
199.81430	0.1
210.92464	0.1
224.98906	0.1
225.00653	0.4
229.06958	0.1
279.23291	0.2
315.59064	0.1
347.01553	0.1
371.73923	0.1
407.96207	0.1
788.39655	1.1
789.40637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98525	0.1
67.78992	0.1
69.23092	0.5
69.23516	0.6
71.01392	0.4
78.95912	0.3
78.98611	0.4
79.95737	0.6
80.96519	3.7
85.02952	0.2
87.00864	0.1
93.26740	0.1
94.48489	0.1
94.98078	0.9
96.96020	0.2
106.98172	0.1
122.97549	0.2
125.02409	0.1
134.97626	0.2
148.99150	0.4
152.98624	0.2
164.98679	0.5
172.98694	0.1
184.30623	0.1
206.99728	0.1
225.00748	0.8
455.35254	0.2
480.97614	0.1
773.64178	0.1
788.39600	2.2
789.40710	1.4
804.70520	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	788.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78505	0.1
61.98830	100.0
62.98538	0.2
63.99258	0.2
69.95245	0.5
71.01389	0.2
78.95906	0.2
78.98618	0.2
79.95737	0.4
80.96513	1.5
94.98086	0.4
122.97608	0.1
141.62221	0.1
148.99202	0.2
164.98671	0.2
186.23424	0.1
225.00824	0.4
226.01003	0.1
234.87363	0.1
279.23260	0.2
358.41940	0.1
470.21121	0.1
583.37061	0.1
788.39185	0.9
789.40967	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.99247	0.5
65.07649	0.2
66.52763	0.2
71.01382	0.3
71.53370	0.3
78.95922	0.6
78.98589	0.3
79.95733	0.7
80.96514	4.7
80.96956	0.3
82.96098	0.3
85.02984	0.2
87.00894	0.3
94.98091	1.2
109.11616	0.2
120.60827	0.2
125.96710	0.2
134.97546	0.3
148.99178	0.4
152.98576	0.3
152.99673	0.3
164.98653	0.7
190.76913	0.2
225.00824	0.9
230.29674	0.2
277.21774	0.3
279.23325	0.7
280.88702	0.2
344.86917	0.3
476.46069	0.2
788.39380	3.6
789.40253	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	787.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
61.98827	20.9
63.96230	2.0
67.79381	0.4
69.03450	0.5
70.08600	1.5
71.01376	9.6
72.99276	0.5
73.02946	2.4
78.95887	1.1
78.98594	8.1
79.95733	17.2
80.96515	98.1
81.03447	1.1
83.01395	0.7
85.02940	3.7
87.00879	3.6
94.98083	21.3
95.01408	0.6
96.63916	0.4
96.96015	1.8
97.02952	1.6
98.53924	0.5
99.00900	0.7
101.02435	3.4
106.98080	3.8
122.97586	3.8
125.02431	3.7
127.04002	0.8
128.66916	0.5
134.75377	0.4
134.97581	6.4
136.99132	1.9
148.99118	8.4
152.98610	8.0
164.98621	16.3
167.00168	0.7
179.88666	0.4
206.99677	3.6
209.11853	2.9
225.00732	24.4
226.01030	1.1
241.00182	0.5
277.21655	2.0
279.23175	0.9
371.47299	0.5
509.17041	1.8
559.26056	2.2
787.39362	100.0
788.39648	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	787.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.9
61.98828	100.0
62.98537	0.7
63.96228	0.9
63.99258	0.7
69.03447	0.5
69.87325	2.9
71.01375	6.6
73.02939	1.1
74.39836	0.5
78.95891	2.9
78.98595	5.4
79.95735	11.9
80.96516	61.9
81.03458	0.9
85.02959	2.0
87.00868	2.1
94.98090	13.8
96.96003	1.3
97.02955	1.9
98.19886	0.6
99.00916	1.1
101.02450	1.6
106.98076	2.5
122.97572	2.6
125.02473	2.8
127.04048	0.7
134.97597	4.0
136.99036	1.1
148.99132	5.3
152.98605	4.6
152.99626	0.7
164.98608	9.3
174.45053	0.5
206.99622	1.7
209.11800	1.6
225.00732	16.8
243.08385	0.5
277.21704	1.5
279.23346	0.8
290.79959	0.6
296.37939	0.5
409.22946	0.6
509.17020	1.6
549.82764	0.6
639.08807	0.5
639.34821	0.6
682.18701	0.6
787.39343	60.2
788.39661	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	787.1717
Annotation	Quercetin 3-(6''-caffeoylsophoroside)
Peak:m/z	Relative Intensity
59.01369	3.1
63.02408	2.1
65.00320	7.7
69.32080	1.8
69.32481	6.6
71.01360	2.6
71.59190	0.9
82.79576	0.9
83.01378	5.2
85.02918	3.0
87.00861	0.9
89.02454	1.0
91.84039	0.9
93.03447	2.1
98.05857	0.9
101.02416	1.3
102.73683	0.8
104.64128	0.9
107.01386	16.2
108.02163	1.2
109.02932	3.1
121.02951	3.0
123.00814	1.3
125.02439	5.5
132.02061	1.3
133.02950	7.9
135.00893	1.1
135.02988	1.8
135.04546	7.2
137.02449	2.3
145.02975	1.7
148.01607	1.4
149.02409	2.2
151.00368	50.2
152.00670	1.4
159.04350	0.9
161.01161	1.0
161.02440	19.2
163.00377	2.0
164.01093	1.0
165.01852	1.0
169.01424	5.6
169.91954	0.9
175.00316	1.8
175.03941	1.2
177.01910	1.1
177.05589	2.2
178.99857	24.0
179.03397	5.0
180.00150	1.7
191.05540	3.4
193.01431	2.0
193.04945	1.1
199.03926	2.1
203.03551	1.2
215.03532	1.2
221.04494	2.2
226.02705	2.4
227.03500	3.4
243.02995	8.0
254.02206	2.7
255.02971	8.7
257.04535	2.6
271.02463	43.7
272.02795	3.1
273.03964	1.2
283.02390	1.9
285.03925	2.3
289.07022	1.6
299.01953	23.0
300.02731	48.3
301.03510	100.0
302.03873	6.0
323.07739	6.2
453.04187	1.0
463.08749	18.6
503.08652	1.4
607.11383	1.3
617.07129	2.4
624.11224	1.0
625.11957	80.9
626.12213	12.9
642.42377	1.0
787.17114	32.0
788.17773	6.6
812.59888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32103	0.3
61.11240	0.3
61.98839	2.0
71.53053	0.3
77.03960	0.3
91.01908	0.7
93.03465	0.3
108.90189	0.8
120.02150	0.6
121.02954	100.0
122.03294	2.9
125.02440	0.6
136.01622	0.6
150.47876	0.3
152.99620	0.3
165.01904	2.5
169.01437	0.4
180.05901	0.3
181.06577	2.0
191.03500	1.8
197.11801	0.7
209.04541	64.0
210.04890	2.6
225.05566	2.0
289.89450	0.3
300.99860	1.8
313.07144	4.8
314.07614	0.4
357.06186	2.0
367.12830	0.2
401.08759	10.8
401.14008	0.6
402.09100	1.2
549.10077	0.7
575.12146	0.3
785.17450	1.0
785.41443	0.6
786.18152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82295	0.1
61.98828	100.0
62.98542	0.3
63.99247	0.1
71.01392	0.1
79.95754	0.1
80.96506	1.0
91.42588	0.1
94.98085	0.2
98.20660	0.2
112.88872	0.1
125.02531	0.1
138.61119	0.1
163.86295	0.1
164.98616	0.1
202.95978	0.1
209.11833	0.2
225.00716	0.2
277.21982	0.2
278.22064	0.3
538.18634	0.1
786.41473	0.3
787.39484	0.8
819.73053	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	786.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.24548	1.3
80.21026	0.1
80.96536	0.4
82.56610	0.1
98.19926	0.3
152.98654	0.2
225.00893	0.1
787.39777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98544	0.2
69.36699	0.8
75.58569	0.1
78.32005	0.1
80.96507	0.5
93.84922	0.1
112.22495	0.1
118.33691	0.1
225.00964	0.1
237.40433	0.1
318.51730	0.1
361.79169	0.1
435.41211	0.1
530.44220	0.1
629.22876	0.1
787.39642	0.7
805.96649	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	785.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
63.36271	0.1
69.81977	0.5
71.01366	0.4
83.95588	0.1
85.02976	0.3
93.03442	0.4
95.01392	0.6
101.02457	0.1
107.01391	0.8
111.00866	0.2
113.02430	0.2
117.03486	0.4
119.05060	0.2
123.00909	1.4
124.01656	0.2
125.02453	3.1
126.02621	0.1
127.00436	0.1
129.03467	0.3
133.03003	0.2
137.02512	0.2
139.00421	0.3
140.01160	0.3
145.02928	1.1
147.04530	0.3
151.00314	0.2
151.03905	0.1
157.02942	0.7
159.04553	0.2
161.02431	0.5
163.00311	0.2
163.03983	0.4
164.18629	0.1
165.01886	0.2
166.99837	0.3
168.00667	0.3
169.01413	2.7
169.02840	0.2
173.02429	1.7
175.03969	0.5
177.01917	0.2
180.90683	0.1
185.02443	2.3
187.04044	0.2
189.01945	0.6
190.02740	0.3
191.03505	0.4
191.05626	0.7
192.05836	0.2
193.01407	0.3
200.01147	0.2
201.01901	2.3
202.02390	0.2
203.03470	0.9
205.01352	0.1
213.01939	0.4
216.00580	0.3
217.01440	0.5
219.02884	0.2
226.99837	0.5
228.00557	0.3
229.01395	4.4
230.01886	0.3
231.02870	0.7
240.00691	0.2
244.00032	0.2
245.00925	1.9
247.02415	0.4
248.03239	0.1
249.04045	1.0
254.99405	0.2
257.00909	3.8
258.01569	0.5
259.02289	0.2
270.98770	0.3
273.00439	0.8
274.01163	0.5
275.01971	4.8
276.02231	0.2
283.99664	2.1
285.00079	0.2
299.99100	2.4
300.99872	100.0
302.00223	6.1
302.03717	0.3
313.05695	0.9
419.06281	0.1
447.05563	0.6
463.05112	1.4
464.05118	0.2
483.07831	0.2
615.06207	4.7
616.06940	0.7
633.07434	0.4
785.08362	6.8
786.08252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42945	2.5
71.01382	0.7
75.80479	0.3
79.01847	0.4
85.02950	1.5
95.01374	1.8
107.01378	1.7
109.02980	0.4
112.81879	0.3
113.02457	1.5
119.05048	0.6
123.00890	4.0
124.01651	1.2
125.02445	14.2
129.03473	0.6
133.02995	0.5
137.02457	0.5
145.02914	1.7
147.04514	1.4
151.00388	0.6
151.04028	0.4
157.02921	1.2
159.04536	1.6
161.02443	1.1
163.03967	1.4
164.01201	0.6
165.01949	0.5
168.00610	0.4
169.01416	11.6
173.02423	1.9
175.03978	2.9
177.01930	1.5
178.51015	0.3
179.03528	0.5
185.02446	3.4
187.04030	0.9
187.31599	0.4
189.01906	0.9
190.02664	0.9
191.03484	1.5
191.05280	0.3
193.01456	0.8
198.31958	0.4
201.01918	4.3
203.03500	7.8
205.05089	0.5
211.02501	0.4
212.01051	0.4
213.01982	1.7
214.02486	0.4
217.01257	0.8
219.02942	1.0
221.04529	0.8
226.99908	0.5
229.01404	7.9
230.02049	0.7
231.02985	8.7
232.03375	0.5
240.00671	0.3
245.00934	1.9
246.01704	0.4
247.02509	1.5
248.03052	0.6
249.04019	21.9
250.04286	1.0
257.00909	7.0
258.01559	2.5
273.00400	1.7
274.01080	1.0
275.01953	33.2
275.79935	0.4
276.02240	1.3
283.99554	3.0
293.03091	0.6
295.04205	0.4
299.99042	2.6
300.99875	100.0
302.00180	5.1
313.05750	2.1
331.06711	1.2
419.06241	4.0
463.05362	0.9
483.07748	8.1
484.08136	0.6
615.06281	2.4
633.07581	2.3
634.07312	0.4
785.08368	24.8
786.08777	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	784.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98829	100.0
69.03450	0.2
74.32129	0.1
85.94518	0.1
88.41965	0.1
89.40025	0.1
96.96041	0.3
98.13710	0.2
116.92927	0.2
125.02473	0.4
126.90446	0.3
169.01456	0.4
275.02008	0.3
300.99957	1.1
321.21524	0.2
390.97922	0.1
391.03204	0.5
503.34174	0.5
546.86823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98539	0.1
69.76244	0.2
69.76630	0.5
71.01389	0.2
77.46468	0.1
78.98605	0.1
79.95749	0.2
80.96517	1.9
85.02986	0.1
94.98093	0.3
101.02431	0.1
116.92828	0.5
122.97649	0.1
134.97546	0.2
148.99075	0.2
164.98636	0.4
209.11836	0.5
225.00725	0.5
254.13408	0.1
277.21881	0.1
278.22144	0.1
279.23303	0.2
292.91245	0.1
427.53323	0.1
493.98468	0.1
709.59210	0.1
784.42377	2.1
784.56293	0.1
785.41699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.0842
Annotation	Nobotanin D
Peak:m/z	Relative Intensity
65.94800	0.6
71.00621	1.3
71.01384	1.3
78.95927	0.6
85.02941	1.2
91.31872	0.6
95.01412	1.8
97.02949	0.7
107.01414	1.9
111.00889	0.8
113.02433	1.4
123.00876	4.8
124.01659	0.9
125.02444	12.5
133.03014	0.7
135.04529	0.6
145.02962	2.3
147.04446	1.1
151.00357	0.8
157.02962	0.9
159.04549	2.1
161.02461	1.9
163.04112	1.6
164.01118	0.7
169.01408	11.3
173.02489	3.0
175.04010	2.5
177.01921	1.8
185.02484	2.8
187.03931	0.9
189.01939	0.9
191.03488	2.5
193.01231	0.6
199.00214	0.7
201.01942	4.7
203.03484	8.4
213.01949	1.3
217.01440	1.3
219.03079	1.3
229.01421	8.9
230.02048	1.2
231.03027	7.8
245.00888	3.6
247.02460	1.6
249.04036	19.6
250.04535	0.9
257.00876	7.1
258.01617	2.8
273.00354	1.1
275.01978	30.2
276.02313	1.5
283.99622	3.6
294.76593	0.6
299.99081	4.0
300.99887	100.0
302.00287	5.9
313.05740	1.5
419.06033	3.5
463.05115	1.2
483.07748	5.5
503.13782	0.8
615.06152	2.7
628.15479	0.7
633.07355	2.6
708.81494	0.8
785.08380	29.5
786.08765	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.0
57.03429	1.9
59.01112	1.8
59.01378	27.3
61.98830	100.0
63.41220	1.1
66.04411	1.1
66.47624	1.2
68.49403	1.1
70.63022	1.1
71.01379	38.9
71.53062	1.8
72.99305	2.9
73.02945	10.4
73.69443	1.1
75.00863	3.6
78.95889	1.4
83.01388	6.8
84.02146	1.3
85.02943	20.8
87.00874	3.7
88.98814	2.9
89.02448	10.6
93.03467	1.6
95.01388	4.3
96.95994	3.6
99.00861	4.0
101.02447	29.0
111.00911	1.7
113.02438	16.0
116.92839	5.2
119.03460	2.3
119.04990	2.0
121.02965	1.6
125.02438	5.0
129.01912	1.4
133.01366	1.4
133.05031	2.5
135.03015	2.8
135.04581	2.2
137.02441	2.1
143.03357	1.3
145.02974	1.9
151.00414	1.4
159.02908	2.0
161.02423	3.3
161.04532	3.1
163.04030	1.9
165.01895	2.6
169.01410	4.0
191.03641	1.2
209.11842	2.7
257.00720	1.4
269.34882	1.2
269.76511	1.2
275.01981	3.1
289.07025	1.2
299.99072	1.6
300.99915	8.7
302.00262	1.6
603.39368	1.5
621.39929	5.5
622.40149	1.5
783.45410	94.3
784.45795	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	783.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.5
61.98828	61.5
62.95911	0.5
63.96230	0.7
69.37696	3.5
71.01382	6.0
72.94638	0.6
73.02943	2.5
78.95903	1.7
78.98587	2.7
79.95733	6.2
80.96514	33.2
81.03448	0.9
82.95429	0.7
83.05035	2.3
85.02956	2.4
87.00879	1.9
89.02459	1.6
94.46436	0.6
94.98090	7.4
95.05043	0.6
97.02978	0.8
98.20597	1.1
99.00835	0.7
100.71664	0.5
101.02451	4.7
106.98079	1.9
110.26079	0.6
113.02469	1.5
122.97587	2.0
125.02428	2.1
131.15057	0.5
134.97580	2.1
136.99168	0.8
145.05052	0.7
148.99133	3.3
152.98604	2.2
161.04590	0.7
163.11322	2.0
164.98627	5.9
165.12851	1.1
201.11235	0.6
206.99670	1.4
207.10483	0.6
209.11812	70.0
210.12126	4.7
225.00740	10.8
226.01007	0.7
227.12865	9.9
228.13049	0.8
235.08226	5.2
253.09277	7.2
255.23424	0.7
277.21701	100.0
278.22070	10.1
341.83118	0.5
483.15659	1.1
487.65433	0.7
513.30701	1.0
537.27808	0.8
739.39355	1.7
783.41943	49.4
784.42261	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	783.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.7
64.76850	1.1
69.03458	1.4
69.26669	10.9
71.01370	2.2
75.00829	1.7
85.02935	5.1
89.02384	1.1
93.03433	2.1
95.01374	3.3
99.94746	1.2
100.51417	1.1
107.01370	1.6
108.02151	2.2
109.02950	16.1
112.67368	1.1
114.88912	1.0
119.05043	2.1
123.00852	4.9
123.04479	3.3
124.01647	1.2
125.02426	7.5
128.91507	1.2
133.02921	1.9
134.03708	4.1
135.04486	3.3
136.01636	9.4
137.02437	1.7
139.00343	1.5
145.02946	4.7
146.03697	5.1
147.04532	1.4
148.01674	8.8
149.02393	3.2
149.06047	3.9
150.03169	3.6
151.00415	2.1
151.03992	16.4
152.04404	1.2
153.05579	9.7
159.04552	1.8
161.02446	6.8
161.06110	1.5
162.03059	1.9
163.00322	2.6
163.03998	26.6
164.01099	5.7
164.04700	5.1
164.98274	1.1
165.01891	4.0
165.05536	3.1
166.02704	15.0
166.99855	1.8
167.03400	2.5
169.01418	4.4
173.02414	2.8
174.03207	1.2
175.03949	2.8
177.01907	4.2
178.02704	4.9
179.03477	2.7
179.07144	13.5
181.05058	54.7
182.05289	2.3
185.02432	1.9
187.41837	1.3
189.01900	2.6
191.03496	4.9
191.05595	57.3
192.04436	1.4
192.05910	6.1
193.05008	20.0
195.04628	1.5
201.01920	2.8
203.03525	2.6
205.04982	1.5
207.06618	2.1
211.04330	1.1
211.06091	29.3
212.06328	1.5
217.01347	2.7
227.03430	1.4
229.01350	5.8
231.02902	3.8
245.00734	2.6
247.02499	2.9
254.05794	4.6
255.02887	3.8
255.06558	1.7
257.00793	4.4
259.02509	2.1
261.00336	2.2
269.08130	16.7
270.08997	2.9
270.98874	1.7
273.00348	3.1
274.01166	1.5
275.02026	7.0
283.02444	2.8
283.09769	3.5
284.02936	2.1
284.10464	3.9
285.00278	4.7
285.03302	1.5
285.11081	2.5
286.04300	2.2
298.08472	2.2
298.98239	4.0
299.98965	2.8
300.99890	39.6
302.00064	3.5
303.00140	1.2
313.10806	8.9
325.03326	1.9
325.10953	1.3
328.09570	3.3
331.06708	2.2
337.09314	14.2
338.09717	2.6
339.09497	1.7
343.11804	34.9
344.12234	3.2
373.12888	100.0
374.13388	9.6
425.01010	1.9
450.99387	20.1
451.99490	3.5
481.06409	1.6
490.10007	1.5
499.44122	1.6
517.17456	1.3
535.18042	3.2
577.19287	1.7
613.04749	4.8
614.04919	1.5
633.07153	2.3
765.06427	1.6
783.06610	17.8
783.19452	2.0
784.07166	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	783.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98156	1.3
65.00317	3.3
69.16210	1.6
69.16502	15.8
71.01369	2.3
84.29899	1.4
95.01376	5.3
98.20612	2.5
107.01424	1.5
111.00861	5.4
119.03468	1.5
123.00908	9.6
125.02437	11.2
129.03450	3.0
133.02968	3.1
135.00848	2.0
135.04478	4.0
137.02419	1.9
139.00372	7.1
145.02928	6.0
147.04507	2.8
151.00369	3.3
157.02951	2.2
159.00839	1.4
159.04546	2.7
161.02423	8.2
163.00346	4.5
163.04010	5.0
164.98337	11.0
165.01891	1.6
166.99915	3.5
167.57986	1.4
169.01447	9.2
169.92004	1.5
171.00908	1.7
172.01573	2.3
173.02281	2.9
175.03928	2.1
177.01941	4.1
177.42581	1.4
178.99936	2.0
181.01445	2.0
185.02382	4.8
186.54272	1.3
187.00255	3.9
187.03961	4.9
189.01875	7.8
190.02826	1.7
191.03465	11.3
191.05322	2.5
195.04395	1.8
197.02507	1.6
200.01149	3.0
201.02000	8.7
203.03404	6.6
204.03882	1.9
205.01303	2.8
206.99333	1.9
208.83824	1.4
213.01920	6.7
214.02756	2.6
214.99843	5.5
215.03488	5.6
216.00560	2.1
217.01479	7.5
221.00943	2.1
225.05559	2.0
226.99837	3.6
227.03465	2.7
228.00500	3.0
229.01425	10.9
230.02196	2.7
231.03004	10.7
235.02536	2.8
241.01364	3.3
242.99379	1.7
245.00853	3.4
247.02432	5.7
251.03598	1.8
254.99249	2.9
255.02963	2.9
257.00897	10.7
258.01654	2.3
259.02390	8.3
259.87814	1.5
261.00351	12.9
267.02838	2.7
269.04364	1.5
270.98718	3.1
273.00296	5.0
275.01920	4.0
279.02948	3.8
281.04333	2.2
282.98758	6.2
283.99585	8.0
284.02457	1.6
285.00406	30.0
286.00723	2.1
286.98349	2.8
295.02502	4.4
297.04178	2.0
298.98267	4.9
299.01718	1.8
299.98972	4.0
300.96738	1.9
300.99939	24.3
307.02402	4.6
309.03787	1.8
310.98602	6.8
311.01703	2.1
323.01767	7.2
325.03467	3.4
335.01849	5.2
339.01471	3.5
351.01480	8.7
352.02060	1.8
367.00912	2.8
379.00784	5.3
381.02353	2.9
399.03772	1.8
401.05551	2.5
404.98901	2.4
405.04330	3.2
407.00308	6.4
415.98630	1.6
425.01114	1.8
429.04587	1.8
432.98325	2.9
434.99850	2.4
445.04202	3.7
450.99402	100.0
451.99738	7.9
558.87805	1.5
575.06329	2.4
601.04865	2.5
613.04639	10.3
615.06067	1.9
631.05756	4.7
765.05756	5.2
783.06769	88.7
784.07074	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	783.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21450	0.5
59.32917	0.5
64.86161	0.6
66.81829	0.4
69.24494	3.6
95.01424	0.6
98.19838	1.0
117.03459	0.9
123.00903	2.1
125.02472	1.8
129.03455	0.8
133.02969	1.0
135.04565	0.7
135.26875	0.5
145.02934	2.8
147.04530	2.0
157.02945	2.1
159.04494	0.8
161.02496	1.2
163.04036	1.3
173.02403	2.8
174.03296	0.7
175.03984	2.6
177.01898	1.4
185.02432	4.0
187.04024	1.1
189.01930	1.1
190.02753	0.8
191.03497	2.4
201.01938	6.6
202.02542	0.7
203.03500	7.3
205.01425	0.5
213.01945	1.5
216.40135	0.5
217.01373	1.2
219.03000	1.2
226.99876	0.8
229.01419	15.0
230.01851	1.2
231.02969	4.4
245.00993	2.7
247.02502	1.9
249.04048	5.1
257.00937	9.9
258.01654	4.0
259.02191	0.5
273.00406	1.2
274.01135	1.1
275.01971	36.2
276.02228	2.2
283.99582	3.9
285.00253	0.6
299.99142	2.7
300.99890	100.0
302.00256	7.4
319.00977	0.6
450.99121	0.7
463.04697	0.7
481.06183	7.2
482.06821	0.7
628.28113	0.6
699.30707	0.6
783.06830	26.7
783.82941	0.7
784.07019	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	782.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98521	0.2
63.96251	0.1
71.01370	0.3
76.16241	0.1
76.90826	0.1
78.95900	0.8
78.98601	0.3
79.95748	0.7
80.96515	4.3
82.96109	0.2
85.02940	0.2
87.00880	0.1
94.98101	0.6
96.96966	0.2
105.02673	0.1
105.70558	0.2
106.98101	0.2
125.02483	0.3
134.97581	0.3
148.99124	0.2
152.98541	0.2
152.99631	0.2
156.35260	0.1
164.98599	0.8
185.66939	0.1
202.39716	0.1
209.11845	0.5
210.12154	0.2
223.13326	0.3
224.13773	0.2
225.00716	0.9
226.00914	0.2
241.01143	0.3
255.23224	0.4
256.23764	0.2
277.21686	0.5
278.22101	0.2
574.92627	0.1
753.37604	0.1
764.39642	0.6
765.39917	0.3
782.40967	4.8
783.41217	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	783.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95184	1.3
70.08802	0.5
94.02274	0.5
117.03505	0.5
119.05018	1.1
123.00865	1.8
125.02419	1.2
129.03468	0.9
133.02930	0.8
133.35402	0.5
137.81026	0.5
145.02975	3.0
147.04526	1.8
157.02884	1.6
159.04541	1.2
161.02478	1.0
163.03986	1.7
164.04384	0.5
173.02405	3.5
175.04013	2.7
177.01880	1.2
185.02428	4.7
187.04109	0.6
189.01912	0.8
190.02646	0.6
191.03453	1.8
201.01923	6.5
203.03474	5.0
205.01537	0.6
213.01907	1.5
214.02698	0.6
215.84930	0.4
217.01328	1.4
219.02881	1.2
219.47328	0.5
221.04681	0.5
226.99733	0.8
228.00589	0.6
229.01411	12.3
230.01842	1.2
231.02933	3.9
245.00893	2.4
247.02376	1.2
249.03999	3.5
254.99417	0.5
257.00879	10.1
258.01611	2.8
273.00443	1.4
274.01266	0.8
275.01962	32.7
276.02307	2.5
283.99591	3.9
299.99014	3.5
300.99878	100.0
302.00153	7.7
349.74600	0.5
450.99197	0.7
481.06067	7.6
482.06409	1.3
783.06818	30.1
784.07355	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	783.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96118	1.4
69.96511	1.0
76.83813	0.5
93.03472	3.3
95.01387	1.1
117.03489	0.9
119.05027	1.3
123.00902	2.1
125.02426	2.3
131.05051	0.8
133.02956	1.1
137.02446	9.3
145.02966	2.6
147.04558	2.4
157.02937	1.4
159.04518	1.9
161.02466	1.2
163.04015	1.8
171.00714	0.6
173.02457	3.0
175.03949	3.9
177.01926	1.5
185.02417	2.8
187.04076	1.5
189.01915	0.8
190.02675	0.8
191.03490	2.8
191.05470	0.6
201.01955	6.9
201.30380	0.6
203.03499	8.4
205.01483	0.6
213.01909	1.6
214.02776	0.9
217.01399	1.8
219.02977	1.5
221.04558	0.5
226.99818	1.1
229.01427	13.6
230.01819	0.9
231.02933	7.0
245.00854	3.2
247.02441	1.7
249.04013	7.0
257.00925	10.8
258.01617	5.1
273.00363	1.4
274.01093	1.1
275.01956	38.4
276.02261	2.4
283.99585	3.7
299.07687	1.7
299.99072	4.1
300.99881	100.0
302.00195	6.2
319.00943	0.8
450.99362	1.8
463.04843	0.7
481.06091	7.4
482.06219	0.6
595.01501	0.7
783.06824	27.6
784.07269	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	781.4408
Annotation	lugdunin
Peak:m/z	Relative Intensity
59.01374	1.3
61.98824	1.3
63.96240	1.9
69.03447	0.9
70.33041	0.6
71.01379	10.9
71.15166	0.6
71.15488	0.6
73.02947	1.9
77.11518	0.6
78.95914	1.7
78.98587	7.5
79.95735	16.0
80.96517	91.4
85.02956	3.3
85.39601	0.6
87.00888	3.4
87.30026	0.5
91.97301	0.5
94.98089	19.9
96.96030	1.5
97.02946	2.2
99.00873	1.0
99.92598	2.3
101.02473	2.9
101.30622	0.6
101.92312	0.6
106.98077	3.3
115.71083	0.6
120.19596	0.6
122.97603	4.9
125.02452	3.6
127.03977	1.3
134.97589	6.9
136.99150	1.5
139.19078	0.6
146.97601	0.7
148.99147	7.1
152.98628	7.7
164.97318	1.1
164.98637	14.8
165.00015	0.8
167.00151	0.9
206.99675	2.4
211.13376	2.0
225.00739	20.7
255.23222	2.2
277.21832	0.7
283.26382	1.8
284.27026	0.6
525.19897	3.0
537.27655	1.5
763.39941	0.7
781.43945	100.0
782.44226	17.2
788.41632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75522	15.8
61.98835	100.0
62.38329	15.3
70.64662	59.5
147.08759	16.8
154.53145	16.9
214.70808	17.2
234.63719	18.3
255.23265	24.3
278.96646	20.0
337.11578	18.9
607.94995	17.3
781.51013	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98843	1.4
62.44735	0.6
63.96239	0.7
69.50609	1.1
69.51015	3.0
71.01391	0.9
72.84308	0.6
78.95903	56.9
78.98558	0.8
79.27765	0.6
79.95724	2.8
80.02665	1.2
80.96518	12.3
81.03439	2.1
83.05035	5.6
84.02161	1.5
85.02979	0.7
94.98106	3.4
95.05035	1.0
96.96958	13.8
101.02431	0.6
102.75957	0.6
104.47369	0.6
113.59834	0.6
125.06041	0.7
135.08057	0.7
148.99109	1.3
152.99599	11.1
163.11287	4.8
164.98578	2.5
165.12895	3.3
165.13991	0.6
174.80598	0.6
181.12361	0.7
191.10753	1.6
209.11821	54.3
210.12117	2.8
223.00122	3.9
225.00722	4.4
227.12857	4.2
241.01181	28.6
242.01573	1.0
255.23279	32.7
256.23676	2.3
259.02176	2.2
297.03903	0.7
315.04700	1.0
363.12259	2.6
391.22488	2.5
505.91840	0.7
525.17657	1.5
553.27460	1.5
682.50366	0.7
763.39526	2.0
781.41278	100.0
782.41583	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	781.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37180	0.5
59.01379	13.1
61.98809	1.1
69.62244	0.5
71.01373	4.2
71.11226	0.4
73.02965	0.5
75.00869	0.6
78.95902	3.9
78.98591	0.7
79.95743	1.3
80.96512	5.9
83.01376	0.9
85.02940	1.4
87.00867	1.7
89.02457	1.4
94.98099	1.4
96.96931	0.6
97.02949	3.6
97.06585	0.6
99.00886	6.1
101.02451	2.7
106.32792	0.4
109.02937	0.6
109.06601	1.3
110.03677	0.8
113.02448	1.2
115.06953	0.5
125.02435	1.0
125.09734	1.9
134.97632	0.5
135.08035	0.6
136.05312	0.8
142.02725	1.7
148.99025	0.7
152.99605	1.0
161.04527	1.0
163.11299	4.1
164.98570	1.3
181.12341	7.7
199.13498	0.6
207.10255	26.6
208.10583	0.6
209.11758	2.9
225.00757	1.9
225.11313	55.1
226.11684	3.0
233.22681	0.7
235.08179	2.7
241.01233	1.2
243.12375	6.3
253.09286	3.5
255.23291	1.6
275.20114	0.6
277.21710	100.0
277.76181	0.5
278.22021	8.1
285.43387	0.6
405.17737	0.7
443.19131	4.7
461.20181	5.8
462.20126	0.7
512.21289	0.5
513.30280	0.6
577.37561	0.7
721.41687	19.8
722.41998	4.5
781.40875	12.4
782.40686	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	781.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.0
59.01387	1.1
61.98818	4.6
61.99828	0.9
63.93506	1.0
63.96241	1.9
71.01382	8.8
71.27901	1.4
78.91940	1.2
78.95907	24.7
78.98559	5.3
79.95736	20.3
80.96516	79.6
81.03443	1.5
83.05025	1.4
85.02932	1.5
87.00862	2.9
94.98090	15.3
96.95972	1.7
96.96963	5.4
97.02952	2.3
101.02436	3.4
106.98071	3.8
114.31207	0.9
122.97585	3.6
125.02409	3.1
134.97574	7.1
136.99126	1.4
148.99136	7.4
152.98471	4.9
152.99725	5.1
163.11250	2.0
164.98625	14.4
206.99615	3.2
207.10213	1.2
209.11841	17.2
210.11943	1.3
223.00182	1.1
225.00735	24.1
227.12885	3.2
241.01199	10.8
255.23257	15.8
277.21716	11.9
525.16962	1.7
537.27032	1.4
763.39642	16.6
764.39954	2.3
781.40729	100.0
782.40985	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	781.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48423	0.8
58.24067	0.9
59.01368	1.8
61.98829	100.0
63.96219	1.1
70.46822	1.0
70.47179	2.6
71.01391	6.4
72.87149	0.9
72.99314	1.4
73.02932	1.8
78.95900	14.0
78.98592	5.7
79.95737	11.6
80.96515	65.0
81.03438	1.1
82.38375	0.9
83.01381	1.5
85.02950	2.6
87.00867	2.2
94.98088	14.4
96.96022	1.1
96.96942	2.7
99.00902	0.8
101.02438	2.5
106.86140	0.8
106.98069	3.3
122.97567	2.8
125.02403	3.4
134.97571	3.3
136.65012	0.8
136.99107	1.9
148.99173	4.2
152.98546	4.8
152.99625	2.8
163.11250	1.4
164.98604	11.3
199.13362	1.0
206.99669	3.2
209.11806	11.1
223.00116	1.5
223.13313	2.7
224.13698	1.7
225.00743	18.3
227.12872	2.7
241.01202	5.2
255.23332	6.6
256.54117	0.9
277.21661	3.1
278.22040	2.9
279.22290	1.2
292.73578	0.9
345.30942	0.8
390.79199	1.0
407.50204	0.8
464.91354	1.0
525.16602	1.8
537.27094	1.6
555.85834	0.9
737.38464	1.0
763.39581	10.7
764.39960	2.5
781.40613	84.4
782.40802	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	781.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.0
58.99197	1.1
59.01364	3.2
61.98818	4.8
71.01369	2.6
71.53867	1.2
71.91264	1.0
76.77240	0.9
78.95872	1.1
79.95721	1.2
85.03008	1.1
86.19613	0.9
88.98802	1.4
93.03452	3.4
94.96162	1.0
95.01390	1.5
96.95378	1.6
96.96012	25.6
96.96966	1.3
97.02890	1.2
97.36875	1.0
98.04832	0.9
98.95584	2.2
99.45818	1.0
101.02441	1.9
108.02191	1.5
109.02885	1.3
111.00855	1.7
116.92867	5.1
119.05035	1.7
121.02936	7.2
122.03757	15.9
123.00896	1.5
123.04459	1.6
125.02398	2.9
132.02150	2.0
133.02934	3.6
134.03680	1.3
135.03009	1.1
135.04486	2.9
135.28670	1.3
136.01663	1.3
137.02425	3.6
145.02969	1.6
147.04480	2.3
149.02437	37.8
150.03226	100.0
151.03700	4.3
160.01657	4.4
161.02399	6.3
163.04007	2.5
164.04796	9.3
165.01889	4.1
165.05566	93.7
166.06006	4.3
169.01381	2.9
175.03987	5.1
177.05533	1.7
179.03477	4.2
179.07074	1.8
180.04370	8.6
193.05070	1.2
195.06619	69.0
196.06897	3.2
199.51126	1.0
209.11830	1.5
225.07594	2.9
229.05067	1.3
238.06349	1.3
242.09343	2.9
251.07173	1.5
255.06563	1.9
257.11673	2.0
258.09058	1.5
259.06107	1.1
267.06390	2.2
269.08112	4.2
270.06165	1.3
270.08975	9.7
271.09454	1.9
282.08878	2.2
283.06317	1.4
283.09726	2.9
284.06747	3.1
285.07626	4.3
285.11224	10.4
286.08337	3.4
295.09766	2.1
297.07602	2.4
298.08441	8.5
299.09161	10.6
300.99667	1.4
301.10736	3.6
310.08447	3.4
311.09155	5.9
313.07104	2.8
313.10709	8.9
314.07870	9.6
314.11417	2.6
323.09201	2.0
324.09888	2.6
325.10657	4.5
326.07895	3.6
326.11490	4.1
327.12079	2.2
328.09561	7.3
328.12915	2.3
329.10324	27.4
329.13870	3.9
330.10724	3.7
340.13239	2.5
341.10278	33.7
341.13898	3.0
342.10840	2.8
343.11871	42.1
344.12592	53.1
345.13168	8.5
355.11624	1.2
356.12631	16.0
357.13367	5.4
358.14047	7.0
359.14978	97.3
360.15436	9.0
371.14981	65.6
372.15378	6.8
373.12933	2.4
391.14148	6.5
421.15494	1.5
507.20160	1.6
537.21320	21.6
538.21588	2.9
585.23401	9.3
703.27655	3.3
733.28534	13.1
734.29358	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	781.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.0
58.99197	1.1
59.01364	3.2
61.98818	4.8
71.01369	2.6
71.53867	1.2
71.91264	1.0
76.77240	0.9
78.95872	1.1
79.95721	1.2
85.03008	1.1
86.19613	0.9
88.98802	1.4
93.03452	3.4
94.96162	1.0
95.01390	1.5
96.95378	1.6
96.96012	25.6
96.96966	1.3
97.02890	1.2
97.36875	1.0
98.04832	0.9
98.95584	2.2
99.45818	1.0
101.02441	1.9
108.02191	1.5
109.02885	1.3
111.00855	1.7
116.92867	5.1
119.05035	1.7
121.02936	7.2
122.03757	15.9
123.00896	1.5
123.04459	1.6
125.02398	2.9
132.02150	2.0
133.02934	3.6
134.03680	1.3
135.03009	1.1
135.04486	2.9
135.28670	1.3
136.01663	1.3
137.02425	3.6
145.02969	1.6
147.04480	2.3
149.02437	37.8
150.03226	100.0
151.03700	4.3
160.01657	4.4
161.02399	6.3
163.04007	2.5
164.04796	9.3
165.01889	4.1
165.05566	93.7
166.06006	4.3
169.01381	2.9
175.03987	5.1
177.05533	1.7
179.03477	4.2
179.07074	1.8
180.04370	8.6
193.05070	1.2
195.06619	69.0
196.06897	3.2
199.51126	1.0
209.11830	1.5
225.07594	2.9
229.05067	1.3
238.06349	1.3
242.09343	2.9
251.07173	1.5
255.06563	1.9
257.11673	2.0
258.09058	1.5
259.06107	1.1
267.06390	2.2
269.08112	4.2
270.06165	1.3
270.08975	9.7
271.09454	1.9
282.08878	2.2
283.06317	1.4
283.09726	2.9
284.06747	3.1
285.07626	4.3
285.11224	10.4
286.08337	3.4
295.09766	2.1
297.07602	2.4
298.08441	8.5
299.09161	10.6
300.99667	1.4
301.10736	3.6
310.08447	3.4
311.09155	5.9
313.07104	2.8
313.10709	8.9
314.07870	9.6
314.11417	2.6
323.09201	2.0
324.09888	2.6
325.10657	4.5
326.07895	3.6
326.11490	4.1
327.12079	2.2
328.09561	7.3
328.12915	2.3
329.10324	27.4
329.13870	3.9
330.10724	3.7
340.13239	2.5
341.10278	33.7
341.13898	3.0
342.10840	2.8
343.11871	42.1
344.12592	53.1
345.13168	8.5
355.11624	1.2
356.12631	16.0
357.13367	5.4
358.14047	7.0
359.14978	97.3
360.15436	9.0
371.14981	65.6
372.15378	6.8
373.12933	2.4
391.14148	6.5
421.15494	1.5
507.20160	1.6
537.21320	21.6
538.21588	2.9
585.23401	9.3
703.27655	3.3
733.28534	13.1
734.29358	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	781.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53306	0.5
58.49517	0.4
65.00339	1.1
65.54510	0.5
83.01409	0.5
85.50829	0.5
87.22589	0.5
93.03458	2.0
96.96030	0.9
107.01414	1.2
109.02946	0.8
113.58892	0.5
117.03482	1.2
121.03025	0.6
125.02429	0.7
128.02992	0.5
137.02483	0.6
143.05093	0.6
151.00360	3.9
155.05090	0.7
159.04517	1.5
161.02426	0.6
163.00380	1.1
163.04120	0.6
164.01088	0.5
165.01965	0.6
171.04524	0.6
173.06093	0.8
175.04037	0.5
177.01968	0.6
183.04482	4.0
185.06052	1.5
187.03995	1.4
189.01982	0.5
189.05586	0.8
191.05630	0.8
201.01994	0.5
211.04001	4.5
212.04404	0.7
213.05556	1.7
214.02525	0.7
215.03627	0.8
219.02901	0.6
225.05519	0.6
227.03487	34.4
228.03868	2.2
229.05142	0.9
239.03429	1.8
240.04482	0.9
241.05098	3.9
243.03015	0.8
253.04985	0.8
255.02975	84.2
256.03494	7.8
257.04410	1.0
267.03024	0.6
268.03723	1.1
269.04523	2.8
281.04483	2.0
283.02463	100.0
284.03189	43.1
284.06534	1.0
285.04013	65.4
286.04382	3.8
297.04089	7.7
298.04575	1.3
299.05664	1.0
300.99844	1.0
308.03448	0.7
326.04239	3.7
327.05060	9.7
328.05444	0.9
391.04333	0.7
446.08374	0.7
488.09531	12.1
489.10342	81.1
490.10706	10.4
497.70276	0.5
501.09933	1.0
503.11908	0.7
511.12485	1.1
531.11371	22.5
532.11481	2.8
545.57538	0.5
555.11340	0.8
641.81073	0.5
651.15314	2.6
693.16669	48.9
694.16968	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	779.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03419	0.6
57.21031	0.5
59.01380	19.0
61.98833	3.4
69.03444	2.1
70.92348	0.8
70.92669	0.6
71.01386	3.5
71.05013	0.6
73.02942	0.8
77.74181	0.5
78.95908	6.1
79.95724	0.9
80.96521	6.5
81.03487	0.7
83.05022	0.6
85.06599	1.0
87.00882	0.8
89.02425	1.8
94.98079	1.8
96.96943	1.3
99.55237	0.5
101.02438	3.2
102.32073	0.6
109.06581	1.3
113.02447	1.8
122.97620	0.6
125.02446	0.6
125.09682	0.6
148.99246	0.6
152.99556	1.4
161.04530	1.6
164.98601	1.2
167.10735	3.1
171.86890	0.5
172.84312	0.5
177.12823	0.8
179.05608	0.8
179.10762	1.1
179.14397	3.7
181.12366	0.7
195.13898	8.9
197.11928	0.6
205.12328	9.1
206.12473	0.6
207.10228	2.6
223.13391	100.0
224.13693	6.3
225.00761	2.3
225.11281	2.8
235.08218	1.6
241.01193	2.3
251.20123	0.7
253.09283	8.7
255.23329	3.6
277.21716	68.5
278.22064	6.0
404.63000	0.5
413.20923	0.7
426.70624	0.6
441.21146	1.8
442.21146	0.8
459.22372	14.4
460.22617	1.8
611.30035	0.6
719.43201	1.2
779.39307	13.9
780.39691	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	779.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.3
70.13446	0.6
70.13826	0.5
71.01382	0.4
71.05018	1.8
71.30479	0.4
97.48006	0.3
121.10240	0.8
150.33585	0.4
171.10275	3.0
275.20132	5.4
284.42026	0.4
293.21207	11.4
294.21603	1.5
369.28125	0.6
393.31732	1.1
403.30139	0.8
407.29584	0.5
423.32632	1.8
425.30557	0.8
437.30551	1.3
441.33908	0.5
467.31619	12.3
468.32053	1.6
481.29037	0.4
485.32703	100.0
486.33087	14.5
603.06879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39496	1.0
64.13659	1.0
69.54674	3.7
69.55095	2.9
93.03468	1.9
96.96013	4.3
103.44468	0.9
107.01396	1.2
109.02949	1.5
117.03480	2.5
121.02962	2.3
125.02477	1.7
133.02992	1.5
145.02982	1.8
151.00362	3.6
159.04448	1.1
161.02512	1.3
169.01466	1.6
169.06584	1.3
171.04530	1.3
173.02394	2.1
183.04517	4.6
185.05975	1.5
189.01959	1.6
191.05565	1.4
200.69864	1.1
201.01988	2.1
211.04033	3.1
213.05585	2.0
215.03424	1.6
217.01434	2.6
225.05708	1.3
225.11458	1.2
227.03490	32.4
229.05078	1.5
238.44511	1.0
239.03488	1.3
240.04092	1.2
241.05055	2.2
245.00923	1.7
255.02977	79.9
256.03577	8.7
257.04581	2.0
268.03851	1.6
269.04562	3.9
273.00452	2.0
275.02115	1.7
281.04596	1.3
283.02475	100.0
284.03198	42.9
285.04041	68.6
286.04361	6.5
291.01361	1.6
297.04050	8.2
298.98285	2.3
300.99878	8.3
305.07022	5.5
326.04282	4.8
327.05035	8.5
391.04761	1.5
488.09573	13.2
489.10355	80.9
490.10770	8.0
531.11493	23.5
532.11670	4.5
601.09186	1.6
621.09161	1.1
651.15558	2.3
655.39056	1.1
693.16681	52.2
694.17194	8.9
731.12598	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.7
61.98840	2.9
62.19125	0.6
68.99584	2.0
69.37318	5.3
70.34956	0.5
71.01407	1.2
85.02942	3.8
89.02457	1.2
93.03448	4.8
95.01427	0.6
96.96018	1.2
99.00906	0.7
101.02484	1.2
107.05026	7.7
108.02204	1.3
109.02985	1.9
112.98572	1.9
117.03542	0.8
119.05045	1.5
121.02946	8.7
122.03735	14.9
123.00909	1.4
123.04529	2.0
124.01683	1.2
125.02432	1.8
126.90458	0.8
128.03548	3.3
128.90152	3.4
129.01936	8.7
133.02962	2.1
134.03763	3.5
135.04524	16.8
136.01665	16.6
137.02460	4.2
145.02936	1.2
146.03746	1.2
147.04506	1.3
149.02437	24.6
149.06073	2.1
150.03221	90.9
151.00409	4.2
151.04007	20.6
152.01137	0.7
152.04587	1.1
161.02432	0.9
162.03192	1.3
163.03960	0.7
164.04802	4.5
165.05559	100.0
166.02724	12.6
166.05870	4.8
167.03345	1.2
171.10262	3.5
171.61781	0.8
174.01633	1.3
174.03131	0.8
175.03999	2.8
177.01915	1.1
177.05632	1.1
179.07190	1.9
180.04266	6.4
181.05054	15.7
182.05354	1.1
189.05574	1.0
190.06255	0.7
191.03447	1.1
192.04288	0.7
195.06612	71.8
196.06920	2.0
205.05055	2.0
206.05807	1.6
209.11873	5.2
219.06667	1.2
221.08191	1.1
227.12871	1.0
269.08136	0.9
298.08670	1.0
313.10687	1.5
327.08508	1.0
328.09399	1.5
341.10080	0.9
342.11020	2.0
343.11810	17.2
344.12106	1.8
357.09586	4.3
357.13318	9.2
358.13858	1.3
369.13235	1.8
372.12097	3.6
373.12936	7.5
387.14481	32.2
388.14957	3.3
391.13794	2.7
397.13318	1.9
417.15430	1.8
488.60120	0.7
535.19861	4.1
536.20148	0.9
565.20508	2.8
583.21564	3.1
584.20337	0.7
620.41779	0.8
683.24945	4.1
713.25250	1.3
731.27264	4.3
732.27130	1.1
738.62274	0.9
751.28192	0.7
761.27661	0.9
779.28992	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	779.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
60.01860	0.9
63.02394	1.8
63.88383	0.8
65.00336	2.3
71.01382	2.9
71.28798	1.9
71.98747	0.8
72.63737	1.0
73.95091	0.8
79.35748	0.8
83.01393	1.9
85.02969	1.7
93.03480	1.2
96.96007	1.0
107.01393	7.1
107.02012	1.3
109.02950	2.8
113.02454	1.1
121.02944	5.8
137.02448	1.2
147.04597	1.2
148.95055	0.8
149.02457	1.6
151.00363	28.7
154.60085	0.9
161.02414	1.4
163.00374	3.7
163.03937	1.1
169.01358	1.1
173.02426	1.4
175.02472	1.1
178.99860	14.1
185.02432	2.9
191.03285	1.1
193.01443	1.4
201.01923	2.5
211.04025	2.0
229.01401	2.3
229.04965	1.5
245.00874	1.7
245.04524	3.1
248.02686	0.9
255.02945	4.1
257.00854	1.8
273.04065	2.2
283.02554	1.8
283.99612	2.0
299.99243	2.0
300.99881	65.3
301.03513	100.0
302.00253	4.2
302.03857	9.1
312.66586	1.1
436.51706	1.0
447.08643	1.0
477.06726	66.3
478.07001	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	779.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68866	0.8
59.01382	4.8
61.98829	8.4
67.01874	0.8
67.68845	0.8
68.44796	0.8
68.99562	2.4
71.01383	4.1
75.00862	1.8
75.66094	0.8
78.95901	1.1
83.05004	0.8
85.02948	2.6
88.90467	0.8
88.98793	2.7
89.02432	2.7
93.03456	4.7
95.01348	1.2
96.96003	6.0
98.19781	1.6
99.00900	0.8
101.02426	3.2
103.01317	0.8
103.31887	0.8
107.05037	4.9
108.02168	1.8
109.02930	2.7
110.25740	0.8
112.98576	2.6
113.02425	1.6
116.92837	1.8
119.05009	1.7
121.02959	7.6
122.03736	14.9
123.00880	2.0
123.04524	2.3
124.01612	0.9
125.02509	1.6
125.09751	0.8
128.03523	1.9
128.90169	2.5
129.01947	6.3
133.02943	2.6
134.03748	4.2
135.04527	15.5
136.00720	1.4
136.01666	12.2
137.02477	4.9
145.02965	1.7
149.02429	21.0
149.06003	2.1
150.03223	90.5
151.00369	3.9
151.04025	14.5
152.01144	1.1
161.02412	2.6
162.03291	0.8
163.03917	1.3
164.04819	5.0
164.12210	0.7
165.01886	2.2
165.05563	100.0
166.02699	10.7
166.05847	4.7
167.03438	0.9
169.01364	1.4
171.10243	9.7
174.01701	1.2
175.03940	1.9
177.01979	1.3
177.05522	1.2
178.02695	0.9
179.03442	2.3
179.07036	2.0
180.04286	6.8
181.05055	12.9
182.05484	1.5
189.05513	0.9
191.03490	0.8
193.05029	1.3
195.06619	71.8
196.06949	3.6
201.11340	0.9
205.05005	1.1
209.08582	1.0
209.11818	17.6
221.08154	1.2
227.12927	4.0
300.99936	1.4
313.10815	1.1
327.08615	1.1
342.10965	1.7
343.11865	11.8
357.09650	3.3
357.13437	8.2
372.12119	2.6
373.12799	6.1
387.14462	26.6
388.14774	2.5
391.13989	2.0
397.13660	7.3
403.14481	1.1
415.14502	2.0
417.15384	0.9
535.19659	5.4
565.20898	2.6
583.21710	2.3
683.24640	3.3
713.26630	1.2
731.26990	2.8
779.28326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	68.2
69.93202	100.0
75.75138	21.1
78.95901	51.8
82.86904	20.8
92.75262	18.0
94.80053	18.0
152.99602	34.0
163.80133	20.0
193.25870	19.7
209.11815	46.7
211.13367	45.5
268.33453	22.7
277.21744	38.3
657.15753	20.6
792.67096	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.6
59.81525	1.6
61.98826	12.7
66.98950	1.8
71.00588	3.0
73.85857	1.9
78.95902	47.2
78.98580	2.0
79.95763	2.8
80.96503	6.8
83.05039	2.0
96.96966	3.1
98.20447	2.3
111.08178	2.8
122.97590	3.2
129.09142	2.3
152.98378	3.8
152.99588	56.4
153.99864	2.3
169.12395	2.4
171.00659	5.4
171.10268	4.5
197.11852	13.5
199.13452	2.2
201.75336	1.7
211.13374	8.3
227.03389	5.6
253.21748	21.5
255.23294	49.9
256.23538	4.1
281.24835	6.4
287.21982	2.8
291.19424	2.4
293.21219	10.8
309.20700	7.8
311.22293	25.1
409.65790	2.2
445.20114	3.4
447.21356	3.2
493.20691	2.1
519.24243	2.1
521.24799	4.5
538.24799	2.9
539.26239	75.9
540.26630	7.7
544.17603	2.3
775.47668	100.0
776.48553	14.4
786.09192	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	775.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.25403	0.4
148.96809	0.1
207.23804	0.1
552.92377	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	775.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77767	0.1
59.92193	0.1
61.82876	0.1
61.98831	100.0
70.25150	0.4
70.25537	0.2
102.95175	0.1
135.70804	0.1
192.24429	0.1
205.73076	0.1
207.05504	0.1
207.73169	0.1
280.65973	0.1
497.51389	0.1
552.89642	0.1
599.59393	0.1
609.99731	0.1
645.37024	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	777.42
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74981	2.8
61.98826	13.7
69.45042	20.2
71.01402	3.2
75.07906	2.9
78.95916	4.7
84.99723	3.2
91.44288	3.2
92.03909	2.9
125.02406	4.5
201.11298	41.0
209.11832	65.7
210.12233	4.4
227.12933	15.7
233.28062	3.6
235.08195	13.7
241.19843	4.0
253.09259	13.8
277.21716	100.0
278.22095	9.2
310.89920	3.6
445.20926	5.9
480.18396	3.4
513.30792	5.2
634.01495	3.3
777.41986	18.9
778.43414	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	775.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.1
61.98827	24.4
65.84791	2.6
69.61454	2.5
70.75883	7.7
71.01365	5.2
78.95928	6.3
80.96507	5.7
89.02428	3.8
93.60133	2.7
101.02425	2.9
109.06570	9.3
125.02405	2.7
145.04971	3.2
152.99539	5.2
155.10776	3.9
163.11249	5.1
164.39481	2.7
171.10210	17.5
181.08730	4.0
199.09749	31.1
201.11293	4.7
207.10251	49.5
209.11795	3.1
225.11293	32.5
235.08122	4.1
253.09293	13.6
277.21713	100.0
278.22046	8.6
301.20450	2.7
301.76941	2.5
417.17709	3.6
435.18454	8.9
443.19006	8.1
461.20370	13.2
513.30457	4.8
537.18091	2.8
695.40076	55.9
696.39874	9.1
721.41730	29.3
722.41718	8.1
775.40240	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	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.6
61.98829	27.6
68.84769	1.4
71.00907	4.7
71.01357	2.4
78.95899	3.8
92.42475	1.5
101.02451	3.5
109.06575	4.4
127.16473	1.8
149.76460	1.7
163.11281	3.5
171.10225	13.8
181.08707	3.1
189.09204	1.9
199.09769	17.3
207.10246	24.6
212.25935	1.7
225.11305	41.4
235.08150	9.5
253.09300	13.3
277.21692	100.0
278.22061	8.1
341.93210	1.9
407.18909	2.1
417.17706	2.8
443.19302	8.4
461.20383	10.9
513.30621	4.7
695.39941	33.7
696.40326	6.6
721.41534	37.2
722.41895	5.8
766.40942	1.8
775.40259	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	775.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.2
60.10997	1.7
61.98829	11.3
69.22017	13.2
71.01368	3.9
78.95898	10.8
83.05052	2.4
91.65534	1.6
96.96017	2.9
101.02425	2.4
106.88129	1.8
114.07121	1.7
123.00861	2.1
125.02486	2.5
144.41951	1.8
152.99556	3.3
168.70241	1.8
169.01436	3.8
209.11824	100.0
210.12134	7.1
218.30241	1.8
227.12886	23.4
235.08189	6.6
253.09274	15.5
275.20172	5.2
276.20508	2.1
293.21219	54.8
294.21494	5.2
300.99860	3.1
445.20828	8.4
529.30243	2.9
653.49786	1.9
775.40527	30.1
776.40503	6.6
791.34497	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	773.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.25938	0.6
57.03424	0.9
59.01376	4.8
61.98828	8.1
69.03452	1.1
71.01384	4.3
73.02933	1.4
78.95898	1.4
80.02692	1.5
81.03482	0.8
83.01377	1.5
83.05013	4.7
84.02172	0.7
85.02956	5.3
87.00861	1.3
88.98807	0.8
89.02444	2.8
93.03417	0.6
95.05010	1.1
96.96011	2.7
97.02950	1.1
97.06579	1.4
99.00897	0.5
101.02440	4.5
109.02958	0.6
111.00909	0.5
113.02441	2.4
116.92834	3.8
117.02006	0.7
119.03531	1.1
125.02456	1.3
125.06067	0.9
125.09724	0.6
127.11236	1.0
129.97849	0.6
135.03009	0.5
135.08104	0.8
137.02524	0.7
137.09723	1.3
143.03471	0.7
145.05035	0.7
155.10797	0.9
161.04544	2.1
163.11299	3.2
165.12814	2.1
166.75145	0.5
169.01428	1.1
171.10262	16.1
175.19405	0.5
176.61438	0.5
179.05693	0.8
183.13873	1.9
191.10800	1.4
201.11261	0.7
209.11818	100.0
210.12180	6.1
211.13405	7.7
212.13678	0.6
221.11826	0.9
227.12883	13.3
229.14400	4.6
235.08232	7.1
239.12781	0.8
253.06645	1.0
253.09282	17.1
254.09702	1.3
291.19739	2.6
299.02051	1.4
309.20694	8.1
327.21756	58.1
328.22046	5.6
384.34665	0.6
445.20828	1.9
447.49106	0.6
519.33356	1.1
545.29724	1.0
563.30511	2.9
563.50189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	28.6
69.34387	1.8
70.02168	7.6
78.95907	61.4
80.96504	2.3
96.95996	3.8
96.96945	6.9
98.20599	2.4
99.98406	2.0
105.06910	2.1
111.08131	6.4
121.88419	2.0
125.15015	2.2
152.99588	68.4
169.12317	4.0
171.00609	5.8
171.10237	2.9
185.11867	2.1
197.11827	32.3
211.13370	9.0
227.03322	6.3
253.21706	25.4
254.22058	3.0
255.23204	5.0
255.40953	2.3
279.23215	4.8
281.24634	3.5
291.19666	11.5
309.20731	14.0
387.91870	2.5
445.19833	5.2
519.23468	6.3
537.24701	100.0
538.24957	10.2
540.59656	2.0
773.46014	65.1
774.46771	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	773.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
60.05774	1.2
61.98811	4.0
63.84220	1.6
78.95901	52.8
80.96516	1.6
96.96941	5.9
97.02898	2.2
97.06610	1.6
108.28049	1.7
111.08118	2.0
118.04487	1.5
125.09745	2.4
137.09697	2.4
152.99583	53.6
154.00043	1.5
171.00629	6.4
171.10268	10.0
185.11769	3.4
195.13921	2.1
197.11845	10.7
209.11780	2.4
211.13399	14.8
227.03247	4.9
253.21692	25.0
254.21915	2.8
255.23257	9.3
279.23242	8.3
279.69943	1.5
280.23608	2.4
281.24796	4.4
289.18118	3.0
291.19705	19.8
292.19757	2.0
309.20724	16.5
329.23288	2.2
436.26746	1.5
445.19516	4.7
519.23462	5.3
537.24658	100.0
538.24921	11.5
596.90393	1.7
649.80566	1.6
773.46173	84.7
774.46667	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	769.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03122	0.8
58.67210	0.7
58.75517	0.7
59.01375	5.7
61.98833	2.3
62.65842	0.8
62.75262	0.8
70.81991	1.1
70.82327	1.7
71.01370	5.9
73.02958	0.8
78.95895	1.1
80.96525	2.0
83.05022	2.9
85.02935	1.8
87.00896	1.6
89.02440	1.5
101.02429	2.8
113.02443	1.2
132.77612	0.8
135.08130	1.2
140.86845	0.8
161.04546	1.6
163.11292	2.2
165.12796	0.9
169.12360	2.5
197.11855	6.0
209.11824	57.4
210.12202	3.1
227.12907	8.2
235.08237	5.3
253.09274	8.5
277.21722	100.0
278.22009	8.5
483.65186	1.0
640.73950	1.1
710.69287	0.9
723.19940	1.0
737.41101	16.0
738.41370	2.9
769.43243	9.6
770.42615	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	770.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.52631	0.2
72.73176	0.2
80.96540	0.3
98.19839	0.4
168.64003	0.2
172.41666	0.2
211.13503	0.2
212.13757	0.2
277.21759	0.4
278.22122	0.4
417.47708	0.2
430.06656	0.2
771.40118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16112	2.0
58.33236	1.8
59.01357	3.9
60.32918	1.5
69.33189	8.3
69.33602	4.9
71.01363	6.3
78.95890	7.7
83.01350	2.3
83.05032	3.5
93.03458	12.6
95.01383	2.9
96.96958	14.1
98.19857	3.1
101.02451	2.8
107.01378	6.0
108.02158	4.9
109.02922	5.0
109.96334	2.0
111.00856	4.6
111.04533	15.4
113.02460	2.3
123.00880	18.8
125.02450	28.0
132.79851	1.8
135.04491	4.2
137.02408	4.9
139.00375	4.3
141.01933	3.5
150.13809	2.2
151.00371	12.1
152.01140	5.3
153.01845	2.7
155.03485	9.2
165.01935	1.8
169.00012	3.1
169.01422	52.3
173.04533	3.8
179.03296	2.9
191.05611	3.7
197.04462	2.8
211.02466	9.0
285.06989	5.6
313.05829	3.1
331.06543	15.9
413.32593	2.2
415.24762	2.1
420.83630	2.3
447.11487	3.5
451.08621	2.3
460.91711	1.9
469.09897	27.0
470.10416	2.9
487.10901	100.0
488.11246	9.0
498.52954	2.1
587.22412	2.3
736.11072	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	773.328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	4.0
71.01361	0.3
71.53569	0.2
72.84998	0.2
78.95904	11.9
79.95737	3.8
84.89040	0.2
94.67212	0.2
94.98095	0.6
96.96013	100.0
96.96927	14.9
97.95940	0.5
170.90140	0.2
171.10234	0.2
277.21744	0.3
375.18933	0.2
397.13275	0.2
773.42761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63996	0.3
57.43966	0.2
58.96457	0.2
61.98827	2.3
78.95903	10.6
79.95729	3.7
94.98087	0.5
96.96011	100.0
96.96922	12.2
97.95947	0.4
107.37009	0.2
125.02424	0.5
127.30049	0.2
152.99657	0.2
169.01457	0.3
209.11803	0.7
281.99768	0.2
374.49261	0.2
397.13379	0.3
453.09796	0.3
482.15671	0.2
529.87744	0.2
773.42175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.4
61.98829	47.0
66.20015	3.1
70.39139	9.9
71.01388	3.5
79.45411	2.9
87.00860	3.1
87.24757	3.4
93.03468	4.3
96.96010	15.4
101.02414	5.3
109.57224	3.1
116.92881	5.5
125.02404	5.9
169.01317	3.9
171.10220	3.4
209.11816	100.0
227.12878	19.9
246.07950	3.5
253.09254	6.5
263.47507	3.9
300.99731	4.9
301.03470	5.0
327.21564	8.0
338.37015	3.5
445.20764	9.6
455.39374	3.6
463.21631	4.4
538.32233	4.0
627.21063	4.6
637.32239	7.0
724.52020	3.8
773.24524	4.6
773.38043	22.9
789.75793	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	769.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.1
61.98829	22.6
69.03442	7.2
71.01372	7.9
71.95175	1.8
76.60550	1.8
83.01422	1.7
83.05010	2.1
85.02953	2.9
89.02453	3.8
95.01421	1.8
97.02920	2.1
97.22962	1.8
101.02425	5.7
111.08155	3.9
113.02434	3.4
118.42636	1.6
125.02460	1.7
125.09685	2.3
133.34364	1.6
151.11241	4.0
161.09641	2.2
169.01335	3.9
169.12259	2.0
171.10233	3.6
179.10759	6.8
197.11827	67.3
198.12204	2.3
209.11778	6.4
211.13414	2.0
225.11386	1.7
227.12715	2.6
241.10870	3.7
285.45599	1.6
291.19614	4.2
300.99820	4.2
309.20624	6.2
390.52567	2.4
391.02859	2.2
477.19803	2.0
769.40125	100.0
770.40735	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	769.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.1
61.98829	22.6
69.03442	7.2
71.01372	7.9
71.95175	1.8
76.60550	1.8
83.01422	1.7
83.05010	2.1
85.02953	2.9
89.02453	3.8
95.01421	1.8
97.02920	2.1
97.22962	1.8
101.02425	5.7
111.08155	3.9
113.02434	3.4
118.42636	1.6
125.02460	1.7
125.09685	2.3
133.34364	1.6
151.11241	4.0
161.09641	2.2
169.01335	3.9
169.12259	2.0
171.10233	3.6
179.10759	6.8
197.11827	67.3
198.12204	2.3
209.11778	6.4
211.13414	2.0
225.11386	1.7
227.12715	2.6
241.10870	3.7
285.45599	1.6
291.19614	4.2
300.99820	4.2
309.20624	6.2
390.52567	2.4
391.02859	2.2
477.19803	2.0
769.40125	100.0
770.40735	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	767.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
61.98822	3.5
91.24285	1.1
98.20689	2.1
100.80817	1.0
125.02449	2.2
165.50850	1.1
169.01398	1.6
171.10258	15.5
266.90027	1.4
277.21719	20.7
278.22137	1.8
295.22784	76.7
296.23181	5.2
299.54184	1.3
300.99902	1.3
471.34808	100.0
472.35135	13.3
697.77167	1.4
761.32819	1.4
768.41797	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	768.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
143.73657	0.1
175.62531	0.1
209.29335	0.1
265.57019	0.1
439.96448	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	768.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88433	0.3
59.01365	1.1
61.98829	100.0
62.97575	0.3
64.51434	0.3
71.01414	0.4
84.32678	0.3
88.28609	0.3
99.22318	0.3
104.09225	0.3
109.97517	0.3
123.00903	0.3
131.17212	0.3
139.08846	0.3
148.87447	0.3
160.05991	0.3
169.01360	0.5
176.58171	0.3
209.11923	0.4
300.99911	0.7
326.06583	0.5
335.28787	0.3
391.03571	0.6
492.81973	0.4
525.56067	0.3
768.40472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11700	0.1
58.12184	0.1
59.01385	0.2
61.98830	100.0
69.97042	0.3
69.97443	0.4
71.01404	0.2
74.68452	0.2
78.95930	0.5
79.95764	0.2
80.96524	1.0
81.64252	0.2
82.96092	0.2
87.41448	0.2
90.08401	0.1
94.98090	0.4
99.88097	0.1
121.28536	0.2
122.48521	0.1
150.98779	0.1
167.50978	0.1
209.11888	0.4
277.21817	0.5
278.22211	0.3
279.22919	0.2
283.26465	0.2
402.70688	0.2
536.80267	0.2
768.41553	1.5
769.41528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.7
61.98829	16.6
63.96227	1.9
71.01384	8.7
71.01746	1.2
71.02084	0.7
72.99305	1.2
73.02943	3.9
75.00846	0.9
77.11070	0.6
78.98579	5.9
79.95738	13.7
80.96516	68.8
81.03415	0.9
83.05035	0.6
85.02962	3.5
87.00853	2.4
88.98790	0.8
89.02427	0.7
94.98086	17.4
96.95999	1.5
97.02954	1.4
99.00885	0.9
99.92548	0.6
101.02451	2.9
103.03982	0.6
105.01910	1.5
106.98080	3.8
116.92870	4.7
117.01928	3.1
117.92858	2.4
118.92660	0.7
119.03474	1.8
122.97570	3.3
125.02444	6.1
127.03969	1.1
134.97601	5.3
135.83258	0.6
136.99098	1.1
148.99130	6.5
152.98631	7.5
161.02518	1.4
163.11263	0.7
164.98625	12.2
167.00104	0.6
169.01411	2.7
188.98616	0.8
194.39873	0.7
206.99707	3.9
209.11794	5.0
210.12109	1.2
225.00726	25.3
263.58832	0.7
358.63394	0.6
479.46408	0.7
509.16980	2.7
519.34772	0.7
541.19415	1.6
568.71521	0.7
769.33209	100.0
770.33423	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	767.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.2
59.01372	1.4
61.98532	0.4
61.98831	4.0
67.33558	0.3
70.08587	1.1
71.01376	0.8
73.02949	16.6
75.00864	1.3
83.93111	0.3
87.00873	0.5
96.96027	1.4
98.95580	0.4
99.00887	4.0
99.92586	10.4
100.92631	0.5
101.02425	0.5
114.93420	0.5
115.00401	0.4
115.04002	0.4
116.03519	0.4
116.07177	0.8
116.92863	100.0
117.01940	34.4
117.05591	1.0
117.92879	4.6
118.02293	0.3
119.05139	0.3
125.02451	1.1
130.66580	0.2
150.03241	0.3
169.01451	1.0
170.42299	0.3
223.32471	0.3
251.38589	0.3
392.92722	0.3
426.08707	0.3
437.70520	0.3
487.34311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.2
59.01372	1.4
61.98532	0.4
61.98831	4.0
67.33558	0.3
70.08587	1.1
71.01376	0.8
73.02949	16.6
75.00864	1.3
83.93111	0.3
87.00873	0.5
96.96027	1.4
98.95580	0.4
99.00887	4.0
99.92586	10.4
100.92631	0.5
101.02425	0.5
114.93420	0.5
115.00401	0.4
115.04002	0.4
116.03519	0.4
116.07177	0.8
116.92863	100.0
117.01940	34.4
117.05591	1.0
117.92879	4.6
118.02293	0.3
119.05139	0.3
125.02451	1.1
130.66580	0.2
150.03241	0.3
169.01451	1.0
170.42299	0.3
223.32471	0.3
251.38589	0.3
392.92722	0.3
426.08707	0.3
437.70520	0.3
487.34311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37142	0.6
59.01363	0.8
61.98811	1.1
63.96235	1.7
71.01384	8.1
71.50880	1.2
73.02924	2.0
77.39344	0.6
78.95889	3.0
78.98583	5.8
79.95730	13.0
80.96513	72.4
81.03442	0.9
82.96082	1.4
85.02953	4.3
87.00871	2.3
94.98082	15.9
96.95998	1.5
96.97635	0.6
97.02937	2.0
101.02408	2.8
106.98067	2.7
122.97569	4.0
125.02419	3.1
134.97591	5.2
136.99089	1.2
148.99139	6.3
152.98595	6.1
152.99615	1.3
164.98611	13.0
171.10301	0.8
188.87402	0.7
197.11807	1.3
206.99620	2.3
211.13293	0.8
223.94363	0.6
225.00739	23.3
255.23314	3.0
277.21652	2.0
279.23303	1.9
511.18237	2.4
537.27417	1.8
767.42462	100.0
768.42719	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	767.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
61.98824	0.6
63.02394	0.8
65.00320	2.0
67.01856	0.6
68.99814	0.7
69.03436	0.9
71.01385	5.5
71.53394	1.0
72.99304	0.7
73.02961	0.6
75.00877	0.5
76.66662	0.4
83.01379	1.9
85.02945	2.3
87.00821	0.7
89.02431	1.3
93.03448	1.4
95.01371	2.5
97.02956	1.0
101.02436	2.2
107.01395	9.8
109.02938	1.9
111.00888	1.4
113.02445	1.9
121.02988	2.7
123.00903	6.7
123.04491	0.5
124.01772	0.6
125.02445	41.9
126.02757	1.4
127.00370	0.6
133.02977	0.6
136.98801	1.0
137.02444	1.1
139.00356	3.2
139.03943	0.7
140.01131	2.3
141.01875	0.7
143.03476	0.7
149.02463	1.3
151.00360	12.8
153.01942	0.6
161.02443	1.1
163.00337	1.1
163.03979	0.9
165.01927	0.9
166.99780	0.7
167.03523	1.2
168.00633	4.6
169.01419	56.7
170.01735	2.4
175.04230	0.5
176.12315	0.6
177.01970	0.6
178.99860	3.4
179.03484	1.2
191.03560	0.8
191.05804	0.6
193.01448	3.9
194.01860	0.5
211.02412	5.0
211.04089	0.7
223.02460	1.9
227.03474	0.8
235.02391	0.7
236.56944	0.5
241.03503	0.7
253.03360	0.9
255.02876	3.1
271.02390	3.7
272.02701	0.6
272.80325	0.5
295.04666	1.7
297.06229	2.2
299.01987	0.7
300.02707	6.8
301.00131	1.0
301.03467	16.8
302.03824	1.5
313.05646	23.0
314.05966	2.0
327.51810	0.5
463.08585	1.2
465.06708	100.0
466.07019	9.4
615.09796	9.1
616.10504	1.2
745.54797	0.7
767.11041	6.4
767.23895	0.6
768.10895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11732	0.5
59.01375	2.2
71.01377	2.3
77.48965	0.7
85.02957	1.2
89.02449	0.6
89.03023	0.5
93.03472	0.9
101.02460	1.0
108.02110	0.8
113.02518	0.7
119.03487	0.6
119.05052	0.7
121.02931	3.0
122.03712	2.0
123.00916	0.7
125.02431	3.5
135.04518	0.8
136.01659	48.2
137.02428	1.3
149.61787	0.6
151.04001	80.3
152.04341	2.6
160.05278	1.3
161.02458	1.3
161.04491	1.3
162.03200	1.2
163.03888	0.6
163.17905	0.7
168.00594	0.8
169.01376	0.9
175.07570	1.5
177.05536	0.8
179.03510	0.8
191.05620	0.7
271.05951	0.7
300.99875	23.6
301.03360	1.2
302.00281	2.1
331.06815	1.2
342.11069	4.1
357.13406	100.0
358.13718	8.6
380.78333	0.7
408.61325	0.6
501.17490	3.2
519.18420	1.8
561.19849	1.5
767.18158	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	765.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
63.96227	1.3
71.01378	6.7
72.99300	0.5
73.02943	1.8
78.98592	5.5
79.95279	1.1
79.95733	13.7
80.96518	74.9
81.03452	1.1
87.00878	2.8
87.73686	0.5
94.98087	17.2
96.95991	1.2
97.02945	1.6
98.20702	0.9
99.00882	1.0
101.02398	2.4
106.98085	3.4
111.63776	0.5
122.97582	3.2
125.02429	3.5
127.04044	1.0
134.97588	4.3
136.99141	2.3
148.99133	6.8
152.98625	6.3
164.98628	14.8
165.98990	0.5
206.99678	2.9
209.11757	0.8
225.00729	23.0
226.01076	0.9
255.23253	1.7
281.08508	0.5
286.22644	0.5
341.33459	0.5
509.17007	2.6
537.27350	1.3
765.40973	100.0
766.41315	19.0
766.53326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
60.75766	0.2
61.98829	100.0
71.53584	0.3
73.02965	0.4
78.95917	0.3
88.98824	0.7
89.02397	0.2
96.96031	0.5
99.92606	0.6
116.92852	4.3
117.01965	0.6
117.92823	1.0
125.02478	0.4
137.20775	0.2
149.02426	0.2
169.01389	0.3
170.41164	0.2
209.11942	0.3
300.99954	0.5
449.77795	0.2
472.03549	0.2
482.74771	0.3
688.56055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98559	1.5
59.01377	3.4
60.08627	1.4
61.98822	1.9
63.02360	1.5
65.00302	3.8
71.01371	2.3
71.52538	2.3
72.99300	1.5
83.01374	3.3
83.47649	1.4
85.02930	3.9
91.01876	1.4
95.01369	2.9
96.96026	3.0
101.02462	3.2
107.01395	8.6
109.02955	2.8
111.00892	3.1
113.02427	3.2
117.86984	1.5
120.60246	1.4
121.02941	3.3
122.03673	2.4
123.00900	7.3
124.01649	2.5
125.02448	61.1
126.02739	2.0
133.02895	1.8
135.03011	2.0
135.04472	1.7
137.02454	2.2
139.00334	3.7
140.01147	2.2
149.02408	3.3
150.03192	8.9
150.99222	2.0
151.00363	22.0
151.03908	2.2
153.01918	1.6
161.02426	3.3
163.00374	2.8
164.01160	2.4
165.01842	1.5
165.05571	9.7
168.00603	6.3
169.01418	61.7
170.01813	2.6
178.99884	12.7
191.03355	1.6
193.01369	2.3
195.06606	6.5
203.03476	2.8
211.02399	5.1
215.03416	1.5
221.04507	5.7
227.03459	5.1
229.05020	1.4
243.02977	14.0
254.02115	2.6
255.02965	26.2
256.03305	2.6
257.04495	2.1
271.02448	59.3
272.02951	6.0
285.03851	2.7
299.01978	1.5
300.02744	96.5
300.96146	1.6
301.00089	3.0
301.03436	41.5
313.05618	12.3
460.69928	1.8
463.08832	5.3
465.06778	11.5
466.06863	1.9
599.08795	1.6
603.98346	1.7
615.00385	3.2
615.09875	37.8
616.10101	4.8
767.10931	100.0
768.11572	19.1
799.36188	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	765.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05970	0.6
63.96223	1.5
69.03481	1.0
71.01382	9.4
71.35196	1.2
72.24690	0.7
73.02938	1.9
75.80016	0.6
77.17146	0.6
78.98589	6.4
79.95734	14.8
80.84139	0.6
80.96517	80.4
81.03454	1.1
82.96119	0.7
87.00876	3.3
94.98083	18.9
96.95991	1.5
97.02927	2.3
99.00871	0.9
101.02425	2.3
106.98067	3.9
113.02479	0.7
122.96786	0.7
122.97572	4.3
125.02438	3.6
127.04012	0.9
134.97594	5.2
136.99109	1.8
148.99130	7.1
152.98624	5.4
164.98624	13.4
202.89565	0.7
206.99638	2.3
209.11754	1.9
212.40034	0.6
225.00732	22.5
226.01006	0.6
255.23097	2.5
283.04849	0.8
509.16647	3.7
537.27557	1.1
598.67749	0.8
735.96100	0.7
765.40967	100.0
766.41339	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	765.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91942	0.5
59.01350	0.6
61.98831	0.9
63.96241	1.3
71.01381	8.6
71.35236	1.1
73.02950	2.0
76.69534	0.5
78.98592	6.8
79.95733	14.3
80.96515	74.5
81.03465	0.7
81.26311	0.6
87.00887	2.8
94.98083	16.9
94.98684	1.0
96.96003	1.3
97.02949	1.9
101.02441	2.4
106.98091	2.6
122.66500	0.6
122.97563	3.6
125.02456	3.8
127.04003	1.2
134.97585	4.4
136.99138	2.2
148.99123	5.8
152.98639	6.6
164.97310	1.0
164.98615	12.9
194.62712	0.5
206.99693	3.4
209.11798	1.2
225.00726	22.0
226.01031	0.9
255.23242	2.2
283.04849	0.9
509.16995	3.1
537.27393	1.4
548.81549	0.6
627.75677	0.7
635.53613	0.6
642.39343	0.6
765.40955	100.0
766.41406	22.2
766.51929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
60.99305	17.4
61.98820	0.6
87.00885	0.8
88.00407	1.7
88.98806	100.0
89.02442	10.1
89.03017	0.3
89.99142	0.9
116.96281	0.2
120.65208	0.2
139.87787	0.2
165.92352	0.2
203.00179	0.2
257.54099	0.2
277.21796	0.3
397.13455	0.6
415.14322	0.3
421.73492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34037	0.2
58.51331	0.2
59.01353	0.2
60.99305	17.1
61.98816	0.8
70.39583	0.7
71.01371	0.3
79.71665	0.2
87.00879	0.6
88.00405	1.7
88.98804	100.0
89.02438	7.2
89.99157	1.0
101.02436	0.3
117.68061	0.2
124.78765	0.2
157.20322	0.3
234.51747	0.2
277.21814	0.3
345.54361	0.3
397.13544	0.6
692.99237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50790	0.9
57.03444	2.4
59.01378	5.3
69.73990	4.7
71.01382	3.1
75.00863	1.4
78.40335	0.8
79.06686	1.2
81.03443	1.2
83.01392	1.6
89.02454	3.4
93.03471	3.3
95.04996	1.6
98.19981	1.4
104.20039	1.0
109.02953	5.6
111.00854	1.0
112.07973	0.9
113.02442	2.3
119.03527	1.7
119.05023	2.6
121.02948	2.0
123.00919	1.7
123.04526	0.9
125.02447	23.5
133.02965	1.2
135.02995	2.9
137.02441	15.1
138.03233	4.3
139.00414	1.0
143.05054	1.3
147.04448	1.4
149.02440	20.5
161.02405	5.4
163.00374	2.1
163.03979	5.1
164.01137	6.0
165.01942	8.2
166.02701	20.2
167.03494	11.0
169.01411	1.1
171.04517	1.9
174.03171	1.8
175.04010	13.2
176.01118	5.1
177.01865	2.3
178.99939	1.4
179.03577	1.0
187.04005	1.4
189.05504	1.4
191.05617	2.3
192.00633	4.8
193.01408	5.5
194.77592	1.0
197.06090	2.6
198.03223	3.6
199.04005	17.0
201.01961	4.5
213.05583	3.1
215.03661	1.2
216.04070	1.2
217.05066	16.0
218.05231	1.1
226.02754	1.4
226.96910	1.1
240.04285	1.3
241.05080	34.1
242.02284	2.3
242.05356	2.7
243.02995	5.9
257.04471	1.8
267.02963	1.2
271.02576	1.5
285.04047	100.0
286.04327	6.2
303.05045	2.5
329.08771	23.7
330.08997	1.7
339.07101	8.2
355.06631	6.8
433.05447	1.2
465.10324	42.2
466.10577	3.9
671.52637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38662	0.2
59.01365	0.3
61.57389	0.2
61.98831	100.0
64.88451	0.2
67.18642	0.2
67.91582	0.2
71.53323	0.2
78.95951	0.3
87.47063	0.2
88.98814	0.4
96.96026	0.6
103.95056	0.2
116.92901	1.0
125.02460	0.4
130.05319	0.2
131.31258	0.3
133.29689	0.2
133.30605	0.2
176.63440	0.2
209.12103	0.3
211.13423	0.4
257.05334	0.2
300.99921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.2
61.98833	22.0
71.01361	1.0
71.53267	1.4
76.27597	1.0
78.95901	27.7
79.95747	1.0
80.02679	2.6
80.96539	4.8
81.03456	2.9
83.01403	1.6
83.05027	7.2
84.02173	2.0
95.05025	1.3
106.90418	0.9
109.06597	1.4
125.00086	1.4
135.08186	2.1
145.16428	0.9
148.51755	1.0
152.99571	2.9
163.11281	7.7
165.12848	4.9
168.04329	5.5
191.10712	2.6
209.11815	92.6
210.12178	5.1
223.13470	2.2
224.06993	4.7
226.12135	1.9
227.12903	13.2
241.14441	15.8
251.72679	1.0
255.23273	79.7
256.23599	7.8
277.21533	2.0
283.26459	0.9
419.25742	1.3
480.31146	4.6
568.32703	1.0
577.28687	0.9
619.36401	1.9
645.37561	1.9
690.43457	100.0
691.43915	17.6
704.45068	8.0
705.45374	1.8
764.39642	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	763.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
60.99307	16.8
61.98830	2.4
71.01390	0.4
81.42470	0.2
87.00871	0.3
88.00418	0.6
88.98804	100.0
89.02438	2.5
89.99165	0.9
93.03453	0.3
95.83298	0.2
96.04678	0.2
96.96008	0.7
101.02461	0.2
112.98592	0.4
115.64361	0.2
116.92857	0.4
123.00816	0.3
125.02481	0.5
135.10919	0.2
136.01642	0.8
137.02477	0.3
146.68427	0.2
150.03233	1.0
151.04002	0.6
165.05539	0.9
169.01401	0.3
181.05040	0.2
187.97702	0.2
195.06586	0.7
209.11818	1.9
227.12875	0.3
277.50989	0.3
327.12402	0.3
355.58218	0.2
357.13330	0.6
715.27734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85546	0.7
55.06621	0.7
58.44074	0.7
61.98833	3.7
63.67638	0.8
68.92444	1.0
70.86568	2.4
78.95894	1.7
91.04513	0.8
121.10240	1.2
125.02439	2.4
169.01405	3.4
185.11769	2.3
275.16956	0.9
291.19666	26.5
292.20041	2.3
430.34027	0.8
471.34763	100.0
472.35074	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	764.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01442	0.8
59.01365	4.0
61.98831	52.6
71.01370	2.0
73.02923	1.0
87.00876	1.5
88.98796	2.0
93.03455	1.4
96.96003	2.8
98.20708	1.4
105.03457	1.9
107.01409	1.0
108.02119	1.4
109.02909	1.4
116.92826	1.7
117.03442	1.3
122.03738	1.7
123.00901	0.9
123.04523	1.9
125.02409	2.5
132.02122	2.4
133.02960	37.7
134.03758	6.0
134.29338	0.9
135.02985	1.4
135.04541	13.3
136.04895	1.2
137.02426	5.3
138.05565	1.0
139.04062	1.0
145.02917	2.1
149.02434	2.8
149.06044	1.8
150.03232	6.5
151.03935	1.1
160.01591	3.2
161.02443	100.0
161.51337	0.9
162.02843	4.3
163.03996	1.9
165.05608	4.7
169.01442	4.3
175.03983	4.2
177.05478	1.3
178.02687	2.5
179.03484	9.5
179.07108	1.0
181.08665	1.1
191.05649	1.1
193.05028	3.4
221.04437	1.5
234.27989	1.0
285.03815	3.4
289.11890	2.1
300.99826	1.7
333.11157	1.5
348.52139	0.9
504.16098	3.4
505.17044	1.9
559.18103	6.3
560.17523	1.2
600.10529	1.5
653.22107	6.6
665.21527	2.8
683.23480	20.5
684.23932	2.2
701.24512	57.2
702.24890	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	761.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	2.2
61.98831	5.3
63.96204	2.2
71.01382	7.1
71.51208	1.4
73.02921	1.9
78.95905	4.4
78.98595	6.0
79.95730	14.2
80.96518	87.0
85.02954	3.6
87.00867	3.8
94.98092	17.7
96.95976	2.1
97.02940	1.4
101.02422	2.1
106.98100	3.5
110.98530	1.2
122.97607	4.5
125.02446	3.6
127.04031	1.0
134.97578	5.5
136.99136	1.6
146.34410	0.6
148.99130	7.2
152.98589	7.0
152.99588	0.8
164.97356	0.9
164.98630	14.2
167.00148	1.0
169.14574	0.7
171.10251	1.1
206.99615	3.0
209.11772	1.1
224.98700	1.2
225.00763	20.7
255.23274	5.5
271.22723	2.1
279.23291	1.0
280.23788	1.0
281.24597	1.6
329.23041	1.0
505.17493	3.9
566.03851	0.8
761.41315	100.0
762.41449	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	761.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.91191	2.5
67.18918	2.5
68.52434	2.5
71.51215	3.0
71.51673	4.1
78.95897	4.9
80.96533	8.2
90.36375	3.2
104.32332	2.7
171.10298	2.9
197.11819	3.2
200.34564	3.2
255.23151	3.1
277.21631	5.0
281.24799	3.9
624.92816	3.2
761.37823	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	763.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25596	1.0
54.93341	0.9
56.94990	0.8
57.03437	3.9
59.01384	5.3
62.47551	1.0
64.50732	0.9
64.84016	1.0
69.32878	6.6
69.33290	1.9
70.66463	0.9
71.01366	3.5
75.00868	11.0
81.03435	1.7
85.02927	1.1
89.02447	5.5
93.03459	1.0
97.02937	1.3
98.19839	1.7
99.04483	1.5
99.21552	1.1
101.02426	2.7
107.01372	1.4
109.02940	4.4
121.02946	1.9
123.04498	1.7
125.01539	1.1
125.02443	21.2
133.02939	1.9
133.60097	1.1
135.03000	44.3
135.04543	3.0
137.02455	11.1
138.03246	4.8
143.04977	1.4
149.02444	21.7
161.02419	7.4
163.00299	1.1
164.01143	5.3
165.01935	7.6
166.02710	20.7
167.03473	12.5
171.04462	1.3
174.03242	2.3
175.02525	1.6
175.03978	12.9
176.01114	4.7
177.01968	2.6
179.03464	3.2
187.03870	1.2
191.03424	1.1
192.00655	6.1
193.01465	4.8
197.06049	2.2
198.03189	3.1
199.03995	18.3
201.01863	3.8
213.05548	3.0
215.03427	1.5
217.05037	14.5
223.04088	1.1
224.32143	1.0
226.02632	1.1
241.05052	39.3
242.02170	1.7
242.05333	1.3
243.02972	6.5
257.04596	1.3
267.02487	1.1
285.04034	100.0
286.04419	7.4
297.06128	8.6
303.05103	3.9
303.16284	1.0
329.08740	23.9
330.09030	1.7
339.07245	9.0
355.06613	7.5
386.59534	1.4
465.10410	57.1
466.10968	6.2
710.52374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16787	1.2
57.43185	1.1
59.01373	4.6
61.98829	100.0
64.79122	1.1
65.33778	1.0
69.25600	9.2
69.26004	3.0
71.01371	4.8
75.00867	13.5
75.94796	1.1
79.12524	1.2
85.02946	2.6
88.98803	3.3
95.27711	1.2
96.95981	2.3
98.19865	2.4
101.02448	2.1
108.02174	1.7
109.02940	2.4
111.00936	1.4
112.69292	1.4
113.02429	1.6
116.92895	1.3
117.03448	1.2
123.00849	1.7
123.04514	2.2
125.02407	3.4
133.02954	24.6
134.03664	4.1
135.02982	2.0
135.04530	20.9
136.01666	2.7
137.02405	4.2
139.04027	2.3
145.02966	1.7
148.01625	1.6
148.05345	1.4
149.02444	2.2
149.06018	2.5
150.03160	2.4
151.03979	3.9
153.05536	2.3
161.02440	69.7
162.02811	2.2
163.04041	6.2
165.01912	2.5
166.02658	3.3
169.01413	4.0
175.03990	2.7
177.01944	2.5
177.05551	5.0
178.02722	12.5
179.03500	19.8
181.05128	6.1
191.05614	3.0
193.05023	22.6
203.03415	2.1
209.04561	3.2
211.06000	4.6
211.07668	3.1
212.08020	1.7
221.04506	5.6
255.03224	1.4
264.62524	1.2
285.04044	1.5
300.99835	2.5
323.04071	2.5
323.07687	35.7
324.07870	2.2
343.11780	1.3
356.43924	1.5
419.40439	1.4
429.08255	1.5
475.12271	5.1
505.13419	3.4
516.12579	4.6
517.13464	17.9
518.13873	2.2
532.12366	8.0
533.12939	1.7
534.13666	28.7
535.14429	21.4
536.15057	2.2
667.20404	2.7
677.32904	1.6
697.21301	19.6
698.21509	2.1
716.39490	1.7
761.14984	2.1
761.27026	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	760.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.52914	0.2
78.95903	0.5
89.68464	0.1
182.17371	0.1
203.71909	0.1
209.11929	0.3
255.23257	0.1
346.10800	0.1
412.16852	0.1
425.92081	0.1
432.82275	0.1
708.45251	0.2
760.45856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77402	4.0
61.98812	3.9
70.84718	8.6
74.47113	4.0
209.11812	100.0
210.12172	5.8
227.12823	24.9
235.07753	3.7
253.09230	8.5
277.21667	55.9
321.29068	3.5
445.20630	4.6
513.14050	3.8
759.40820	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	759.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.4
61.98817	21.3
69.79245	10.6
69.97636	56.8
76.23342	11.5
80.96531	12.5
107.84093	11.1
172.30144	10.3
209.11813	95.2
227.12912	64.3
253.09293	18.1
253.21690	49.9
277.21771	100.0
388.27786	10.6
463.21735	12.2
593.24176	12.2
723.42926	25.8
758.89691	10.6
759.40723	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
61.98829	57.3
63.45758	0.7
69.35349	5.4
71.01356	2.2
80.52455	0.7
96.96009	0.8
101.02455	1.0
107.05009	0.7
109.02943	4.9
117.03478	1.1
121.02914	0.8
123.00994	0.7
125.84204	0.7
132.02133	2.3
133.02954	31.1
134.03638	2.6
135.04521	27.3
136.01633	3.1
137.02432	1.5
138.46471	0.7
139.03981	0.9
139.62610	0.8
148.01704	0.9
149.02484	1.3
149.06039	1.2
150.03169	0.8
151.04005	4.1
156.59003	0.8
158.46812	0.7
159.04536	0.9
160.01619	1.3
161.02437	89.4
162.02745	3.7
163.03979	3.5
165.01862	1.5
166.02699	3.2
175.03946	3.4
177.01920	1.0
177.05548	4.7
178.02744	1.0
179.03494	19.5
179.07082	0.7
180.03836	0.9
181.05057	9.4
191.05463	0.7
193.05016	2.7
201.05501	0.8
203.03444	1.5
220.03903	1.0
221.04477	3.9
245.04449	1.2
255.06627	1.0
280.05820	1.1
323.07706	17.9
324.08057	1.0
324.87534	0.8
329.10464	1.4
382.72012	1.0
439.08179	0.8
444.97647	0.9
565.46198	0.9
647.36414	0.8
697.21326	100.0
698.21539	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	757.466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.1
61.98832	14.7
78.95900	44.4
89.09548	0.8
96.96948	4.3
98.19863	2.0
110.98512	1.2
152.99580	58.3
171.00615	7.4
171.10185	3.0
183.13832	1.4
195.13904	10.5
196.14523	1.1
209.02077	1.3
211.13126	1.1
223.13461	4.8
223.16891	1.2
227.03113	4.6
228.13789	0.9
235.16920	2.9
245.04320	1.6
253.21709	29.0
254.22021	1.8
255.23201	2.2
275.20114	13.9
277.21640	2.4
281.24799	2.4
293.21219	42.6
294.21481	3.4
295.22827	1.4
310.28391	0.9
367.94351	1.0
369.59726	1.1
429.20258	3.7
430.08069	1.0
483.27432	1.1
503.24112	2.9
505.25583	2.1
521.25165	100.0
522.25500	9.6
598.38043	0.9
757.46454	49.0
758.46924	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	758.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08689	0.1
59.01376	0.4
61.98830	100.0
65.77087	0.1
70.94621	0.1
70.94956	0.2
78.95915	0.2
199.13354	0.1
201.11340	0.4
202.11780	0.1
209.15863	0.1
225.11346	0.1
226.11760	0.1
277.21713	0.6
278.22159	0.4
361.13425	0.1
393.04791	0.1
448.22437	0.1
629.84259	0.1
758.44220	1.3
759.45099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86448	0.1
57.60889	0.1
59.01365	0.2
61.98828	100.0
71.01384	1.9
71.43838	0.1
73.71783	0.1
78.95906	0.4
84.71218	0.1
89.02470	0.1
115.38842	0.1
152.99588	0.2
171.10265	1.9
172.10654	0.6
199.09787	0.4
201.11331	0.6
203.76129	0.2
207.10295	0.4
225.11346	0.3
229.67957	0.1
244.21738	0.1
253.09277	0.2
263.63986	0.1
277.21646	1.0
278.22067	0.8
429.72351	0.1
532.18695	0.2
561.83447	0.1
657.24274	0.2
758.44318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15893	1.2
55.61423	1.3
59.01375	15.6
61.98832	54.0
63.78157	1.5
68.99858	1.3
70.54489	3.7
71.01382	84.1
73.02932	2.2
75.01921	1.3
77.04240	1.6
78.95902	12.4
79.03519	1.2
81.03458	1.6
85.02965	1.3
89.02470	3.2
97.02959	1.7
99.00824	2.0
101.02466	6.9
107.67548	1.3
108.24689	1.2
109.06598	7.3
113.02438	2.7
119.03465	1.4
125.09753	3.1
127.11284	3.2
137.09717	1.4
152.99594	4.8
154.94170	1.3
155.10796	1.8
161.04536	1.8
163.11293	3.6
171.10268	100.0
172.10599	5.2
181.08688	2.9
181.12349	2.9
191.36096	1.4
197.11809	2.0
199.09770	20.4
199.13380	3.6
201.11299	23.4
207.10255	29.1
208.10597	1.6
209.11760	3.2
225.11346	17.3
235.08134	1.5
243.12447	2.7
251.20142	1.4
253.09280	12.2
255.23369	3.8
277.21701	72.3
278.22095	8.1
332.15530	1.5
435.18506	3.3
445.19913	1.4
449.30838	1.6
461.20206	5.2
497.55261	1.5
521.24701	1.7
524.79785	1.5
669.41943	1.5
708.44305	5.1
714.46478	1.5
721.42078	3.3
722.41486	1.7
739.43256	2.0
745.93481	1.5
757.43604	22.2
758.43524	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	757.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48032	0.8
59.01380	10.5
59.15780	0.7
60.49879	0.7
61.98831	8.4
65.81466	0.7
71.01382	63.8
71.53759	1.1
73.02940	2.3
78.95902	4.4
83.01392	1.1
83.05025	0.9
85.02952	1.7
87.00896	1.8
89.02453	2.2
99.00874	2.0
100.85037	0.8
101.02445	3.7
101.83051	0.8
109.06598	3.3
113.02414	1.4
125.02444	1.0
125.09778	1.6
127.11288	2.2
137.09691	1.4
145.05069	1.0
152.28085	0.8
152.99617	2.0
155.10802	1.7
161.04485	2.1
163.11296	2.8
169.12399	1.5
171.10271	43.4
172.10626	2.6
175.69490	0.9
181.08629	1.3
181.12349	1.9
199.09763	8.5
199.13419	1.0
201.11314	7.2
207.10255	11.9
208.10493	1.4
209.11893	2.2
225.11305	8.7
226.11786	1.0
235.08170	5.0
251.20230	2.1
253.09270	9.8
258.52780	0.8
277.21707	100.0
278.22009	9.1
292.64267	0.9
381.15939	0.9
398.66797	0.9
461.20395	1.7
510.75439	0.8
523.78485	0.8
529.37885	0.9
721.41577	2.4
722.41504	1.3
739.42426	1.3
746.78632	0.9
757.43652	12.1
758.44354	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.0
58.00601	1.3
59.01377	12.8
61.98830	49.3
62.65848	0.8
67.33465	1.0
67.60250	1.0
69.31033	6.8
69.49688	0.8
70.23942	0.9
71.01382	95.4
72.01700	1.0
73.02936	2.9
74.83533	1.0
77.36462	1.0
78.95905	7.0
85.02959	2.5
85.36082	1.0
87.00874	2.7
89.02438	3.3
92.60041	1.0
97.02990	1.8
97.06603	1.4
99.00883	1.9
101.02472	4.9
109.06587	7.6
113.02465	3.4
125.02415	1.0
125.09735	3.1
127.11299	4.1
135.08173	1.2
137.09726	2.0
152.99614	3.6
153.09134	1.0
155.10757	2.1
161.04590	2.5
163.11313	5.9
165.09180	1.1
169.01460	1.3
171.10269	100.0
172.10600	4.5
179.05663	1.4
181.08676	2.0
181.12352	2.8
194.13651	1.0
197.11838	1.4
199.09744	20.2
199.13376	2.2
201.11316	24.5
202.11691	1.5
207.10254	21.0
208.10580	1.8
225.11324	17.5
235.08266	3.2
243.12373	2.7
253.09268	15.1
265.16827	1.1
277.21716	83.1
278.22061	7.5
304.70206	1.3
329.23404	1.2
360.43799	1.1
435.18600	3.6
442.64520	1.0
450.49301	1.1
461.19931	4.8
721.41809	4.2
722.43835	1.2
739.42731	3.1
757.43567	17.9
758.44214	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.2
59.01385	9.1
61.98829	15.9
67.86165	0.7
68.52340	0.8
68.99574	5.9
71.01382	100.0
72.01726	1.3
72.05544	0.8
73.02931	1.6
74.84835	0.8
78.95894	4.1
83.01366	0.8
83.05004	1.0
85.02971	1.1
85.35010	0.8
87.00861	3.8
89.02448	2.8
97.02929	1.4
99.00857	1.6
101.02435	3.8
109.06588	3.5
112.98544	7.5
113.02456	2.3
114.93402	5.7
114.98946	0.9
115.00378	3.6
122.20150	0.7
125.09722	2.0
127.11277	2.4
137.09753	1.1
152.99559	2.2
153.09212	1.2
161.04504	1.5
163.11288	3.5
163.71931	0.8
171.10265	71.5
172.10553	3.1
181.08740	0.8
181.12315	2.3
197.11809	1.0
199.09758	8.7
199.13354	1.9
199.65488	0.9
201.11290	9.5
207.10254	12.7
215.12851	1.2
225.11284	9.7
233.52309	0.8
235.08189	4.6
243.12444	1.3
253.09253	10.3
277.21704	95.4
278.22018	7.6
435.18665	1.3
461.20319	2.2
479.20987	1.5
649.80981	0.9
721.41656	3.1
739.42816	1.7
757.43768	13.3
758.43805	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	25.8
61.98829	45.1
62.33154	2.4
71.01389	5.9
71.09811	6.5
78.95888	13.4
80.96510	3.1
82.32774	2.5
96.96941	3.0
99.00892	5.3
100.35298	2.9
101.02423	4.4
108.70036	2.5
118.39959	2.5
124.25970	2.9
125.09715	3.5
127.11224	4.4
149.09938	2.7
152.99530	6.0
163.11343	3.3
165.09171	4.3
169.01430	2.4
171.10283	5.5
181.12383	6.1
199.13367	14.7
201.11340	71.9
207.10255	11.9
225.11292	18.0
232.33015	3.1
243.12227	6.3
253.09178	8.4
260.70932	3.0
266.37338	2.5
277.21729	32.3
278.21985	4.4
291.73050	2.9
461.19885	6.2
589.63947	3.2
664.89154	3.0
721.41278	3.8
739.42975	9.2
757.29877	5.0
757.43610	100.0
758.44226	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06632	1.8
59.01376	29.0
61.98831	28.3
63.02302	1.9
66.52439	2.0
70.73268	4.5
71.01378	4.5
76.86678	1.6
78.95906	10.2
85.02937	2.3
87.12481	2.0
89.02467	2.2
92.05820	2.0
99.00861	5.8
101.02418	2.7
113.02390	2.8
125.02412	3.0
125.09708	6.1
125.57635	1.9
127.11269	6.4
152.99529	5.8
155.10811	2.3
163.11278	3.5
165.09135	2.3
171.10268	4.0
181.12331	7.4
199.09581	3.5
199.13379	11.1
201.11317	74.6
202.11632	3.6
207.10265	10.4
225.11305	24.7
226.11681	2.2
243.12434	10.1
253.09225	7.5
277.18857	3.2
277.21707	35.9
278.22025	3.8
461.20166	6.7
471.34509	3.2
721.41302	3.1
739.42786	10.8
740.42596	2.2
757.43762	100.0
758.44104	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	757.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76624	0.4
59.01377	4.2
71.01364	2.5
71.52415	0.8
72.99319	0.9
75.00871	4.9
85.02959	0.5
87.00881	0.8
89.02448	2.9
101.02435	1.8
109.02962	0.6
113.02455	1.1
115.00354	0.5
117.01974	0.7
117.03455	1.0
119.03535	1.2
119.05027	4.9
120.87865	0.4
121.10994	0.4
132.02194	0.8
133.02959	20.0
134.03699	0.6
135.02991	12.9
135.04527	11.5
137.02458	0.5
145.02979	0.6
151.06140	1.7
161.02438	85.8
162.02785	3.3
163.04010	7.6
167.26831	0.5
175.02475	1.3
175.04013	0.4
177.05634	1.1
179.03500	11.5
180.03865	0.6
203.03499	0.6
209.82486	0.5
221.04539	1.2
247.02563	0.5
251.05588	1.2
271.02628	0.8
274.34540	0.6
281.06619	4.0
285.66699	0.6
299.01993	1.0
301.00076	0.6
327.04688	0.5
391.66898	0.4
404.73700	0.5
475.14548	100.0
476.14761	7.4
757.18036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79354	4.4
61.98835	100.0
74.32629	4.6
77.70621	3.5
78.95908	14.0
79.95740	3.7
86.95245	3.9
118.75462	3.8
207.10233	10.4
214.48448	4.7
225.11263	12.3
277.21716	14.3
449.40570	4.5
461.20331	8.7
566.62683	4.7
721.42035	7.2
757.39124	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	757.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63897	3.4
59.01355	4.5
60.99303	11.9
61.22742	3.6
61.98829	100.0
69.54565	17.0
69.54976	6.8
73.02946	3.9
74.30128	3.5
78.95904	13.0
80.96506	7.2
88.98801	58.5
89.02430	19.0
109.06596	9.4
147.54898	3.8
163.11299	6.8
192.25401	4.1
199.13199	4.5
207.10225	40.4
225.11238	13.1
235.08211	9.9
253.09265	10.3
277.21683	98.7
278.22122	15.6
329.28430	4.0
461.20236	5.4
721.41772	37.2
722.41766	6.9
757.38953	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	757.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
60.88574	0.2
60.99306	16.1
61.98832	2.6
68.27908	0.2
69.43079	1.6
71.01387	0.7
72.99310	0.3
73.02949	0.3
75.52721	0.2
77.68497	0.2
87.00872	0.7
87.86755	0.2
88.00406	1.2
88.01259	0.2
88.98804	100.0
89.02443	8.7
89.99141	0.9
94.79033	0.2
101.88776	0.2
125.02408	0.3
136.05305	0.3
137.02411	0.2
147.80927	0.2
161.02399	0.3
201.11256	0.3
244.44452	0.2
267.63248	0.2
313.76193	0.2
365.22903	0.3
639.35449	0.3
653.39807	0.3
713.38519	0.3
757.32953	0.2
763.26367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.9
61.98832	4.0
70.73215	0.8
71.01389	3.2
73.07249	0.9
78.95911	2.6
80.02676	0.7
81.03452	1.0
83.05032	2.6
85.02962	1.4
89.02457	2.2
98.20704	1.5
101.02441	3.0
111.54457	0.7
113.02473	1.9
113.22357	0.7
129.12717	0.7
135.61221	0.7
152.99554	1.2
161.04559	1.8
163.11285	2.3
165.12885	1.0
171.10315	0.9
192.27966	0.9
208.45135	0.9
209.11819	87.5
210.12267	3.9
223.44806	0.8
227.12866	10.4
229.14124	0.9
235.08240	5.6
253.09277	8.6
259.15598	0.9
277.21719	100.0
278.22147	7.7
291.78848	0.8
483.77344	0.8
699.83380	0.8
755.40753	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	756.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72295	0.1
61.98829	100.0
69.80431	0.8
78.95903	0.4
80.96523	0.2
91.71712	0.2
110.72945	0.1
128.09267	0.2
189.46939	0.2
214.17343	0.2
277.21713	0.3
357.25113	0.2
359.77478	0.2
421.54614	0.2
476.09967	0.2
756.45599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93904	11.5
53.59385	10.3
53.65018	10.4
61.98820	43.6
64.25496	9.9
67.24680	13.5
78.95901	68.1
93.45606	10.6
94.26011	11.0
97.06661	11.5
110.98529	15.9
112.60104	9.8
123.07986	10.9
152.55383	10.8
152.99573	11.0
171.10297	21.3
277.21725	72.9
327.21756	40.2
755.45013	100.0
756.44232	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50438	0.4
55.66298	0.4
57.03436	0.4
58.00600	0.4
59.01379	4.2
61.24603	0.4
61.98829	3.2
62.16438	0.5
63.71143	0.4
69.03434	0.6
69.33706	2.1
69.34130	1.3
71.01389	3.8
73.02939	0.7
80.02676	1.5
81.03461	1.1
81.40344	0.4
83.05029	5.2
84.02194	0.5
85.02902	0.7
89.02428	2.7
95.05046	0.9
97.02944	2.0
97.06591	0.8
98.19875	0.6
101.02454	3.3
106.21716	0.5
111.08150	3.3
113.02454	2.0
119.03498	0.6
124.67825	0.5
127.00182	0.4
135.08119	0.6
137.09676	1.2
161.04543	1.2
163.11282	5.3
165.12827	3.7
169.12320	1.9
171.10217	2.5
179.05678	0.6
181.12338	1.1
183.13861	0.7
191.10782	1.1
197.11812	16.1
198.12207	0.7
199.13432	1.0
209.11823	100.0
210.12143	5.4
211.13406	3.7
213.49942	0.4
225.11343	0.8
227.10738	0.8
227.12883	11.1
228.13136	0.7
229.19774	0.4
235.08217	2.7
247.20644	1.4
253.09282	12.8
254.09641	0.7
263.20044	0.8
265.18170	0.5
291.19647	21.2
292.19946	1.3
293.21347	0.6
299.53336	0.4
309.20694	42.2
310.21133	3.3
445.20767	0.5
478.82672	0.5
545.29401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06937	0.2
59.01373	0.3
60.99304	16.8
61.98830	3.7
68.53068	0.2
69.17458	0.8
69.17878	1.2
71.01359	0.3
80.02470	0.2
80.96553	0.2
87.00882	1.3
88.00405	1.0
88.98803	100.0
89.02438	6.7
89.99155	1.2
98.15601	0.2
99.21303	0.2
139.11615	0.2
169.01427	0.4
176.16165	0.2
176.97308	0.2
329.32251	0.2
440.26285	0.2
537.17560	0.2
570.01703	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76427	0.3
58.00102	0.3
59.01375	1.4
59.43842	0.3
60.99306	16.3
61.98828	2.0
71.01382	0.5
71.52704	0.4
73.02926	0.7
75.00895	0.4
75.70241	0.3
77.11142	0.3
78.37331	0.4
80.96480	0.6
84.56936	0.3
85.02969	0.5
86.73737	0.3
87.00884	1.1
88.00416	0.8
88.98805	100.0
89.02441	9.7
89.02997	0.5
89.99141	0.7
96.96014	0.6
119.08815	0.3
123.00809	0.4
125.02463	2.4
127.77335	0.3
132.02184	0.6
133.02934	0.8
134.03708	1.1
135.03020	0.4
135.04546	0.9
139.13474	0.3
150.03233	0.8
160.01668	2.3
161.02463	2.1
165.05573	0.5
168.00642	0.5
169.01401	2.7
175.03995	1.6
184.19978	0.3
193.05011	1.2
223.96208	0.3
255.03148	0.3
271.02533	0.3
285.03900	0.5
301.00034	0.6
431.13385	0.4
448.18054	0.3
711.27332	1.6
712.28802	0.6
755.24554	0.7
755.34863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22552	0.9
55.01876	4.2
57.03434	2.5
58.00581	1.2
59.01379	54.8
60.99297	6.3
61.98828	100.0
62.76035	0.8
64.75436	0.9
69.03449	1.1
71.01381	34.7
72.01710	0.8
72.99303	5.4
73.02953	9.2
75.00868	2.4
76.05898	0.9
80.96525	1.8
83.01385	7.4
85.02947	20.2
86.00069	0.9
87.00867	3.2
88.98804	34.3
89.02444	8.9
93.03445	1.1
95.01382	4.5
96.96001	1.5
97.02919	2.7
99.00891	4.3
101.01801	1.6
101.02442	23.9
111.00883	4.1
112.01658	0.9
113.02446	16.4
119.03449	2.3
119.05050	1.2
123.00867	1.0
124.01639	1.6
125.02444	9.5
129.01901	0.9
135.04463	0.9
137.02415	2.0
139.00282	1.0
139.54868	1.0
143.03487	2.6
145.02927	1.0
159.02992	2.9
161.02426	1.1
161.04523	3.3
169.01413	4.4
171.13913	1.2
188.13589	1.0
190.18404	1.1
209.11827	1.0
299.25772	2.3
300.99951	1.3
345.29965	6.1
489.33975	4.7
507.35336	10.6
651.39594	96.6
652.39972	12.8
669.40649	52.3
669.49567	0.7
670.40936	6.9
711.41779	19.3
712.41962	3.4
755.26001	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
63.02414	0.4
65.00346	0.7
68.31451	0.3
69.84301	1.6
71.01381	1.2
73.02939	0.3
73.84650	0.3
75.00864	0.4
82.85166	0.3
83.01373	0.5
85.02949	0.3
85.16580	0.3
93.03464	1.0
98.19935	0.4
101.02433	0.6
107.01394	1.1
109.02950	0.7
117.03448	0.5
121.02967	0.5
125.02453	2.0
132.02182	0.5
133.02953	7.8
135.00929	0.3
135.04526	8.3
137.02454	0.9
145.02931	0.4
147.04544	0.3
149.06046	0.4
151.00377	3.0
153.01981	0.4
155.05095	0.4
159.04507	1.1
161.02435	24.8
162.02803	0.7
163.00369	0.6
169.01422	2.5
169.06558	0.7
171.04509	0.6
175.04051	0.7
177.01981	0.5
177.05576	1.9
179.03497	6.9
183.04533	0.4
185.06076	1.2
187.04053	0.5
189.05513	0.6
197.06245	0.3
203.03447	0.7
211.04025	1.1
212.19510	0.3
213.05583	0.8
214.02798	0.6
220.03764	0.5
221.04587	2.1
227.03500	13.5
228.03951	0.7
229.05020	1.2
239.03532	0.7
255.02988	15.2
256.03702	2.3
257.04477	1.3
263.05490	0.6
280.05914	0.4
283.02441	1.5
284.03256	14.7
285.04028	100.0
286.04352	5.6
300.99976	0.7
323.07697	25.8
324.08093	1.5
431.09790	11.3
432.09964	1.0
469.13568	0.8
489.32144	0.6
544.83484	0.4
603.10864	0.5
609.12439	51.2
610.12756	6.7
638.35193	0.3
755.18585	5.9
756.18292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44680	0.9
59.01370	3.5
63.02366	0.9
67.01883	1.9
69.03445	3.0
71.01377	3.8
71.53561	1.6
72.55428	0.7
72.99292	0.9
75.00845	1.0
79.01891	0.9
81.03437	1.2
83.01383	2.6
84.35681	0.8
85.02941	3.0
87.00858	0.9
93.03458	17.4
95.01382	5.5
96.33815	0.7
97.02917	1.8
99.00855	1.0
101.02419	2.5
107.01384	7.9
108.02200	1.2
109.02993	0.9
111.00873	3.9
113.02452	4.1
119.03539	0.9
119.05016	1.2
121.02940	1.4
123.00880	15.4
124.01690	1.9
125.02442	85.7
126.02750	3.0
127.99368	0.8
129.31271	0.8
133.02934	5.3
133.69658	0.8
135.02982	0.9
135.04510	5.7
136.01668	0.9
136.98811	1.0
137.02443	36.5
138.02690	0.9
139.00371	5.7
140.01123	3.6
141.01860	1.5
143.07057	0.8
145.02899	2.6
147.04541	1.3
149.02419	1.3
151.00365	9.8
151.03976	1.0
153.01955	2.2
153.97659	0.9
161.02435	16.0
163.03976	1.1
165.01898	1.3
166.99884	5.0
168.00629	5.1
169.01419	100.0
170.01759	3.7
171.01805	1.1
175.03835	1.2
177.01880	1.6
177.05508	1.0
179.03488	12.9
184.31204	0.9
191.03439	1.7
191.05615	1.9
193.01466	3.9
205.01419	2.1
205.05112	1.3
207.02919	1.5
209.04561	1.8
211.02368	1.3
221.00665	1.0
227.03494	2.4
229.05083	0.9
229.07274	0.9
233.04381	1.9
235.02460	1.5
241.05034	1.1
255.02898	3.7
257.04459	1.6
281.06570	2.1
284.03268	5.3
285.04004	23.3
286.04437	1.2
295.04520	2.6
301.03656	1.1
313.05615	1.4
323.07645	3.5
378.83386	1.0
403.06424	1.2
415.06598	5.3
417.08121	1.2
431.09677	2.2
433.07742	25.2
434.07837	1.8
467.07285	1.7
468.07724	2.1
531.26807	0.9
541.09772	12.8
542.10059	1.1
585.08777	53.1
586.09241	4.1
593.13263	1.0
603.09979	10.0
609.12372	18.2
755.09863	21.1
756.10760	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	754.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90483	0.2
59.01381	0.4
60.52411	0.2
61.98830	100.0
71.01404	0.2
71.52943	0.3
71.59746	0.2
73.57648	0.2
74.68771	0.2
79.95744	0.3
80.96503	0.9
88.98808	0.4
89.02482	0.2
94.98112	0.2
96.96028	0.5
97.02914	0.2
105.01951	1.1
116.92870	0.3
125.02460	0.6
137.02429	0.4
137.28648	0.2
162.44409	0.2
165.01889	0.2
169.01471	0.4
195.13719	0.2
209.11937	0.3
225.00740	0.3
300.99905	0.4
382.63803	0.2
391.02930	0.2
533.31287	0.3
754.34387	1.8
755.34875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44680	0.9
59.01370	3.5
63.02366	0.9
67.01883	1.9
69.03445	3.0
71.01377	3.8
71.53561	1.6
72.55428	0.7
72.99292	0.9
75.00845	1.0
79.01891	0.9
81.03437	1.2
83.01383	2.6
84.35681	0.8
85.02941	3.0
87.00858	0.9
93.03458	17.4
95.01382	5.5
96.33815	0.7
97.02917	1.8
99.00855	1.0
101.02419	2.5
107.01384	7.9
108.02200	1.2
109.02993	0.9
111.00873	3.9
113.02452	4.1
119.03539	0.9
119.05016	1.2
121.02940	1.4
123.00880	15.4
124.01690	1.9
125.02442	85.7
126.02750	3.0
127.99368	0.8
129.31271	0.8
133.02934	5.3
133.69658	0.8
135.02982	0.9
135.04510	5.7
136.01668	0.9
136.98811	1.0
137.02443	36.5
138.02690	0.9
139.00371	5.7
140.01123	3.6
141.01860	1.5
143.07057	0.8
145.02899	2.6
147.04541	1.3
149.02419	1.3
151.00365	9.8
151.03976	1.0
153.01955	2.2
153.97659	0.9
161.02435	16.0
163.03976	1.1
165.01898	1.3
166.99884	5.0
168.00629	5.1
169.01419	100.0
170.01759	3.7
171.01805	1.1
175.03835	1.2
177.01880	1.6
177.05508	1.0
179.03488	12.9
184.31204	0.9
191.03439	1.7
191.05615	1.9
193.01466	3.9
205.01419	2.1
205.05112	1.3
207.02919	1.5
209.04561	1.8
211.02368	1.3
221.00665	1.0
227.03494	2.4
229.05083	0.9
229.07274	0.9
233.04381	1.9
235.02460	1.5
241.05034	1.1
255.02898	3.7
257.04459	1.6
281.06570	2.1
284.03268	5.3
285.04004	23.3
286.04437	1.2
295.04520	2.6
301.03656	1.1
313.05615	1.4
323.07645	3.5
378.83386	1.0
403.06424	1.2
415.06598	5.3
417.08121	1.2
431.09677	2.2
433.07742	25.2
434.07837	1.8
467.07285	1.7
468.07724	2.1
531.26807	0.9
541.09772	12.8
542.10059	1.1
585.08777	53.1
586.09241	4.1
593.13263	1.0
603.09979	10.0
609.12372	18.2
755.09863	21.1
756.10760	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	753.443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.7
61.98829	11.3
70.19827	0.6
70.40242	0.6
71.01379	3.1
73.02946	0.7
78.95892	3.0
80.96509	1.3
83.04984	0.8
85.02967	0.8
89.01945	0.7
89.02454	1.5
101.02445	2.5
110.16124	0.5
113.02431	1.1
119.03454	0.9
145.05037	0.6
152.99586	0.8
153.12872	0.8
169.12306	3.8
195.10150	0.9
197.11823	78.6
198.12228	3.6
229.76950	0.8
235.08195	4.8
253.09253	6.6
255.23174	0.7
277.21707	100.0
278.22018	8.3
286.73621	0.7
298.67114	0.6
415.19794	1.3
433.20828	1.8
451.33649	0.6
513.30560	1.2
637.59491	0.6
753.39844	3.9
754.40216	1.0
768.87268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.9
59.01381	9.2
59.91047	1.6
61.98592	1.5
61.98830	17.2
69.03433	4.5
71.01396	8.9
71.05022	2.4
71.44777	2.8
72.99276	1.5
73.02942	1.5
75.00874	1.5
78.86678	1.7
80.02663	1.7
81.03432	1.7
83.05021	4.3
85.02949	1.9
87.00878	2.5
89.02434	4.8
90.69107	1.3
95.05046	2.4
96.95992	1.3
97.02980	2.0
97.06578	2.5
99.00854	2.3
101.02427	6.0
109.06584	2.8
113.02429	4.6
122.21732	1.6
123.00899	1.8
125.02417	11.3
125.09695	3.6
137.02438	1.7
151.11285	2.1
161.04498	2.7
161.09785	2.2
163.11275	5.1
165.12848	2.5
169.01447	14.5
169.12422	1.5
171.10240	4.6
174.17099	1.7
179.10844	7.8
181.12318	2.0
195.13950	3.2
197.11824	74.8
198.12184	2.7
199.13248	1.6
207.10201	4.7
209.11806	64.1
210.12103	3.6
211.13341	3.9
223.13509	3.4
225.11308	6.4
227.12881	10.6
235.08154	2.1
241.10742	3.1
245.19037	4.4
253.09380	12.8
257.00754	2.2
263.20117	3.9
275.01987	4.0
275.20099	3.6
277.21698	1.9
289.18130	13.3
293.21188	10.2
300.99973	6.8
307.19193	16.3
309.20749	2.8
390.52332	1.5
391.02991	4.1
391.53168	2.4
392.03873	2.4
399.02524	1.8
445.20667	1.8
543.28265	1.9
744.24341	2.4
745.25275	2.6
753.40668	100.0
754.40839	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	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.4
60.99303	2.7
61.18164	1.4
61.98829	100.0
69.39822	9.1
71.01375	7.1
72.99281	1.7
73.02935	3.1
77.23642	1.2
78.95873	1.2
79.95736	2.7
80.91644	1.7
80.96502	11.0
85.02953	4.3
88.98814	6.1
89.02443	3.3
94.98080	2.7
95.01439	1.3
96.83345	1.1
96.96010	13.0
96.97004	1.1
97.02953	1.3
101.02431	6.4
104.90874	1.1
109.03026	1.5
113.02442	3.1
116.92838	1.7
118.13892	1.2
120.99664	1.6
125.02426	3.8
137.02414	1.4
162.25146	1.3
164.98662	1.5
175.72507	1.1
178.25436	1.2
209.11835	2.1
211.13319	2.6
225.00787	2.0
225.64835	1.3
247.28366	1.1
255.03140	1.6
271.55707	1.2
468.44052	1.3
500.12170	1.3
505.35422	1.7
667.40503	1.7
709.41644	81.7
710.42017	16.6
753.33136	12.8
754.33972	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	753.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01376	5.7
61.98832	6.7
63.79305	0.4
68.06712	0.5
69.03446	1.3
69.86958	1.2
69.87370	2.4
71.01379	5.3
73.02938	0.8
75.81290	0.5
78.95877	0.8
80.02671	1.7
81.03437	2.6
83.01378	1.8
83.05029	6.1
84.02177	1.0
85.02950	2.1
87.00874	1.1
89.02448	3.8
95.01387	0.6
95.05043	1.1
97.02964	3.1
97.06586	1.8
99.00853	1.0
101.02458	5.0
109.06583	6.9
111.08127	1.8
113.02462	2.7
116.92859	1.2
119.03498	1.0
121.06602	1.0
121.45059	0.5
123.00875	0.5
123.04514	1.5
123.08180	0.8
125.02445	1.6
125.06059	0.7
125.09703	4.2
125.91328	0.5
135.03113	0.5
135.08203	1.6
137.09700	1.4
142.02728	1.1
149.06039	0.7
151.11244	0.7
161.04561	1.7
163.11285	10.5
165.12831	3.2
169.01450	2.0
171.10277	1.7
179.10745	0.8
181.12370	2.3
185.11880	4.1
189.09193	0.6
191.10828	1.3
191.14401	4.7
197.11832	5.7
207.10252	19.8
207.96938	0.5
208.10609	1.0
209.11821	100.0
210.12163	5.6
211.13382	1.8
223.13441	0.8
225.11319	7.5
226.11780	0.7
227.12888	10.6
235.08273	3.4
237.11314	2.4
245.19078	7.8
249.14873	0.6
253.09282	12.4
253.11858	1.0
263.20255	2.0
271.16956	0.8
275.01901	0.9
281.21170	0.8
289.18085	36.0
290.18488	3.0
291.19690	3.8
301.00031	1.2
307.19122	32.3
308.19574	2.7
309.20740	10.2
327.19690	0.9
383.22015	0.6
391.02975	0.6
401.23172	1.2
419.24622	0.9
443.19189	0.8
461.20325	1.8
499.31003	1.1
517.31396	0.9
543.28351	0.7
637.32788	1.3
735.39417	1.5
753.40704	8.9
754.40790	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
59.63889	0.3
61.98822	1.5
63.66855	0.3
67.05038	0.3
68.31113	0.3
69.25190	0.3
69.28429	1.6
69.28868	1.3
71.01378	1.8
71.90342	0.3
72.99305	3.9
73.38250	0.3
75.00872	100.0
76.01202	1.1
76.87009	0.3
85.02977	0.5
87.23946	0.4
89.02453	0.9
95.01374	0.5
98.19933	0.6
101.02457	1.1
123.00887	1.1
123.10200	0.3
124.01482	0.3
125.02467	1.9
125.03230	0.3
131.91833	0.3
139.00316	0.4
143.99400	0.3
151.00409	0.4
169.01433	1.8
170.01663	0.4
179.05573	0.4
211.13423	0.4
220.49994	0.4
222.97787	0.4
229.01120	0.4
235.08226	0.6
277.21729	3.5
286.11096	0.4
296.98398	0.3
300.99725	0.7
301.02859	1.2
301.52914	0.5
307.02768	0.5
315.02451	1.8
315.52823	2.0
316.02936	1.4
329.78973	0.3
397.13510	6.4
398.13837	0.8
415.14706	2.0
529.36908	0.4
750.77228	0.8
751.27972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.37
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11245	0.1
57.03434	0.1
59.01371	0.4
59.74594	0.1
61.98827	100.0
62.98517	0.2
71.01360	0.1
73.02940	0.4
78.43559	0.2
78.95898	0.2
86.91168	0.1
88.86094	0.1
88.98817	0.6
96.96027	0.3
98.19903	0.4
99.00904	0.2
99.92597	0.2
109.02961	0.1
116.92847	1.7
117.01959	0.6
117.92912	0.4
125.02470	0.3
165.01964	0.1
169.01445	0.2
209.11874	0.5
211.13364	0.2
233.45218	0.2
248.40099	0.1
273.00583	0.2
275.02023	0.2
300.99948	0.3
343.11786	0.1
372.40417	0.2
706.62885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
60.99302	0.9
63.97814	0.2
67.01885	3.4
69.03459	1.1
69.45164	1.2
69.45583	0.7
71.01378	1.3
73.02917	0.2
81.03452	0.7
83.05022	0.6
85.02949	4.2
87.00867	5.4
93.03456	23.7
94.03831	0.3
99.00847	0.4
99.04513	0.5
109.02953	1.0
111.04520	3.7
113.02483	0.3
117.03452	0.7
127.03994	1.2
129.01935	0.9
134.03740	8.0
135.47595	0.2
136.01701	0.3
137.02457	0.3
141.78442	0.2
149.06056	0.7
151.00360	1.1
151.03941	0.5
153.01932	0.2
155.03500	0.8
156.86470	0.3
160.01669	0.5
161.02464	0.5
171.03024	0.4
173.04541	8.6
175.03975	0.9
178.02654	0.3
181.05049	0.3
191.05602	100.0
192.05946	3.3
193.05057	4.7
194.86250	0.3
199.04008	1.0
215.03358	0.3
227.03496	0.5
231.84525	0.3
243.02995	0.6
248.67009	0.3
251.42812	0.2
255.03014	0.7
271.02475	10.0
272.02835	1.0
285.03906	0.3
299.01956	16.5
300.02475	2.8
300.99991	0.5
301.03503	4.6
302.03885	0.6
307.85403	0.3
367.10306	42.7
368.10641	3.4
385.11212	0.6
387.14453	1.0
504.09048	3.1
505.09836	3.8
547.11224	0.3
667.14423	0.4
709.16119	11.0
710.16510	3.1
753.17407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
58.00603	2.0
59.01369	1.4
68.21293	0.4
71.01381	4.2
72.38875	0.4
73.02935	0.8
83.01392	0.4
84.37035	0.4
84.50065	0.4
85.02953	1.7
87.00871	3.0
89.02423	0.7
96.95988	0.4
98.19865	1.1
101.02438	1.8
108.02203	0.5
111.00906	0.6
113.02431	1.8
117.03444	0.8
119.05016	0.4
121.02962	2.8
122.03745	1.5
125.02450	2.1
129.01891	0.6
135.02905	0.5
135.04559	0.8
137.02438	1.1
145.02957	2.9
146.03725	0.9
147.04529	0.9
149.02434	28.6
150.03221	47.9
151.03549	1.3
161.02454	3.0
161.04549	4.7
162.03273	4.2
163.00392	0.8
163.03976	1.9
164.04788	14.6
165.05565	100.0
166.02658	0.5
166.05902	3.3
169.01430	0.5
177.05595	2.1
180.04240	5.7
189.01926	0.6
191.05554	0.9
195.06615	42.4
196.06941	1.6
206.52502	0.4
241.05022	0.5
243.03009	1.0
285.03964	1.4
300.99829	0.6
302.49786	0.5
327.10825	34.6
328.11203	1.8
329.08447	0.6
339.10873	1.3
357.11938	2.9
395.84576	0.4
463.07040	0.8
465.10275	0.9
713.41199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	9.2
69.71831	20.5
71.01369	6.2
72.99290	3.7
75.00874	16.2
77.73759	3.7
77.74197	4.2
81.03478	4.1
83.01367	9.4
87.00861	6.1
88.75951	4.2
93.03450	7.1
95.01363	5.1
95.05070	5.4
96.96010	6.8
99.00883	5.9
105.03407	4.1
109.02956	26.5
110.37212	4.5
115.00346	6.7
121.02934	9.0
123.04510	17.7
125.02439	97.5
126.02712	4.2
126.46809	3.8
133.02991	5.0
135.00882	12.3
135.03006	18.1
137.02460	40.9
139.04033	9.7
143.56880	4.1
149.02425	13.6
150.03256	5.4
151.00381	6.1
151.04021	14.7
159.04494	8.2
161.02443	45.5
161.05971	4.2
163.00368	91.2
163.03976	10.1
164.01088	19.3
165.01958	29.3
171.08798	4.2
171.59682	4.7
174.03178	3.9
175.04016	17.7
176.01115	12.7
177.01909	20.4
179.03479	6.5
187.03947	10.4
188.01187	6.0
189.01895	10.7
191.05650	5.0
193.01277	5.7
199.03894	9.1
202.99960	9.2
203.03462	5.1
203.07092	7.1
205.01326	4.2
205.05049	9.0
209.00790	6.9
211.03970	8.6
213.05487	7.7
215.03473	5.7
217.01393	6.7
217.04990	7.0
225.05487	6.5
227.03511	7.3
239.03404	9.4
240.04294	4.5
241.04959	8.9
243.02953	21.7
245.08121	17.5
253.04976	10.1
255.02917	14.9
256.03552	5.9
257.04553	9.6
261.03970	5.1
267.02844	16.9
268.03568	6.9
269.04608	24.7
270.05289	14.3
273.57120	4.5
283.02414	24.3
285.03992	7.5
287.05646	31.4
289.07184	57.0
294.01712	11.1
295.02408	14.6
297.03931	13.5
299.05283	8.0
300.99887	9.1
311.02118	6.2
312.02615	12.2
313.03662	7.7
325.03336	20.3
327.05167	6.8
401.05289	5.8
407.07629	29.6
419.07639	22.0
421.09106	22.4
423.07254	6.9
425.08902	27.0
445.05728	28.9
447.07254	18.5
449.08939	10.2
451.10181	15.4
463.06662	100.0
464.07108	18.3
465.08264	36.5
493.07632	10.3
575.11884	8.7
577.13330	17.0
597.10229	5.6
599.10669	8.9
615.11401	41.0
616.11652	10.3
627.63409	4.6
673.11761	5.1
677.60834	4.3
733.13904	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	751.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.0
59.01363	4.6
59.20177	1.4
69.35023	1.2
71.01386	3.0
71.21980	2.3
78.42005	1.3
81.03462	1.5
85.02927	2.0
89.02426	3.5
96.96010	1.9
105.03434	1.9
108.02177	24.1
109.02953	9.9
119.03433	1.6
120.28733	1.5
121.02961	3.5
123.04559	1.6
125.02446	26.6
129.64691	1.2
137.02458	11.9
138.03185	5.2
147.04547	1.3
149.02455	20.6
151.00229	1.6
152.01154	19.4
153.02007	7.6
161.02417	6.2
163.00371	3.7
164.01137	5.3
165.01901	7.7
166.02713	17.8
167.03511	10.3
171.04483	2.0
173.06059	1.3
175.04005	13.4
176.01111	4.6
177.01881	2.5
191.03574	1.4
191.05579	3.4
192.00645	6.6
193.01405	5.8
197.05975	2.4
198.03214	2.9
199.03972	18.1
200.33401	1.9
201.01979	3.4
213.05551	3.8
217.05049	12.7
239.57195	1.5
239.69629	1.3
241.05046	38.2
242.02142	2.4
242.05223	2.7
243.02914	5.9
285.03806	100.0
286.04144	6.7
300.99750	3.6
303.05099	5.4
329.08743	24.1
330.08481	1.5
339.07129	10.7
355.06680	6.7
465.03766	3.0
465.10339	56.5
466.10751	3.9
508.77045	1.5
599.10181	1.5
639.82660	1.5
736.82837	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	751.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
61.98844	0.8
65.00316	1.3
67.01878	1.0
69.03461	2.6
69.36584	5.7
71.01382	2.8
72.99309	3.4
79.01900	1.2
81.03460	2.1
83.01384	2.0
85.02940	1.2
87.00884	1.4
93.03467	2.1
95.01386	3.3
97.02963	3.5
98.20615	1.1
99.78125	0.8
101.02445	2.1
106.04277	0.7
107.01388	11.6
108.01683	0.7
108.58506	0.7
109.02959	1.7
111.00868	2.2
113.02477	1.3
117.03445	1.0
118.33698	0.8
119.05047	1.6
121.02957	1.8
122.03758	1.4
123.00879	11.4
123.04527	0.9
124.01658	2.7
125.02448	94.5
126.02815	2.9
127.00360	1.0
133.02963	1.9
135.04521	1.8
136.21838	0.8
136.98799	1.4
137.02446	2.9
139.00389	4.8
140.01147	4.4
141.01981	1.2
145.02959	1.1
147.04501	1.5
149.02411	3.5
150.03230	7.4
151.00368	9.0
153.01913	1.4
159.04538	1.3
161.02419	2.1
161.06000	0.9
163.00366	0.9
163.04019	1.2
165.01939	1.9
165.05585	7.6
166.99828	1.3
167.03532	1.9
168.00644	8.9
169.01421	90.0
170.01756	2.5
175.04019	1.2
177.01895	1.9
177.05516	0.9
178.99933	0.8
179.03484	1.3
181.08740	0.8
187.04001	1.5
191.03528	5.2
193.01437	2.1
195.06575	3.9
203.03502	0.8
205.01430	2.0
207.02933	0.8
211.02380	4.0
211.04198	0.8
221.04561	15.2
222.04825	0.8
223.02405	1.0
227.03488	15.3
228.03979	1.3
229.05099	1.3
255.02983	28.1
256.03561	2.3
257.04514	1.4
283.02374	0.9
284.03268	24.7
285.04013	11.7
295.04352	3.4
313.05612	14.5
327.05194	0.7
329.13873	1.5
339.65466	0.7
383.07681	0.8
427.06699	0.8
465.06668	15.5
466.07275	1.2
477.19501	0.8
507.19391	0.8
599.10315	5.9
685.26111	0.8
751.11487	100.0
752.11865	16.2
752.25311	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	751.1149
Annotation	Loropetalin D
Peak:m/z	Relative Intensity
55.01876	0.5
56.18026	0.3
59.01367	2.1
61.98827	1.0
65.00325	0.8
67.01889	1.0
68.99773	0.4
69.03453	1.7
69.30599	3.4
71.01376	3.7
72.99323	0.6
73.02946	0.7
79.01878	1.5
81.03457	0.9
83.01391	2.4
85.02947	4.0
86.59766	0.4
88.98798	1.0
89.02439	1.0
91.05489	0.4
93.03458	1.1
95.01391	3.4
96.95998	0.9
97.02956	2.0
99.00837	0.4
101.02441	6.2
105.03476	0.5
107.01383	11.1
107.05054	0.5
109.02934	1.2
111.00859	2.0
113.02454	5.4
117.03443	0.4
121.02942	1.3
123.00875	13.3
124.01672	1.1
125.02442	67.2
126.02796	1.5
127.00430	0.8
133.02977	1.0
135.04510	0.8
136.98817	1.7
137.02414	1.3
139.00371	5.3
139.03967	0.7
140.01160	3.4
141.01923	1.4
143.03523	0.5
145.02950	1.5
149.02435	1.5
150.03189	1.1
151.00363	11.9
151.01584	0.7
151.03979	1.1
153.01929	0.8
159.04538	0.4
161.02425	4.3
163.00346	0.5
163.03975	1.1
164.01143	0.5
165.01884	1.4
165.05588	2.1
166.02751	1.0
166.06328	1.2
166.99846	2.5
167.03470	1.1
168.00632	5.9
169.01414	100.0
170.01790	2.5
173.02406	0.6
175.03954	0.9
177.01941	1.5
179.03491	7.5
181.08682	0.6
185.06100	0.6
187.03966	0.9
189.05527	0.4
191.03482	1.7
193.01382	3.6
193.05032	0.6
195.03111	0.5
195.04860	0.4
195.06580	0.8
199.03999	0.4
203.03450	1.2
205.04973	0.4
207.02939	1.6
209.04478	1.0
211.02390	1.1
214.43382	0.4
219.02919	0.5
221.00761	0.8
221.04430	0.8
223.02440	1.2
227.03508	2.4
228.93687	0.4
229.05052	2.3
235.02437	1.5
241.03250	0.6
241.05342	0.5
247.02399	1.1
251.05678	1.1
253.03525	0.6
255.02957	3.7
255.06572	0.4
256.03601	1.1
257.04520	1.5
269.06705	0.5
270.09042	0.5
284.03223	5.2
285.04025	15.9
286.04318	1.1
295.04559	5.0
297.06177	0.8
300.99738	0.4
301.10855	0.6
313.05630	41.0
314.06015	2.4
358.13925	0.6
421.07721	7.9
422.08038	0.7
437.67844	0.5
443.13031	0.4
450.38419	0.4
465.06699	86.8
466.07053	8.3
581.09802	0.7
599.10370	16.5
600.10742	3.0
670.83850	0.4
720.98486	0.4
751.11359	8.3
752.11499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.8
61.98827	4.0
63.96236	1.3
71.01373	7.3
72.01347	0.6
73.02936	2.3
78.95908	3.0
78.98592	6.5
79.95731	14.1
80.96515	72.1
81.03474	0.7
85.02954	3.6
87.00866	2.3
94.98080	16.5
96.95990	1.7
97.02962	1.4
101.02460	3.1
106.98067	3.7
116.92838	0.9
118.48659	0.6
122.97580	4.2
125.02431	2.9
134.97589	5.0
136.99098	1.4
137.09889	0.7
148.99118	5.6
152.98576	5.4
164.98615	11.6
171.10286	0.7
206.99661	3.0
211.13336	2.0
225.00714	17.8
228.86977	0.6
235.44952	0.7
255.23299	1.8
261.63144	0.7
261.65945	0.7
262.60001	0.6
277.21683	2.9
293.21255	1.3
300.41302	0.7
493.17584	2.2
537.12109	0.7
537.27393	1.3
749.41400	100.0
750.41431	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	751.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01113	0.3
59.01374	0.6
67.01892	0.4
69.03472	0.5
69.46459	0.8
69.46862	1.6
71.01373	3.9
72.10816	0.3
72.99308	0.3
73.02959	0.4
79.01921	0.5
81.03450	0.6
83.01378	0.5
85.02959	1.2
87.00861	0.6
93.03474	0.5
95.01383	1.2
97.02939	0.9
101.02467	0.6
107.01392	6.3
111.00914	0.8
113.02466	1.3
115.13258	0.3
123.00892	6.6
123.04556	0.4
124.01660	1.2
125.02446	41.4
126.02773	1.1
127.00333	0.6
136.98824	0.9
137.02452	0.9
138.03323	0.4
139.00356	3.4
140.01134	1.7
141.01945	0.5
149.02444	0.6
151.00356	4.6
151.03990	0.5
153.01949	0.6
153.37691	0.3
154.99832	0.4
165.01973	0.8
166.02702	0.4
166.99866	1.0
167.03493	1.0
168.00647	3.6
169.01418	58.2
170.01765	2.2
177.01894	0.5
179.03485	1.1
183.03014	0.4
187.03955	0.6
191.03520	0.8
193.01433	3.4
199.59970	0.3
205.01364	0.4
211.02477	5.1
221.04471	0.3
221.62567	0.3
223.02509	1.2
227.03551	0.6
229.05078	0.7
235.02406	1.0
241.03442	1.1
253.03540	0.8
255.02979	0.9
257.04614	0.6
284.03381	0.7
285.03989	3.8
286.04266	0.4
295.04453	2.2
297.06137	3.2
313.05649	21.0
314.05945	1.8
340.22501	0.3
429.56299	0.3
465.06705	100.0
466.06992	10.1
599.10547	3.6
600.10699	0.8
751.10974	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	748.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01147	2.5
59.01378	24.7
63.55274	2.5
64.25505	2.7
71.01376	15.9
73.02974	2.7
77.81344	3.0
85.01754	2.6
85.02959	3.8
89.02439	25.8
95.66898	2.8
101.02441	16.4
109.76778	2.7
113.02441	12.5
119.03484	14.7
125.96956	2.3
164.67348	2.7
179.05627	4.6
201.16357	3.1
210.08246	2.5
242.34012	2.7
255.23259	2.7
271.22784	3.3
304.06445	2.6
405.69034	2.8
532.47504	16.5
550.48132	9.2
616.55090	2.9
712.53607	100.0
713.53754	13.8
748.51514	23.5
749.51868	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	749.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.5
55.93303	1.8
57.03433	6.4
59.01386	18.8
61.98829	71.4
69.03449	2.5
71.01382	18.1
72.99287	3.4
73.02927	6.3
75.00859	4.8
78.95900	3.0
80.96513	2.4
83.01366	7.1
83.05009	2.5
85.02965	10.4
87.00871	5.6
88.98800	7.2
89.02431	5.0
93.03455	5.0
95.01372	2.9
96.96009	22.1
98.95575	7.7
99.00877	5.0
101.02445	21.7
105.35048	2.2
111.00834	2.4
111.08131	6.4
112.16730	2.1
113.02440	7.5
116.92812	2.4
119.05003	3.1
121.02920	7.0
122.03738	14.8
123.04514	3.3
125.02453	3.2
133.02927	6.9
134.03743	4.4
135.04514	2.4
137.02486	4.7
145.02942	5.4
146.03706	2.8
147.04562	2.4
149.02432	31.4
149.06093	4.0
150.03224	100.0
151.03746	6.2
161.02493	2.9
162.03127	2.7
163.03983	3.2
164.04802	10.6
165.05571	79.4
165.12831	31.4
166.06168	9.2
167.07068	3.4
169.01379	6.1
178.06104	1.8
179.05579	2.4
179.07115	4.6
180.04254	4.4
181.05022	2.1
181.08742	14.4
183.13896	38.2
184.14259	3.2
195.06630	19.1
208.24767	2.3
209.11809	10.2
227.12900	11.8
253.09155	2.1
300.99823	4.1
314.11523	4.5
329.13959	20.3
343.13864	13.2
398.26953	2.0
473.18082	5.2
491.19226	62.1
492.19519	7.0
521.20111	10.3
539.21252	85.4
540.21704	10.1
552.25555	5.7
553.26471	5.4
587.28400	2.7
607.27338	4.0
701.31165	5.3
713.31635	2.3
731.32880	16.6
732.33014	3.1
749.33740	78.7
750.34705	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58347	1.7
59.01381	23.9
71.01382	19.3
71.38210	2.2
72.99316	2.9
84.24476	1.9
89.02451	24.9
101.02473	14.9
111.58593	1.8
113.02435	8.7
119.03511	12.3
119.09895	1.8
135.34589	2.0
143.03476	2.9
161.04536	3.9
179.05649	9.7
210.76752	2.1
225.22240	5.7
235.20316	1.9
255.23308	1.9
271.22803	2.9
345.04340	2.1
350.43088	2.1
527.44348	2.1
532.47382	24.1
533.47546	4.3
550.48279	8.9
712.53601	100.0
713.54059	19.1
748.51465	22.8
749.51227	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	747.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66589	0.7
55.19352	0.6
57.03444	1.2
58.00594	3.4
59.01377	100.0
60.01710	0.8
61.98823	6.4
67.61518	0.8
69.20879	6.0
71.01379	67.1
72.01737	0.8
72.99300	4.5
73.02945	1.7
75.32296	0.7
83.01396	2.8
85.02943	11.7
87.00891	3.0
89.02441	89.0
90.02809	0.9
93.03460	2.8
95.01388	5.8
101.02436	38.6
102.02805	1.0
108.60993	0.7
109.03032	0.8
113.02447	25.3
118.89342	0.7
119.03497	42.6
121.02980	4.1
122.03742	9.6
131.03465	4.9
133.02985	1.4
143.03481	8.5
149.02435	14.6
149.04471	4.0
150.03221	62.5
151.03667	2.5
160.01706	1.6
161.04538	6.9
164.04826	2.6
165.05560	52.6
166.05968	1.7
169.01472	1.0
179.05600	15.4
180.04366	3.4
195.06612	27.9
196.06975	1.2
210.77333	0.8
225.95564	0.7
257.11838	2.2
259.52396	0.7
270.09009	2.8
285.11383	3.0
298.08505	2.5
300.99869	6.1
303.85919	0.7
310.08545	1.5
311.09088	1.0
313.10956	2.6
323.96182	0.7
324.09717	1.1
325.10843	2.5
326.07999	2.2
326.11530	0.9
340.13062	0.8
341.10266	18.3
341.14209	1.6
342.10834	1.6
356.12579	7.0
371.14954	39.5
372.15326	3.6
385.91116	0.8
519.20386	1.6
541.02509	0.9
585.23303	1.3
747.15100	1.0
747.28503	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	747.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.9
59.01377	16.8
61.98818	3.8
71.01378	22.8
72.99299	7.9
75.00870	23.1
78.95908	8.1
81.03474	2.3
81.80326	1.8
84.02177	2.0
85.02956	22.6
87.00854	8.5
89.02483	4.7
92.72314	1.9
95.01364	6.0
99.00875	14.1
102.21847	1.8
110.72492	1.7
113.02447	25.3
117.01932	3.6
129.01985	2.3
163.11259	3.5
175.02489	4.4
209.11845	40.5
212.17737	1.8
219.31216	2.1
224.66611	1.7
227.12854	3.1
249.06165	3.7
250.46104	1.8
255.23297	100.0
256.23630	9.8
267.19565	5.8
268.19992	4.3
275.16498	2.0
281.24805	3.0
293.17554	2.5
294.17700	2.1
483.04990	2.0
505.30072	4.3
715.42688	96.7
716.42847	17.6
747.45422	83.6
748.45496	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	747.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01703	2.2
60.84386	1.6
61.98827	5.7
62.52778	1.6
71.52965	2.0
78.95912	4.8
80.96522	2.3
152.99533	3.9
169.01422	3.5
171.10304	2.6
171.29405	1.8
255.23387	4.9
382.83865	2.0
455.17374	3.8
473.18253	5.4
483.23148	2.0
496.13913	2.7
512.13208	10.3
526.15057	11.0
527.15161	4.1
601.19342	4.2
614.20154	86.3
615.20544	21.2
618.16351	2.1
646.18805	9.5
687.22858	6.4
747.25238	60.8
747.37964	5.5
748.25519	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	747.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.6
58.00583	2.5
59.01377	100.0
60.01722	1.0
61.98830	5.2
66.36686	0.9
71.01380	63.5
72.99297	4.5
73.02932	1.5
83.01394	2.0
83.74094	0.8
85.02942	10.0
87.00862	2.7
89.02442	78.9
93.03426	2.4
95.01384	4.3
101.02437	36.3
113.02448	24.2
119.02660	2.0
119.03492	36.1
121.02943	2.3
122.03747	6.5
131.03505	5.2
132.02164	1.0
143.03517	6.7
149.02428	13.4
149.04501	3.0
150.03221	39.5
159.13968	1.2
160.01588	1.5
161.04509	4.7
164.04797	2.0
165.05556	34.2
166.05832	1.9
179.05585	11.9
179.07047	1.6
180.04231	1.7
180.05804	1.0
195.06601	22.0
242.09395	1.2
249.36191	0.9
257.11771	1.1
270.08768	1.9
285.11362	2.7
298.08362	2.4
310.08279	1.1
311.09439	1.1
313.10602	2.2
325.10779	2.2
326.07739	2.7
326.11395	1.4
332.26343	0.9
341.10318	15.4
342.10648	1.5
356.12634	8.3
357.12814	1.5
371.14978	28.5
372.15262	2.9
482.70547	1.1
504.17926	1.1
519.20209	10.3
520.20856	1.2
585.23773	1.7
747.28546	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	747.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.9
59.01388	4.9
60.68544	0.8
69.81332	2.4
69.81749	2.8
71.01382	3.2
75.00871	1.0
81.03454	2.2
83.01396	1.7
88.20525	0.8
89.02451	4.0
93.03447	0.9
99.04527	1.6
101.02399	1.7
109.02942	4.1
119.03542	1.0
119.05029	5.2
121.02959	2.9
125.02442	22.3
135.03023	3.1
137.02443	11.8
138.03223	3.8
143.05048	2.0
149.02438	19.8
161.02435	3.6
163.00401	2.2
163.04025	10.8
164.01195	4.9
165.01973	7.2
166.02701	18.2
167.03471	10.9
171.04585	1.2
174.03282	2.0
175.03961	15.0
176.01123	4.0
176.11479	0.9
177.01907	2.1
179.03600	1.1
185.06187	1.0
189.01944	0.9
191.03461	1.5
192.00650	4.4
193.01370	3.8
197.06105	1.1
198.03215	2.8
199.04001	15.9
201.01900	2.9
213.05612	2.8
217.05020	11.9
223.04065	1.4
226.02756	1.5
241.05060	34.6
242.02237	1.8
242.05367	1.9
243.03009	5.6
257.04425	1.1
281.06607	2.3
285.04034	100.0
285.54379	1.0
286.04379	4.4
303.05014	4.8
329.08752	23.1
339.07199	9.4
355.06659	8.0
381.87378	1.0
465.10339	51.2
466.10596	4.2
481.64175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.3
61.98827	100.0
62.98539	0.5
69.40797	4.2
71.01366	3.0
82.76727	0.5
83.29376	0.4
84.61124	0.5
89.02460	2.3
101.02455	1.3
109.02934	1.3
121.02943	0.9
125.02451	0.9
130.85225	0.6
133.02942	7.0
134.03723	1.6
135.04518	31.9
136.04846	1.1
137.02437	1.6
147.99829	0.6
149.06058	6.2
161.02432	29.5
162.02809	1.0
162.43219	0.6
165.01936	0.6
165.05551	0.6
169.01439	0.9
177.05560	14.1
178.05876	0.7
178.23564	0.6
179.03494	45.8
180.03868	1.6
203.03517	1.7
221.04536	23.9
222.04945	1.7
239.20009	0.7
251.05600	22.7
252.05861	1.0
255.10365	0.9
281.06641	43.6
282.07037	2.3
283.09695	4.2
311.09293	10.4
311.12845	1.1
323.07776	1.9
325.10898	1.7
326.11597	8.8
327.12042	1.0
341.08731	53.6
341.13644	2.1
342.09155	3.7
683.23444	14.1
683.40222	1.9
684.24243	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	746.397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37473	0.1
59.01367	0.8
60.01725	0.2
61.98829	100.0
66.58990	0.1
71.01363	0.2
89.02431	0.4
98.20734	0.3
101.02414	0.2
147.59645	0.1
239.38725	0.1
300.99863	0.2
341.83920	0.1
394.32025	0.2
395.57910	0.1
426.31122	0.2
438.52280	0.1
459.34766	0.3
460.35184	0.6
461.35410	0.7
462.36127	0.4
522.35583	0.4
523.35535	0.3
524.36066	0.5
716.54773	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	746.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76941	0.1
59.01376	1.4
60.99326	0.2
61.98827	100.0
62.98513	0.2
71.01382	0.6
85.02949	0.2
87.42508	0.1
89.02451	0.8
101.02467	0.3
113.02453	0.3
119.03489	0.1
125.02484	0.2
133.02934	0.6
135.04546	0.5
147.36168	0.1
150.03185	0.3
151.00334	0.2
161.02448	1.7
165.05597	0.3
169.01369	0.3
179.03542	0.3
179.05591	0.5
180.20967	0.1
186.45866	0.1
190.62225	0.1
195.06633	0.2
196.07005	0.1
215.78566	0.1
246.63567	0.1
285.04135	0.5
286.04227	0.2
324.41345	0.1
459.34839	0.2
460.35141	0.5
461.35535	0.5
462.35764	0.4
521.34912	0.2
522.35315	0.6
523.35516	0.5
524.35931	0.9
629.73621	0.1
683.23596	1.2
684.24225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01377	2.2
61.98829	100.0
63.99253	0.7
69.06841	0.5
69.34544	4.0
70.72599	0.4
71.01377	1.2
71.38201	0.4
74.77975	0.4
85.02964	0.4
89.02467	1.1
96.95955	0.6
98.19981	1.2
101.02450	0.9
109.02931	0.7
110.14612	0.5
113.02444	1.0
117.03450	1.2
118.98065	0.6
121.02898	0.8
125.02411	0.7
132.02187	1.6
133.02954	27.6
134.03671	1.6
135.04538	7.1
136.01549	0.6
137.02403	1.3
144.71864	0.5
145.02930	1.0
149.06149	0.6
150.03255	0.6
160.01660	1.2
161.02438	70.1
162.02823	2.0
163.03999	1.0
169.01393	1.2
175.04002	4.0
179.03494	3.4
193.05057	1.5
197.85182	0.5
211.06184	0.5
309.07422	0.5
315.12485	0.7
329.13766	0.6
341.13828	0.5
460.35080	0.6
461.35345	0.7
477.17627	2.1
491.19119	1.6
503.18756	0.6
523.35034	1.1
547.18713	0.7
588.37946	0.6
653.22357	23.6
654.22485	2.2
665.22418	14.6
666.22559	2.0
683.23352	27.0
684.23669	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	745.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.3
59.01375	15.7
60.99305	3.5
61.98831	43.4
62.79275	1.9
69.03455	6.3
71.01365	9.2
71.05012	2.7
72.33795	2.0
72.99322	3.0
73.02940	7.8
78.95904	5.7
79.95738	2.8
83.01367	4.1
83.05032	4.0
83.78461	2.6
84.44395	2.4
85.02926	3.7
87.40494	2.5
88.98810	26.7
93.77807	3.0
95.05061	3.5
96.96012	51.4
96.96970	5.1
97.06591	3.8
98.95573	2.4
101.02458	5.6
108.02171	9.7
109.02938	11.8
111.08159	15.4
113.02448	5.2
117.03519	2.7
121.02930	5.6
123.00909	3.4
123.04523	10.0
125.02438	6.3
129.84256	2.3
134.03725	9.1
135.04526	5.2
136.01680	14.4
137.02400	6.1
139.03932	2.9
142.70627	2.4
145.02875	4.3
146.03755	7.5
147.04512	3.0
148.01671	31.7
149.02412	8.6
149.06067	6.8
150.03232	11.5
151.04013	23.6
152.99567	2.2
153.05568	26.7
161.02406	7.0
162.03242	4.2
163.04016	64.1
164.04718	8.5
165.02028	2.9
165.05479	3.4
165.12834	74.4
166.02657	7.7
169.01451	4.7
177.01941	8.3
177.05623	2.8
178.02722	38.8
179.03439	4.8
179.07080	7.5
181.05060	38.5
183.13892	57.7
184.14220	3.7
187.14890	2.3
189.12756	3.4
190.51715	2.5
191.10719	3.2
192.04269	5.6
193.05049	61.0
193.15871	2.8
196.03761	2.5
197.15396	2.8
204.04184	2.4
204.19171	2.2
207.06631	5.8
207.13899	6.4
209.04500	16.0
209.11783	11.0
211.06113	100.0
212.06372	3.1
214.34140	2.6
219.13850	2.7
221.15398	8.9
227.12895	62.1
231.13815	6.1
233.11777	12.5
240.57571	2.3
249.14940	6.4
251.12874	22.1
254.05888	16.0
255.06453	5.1
263.12799	3.5
265.14462	13.8
268.07523	2.9
269.08167	37.2
269.13956	11.0
270.08862	13.0
275.12918	12.2
281.08206	3.2
283.09637	4.1
284.10614	5.3
293.13937	82.9
293.17264	4.3
294.14066	3.8
298.08496	4.7
310.08469	4.7
311.14923	5.4
313.10870	14.5
321.48700	2.2
325.10809	4.3
328.09454	7.1
331.19675	2.2
343.11859	50.6
344.12180	3.9
353.15970	2.7
355.11868	5.3
371.17087	97.7
372.17450	6.5
373.12869	46.4
374.13245	5.0
452.84833	2.9
523.21692	6.7
561.81677	2.8
565.22662	4.4
581.22284	30.6
582.22870	7.1
583.23834	38.2
584.24048	3.9
745.29584	27.0
746.30499	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	745.308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	3.8
59.01385	7.2
59.01635	1.8
60.99281	4.2
61.98541	1.2
61.98831	19.0
62.28487	1.1
64.24335	1.0
69.03436	3.6
71.01365	4.6
72.99302	2.0
73.02940	5.9
80.70755	1.2
81.03442	1.9
83.01358	1.9
83.05008	3.1
85.02933	3.0
88.98805	23.1
89.02420	1.8
93.03426	1.4
94.98077	1.8
95.01357	1.4
95.04971	1.3
96.96012	11.6
97.02918	2.0
97.06561	1.9
99.00857	1.8
101.02413	3.7
108.02138	3.1
109.02947	51.6
109.06562	1.3
111.08169	6.6
113.02425	2.5
121.02939	1.9
123.00883	2.9
123.04481	5.0
124.01661	1.9
125.02454	2.1
133.85826	1.1
134.03683	2.4
135.04500	1.3
136.01662	24.6
137.02452	2.6
146.03722	9.1
147.04495	2.8
148.01674	6.7
149.02380	4.8
149.06033	1.4
150.03195	6.2
151.02895	1.8
151.04005	28.3
153.05563	7.8
161.04588	1.1
161.06029	2.9
162.03152	1.9
163.04008	20.2
164.01149	14.2
164.04759	6.5
165.01918	9.2
165.05547	2.4
165.12831	47.0
166.02718	25.6
166.13055	2.1
167.03450	6.3
176.21538	1.3
178.02692	6.4
179.03401	4.5
179.07130	15.0
181.05061	100.0
181.12265	1.6
182.05318	3.3
183.13889	34.8
184.14236	1.7
189.12761	1.5
192.04216	1.1
193.05037	20.3
195.13918	1.7
197.15401	1.7
201.11272	1.9
203.14349	3.3
205.16081	1.2
207.06281	1.2
207.13861	3.1
209.11865	6.9
211.06110	19.3
221.15317	4.9
223.13301	2.2
227.10794	1.8
227.12866	27.8
228.13217	2.5
231.13843	3.1
233.11847	6.0
249.14859	3.7
251.12857	12.4
254.05638	2.7
265.14386	8.4
269.08020	4.1
269.13852	4.1
270.08972	1.7
270.14014	1.2
275.12869	8.7
285.04095	1.4
293.13962	50.9
294.14282	3.0
311.14862	1.8
313.10767	3.0
343.11877	9.8
344.11765	1.7
353.15829	1.3
359.11401	2.1
371.17081	25.1
372.17535	1.6
373.12891	32.6
373.25781	1.5
374.13391	1.7
389.21649	1.5
535.18304	1.5
745.30414	48.8
746.30896	7.8
746.80731	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	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.3
57.03442	1.2
58.00587	4.9
59.01378	100.0
60.01706	0.9
61.98828	29.2
66.77071	0.8
67.02745	0.9
69.58491	6.6
71.01381	78.1
71.30876	0.9
72.01720	0.9
72.23495	1.0
72.99309	6.3
73.02931	2.2
83.01376	2.3
85.02953	11.2
87.00872	5.3
87.83247	0.8
89.02442	97.2
90.02734	1.0
93.03438	1.1
95.01388	6.4
98.19926	1.8
101.02443	37.9
107.01398	1.4
108.02200	1.8
113.02446	31.7
114.57764	1.1
116.92815	1.2
117.03475	2.7
119.03498	41.0
119.11663	1.1
121.02909	2.8
122.03731	3.3
123.00848	1.8
123.04525	2.5
125.02448	2.9
131.03490	4.9
133.02937	2.7
133.22574	0.9
134.03699	1.6
134.85602	1.0
135.04491	1.9
136.01665	13.9
137.02414	3.3
143.03503	8.5
143.04552	1.5
145.02946	11.7
146.03673	2.2
147.04520	1.8
149.02426	3.9
149.04561	3.1
150.03232	18.1
151.00369	6.2
151.04024	13.7
155.10727	1.2
161.02431	12.0
161.04553	8.2
161.05818	1.7
162.03229	42.0
163.00371	1.5
163.03665	2.9
164.04715	1.6
165.05580	20.0
166.02684	13.6
166.58826	0.8
167.03171	0.9
169.01367	2.1
175.04025	1.0
177.01930	1.7
177.05554	24.7
178.05965	1.9
179.05605	22.1
179.07167	1.2
180.04263	4.3
181.05070	15.8
184.19870	1.0
187.03938	1.0
193.05132	1.2
195.06593	22.1
196.06894	1.1
201.01718	1.1
201.18802	1.1
205.04903	1.4
211.04022	1.3
213.05742	1.2
222.63564	1.0
227.03513	1.6
229.05066	3.1
255.03018	1.8
257.04419	2.5
269.04468	1.6
271.06165	1.3
285.00931	1.5
285.04044	24.2
286.04282	2.1
294.93433	1.0
297.04080	1.7
304.78088	1.0
357.09134	1.4
357.13034	2.5
369.13397	1.6
387.14496	14.8
388.14822	2.1
459.09375	10.6
460.09265	1.4
523.34937	1.2
547.19586	10.6
583.22003	3.9
660.12396	1.2
683.23517	2.8
690.03809	1.0
745.26434	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03452	0.9
58.00606	2.4
58.91214	0.8
59.01377	61.5
61.98832	21.1
71.01377	42.4
72.99326	3.2
73.02943	1.6
78.91878	1.1
79.09337	0.7
79.91894	0.7
83.01414	1.4
85.02941	6.8
87.00874	3.8
87.36976	0.6
89.02442	54.8
90.02791	0.7
94.46322	0.6
95.01387	2.5
101.02437	23.1
108.02230	0.8
109.02985	0.9
113.02448	18.5
117.03455	1.4
119.03498	25.4
121.02968	1.9
122.03741	1.5
123.00919	1.1
123.04543	0.9
125.02460	1.6
131.03487	2.7
133.02950	3.4
134.03748	2.2
135.04527	2.1
136.01653	10.2
137.02403	2.6
143.03529	5.3
145.02954	6.3
146.03694	2.0
147.04503	2.3
149.02463	1.3
149.04553	2.0
149.05923	0.6
150.03276	1.1
151.00369	3.1
151.04001	9.5
161.02444	7.4
161.04509	4.8
161.05737	0.6
162.03218	100.0
163.03564	5.4
165.05505	1.9
166.02701	7.5
177.05559	99.7
178.05930	3.2
179.05597	10.8
179.07059	1.3
180.04326	2.8
181.05061	8.8
193.04959	0.8
195.06642	6.6
266.32681	0.7
273.43973	0.7
357.12598	2.6
372.11893	1.3
387.14444	13.2
388.14801	1.1
459.34552	0.9
460.34924	0.9
461.35010	1.3
522.35034	1.2
537.38043	0.8
547.19812	2.7
676.01978	1.0
683.23212	0.8
745.27234	2.7
746.26080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
56.16232	0.7
56.53726	0.6
57.03448	1.9
58.00595	5.7
59.01377	100.0
60.01712	1.1
61.98828	39.3
67.01903	0.8
71.01380	73.2
71.53534	1.0
72.99321	6.3
73.02959	2.0
75.87965	0.7
77.15585	0.7
83.01391	3.3
85.02945	11.9
87.00869	7.2
89.02441	99.9
90.02753	2.0
93.03463	1.5
95.01377	4.9
96.95983	1.6
99.00851	1.0
100.84267	0.8
101.02438	38.5
101.03107	1.9
102.02771	0.8
103.49760	0.7
107.01403	1.5
107.03474	0.8
107.48834	0.7
108.02164	2.2
109.02939	1.6
113.02449	31.3
114.02741	0.9
116.92844	2.0
117.03466	1.9
119.03497	39.7
120.03848	0.9
121.02946	3.6
122.03683	3.6
123.00874	1.3
123.04545	1.4
125.02420	3.1
131.03496	5.4
132.52159	0.8
133.02995	3.7
134.03764	1.0
135.03026	1.1
135.04509	3.1
136.01654	13.1
137.02493	4.0
143.03493	8.5
145.02957	10.3
146.03668	2.7
147.04460	1.4
149.02373	3.4
149.04468	2.5
150.03221	18.5
151.00381	5.3
151.04007	16.2
160.05214	1.0
161.02434	9.9
161.04518	7.2
162.03223	43.7
163.03654	2.2
164.04726	0.9
165.01898	1.0
165.05553	17.0
166.02722	13.8
169.01416	1.6
171.04547	0.9
177.01826	1.4
177.05577	26.3
178.05859	0.9
178.18216	0.8
179.03392	0.8
179.03787	1.0
179.05602	20.3
179.07184	1.0
180.04277	4.0
181.05052	16.6
190.06305	1.0
191.03415	1.3
192.04253	1.3
193.04968	1.5
195.06612	19.8
196.06880	1.3
201.05620	1.2
204.41240	0.9
209.00894	0.8
211.03972	1.7
224.41182	0.7
227.03458	2.3
229.05009	3.7
255.02859	1.5
257.04449	1.5
269.04529	2.0
271.06140	1.0
280.07663	0.8
285.04025	21.8
286.04233	2.4
300.99747	1.4
315.05295	1.3
339.08594	1.0
357.09003	1.0
357.12256	3.0
369.13208	2.7
372.11972	1.6
387.14447	13.2
388.14584	1.6
430.33820	1.0
459.09427	8.4
460.09433	1.2
460.34430	1.5
461.35178	1.0
521.33929	0.8
522.34357	2.3
547.19849	10.7
548.19635	1.6
583.21155	3.0
683.22583	2.4
745.13501	1.1
745.26025	3.7
777.47852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	13.5
60.99321	2.1
61.98832	53.2
68.05099	2.3
70.01193	1.9
71.01398	6.0
71.53235	2.8
75.00875	6.1
78.87733	2.2
79.95746	2.1
83.01385	2.8
88.98804	4.7
90.38549	1.6
93.03433	3.6
95.01363	2.9
96.96024	16.6
101.02460	3.2
103.56039	1.8
105.03498	1.9
108.02145	9.5
109.02953	90.7
110.03329	2.7
113.02484	1.9
120.02171	3.6
121.02952	9.7
122.03738	6.0
123.00862	6.8
123.04513	13.6
124.01674	4.5
125.02442	7.0
131.96411	2.4
132.02184	1.8
133.02957	4.5
134.03755	7.8
135.04544	4.5
135.17215	1.8
136.01675	45.1
137.02451	26.7
138.02913	2.1
145.02934	3.4
146.03645	2.4
146.98787	1.9
147.04535	2.8
147.82419	1.8
148.01654	22.5
149.02449	12.0
149.06073	3.3
150.03235	16.5
151.00450	2.5
151.04021	44.9
152.01141	3.5
153.05574	24.4
159.04369	2.4
161.02440	11.6
161.06207	2.7
162.03215	9.5
163.04015	93.9
164.01163	25.2
164.04568	6.5
165.01936	46.2
165.05563	7.2
166.02718	30.3
167.03458	7.2
169.01404	5.3
175.04008	2.5
177.01913	6.2
177.05576	13.8
178.02701	19.7
179.03456	15.6
181.05067	100.0
181.08603	2.9
182.05409	3.9
187.03995	2.4
193.01379	2.4
193.05064	51.4
194.05827	4.1
195.06602	4.7
203.07201	4.0
205.05115	3.5
208.54037	1.8
209.04538	4.9
209.11827	3.4
211.06110	25.7
253.05225	2.0
260.32278	2.0
283.06146	2.2
285.03989	5.2
299.09259	2.3
300.99698	2.7
314.07870	2.2
327.21701	3.0
329.10208	2.2
353.10278	8.9
371.11462	14.7
375.27029	2.6
388.11700	6.5
389.12302	7.7
503.17126	3.1
505.14597	2.4
523.16046	14.4
533.18079	27.2
534.18457	2.7
535.16071	9.7
536.16058	2.4
551.19165	15.7
552.20270	2.4
553.17078	26.9
554.17236	4.5
565.17151	26.7
566.18512	2.5
582.17163	7.7
715.24408	3.7
744.41907	2.5
745.25311	9.9
745.39728	45.0
746.40454	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	745.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98821	0.7
63.02394	1.3
65.00313	0.6
68.07779	0.2
71.01387	0.5
71.53298	0.2
79.01866	0.3
83.01395	1.1
85.02927	0.3
89.02435	0.5
91.01872	0.4
93.03465	1.8
95.01366	0.4
96.95997	0.3
97.02949	0.2
101.02492	0.4
103.03992	0.2
107.01385	3.1
108.02186	0.2
109.02946	1.0
117.03456	0.5
119.01377	0.2
119.03477	0.2
121.02928	0.3
123.00878	1.5
123.04531	0.2
125.02460	2.9
130.04274	0.2
131.05022	0.2
133.02907	0.3
135.00891	0.7
135.02980	0.5
137.02431	0.3
139.00345	0.4
143.05008	1.2
145.02971	0.7
145.06526	0.2
151.00359	4.7
152.00981	0.2
153.01939	0.3
154.04242	0.3
157.06566	0.8
159.04480	1.3
161.02443	0.4
163.00349	1.9
164.01112	0.5
165.01907	0.6
167.05016	0.6
168.00624	0.3
169.00002	0.3
169.01416	4.6
169.06580	0.7
171.04488	0.7
173.02466	0.3
173.06039	0.3
183.04495	0.4
184.05170	0.2
185.06071	2.5
187.03983	2.9
189.05533	0.7
192.00620	0.2
195.04527	0.4
196.05286	0.4
197.06088	0.9
199.03990	0.8
201.05545	0.7
211.04016	1.5
212.04504	0.2
213.05531	1.8
214.02701	0.5
215.03561	0.3
217.24303	0.2
223.04054	0.2
227.03513	2.0
229.05031	9.3
230.05348	0.5
239.03476	1.2
240.04237	0.6
241.05011	1.7
243.02890	0.2
255.03036	0.8
256.03696	0.6
257.04532	7.0
258.04785	0.5
267.02963	0.6
271.02386	0.2
284.03262	0.4
285.04022	100.0
286.04361	6.9
300.02701	0.3
301.03372	0.3
354.38348	0.2
369.93097	0.2
459.11417	13.5
460.11783	1.5
463.08670	0.4
593.15375	0.2
745.16010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
60.77016	0.1
61.98827	100.0
71.01381	1.1
72.99303	0.2
75.00893	0.3
85.02946	0.2
88.98817	0.1
89.02428	1.5
89.02849	0.1
89.89703	0.1
90.02751	0.1
101.01875	0.1
101.02470	0.5
113.02454	0.5
119.03513	0.6
125.02450	0.2
130.35664	0.1
133.02936	0.3
137.02516	0.2
143.03496	0.2
145.02924	0.2
160.01630	0.2
161.02396	0.7
161.04489	0.2
171.12154	0.1
175.03967	0.1
179.03580	0.2
179.05655	0.7
180.05988	0.2
202.05614	0.1
440.31982	0.2
457.33621	0.2
681.21973	0.7
682.21973	0.2
744.38550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.7
60.01715	0.3
61.14568	0.2
61.98827	100.0
69.54989	1.6
69.60532	0.2
71.01378	2.2
71.05032	0.7
75.00884	0.4
79.25024	0.2
85.02949	0.5
87.44953	0.2
89.02436	2.0
93.03461	0.3
95.01370	0.3
96.96062	0.3
101.02445	1.2
107.91312	0.2
113.02446	0.8
119.03490	0.9
125.02442	0.7
135.03021	0.4
135.04578	0.3
150.03238	0.7
151.00389	0.4
161.02434	0.5
161.04651	0.5
165.05583	0.9
169.01422	0.6
179.05574	1.3
183.13861	0.3
191.05788	0.3
195.06570	0.6
211.75996	0.3
227.03493	0.3
229.05061	0.8
255.02997	0.4
285.04169	0.5
365.14090	0.3
378.28757	0.3
393.31754	1.0
394.32004	1.3
420.30399	0.3
426.30884	0.9
427.31900	0.4
428.32654	0.5
444.31824	0.3
457.33374	0.5
458.33884	1.4
459.09204	0.6
459.34592	3.5
460.35080	7.3
469.04749	0.3
475.08942	0.3
492.34085	0.6
503.33533	0.9
504.34045	1.9
521.34686	2.2
522.35059	5.9
523.35907	0.4
535.20123	0.5
578.65735	0.3
626.27020	0.5
744.28668	0.3
745.14703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01369	1.4
60.99323	0.3
61.98829	39.9
63.02398	1.1
63.79453	0.3
65.00311	0.4
67.01880	0.6
68.99746	0.3
69.03436	0.4
69.28736	2.7
71.01382	2.4
72.99313	0.4
73.02967	0.5
75.00845	0.3
78.91893	0.5
79.01883	0.6
83.01388	1.0
85.02939	1.0
87.00902	0.5
88.98798	0.6
89.02439	0.9
91.01895	0.6
93.03448	2.3
95.01392	1.1
96.96028	0.4
97.02934	0.8
99.00868	0.3
101.02428	0.9
102.26630	0.3
107.01392	4.4
108.02169	0.9
109.02950	1.5
111.00823	0.5
113.02444	0.7
117.03477	3.4
119.05025	11.3
120.05399	0.3
121.02946	1.1
123.00870	4.4
123.04501	0.6
124.01747	0.4
125.02439	13.0
127.00389	0.4
131.04990	0.4
132.02206	0.5
133.02954	3.3
133.06564	0.4
134.03680	0.6
135.00862	0.9
135.03056	0.5
135.04526	2.6
136.01619	0.8
137.02429	0.8
138.03159	0.4
139.00365	1.0
140.01193	0.3
141.01917	0.4
143.05014	1.4
145.02950	12.0
145.06633	0.5
149.02417	0.6
150.03203	0.4
151.00381	6.7
151.03984	1.1
152.01143	1.1
152.04187	0.4
153.02020	0.5
157.06578	1.1
159.04510	1.1
160.01616	0.5
161.02451	8.6
161.06104	1.1
162.02782	2.1
163.00391	1.6
163.04002	12.3
164.04465	0.4
165.01904	1.0
165.05530	0.4
165.20789	0.4
166.02676	0.3
167.03593	0.3
167.04951	0.5
168.00623	0.9
169.01418	24.1
169.06555	0.8
170.01730	1.1
171.04514	0.5
173.06116	0.5
175.04001	0.9
177.01910	0.4
177.05550	1.2
179.03484	2.4
179.05632	0.4
180.04118	0.7
183.03041	0.4
183.04475	0.6
183.13918	0.4
185.06059	2.6
187.03983	2.7
189.05547	0.9
191.03482	0.4
193.01411	1.0
193.05037	1.0
195.04613	0.5
195.06534	0.5
197.06082	0.7
199.03957	0.9
201.05565	0.9
205.04985	0.6
209.11807	1.1
211.02245	0.6
211.04010	1.5
212.04590	0.4
213.05574	1.4
215.03337	0.6
217.05016	0.5
225.11418	0.3
227.03482	2.5
229.05049	7.2
235.02573	0.4
235.06113	1.4
239.03436	1.3
240.04269	0.7
241.05019	1.2
241.10756	0.4
251.05659	0.4
255.03018	2.9
256.03754	1.0
257.04535	4.7
267.02847	0.6
284.03299	3.1
285.04037	100.0
286.04382	6.6
289.07269	0.5
295.04694	1.6
295.07864	0.4
300.99884	0.4
307.08240	2.5
313.05508	1.0
315.05112	0.5
323.07639	1.1
324.08008	0.6
362.28116	0.3
378.66577	0.3
430.38043	0.4
449.92233	0.3
459.09308	44.1
460.09564	4.7
518.17712	0.4
522.35120	0.4
523.35309	0.4
593.12903	5.0
594.13257	0.5
681.21753	1.1
682.22137	10.3
683.22729	1.2
745.14282	0.6
745.27496	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	744.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28346	0.6
59.01368	5.2
61.98830	100.0
69.42781	1.2
69.43200	2.9
71.01382	4.8
85.02950	1.1
87.00901	0.7
88.98811	0.7
89.02452	4.5
101.02446	1.6
105.03436	0.9
107.05001	0.7
109.02932	1.1
109.91264	0.6
113.02447	1.1
117.03472	0.9
119.03498	1.7
121.02984	0.8
125.02446	0.6
132.02174	0.8
133.02962	28.9
134.03677	2.1
135.04524	21.6
136.01665	8.2
137.02429	1.3
145.02959	0.7
146.36948	0.5
149.06096	1.5
151.04019	8.4
159.04500	0.6
160.01683	0.9
161.02441	82.7
162.02782	3.5
163.03949	0.7
170.40347	0.5
173.06102	0.5
175.04010	2.1
176.04753	0.9
177.01935	0.7
177.05577	3.3
178.02740	0.8
179.03497	15.2
179.05576	1.6
189.05573	0.9
191.07143	1.0
193.05074	1.6
194.57092	0.6
203.03477	1.2
210.73952	0.5
218.67044	0.6
221.04564	2.3
233.04434	0.6
313.10791	1.8
323.07675	13.9
324.08118	0.9
327.12387	2.0
335.43875	0.5
343.11798	1.6
345.91287	0.6
357.13342	0.9
364.35428	0.6
521.34503	1.2
522.34900	1.3
535.78461	0.6
681.21820	89.8
682.22131	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	743.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01436	0.4
57.03440	0.4
59.01379	14.9
60.99313	1.2
61.98829	100.0
62.98536	0.4
63.99268	0.6
65.34660	0.4
69.42672	3.1
71.01381	6.2
71.05023	1.2
72.99311	0.9
73.02962	0.8
73.86255	0.4
75.00845	1.9
83.01410	0.7
83.05025	0.6
85.02971	1.8
85.06562	0.4
87.00863	0.7
88.98811	1.9
89.02445	9.3
93.03468	1.0
96.96024	0.6
97.06578	0.5
98.19955	0.8
101.02444	4.7
102.66855	0.4
108.02180	0.5
108.39159	0.5
109.06588	0.9
113.02459	3.5
119.03502	4.4
119.05041	1.2
121.03010	0.5
123.00913	0.9
123.04527	0.6
125.02462	1.9
131.03522	0.7
133.02956	1.5
134.03760	0.7
135.02992	0.8
135.04514	2.0
137.02458	0.9
143.03505	1.4
145.02942	0.8
149.04552	0.4
150.03178	0.5
153.81262	0.5
160.01665	0.6
161.02466	2.9
161.04561	1.4
163.04025	1.0
164.04768	0.6
168.00713	0.5
169.01347	2.1
175.03952	0.5
177.02017	0.5
179.03508	1.4
179.05621	5.6
191.05576	2.3
193.05022	0.5
193.36235	0.4
203.03455	0.4
227.03517	0.7
273.04028	1.0
284.03409	0.4
285.04202	0.6
300.02692	0.4
300.99686	0.6
301.03793	0.6
309.22385	0.5
355.26581	0.9
367.10471	0.7
379.26361	0.4
393.27805	0.7
395.29541	2.7
396.29935	0.6
397.31332	0.5
409.31354	1.1
411.32935	0.7
413.30545	5.4
414.31393	0.6
423.32883	0.8
425.30838	1.3
427.32162	3.3
428.32672	1.4
429.33694	16.7
430.34009	2.6
439.32565	1.0
441.33618	7.1
442.34103	0.9
459.34686	6.7
460.35333	0.8
471.31021	0.7
473.32605	6.7
474.33212	1.0
477.35104	0.5
485.32706	2.8
503.34003	3.2
519.33600	0.6
520.33777	1.4
521.34723	15.4
522.34796	2.4
533.35138	0.5
563.35864	1.4
564.36536	0.4
581.12946	0.5
607.24554	0.5
743.31848	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	743.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03461	0.9
58.00586	2.0
59.01381	58.5
60.01715	0.8
60.99298	2.5
61.98841	3.3
65.64580	0.6
71.01381	20.5
71.05030	7.2
72.99292	1.3
73.02975	0.7
75.00905	1.3
83.01395	0.9
83.05018	0.9
85.02961	3.6
85.06577	0.9
87.00889	0.9
89.02444	24.4
95.01414	1.7
98.19846	1.4
101.02436	14.7
107.61414	0.7
113.02453	11.2
116.07648	0.7
119.03503	12.5
123.99509	0.7
131.03485	1.7
143.03502	3.7
149.04523	1.0
161.04544	4.6
179.05605	15.8
186.61160	0.9
205.15942	1.9
229.48572	0.9
361.25443	1.2
377.28378	8.0
391.26324	0.8
393.31613	26.2
394.31738	4.1
407.29297	2.2
409.31265	2.7
411.32574	4.5
425.30576	19.5
426.30869	1.4
427.32126	6.8
437.30533	3.7
438.30859	0.9
441.33731	2.9
443.31738	1.0
455.31662	1.5
457.33176	1.4
459.34787	100.0
460.35068	12.6
477.35910	2.0
481.29114	0.9
485.33090	1.0
491.33789	7.0
503.33823	23.2
504.34149	2.7
521.34814	77.5
522.35120	10.3
535.36346	1.1
547.32910	1.5
563.35608	1.0
626.74902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90493	1.0
57.03457	1.6
58.00592	4.7
59.01379	100.0
60.49794	1.0
61.58389	1.1
61.98830	91.1
66.77341	1.1
69.29009	7.2
69.29416	2.1
71.01382	66.9
72.99308	4.3
83.01385	2.0
85.02954	12.5
87.00884	4.1
87.04526	5.5
88.98820	1.0
89.02444	91.6
95.01389	4.9
101.01794	2.0
101.02448	31.0
113.02448	26.4
119.03506	35.9
131.03506	5.3
131.75615	1.0
133.02994	6.6
135.04514	6.7
136.01639	2.1
143.03484	9.7
145.02954	3.0
149.04524	3.0
151.03941	2.3
161.02461	21.6
161.04517	9.8
163.03940	1.3
179.03534	3.3
179.05614	45.4
180.05911	1.2
307.08313	1.5
320.70804	1.1
323.07626	3.5
441.33664	1.7
459.34760	4.2
503.34210	1.8
521.34869	3.5
651.55188	1.1
681.21844	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88359	0.6
57.03429	0.7
58.00589	2.0
59.01378	50.5
60.99312	4.8
61.98829	3.2
68.22790	0.6
69.22192	5.2
71.01381	16.1
71.05025	3.7
71.41398	0.5
72.99311	1.2
73.02943	1.4
76.36615	0.6
78.04501	0.6
83.01405	0.8
83.05001	0.7
85.02959	3.6
87.00864	0.9
88.01242	0.5
89.02444	22.8
91.19954	0.5
95.01369	1.8
97.02958	0.6
98.19872	1.3
101.02437	10.5
113.02454	9.9
113.06050	0.7
114.54180	0.5
119.03493	12.1
119.08745	0.6
125.02439	0.8
131.03450	1.4
133.02904	0.6
135.03036	0.8
143.03510	2.9
147.36147	0.5
149.04565	1.6
150.47076	0.6
151.11801	0.6
161.02504	0.6
161.04517	5.3
166.41731	0.5
168.00645	0.6
179.05606	13.8
197.74350	0.6
205.15892	1.0
263.23880	0.6
268.10400	0.5
273.04010	1.3
275.39456	0.6
377.28506	4.4
393.31613	14.5
394.31851	2.0
409.26816	1.1
409.31686	1.3
411.32715	3.5
412.41245	0.6
419.29468	1.1
425.30609	9.3
426.31088	1.1
427.32077	5.9
434.76694	0.6
435.05533	1.0
437.30573	2.2
439.32156	3.6
441.33725	1.4
455.31345	1.2
457.33237	2.9
459.34778	57.4
460.35117	8.5
473.32947	1.2
475.34335	1.2
477.35635	1.0
491.33749	9.4
492.34384	1.3
501.02377	0.6
503.33826	18.9
504.34344	2.8
521.34808	100.0
522.35132	16.3
535.36603	1.3
547.32806	0.8
547.93158	0.6
563.35773	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	741.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.8
61.98825	1.8
69.21653	3.3
69.22066	2.1
71.01384	3.7
73.02943	0.9
78.95897	3.3
83.01387	1.0
83.05025	2.5
83.64063	0.6
85.02940	1.2
87.31495	0.6
89.02455	3.2
95.05043	0.6
96.15316	0.6
98.20614	1.2
101.02463	3.8
113.02449	2.3
125.02428	0.7
125.06091	0.6
125.09730	1.5
127.11309	1.5
145.05017	0.7
152.99571	3.1
155.10680	1.0
155.54349	0.5
161.04565	2.1
163.11288	1.8
165.12791	1.2
171.10275	1.9
172.10612	1.3
178.89307	0.6
201.11325	35.4
202.11630	1.9
209.11821	79.6
210.12163	5.0
222.41124	0.7
225.11324	1.0
227.12918	10.9
235.08202	6.6
253.09280	14.8
253.21716	2.5
277.21710	100.0
278.22067	11.2
279.22501	0.7
283.26535	0.7
306.20682	0.7
306.24216	0.6
342.38489	0.7
437.20230	1.2
445.20569	1.6
461.32892	0.8
505.25705	8.3
513.30273	1.2
741.46393	2.0
742.47266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50788	0.5
59.01384	3.0
59.55766	0.5
61.98831	0.6
62.06345	0.5
70.72243	1.4
71.01376	0.7
78.95902	36.3
86.39082	0.5
91.46561	0.5
95.54585	0.5
96.96970	3.1
116.17011	0.5
141.01717	1.4
142.08299	0.5
150.97986	0.9
152.99585	43.1
155.72163	0.5
171.00652	3.4
227.03252	4.7
232.97470	0.9
233.22739	0.7
245.04237	1.2
253.21732	28.8
254.22087	2.4
255.23361	0.6
275.20236	0.5
277.21707	78.9
278.22037	6.2
313.58374	0.5
413.20895	2.4
463.24768	1.2
487.24490	1.2
505.25711	100.0
506.26120	7.2
536.45483	0.6
702.68567	0.6
741.47144	24.5
742.47192	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	743.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82492	6.1
61.23277	6.7
61.98825	18.3
64.54284	7.0
78.95907	100.0
80.02722	6.6
96.96925	7.8
98.19888	21.1
102.64418	6.5
114.58633	7.7
137.15147	6.7
138.79443	6.8
152.99605	73.3
171.10291	9.9
196.89407	21.3
202.76662	7.5
209.11903	11.4
211.13396	27.7
227.03287	8.1
241.54231	7.6
253.21690	13.6
254.22002	7.7
255.23186	37.5
277.21713	48.6
278.22064	20.4
279.23309	39.0
281.24890	12.7
362.31934	7.1
439.70840	7.3
503.58807	7.6
505.25879	12.4
506.25797	26.0
507.27097	37.8
599.66174	7.0
743.46301	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.9
59.01377	30.7
61.98827	3.6
64.03625	0.6
67.72083	0.6
70.91215	1.6
71.01370	3.7
71.04644	1.4
71.05019	20.2
72.99316	0.9
75.00864	1.4
83.01388	0.9
84.67835	0.7
85.02944	2.2
89.02456	3.2
95.01370	1.2
97.06580	1.3
101.02444	4.6
106.44358	0.6
106.55572	0.8
113.02464	3.4
116.99392	0.6
118.77348	0.7
119.03439	3.5
136.32632	0.7
161.04494	0.8
225.11705	0.6
244.57736	0.6
289.19662	2.5
305.19220	1.1
305.22711	4.4
319.24252	2.1
375.26898	2.5
385.27322	1.5
387.26624	0.7
389.24557	0.9
391.30054	12.6
392.30185	1.4
405.27878	5.2
407.29767	1.8
409.31253	1.9
423.28952	7.4
424.29373	0.7
425.30411	4.6
426.30728	0.9
437.30582	0.9
439.31808	1.7
441.30096	1.0
455.31357	0.9
457.33221	100.0
458.33566	15.6
459.31128	3.9
471.31189	1.2
489.32135	6.9
501.32095	8.3
502.32822	0.9
504.38101	0.7
519.33258	27.6
520.33807	4.6
533.34735	2.0
561.34430	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	741.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.97307	0.8
57.03448	5.3
57.03674	0.8
58.00602	4.2
58.93332	0.8
59.01377	100.0
60.99286	2.1
61.98824	10.4
70.80443	0.8
71.01379	64.5
72.01720	1.3
72.73142	1.0
72.99300	4.7
73.02938	2.0
75.00867	1.3
83.01384	2.6
85.02943	12.0
87.00880	4.6
88.98804	8.1
89.02441	99.3
95.01398	4.0
99.00903	0.8
101.02438	33.2
101.06083	10.8
102.02769	1.0
105.83990	0.8
111.00800	0.8
113.02445	29.0
119.03496	39.3
125.02418	1.5
131.03514	5.5
134.58905	0.8
137.02451	1.0
143.03496	9.3
149.04550	3.4
161.02483	1.3
161.04556	13.3
169.01514	1.1
175.03786	0.8
179.05598	52.8
180.05836	0.9
220.29257	0.8
325.32492	1.1
343.26236	0.9
351.27200	1.3
387.25540	1.7
437.30759	1.3
439.32065	1.2
457.33170	12.4
475.34457	1.6
501.32047	9.8
502.32339	1.8
519.33331	13.5
520.33295	1.5
640.74750	1.1
741.22595	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	741.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.9
59.01377	30.7
61.98827	3.6
64.03625	0.6
67.72083	0.6
70.91215	1.6
71.01370	3.7
71.04644	1.4
71.05019	20.2
72.99316	0.9
75.00864	1.4
83.01388	0.9
84.67835	0.7
85.02944	2.2
89.02456	3.2
95.01370	1.2
97.06580	1.3
101.02444	4.6
106.44358	0.6
106.55572	0.8
113.02464	3.4
116.99392	0.6
118.77348	0.7
119.03439	3.5
136.32632	0.7
161.04494	0.8
225.11705	0.6
244.57736	0.6
289.19662	2.5
305.19220	1.1
305.22711	4.4
319.24252	2.1
375.26898	2.5
385.27322	1.5
387.26624	0.7
389.24557	0.9
391.30054	12.6
392.30185	1.4
405.27878	5.2
407.29767	1.8
409.31253	1.9
423.28952	7.4
424.29373	0.7
425.30411	4.6
426.30728	0.9
437.30582	0.9
439.31808	1.7
441.30096	1.0
455.31357	0.9
457.33221	100.0
458.33566	15.6
459.31128	3.9
471.31189	1.2
489.32135	6.9
501.32095	8.3
502.32822	0.9
504.38101	0.7
519.33258	27.6
520.33807	4.6
533.34735	2.0
561.34430	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	741.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.2
61.98820	3.5
64.42783	0.8
65.73934	0.8
71.01378	4.9
71.12642	0.8
73.02958	0.9
75.00867	1.4
83.01382	1.0
85.02975	2.4
87.00885	1.3
89.02453	2.6
101.02446	2.9
105.03453	1.1
109.02887	0.9
113.02464	3.0
113.86566	0.9
117.03509	1.9
119.05079	1.5
121.02892	1.0
125.02435	2.4
132.02184	2.4
133.02960	38.9
134.03253	1.4
135.03001	2.6
135.04518	12.0
137.02441	1.6
145.03038	1.9
161.02438	100.0
162.02768	3.8
163.03986	2.4
169.01427	2.5
175.04039	0.9
177.01952	1.4
179.03494	9.7
191.05635	2.3
193.05070	1.7
255.02924	1.1
284.03259	1.4
285.03903	2.1
431.09711	1.3
457.33347	1.3
477.21313	5.3
478.21228	1.3
501.32056	1.2
519.33234	7.3
623.27734	1.3
637.25385	1.1
655.25812	6.4
697.27063	56.8
698.27155	9.6
741.30994	1.4
769.93457	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	741.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78048	1.6
59.01373	3.2
61.98836	11.1
69.98518	6.6
72.69273	1.8
72.99294	2.4
79.52043	1.8
83.05035	3.5
84.58078	1.7
88.98811	6.5
104.97583	1.6
110.52808	1.7
131.85855	1.8
134.52754	2.1
147.76845	1.7
163.11263	2.7
166.95787	1.7
184.68237	1.7
209.11816	100.0
210.12222	5.5
227.12856	24.6
253.09268	5.8
445.20813	9.2
446.20862	2.3
506.56064	2.1
528.92859	1.7
621.88641	1.9
673.34369	2.0
741.34583	23.5
742.34302	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	741.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	8.1
75.66428	1.9
78.95903	46.0
83.67418	2.0
96.96944	4.2
100.66650	2.1
112.98524	2.6
134.90686	2.0
152.99573	51.4
171.00658	4.9
171.10310	3.3
192.51248	2.1
227.03152	5.0
253.21719	28.6
255.23320	5.8
277.21692	87.9
278.22086	5.6
279.23486	2.4
283.60394	2.6
408.37531	2.5
457.72260	2.0
487.24725	2.5
505.25699	100.0
506.25995	10.5
615.78149	2.1
741.47278	29.2
742.46545	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	740.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12460	0.1
56.04667	0.1
58.16971	0.1
59.01377	0.4
60.02058	0.1
61.98829	100.0
62.98524	0.2
69.01863	0.1
69.44139	0.8
71.01409	0.2
73.02975	0.1
88.98828	0.2
90.64671	0.1
92.96822	0.1
101.02451	0.2
111.08198	0.1
119.03543	0.1
125.02418	0.2
134.05029	0.1
153.95663	0.1
169.01465	0.2
197.11888	0.3
198.12207	0.2
209.11841	1.1
211.13374	2.5
212.13718	1.0
227.12909	0.2
253.09351	0.4
254.09576	0.2
277.21744	0.2
291.19705	0.2
292.20084	0.2
293.21320	0.2
294.21460	0.1
295.22739	0.9
300.99890	0.2
309.20767	0.4
310.21103	0.3
366.87735	0.1
398.14023	0.1
399.13995	0.2
452.02576	0.1
489.63083	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	740.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43370	0.7
61.67595	0.7
61.98832	100.0
71.52382	1.5
77.62849	0.8
78.95896	4.5
83.15206	0.8
86.00967	0.7
96.97002	0.9
152.99600	5.1
171.10266	2.8
192.88092	0.8
207.10490	1.4
218.22385	0.8
255.23232	0.8
453.15277	1.3
723.41022	1.0
740.41199	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	740.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98829	100.0
62.98545	0.2
69.20482	0.9
69.20817	0.2
71.01350	0.1
83.05037	0.2
98.20724	0.1
107.54668	0.1
118.31187	0.1
145.96295	0.1
161.02480	0.1
261.05820	0.1
273.20963	0.1
279.81174	0.1
519.33368	0.2
679.50909	0.4
680.50543	0.9
740.49286	1.4
741.50159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1882
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
52.50390	0.5
59.01377	1.0
61.46795	0.4
65.00330	1.0
71.01380	1.5
83.01378	1.2
89.02453	1.0
93.03483	0.6
101.02434	0.8
107.01393	1.9
108.02178	1.2
110.58769	0.5
119.05019	0.8
121.02959	0.8
125.02434	1.0
135.00897	0.6
137.02452	0.6
148.01675	1.4
151.00363	6.6
161.02467	1.2
163.00429	0.9
164.01147	0.7
169.01451	0.8
177.01912	1.1
178.99843	3.6
191.05643	2.5
192.00751	0.6
199.03998	0.8
216.04303	1.0
226.02777	1.2
227.03467	2.9
243.00479	0.7
243.02957	11.3
244.03502	0.7
254.02151	2.2
255.02971	28.5
256.03366	1.6
271.02463	62.8
272.02960	5.3
299.01962	2.6
300.02731	100.0
300.99835	1.5
301.03229	10.9
302.03818	0.7
337.09106	0.7
375.13544	0.5
391.03067	1.1
406.72031	0.6
407.63388	0.5
409.19290	0.5
431.95123	0.5
467.03574	1.1
467.53668	0.5
682.36285	0.6
741.18781	66.6
742.19183	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.0
59.01376	6.6
61.98822	5.4
69.03440	0.7
69.77303	2.9
71.01385	9.5
71.05022	0.9
72.99300	1.0
73.02945	2.2
75.00899	0.8
78.95904	5.4
81.03481	0.8
83.05024	1.2
85.02960	1.4
87.00871	1.9
89.02453	3.0
95.05034	0.9
97.02966	2.6
99.00883	4.3
101.02450	4.5
101.03011	0.8
109.06586	3.5
110.03727	0.7
111.00876	0.9
113.02470	2.5
117.23404	0.8
119.03501	0.8
125.02409	0.9
125.09717	3.7
127.11294	1.4
135.08153	0.9
145.05049	1.2
152.99567	2.6
155.10796	0.7
161.04565	1.9
163.11258	4.8
171.10266	46.4
172.10599	1.8
179.05608	0.9
179.10818	0.9
181.08711	1.1
181.12329	3.1
185.11827	0.9
189.09196	1.7
197.11818	4.0
198.12350	0.9
199.09740	4.8
199.13399	9.0
201.11327	7.6
207.10260	19.1
209.11794	2.2
215.12904	3.2
225.11313	32.4
226.11620	1.6
235.08226	5.8
243.12419	4.5
253.09285	10.2
264.34543	0.7
269.21225	1.9
277.21716	100.0
278.22021	8.4
279.22989	1.4
293.21262	1.3
295.22809	1.3
396.45071	0.7
397.16306	0.7
399.00970	0.7
407.19617	0.8
420.17102	0.8
443.19177	2.6
461.20294	6.1
513.30994	1.2
695.39655	1.9
721.41675	5.4
722.41711	1.3
739.42310	27.9
740.43237	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
59.01376	3.9
61.12988	0.4
61.98830	6.7
71.01376	2.7
71.89833	0.3
73.02930	0.8
80.02676	1.2
80.66356	0.3
81.03426	0.9
83.01390	0.7
83.05025	3.8
84.02168	0.5
85.02950	0.7
87.00871	0.4
89.02445	2.4
93.03434	0.3
95.01407	0.4
95.05003	0.6
98.19881	0.8
101.02427	3.3
109.06606	0.6
110.56454	0.3
111.08123	0.8
113.02454	1.3
113.06033	0.4
114.49345	0.3
118.43764	0.3
119.03490	0.6
121.10184	0.6
125.02470	0.7
125.09721	0.3
143.03412	0.3
156.35277	0.3
161.04544	1.3
163.11285	3.5
165.12801	1.7
169.01440	0.5
171.10246	2.8
177.78564	0.3
179.05580	0.6
179.14386	0.7
181.12366	0.6
183.13863	0.5
191.10788	0.5
195.13892	5.8
196.14491	0.6
209.11813	100.0
210.12126	4.9
211.13344	2.1
223.13358	3.7
224.13802	0.4
227.12865	12.5
228.13335	0.8
231.21092	0.7
235.08223	2.1
235.17044	0.6
253.09273	16.0
254.09518	0.6
256.13098	1.0
265.21780	0.3
274.86557	0.3
275.20160	9.5
276.20349	0.5
277.21460	0.4
291.19724	0.5
293.21210	80.2
294.21555	5.5
309.20496	0.4
445.20508	1.0
485.32959	0.6
529.30096	0.6
670.35034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
57.03436	1.8
58.00611	0.4
59.01376	5.3
61.98815	1.1
69.03454	0.8
69.34393	0.5
71.01379	8.4
71.05022	3.5
72.45176	0.5
73.02954	1.0
75.34813	0.4
78.95906	1.2
83.01378	0.8
83.05020	0.7
85.02950	1.5
87.00881	0.9
88.04514	0.5
89.02444	1.8
95.05041	1.4
96.95988	1.9
96.96964	0.5
97.02950	3.4
97.06574	3.5
99.00886	17.1
101.02448	3.9
106.04278	0.5
109.06572	1.6
110.03743	0.6
113.02442	2.2
123.08160	1.8
125.09724	7.7
127.11308	0.7
135.08168	0.6
137.09685	0.6
145.10114	0.5
153.12833	0.9
158.72063	0.5
161.04594	1.1
161.09732	0.6
163.11285	12.2
164.11606	0.5
169.01405	0.6
171.10262	11.8
179.10696	0.9
181.12335	18.8
182.12660	0.5
189.09128	0.7
197.11861	1.1
199.13388	5.7
201.11290	2.2
207.10258	22.7
208.10695	1.2
211.13544	0.7
225.11307	34.0
226.11670	1.5
235.08261	1.7
243.12369	13.1
253.09299	4.0
277.21710	46.5
278.22076	3.7
293.20923	0.6
317.16068	0.6
397.13306	0.6
443.18643	0.6
461.20291	3.5
479.21350	3.2
480.21936	0.7
721.42175	1.3
739.42706	100.0
740.43036	15.0
745.61853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
59.01379	7.2
60.84877	0.6
61.98822	2.2
64.41029	0.6
69.03440	0.8
70.69919	1.6
71.01382	8.3
71.05026	2.5
73.02953	2.1
78.95910	1.9
81.80984	0.8
83.01343	0.7
85.02964	2.0
87.00878	1.9
89.02445	3.2
95.01356	1.3
95.05048	1.5
97.02978	3.4
97.06583	2.1
99.00871	9.5
100.62909	0.7
101.02432	5.4
101.12270	0.7
109.06608	2.5
110.03732	1.1
113.02477	3.5
119.03500	0.9
123.08163	1.6
125.02465	1.2
125.09724	5.8
127.07621	0.9
127.11317	1.3
145.04988	0.8
149.09843	0.7
152.99638	1.7
161.04553	1.5
163.11282	6.4
169.01407	1.0
171.10263	23.1
181.12346	10.1
189.09245	0.8
191.03015	0.7
197.11877	1.8
199.13376	10.6
201.11334	4.6
207.10251	30.2
208.10542	1.5
209.11790	1.2
215.12796	1.3
225.11305	53.6
226.11633	2.2
235.08217	4.0
243.12312	7.4
253.09337	6.6
277.21701	100.0
278.22104	7.1
279.23047	0.7
293.21097	0.7
300.99933	1.1
443.19006	3.4
461.20251	8.3
462.20477	0.7
479.21185	1.1
721.41766	8.8
722.41644	1.4
739.42651	81.7
740.43036	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.2
59.01375	10.8
61.98807	1.8
71.01382	15.1
73.02924	1.8
78.95909	1.8
81.03441	1.3
83.01394	1.7
85.02919	2.1
85.30758	1.1
87.00860	2.5
89.02441	4.4
95.05048	1.8
97.02963	2.6
97.06573	1.5
98.19852	2.3
99.00875	8.5
101.02444	7.2
109.06605	2.4
113.02450	2.6
118.15172	1.2
119.03475	1.3
125.02458	1.4
125.09716	8.3
127.11256	2.7
145.05052	1.5
161.04556	2.2
161.09805	1.2
163.11217	7.1
171.10268	29.8
181.12341	15.5
182.12631	1.3
197.11829	1.9
199.13383	22.7
201.11317	4.0
207.10252	38.3
208.10590	1.5
225.11307	68.6
226.11603	3.7
235.08205	3.3
236.74933	1.4
243.12363	10.9
253.09296	8.3
277.21710	86.4
278.21991	7.4
292.34610	1.2
404.37396	1.3
443.19363	1.9
461.20261	10.8
479.21222	1.7
721.41644	6.3
739.42719	100.0
740.43018	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	739.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73868	0.8
51.74466	0.8
52.36329	0.7
53.21282	0.7
54.14736	0.7
56.35320	0.8
57.03440	2.0
58.00592	1.7
59.01379	36.1
60.99319	0.7
61.98829	6.9
66.52659	0.7
67.01903	1.1
69.03439	0.9
69.51019	5.6
71.01385	12.6
71.05022	11.8
72.99301	4.0
73.02950	4.8
75.00867	2.8
81.03452	0.9
83.01396	1.4
83.05012	0.8
85.02939	3.9
87.00880	3.1
89.02435	9.6
93.03460	7.0
95.01382	2.3
96.96024	1.1
97.02963	1.2
101.02441	9.2
107.01363	1.5
109.02969	1.1
111.04532	1.7
113.02447	5.4
116.97694	0.8
119.03465	4.6
119.04946	1.4
121.02988	1.1
123.00885	1.7
124.01638	1.0
125.02454	15.2
133.02892	1.2
135.02943	1.2
135.04559	1.3
137.02481	1.2
139.00349	1.2
147.08221	0.9
150.03183	0.8
161.02411	3.5
161.04553	1.9
163.03949	1.3
165.01849	0.9
168.00529	0.9
169.01416	16.5
170.01743	0.9
171.10292	2.3
173.04572	2.1
179.05612	3.0
191.05667	1.2
193.01561	1.0
211.02365	1.5
285.04184	1.2
289.07251	1.9
295.04602	1.0
309.21857	0.8
312.64816	0.8
313.05441	0.9
324.17755	0.9
327.33676	0.9
345.22150	1.5
347.23740	1.0
351.23370	1.2
353.24756	1.6
355.24576	1.2
361.21704	2.4
363.23074	1.2
365.24829	1.9
373.26047	6.9
374.25851	1.1
395.29352	1.7
407.29764	1.0
409.31207	1.5
417.28036	5.8
419.29428	5.3
423.28931	0.9
425.30637	18.9
426.31067	1.2
433.27426	3.2
435.28976	1.1
437.30600	30.8
438.30850	3.6
439.28613	1.1
443.31430	1.0
451.28564	1.7
455.31580	14.9
456.31973	1.7
457.29099	1.3
469.29333	1.4
473.32773	5.1
481.29565	1.9
487.30878	4.7
499.30353	2.3
500.30548	1.0
517.31659	100.0
518.31976	12.5
531.32782	1.1
535.31171	8.3
559.32513	3.2
569.09235	1.0
577.32281	25.0
578.32611	3.3
587.10211	2.9
588.10315	0.9
617.07190	1.1
617.18109	0.8
695.34302	12.5
696.35114	2.5
739.11407	6.8
740.11774	1.4
740.66125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
59.01376	16.5
61.10601	0.4
61.98829	1.8
71.01383	1.8
71.05023	1.4
72.23661	0.4
72.99283	1.2
73.02948	0.4
75.00871	0.7
85.02937	1.0
89.02437	1.6
91.78850	0.3
95.01392	0.6
95.05038	0.5
96.95990	1.3
97.02943	0.5
97.06578	0.6
98.19861	0.7
101.02428	1.9
107.01376	0.4
109.02942	1.6
113.02436	1.3
113.06098	0.4
119.03500	1.4
119.04999	0.6
121.02895	0.3
123.00877	0.9
125.02432	4.9
125.40160	0.3
126.02744	0.6
134.03755	0.4
135.02986	0.7
135.04466	0.8
137.02423	1.3
145.02921	0.8
151.00328	0.4
151.04037	0.4
153.01906	1.4
161.02449	2.6
161.04494	0.5
165.05524	0.7
167.07150	0.6
168.21307	0.4
169.01422	3.2
175.03926	0.5
179.03471	0.6
190.58945	0.4
243.06644	1.7
285.03949	2.9
301.00009	0.7
307.20712	0.5
321.22180	3.0
335.23709	0.7
347.11179	0.4
373.25623	0.5
374.31195	0.5
387.25317	1.2
389.26923	26.8
390.27271	2.4
401.27042	1.4
403.24753	2.7
413.26874	0.7
425.30685	0.5
429.30179	5.3
433.25876	0.6
435.10107	0.4
445.29556	1.6
447.13055	0.7
455.31671	5.4
456.32208	0.7
473.32602	9.5
474.32980	0.8
487.30499	0.7
499.30679	2.1
517.31653	100.0
518.32080	12.5
535.31024	0.7
559.32251	0.9
569.14978	0.7
570.15698	0.5
577.32336	0.8
587.10248	1.0
658.15332	0.5
676.23303	0.6
739.10980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87397	0.2
55.97795	0.2
59.01367	0.8
60.99305	16.8
61.98824	2.2
62.35331	0.2
68.44546	0.3
69.57967	1.7
71.01362	0.5
72.99311	1.2
73.02940	0.3
75.00871	0.6
87.00864	0.9
88.00402	1.0
88.98806	100.0
89.02446	9.9
89.99138	1.1
96.96004	0.5
125.02457	0.7
141.01535	0.3
161.02370	0.4
169.01454	0.8
183.03064	0.4
209.11720	0.3
285.03900	0.6
439.82422	0.2
517.31891	0.5
707.93909	0.3
739.24597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
60.99304	16.9
61.98820	0.4
62.91072	0.3
69.27114	0.9
69.27532	1.6
83.76276	0.3
87.00887	0.7
88.00392	0.9
88.04047	0.4
88.98801	100.0
89.02444	12.0
89.99153	0.7
93.79720	0.3
98.20682	0.6
108.84674	0.3
300.42374	0.3
591.17792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10756	0.3
59.01380	1.5
60.99306	17.1
61.98827	2.8
71.01384	0.4
78.95936	0.3
80.96509	0.3
85.02967	0.5
87.00871	1.2
88.00412	0.8
88.98805	100.0
89.02441	7.8
89.99094	0.7
98.19810	0.9
113.02446	0.3
125.02480	0.5
162.63924	0.4
165.57321	0.3
169.01381	0.5
177.87234	0.3
230.28772	0.5
246.79085	0.3
285.04239	0.5
302.08267	0.3
306.50198	0.4
332.95435	0.4
517.31842	0.6
579.30292	0.3
696.35260	0.4
739.26324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95598	1.2
59.01379	31.9
60.99049	1.6
60.99310	16.1
61.98829	54.5
63.99244	1.5
68.17548	1.2
71.01379	4.6
71.29417	2.1
71.29750	2.1
72.99310	10.7
73.02930	1.7
75.00873	4.6
78.95882	1.7
80.96495	3.4
87.00874	4.6
88.00397	1.8
88.98804	100.0
89.02457	15.3
93.03442	2.2
96.96001	5.7
101.02451	3.4
113.02462	2.2
117.68683	1.3
119.03411	1.2
119.04992	1.3
125.02459	3.8
136.01711	1.4
137.02379	1.9
143.68666	1.3
151.00171	1.6
151.03963	2.1
161.02510	2.5
169.01448	4.2
209.11746	2.2
219.48825	1.5
300.99850	1.7
402.03461	1.3
437.30765	2.2
455.31494	2.3
499.30469	2.0
517.31659	63.0
518.31897	9.1
559.32770	2.5
619.38885	1.8
679.40033	3.7
680.40381	1.7
739.33838	3.3
740.32233	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	739.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86454	0.6
57.16578	0.6
59.01371	3.6
65.00333	0.6
69.25552	5.9
75.00864	0.7
77.46785	0.5
83.01365	0.9
85.02950	0.9
87.00867	0.8
89.02460	0.9
94.98368	0.7
95.01459	0.7
101.02459	1.4
107.01411	1.7
108.08871	0.6
109.02953	0.8
111.00835	0.6
113.02415	0.7
119.03499	0.6
123.00844	0.8
123.04551	0.9
125.02449	3.3
132.02219	1.4
133.02934	1.0
135.03029	1.9
135.04457	0.8
137.02411	0.7
138.03127	0.7
151.00417	4.0
151.03955	1.1
161.02426	1.5
163.00314	0.6
164.01115	1.3
169.01405	2.7
176.01302	0.7
177.01880	1.3
178.99834	2.1
187.04042	0.7
189.02072	0.9
191.05568	0.9
202.90211	0.8
205.12376	0.7
211.03978	2.0
227.03479	43.5
228.03937	2.9
229.05002	2.1
239.03352	1.0
249.11327	1.0
255.02975	79.1
256.03513	8.9
257.04337	1.6
283.02527	1.9
284.03247	100.0
285.03891	15.1
286.04239	0.6
300.99893	1.2
327.05338	0.7
341.06647	0.8
367.21399	0.6
451.10294	1.1
507.10074	0.8
569.11499	0.7
575.13885	0.9
587.11768	0.7
611.95874	0.7
739.20789	76.6
740.21198	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	739.1877
Annotation	Kaempferol 3-(4''-(E)-p-coumarylrobinobioside)
Peak:m/z	Relative Intensity
59.01384	1.3
61.98832	1.7
63.02391	0.4
65.00326	0.5
71.01372	0.4
71.53117	0.3
83.01386	0.6
85.02941	0.3
89.25924	0.2
93.03465	0.9
95.01390	0.2
96.09908	0.2
101.02397	0.3
107.01370	1.2
109.02954	0.5
111.35831	0.2
117.03463	2.9
119.05016	0.9
121.02944	0.2
123.00829	0.3
125.02428	0.5
133.02965	0.8
135.02979	0.3
135.04512	0.5
136.24930	0.2
137.02458	0.6
143.05023	0.2
145.02946	5.3
146.03297	0.4
150.15912	0.2
151.00352	2.1
153.01959	0.3
154.04172	0.3
154.27847	0.2
159.04486	0.6
161.02467	1.5
163.00400	0.6
163.04001	0.5
164.01080	0.2
165.01935	0.3
165.04041	0.2
165.05492	0.2
167.05011	0.2
169.01408	0.7
169.06522	0.3
171.04530	0.4
173.02380	0.3
179.03484	0.3
183.04561	0.4
185.02328	0.2
185.06088	1.1
187.03993	0.8
191.05614	0.4
205.05005	0.3
211.04013	0.7
213.05499	0.6
214.02649	0.3
227.03474	2.8
228.03845	0.4
229.04959	1.2
239.03452	0.6
240.04277	0.3
241.05089	0.5
243.02953	0.3
255.02957	7.0
256.03528	0.8
257.04541	0.6
268.03897	0.2
283.02460	3.6
284.03186	5.0
285.04022	100.0
286.04352	6.4
301.18781	0.2
307.08179	0.6
327.05048	0.4
431.09949	2.1
432.09998	0.3
455.31546	0.4
473.32581	0.6
517.31732	2.4
593.12976	32.1
594.03784	0.2
594.13367	4.9
658.14697	0.7
739.19452	0.3
739.32373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
60.57431	0.2
60.99303	0.2
61.98826	3.3
65.00332	0.6
67.01883	1.1
68.99813	0.3
69.03464	2.0
70.53914	0.7
71.01385	3.1
72.99296	1.2
73.02959	0.4
75.00872	1.3
79.01894	1.4
81.03456	0.9
83.01392	1.1
85.02951	0.9
87.00868	0.8
87.13251	0.2
88.98804	2.5
89.02449	0.8
93.03455	1.2
95.01392	3.7
95.05023	0.4
96.95993	0.6
96.99322	0.3
97.02948	2.4
99.00871	0.7
101.02434	0.8
105.03441	0.6
107.01395	13.2
107.05035	0.7
109.02940	0.6
110.00102	0.4
111.00896	3.1
113.02425	0.8
116.52745	0.3
117.03455	0.9
119.05028	0.5
121.02956	20.8
122.03183	0.4
123.00893	14.4
123.04534	0.6
124.01718	1.1
125.02447	73.9
126.02789	2.5
127.00392	1.3
131.05002	0.3
133.02931	0.8
133.06633	0.3
133.91544	0.2
135.04561	1.6
136.98820	1.4
137.02431	1.3
139.00372	5.6
139.03931	0.4
140.01163	4.3
141.01921	1.3
143.03490	0.5
143.04962	0.3
145.02971	2.3
147.04474	0.5
149.02443	1.2
149.06035	0.3
151.00377	7.3
151.04036	1.2
153.01900	1.4
159.04533	0.5
161.02451	5.2
162.03052	0.4
163.03976	1.5
165.01924	1.2
165.05591	0.5
166.02708	1.0
166.06287	0.6
166.99857	2.5
167.03427	0.8
168.00642	6.7
169.01421	100.0
170.01758	4.5
173.02411	0.7
175.03995	0.7
177.01968	1.9
177.03465	0.3
177.03989	0.2
177.05504	0.3
179.03487	7.0
180.03723	0.5
181.08626	0.4
187.04027	0.5
189.01933	0.5
189.05531	0.7
190.02684	0.7
191.03508	1.9
193.01419	2.9
193.05127	0.3
195.03017	0.3
201.11383	0.4
203.03548	0.3
205.01360	1.2
205.05052	0.7
207.03061	1.3
209.04623	0.5
209.11887	0.4
211.02348	0.6
217.01373	0.4
221.00917	0.7
223.02420	0.6
233.04480	1.3
235.02469	1.1
251.05350	0.5
277.03583	0.7
295.04608	2.0
296.04999	0.3
323.07751	0.8
335.62515	0.2
341.06433	0.3
347.07452	0.4
355.08173	0.8
357.06366	0.3
373.09207	0.5
399.07184	5.3
400.07440	0.7
401.08731	0.6
403.06659	0.3
417.08237	27.7
418.08569	2.7
435.09802	0.7
455.31732	0.3
469.11115	0.4
473.32831	1.6
485.92004	0.3
511.50903	0.3
517.31836	2.9
525.10376	7.3
526.10815	1.0
557.16705	0.5
559.33154	0.3
569.09326	47.7
570.09753	7.0
570.17694	0.2
587.10425	7.7
588.10626	1.2
695.35529	0.5
707.34698	0.4
738.23846	0.3
739.11761	13.7
739.24945	2.5
740.11584	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
60.99308	0.5
61.98830	100.0
63.99245	0.3
71.01406	0.2
72.67326	0.2
80.96507	0.2
85.48446	0.2
88.98804	2.3
89.02462	0.2
89.99127	0.2
91.70448	0.2
96.96050	0.2
125.02441	0.2
125.36154	0.2
133.81226	0.2
150.53143	0.2
169.01360	0.2
191.05688	0.2
201.47995	0.2
207.10098	0.2
210.12335	0.2
225.00879	0.3
330.73547	0.2
402.25085	0.2
665.09155	0.2
738.30579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95477	0.1
59.01372	0.2
61.98829	100.0
62.98518	0.1
85.76460	0.1
96.20707	0.1
100.25410	0.1
101.02465	0.1
125.31268	0.1
132.49126	0.1
174.87465	0.1
179.82933	0.1
181.82570	0.1
187.34773	0.1
196.57767	0.1
209.12025	0.1
222.02586	0.1
271.77542	0.1
277.21719	0.1
278.22192	0.1
331.96362	0.1
397.13956	0.1
398.14047	0.1
399.14270	0.1
476.89673	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	738.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98829	100.0
62.98555	0.1
68.09218	0.1
71.01356	0.2
77.15523	0.1
101.02426	0.1
104.14362	0.1
209.11833	1.7
227.12917	0.2
229.08205	0.1
253.09319	0.2
278.22198	0.2
279.22632	0.1
293.21237	1.1
399.13858	0.1
519.52936	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	739.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77598	0.3
57.32132	0.3
59.01379	2.5
60.99342	0.4
61.98830	3.5
65.00316	0.4
65.03983	0.3
66.99020	0.3
67.01891	1.7
68.99837	0.3
69.03473	1.5
71.01377	2.8
72.99314	0.7
73.02938	0.4
75.00872	1.2
78.91868	0.3
79.01888	1.6
81.03460	0.8
81.92026	0.3
83.01410	1.0
85.02941	0.6
85.67968	0.3
87.00877	0.4
88.98794	1.5
89.02462	0.7
91.21168	0.3
93.03455	0.5
95.01391	3.2
95.04993	0.3
96.96031	0.5
96.99312	0.4
97.02963	2.3
98.20767	0.6
99.00883	0.6
101.02450	0.9
105.03458	0.5
107.01384	15.0
107.05032	0.7
109.02954	0.7
111.00903	3.1
113.02448	0.6
117.03451	0.8
119.03505	0.4
119.05079	0.7
121.02955	21.8
122.03312	0.9
123.00883	16.4
123.04493	0.7
124.01702	2.0
125.02445	75.8
126.02776	2.9
127.00386	1.0
131.05029	0.4
133.02972	1.4
135.04524	1.7
136.98816	1.8
137.02493	1.5
138.70238	0.3
139.00378	5.7
139.04018	0.5
140.01180	4.0
141.01918	1.5
145.02934	1.9
149.02432	1.3
150.03177	0.6
151.00371	7.7
151.04021	1.3
152.00757	0.4
153.01952	1.3
159.04512	0.4
161.02452	4.6
161.06052	0.4
163.04037	1.3
164.01170	0.4
165.01920	1.1
166.02718	1.0
166.06364	0.5
166.99860	3.1
167.03513	0.9
168.00642	6.2
169.01419	100.0
170.01775	3.7
173.02444	0.4
175.00334	0.3
175.04005	0.8
177.01917	1.9
177.05551	0.3
179.03487	8.1
181.08661	0.4
185.50464	0.3
187.04001	0.7
189.01932	1.0
189.05547	0.7
190.02734	1.0
191.03511	2.1
191.05104	0.4
193.01404	3.5
193.05052	0.4
195.02997	0.3
203.03584	0.5
205.01439	1.3
205.05019	0.7
206.02022	0.3
207.02991	1.2
209.04703	0.5
209.11745	0.4
211.02516	1.0
215.03467	0.7
217.05087	0.6
221.00941	0.8
223.02405	0.5
233.04605	1.3
235.02464	1.7
251.05667	0.4
277.03690	0.6
283.60315	0.3
287.05542	0.8
295.04599	2.8
309.44003	0.3
315.99750	0.3
323.07990	0.5
341.06851	0.4
355.08319	1.0
373.09369	0.7
399.07175	5.1
400.07596	0.7
401.08667	0.7
417.08258	28.8
418.08685	2.9
435.09692	0.6
455.31604	0.4
473.26715	0.4
473.32678	1.7
517.31525	1.7
525.10321	8.7
525.18542	0.5
526.10803	1.3
551.29309	0.4
557.16791	0.6
569.09332	49.2
570.09637	7.0
587.10443	8.2
588.10828	0.9
647.31982	0.4
739.11725	14.3
739.25311	2.6
740.12329	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01380	6.7
61.98833	0.8
67.01893	0.4
68.83116	0.4
69.03461	3.7
69.38670	0.9
69.39087	2.2
71.01389	5.3
71.05008	2.8
72.99271	0.4
73.02932	1.2
78.95914	1.0
83.01390	0.8
83.05046	0.8
83.40698	0.3
85.02946	1.6
87.00891	0.6
89.02436	2.8
95.01418	0.4
97.06613	0.9
99.00945	0.5
101.02440	3.8
113.02464	1.6
119.03511	0.7
123.08158	1.0
125.02454	0.4
125.09721	2.0
137.09698	0.8
151.11298	1.7
152.99568	0.5
153.12834	1.9
161.04567	1.0
161.09717	3.0
169.12338	1.3
179.10762	6.8
197.11826	82.0
198.12125	4.2
205.08711	1.8
223.09818	2.6
224.62250	0.4
235.08284	0.4
241.10829	4.5
253.09215	3.4
275.20267	0.4
277.21719	31.2
278.21936	2.2
459.18741	1.3
477.19855	2.3
575.35370	0.6
719.39862	1.1
737.41138	100.0
738.41473	18.3
759.57422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
57.22725	0.4
59.01381	5.9
61.98826	1.0
69.03453	3.9
69.96455	0.8
69.96846	1.1
71.01377	6.0
71.05010	1.2
73.02929	1.1
78.95870	0.4
81.19820	0.4
83.01387	0.8
83.05001	0.6
85.02959	1.2
87.00848	1.1
89.02433	1.9
95.01370	0.7
97.06579	1.3
98.20540	0.5
101.02438	4.0
113.02415	1.5
117.57223	0.5
123.08135	1.3
125.09718	2.7
127.40528	0.5
133.05029	0.5
137.09697	0.5
151.11308	2.3
153.12820	0.9
161.04546	0.8
161.09689	4.4
163.63741	0.5
169.12332	2.6
177.98456	0.4
179.10774	9.1
197.11816	45.9
198.12129	2.1
209.11763	0.8
222.11472	0.5
223.09772	1.0
235.08015	0.7
241.10751	2.0
253.09232	2.0
275.20023	0.7
277.21698	55.9
278.22006	5.2
291.86526	0.6
459.18668	1.2
477.19650	1.9
575.35529	0.6
627.43890	0.6
737.41119	100.0
738.41400	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.0
77.62449	0.3
80.05060	0.3
81.03455	5.3
83.05025	15.1
108.04573	0.5
121.81288	0.3
125.07199	0.7
126.05559	0.3
143.08290	0.5
153.72331	0.3
154.85930	0.3
207.14980	1.2
224.17717	1.9
225.16074	12.1
226.16362	0.4
242.18591	0.4
309.21732	0.8
324.26526	0.3
333.22861	0.6
341.29166	0.8
350.24347	0.3
367.26843	1.4
433.31631	1.0
450.34268	1.1
451.32858	6.0
452.32922	0.8
466.85684	0.3
550.43170	1.2
559.39612	0.6
593.43805	0.6
659.48309	2.1
677.49646	100.0
678.49915	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	738.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90615	0.9
54.61758	0.9
59.01385	6.0
71.53201	1.1
72.99313	1.6
94.28642	1.0
105.01906	0.9
107.47060	0.8
109.02925	1.0
116.05053	3.8
119.06214	0.8
125.02399	1.0
128.05077	1.7
130.06625	1.5
142.06621	100.0
143.06963	3.3
151.00331	1.4
158.06094	11.5
186.05591	48.9
187.05861	1.7
200.19275	1.0
203.12839	5.2
204.06642	68.1
204.13123	2.0
205.06934	2.9
227.03452	6.7
245.14120	1.6
246.07697	35.4
247.07964	1.9
255.02924	10.5
256.03568	1.0
271.02457	3.2
284.03214	10.5
285.03903	3.3
300.02783	9.0
301.03415	5.0
390.02460	0.9
447.09286	29.4
448.09357	2.1
639.10706	1.0
661.35114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
60.99308	15.8
61.98831	13.4
70.81511	0.8
75.45817	0.3
87.00892	2.3
88.00408	1.8
88.98807	100.0
89.02448	8.3
89.99142	0.9
104.79265	0.3
125.02462	0.4
144.60686	0.3
169.01476	0.4
169.12364	0.8
209.11858	4.1
227.12930	1.0
239.74648	0.3
291.25500	0.3
309.53329	0.3
456.13422	0.4
522.80121	0.4
549.11041	0.3
693.38324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38957	0.3
55.99618	0.3
60.59745	0.3
60.99307	15.6
61.98830	7.8
80.96494	0.5
87.00886	0.6
88.00404	0.7
88.98806	100.0
89.02444	5.3
89.99148	0.7
97.37928	0.3
98.70426	0.3
138.93585	0.3
147.32967	0.3
628.06219	0.3
737.30713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55830	0.2
56.44707	0.2
59.01363	0.3
59.72766	0.2
60.99307	15.8
61.98830	10.5
70.03230	0.2
71.01402	0.2
71.53239	0.2
75.18710	0.2
80.96526	0.4
87.00870	0.4
88.00394	0.6
88.98804	100.0
89.02441	4.2
89.99148	0.8
96.96011	0.3
125.01259	0.2
153.15741	0.2
162.52000	0.2
183.49103	0.2
191.82765	0.2
209.11812	0.2
737.31091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	34.7
60.30350	2.1
61.98821	8.9
67.40421	2.5
69.03435	3.5
71.01385	30.0
72.83179	2.0
73.02954	3.8
78.95914	2.6
85.02942	6.2
87.00874	5.8
89.02449	21.9
97.02956	3.8
101.02431	16.7
101.88887	2.3
109.05757	2.1
111.64167	2.3
113.02454	10.8
116.27695	2.3
119.03511	5.1
125.02408	12.6
127.13584	2.1
143.03488	4.2
156.64517	2.3
161.04533	4.0
169.01431	3.3
179.05518	3.6
207.10359	2.8
209.11813	11.2
211.13336	4.9
217.30643	2.3
221.06532	2.8
225.11359	2.8
235.08264	11.7
253.09196	2.6
279.23282	82.3
280.23672	8.9
291.19507	2.9
293.21326	3.1
305.08868	4.6
397.13507	100.0
398.13861	8.1
415.14566	34.2
586.63043	2.3
677.37097	3.3
737.39044	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	736.375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56734	0.2
61.98828	100.0
62.98552	0.2
69.30832	1.3
78.95916	0.2
81.28231	0.2
86.66872	0.2
87.04857	0.2
97.46440	0.1
106.44907	0.1
142.79205	0.1
209.11841	0.4
211.13434	0.3
212.13741	0.2
217.30075	0.2
286.52109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
59.01376	26.2
71.05026	2.3
71.73096	0.8
76.23177	0.9
98.19866	2.3
107.01369	2.2
109.02953	2.0
121.02922	2.7
125.02351	1.1
127.11290	1.8
129.33060	0.9
137.09703	1.2
139.11246	1.7
142.06592	3.2
150.03194	1.0
151.00371	9.6
155.10793	1.9
157.12331	14.1
158.12596	1.2
163.00340	2.2
169.01431	1.5
177.04022	0.9
178.99844	4.5
183.98395	1.0
185.11832	11.1
186.05624	1.7
191.05612	1.7
203.12865	100.0
204.06706	2.2
204.13208	3.9
211.03957	1.2
227.03484	1.6
243.02946	3.7
245.13919	60.3
246.14244	2.4
255.02974	14.8
271.02460	26.6
272.02905	3.0
283.02524	0.9
300.02728	54.6
301.03455	41.5
302.03806	2.9
367.66058	1.0
437.06525	1.0
447.09271	81.2
448.09628	7.1
469.86697	0.9
600.55566	1.1
601.41028	1.1
643.13324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
61.98833	6.0
63.96260	0.9
65.55022	0.6
67.97405	0.6
69.03443	0.9
71.01382	8.3
71.05023	0.6
72.99300	1.3
73.02956	2.1
75.00858	0.9
77.00719	0.6
78.98582	5.5
79.95736	14.0
80.96516	72.8
81.03459	1.3
83.01385	1.1
83.05004	1.2
85.02959	3.0
87.00870	2.8
88.98820	1.5
89.02482	0.7
94.98088	16.9
96.96010	1.7
97.02951	1.6
99.00928	0.9
101.02436	3.5
106.98087	4.4
107.01409	0.9
116.92934	0.7
119.03651	0.6
122.97611	3.4
123.00897	1.1
124.01653	0.9
125.02443	6.8
127.04040	0.7
134.97562	4.9
136.99103	1.8
139.00397	1.4
140.01164	0.9
148.99147	6.3
150.03188	0.9
152.98625	7.1
161.02454	1.3
164.98615	13.0
165.05602	0.7
165.99001	0.6
167.22173	0.7
168.00647	1.3
169.01425	5.1
183.02893	1.0
188.98598	0.7
206.99713	4.4
209.11807	3.7
209.95093	0.8
225.00731	26.1
269.58441	0.6
329.93518	0.7
372.09534	0.7
441.33664	0.8
503.34027	1.0
509.17026	4.6
510.17270	0.8
515.29700	1.2
540.16486	1.0
677.35388	1.6
697.95331	0.8
737.30762	100.0
738.31299	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	735.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.7
61.98840	24.5
78.95900	12.7
83.57111	3.0
88.98802	12.2
89.02452	4.6
93.96623	3.5
96.48020	3.3
97.65269	3.5
125.02396	3.6
133.10057	3.9
152.99544	7.9
178.10355	3.6
196.66690	3.7
202.00438	3.3
209.11801	63.8
221.11803	5.0
227.12860	12.3
231.46892	3.7
235.08096	5.4
253.09473	7.2
253.21718	100.0
254.22066	5.3
277.21707	13.1
304.01328	4.4
620.25568	3.9
735.40564	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	736.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34859	0.1
56.48334	0.1
61.98830	100.0
62.98537	0.1
66.21222	0.1
69.13422	0.1
98.19843	0.2
209.12154	0.1
300.78305	0.1
320.75195	0.1
667.64893	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	736.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56313	0.2
59.01375	1.8
61.98830	100.0
69.49927	1.4
71.01373	1.3
71.87533	0.2
73.02935	0.3
78.95918	0.4
85.02967	0.3
87.00874	0.3
88.98817	0.2
89.02428	1.0
97.02982	0.2
98.20644	0.3
98.74622	0.2
101.02431	1.1
113.02475	0.6
119.03487	0.2
125.02458	0.7
152.99557	0.4
161.04509	0.3
169.01477	0.6
207.10252	0.4
209.11874	0.7
211.13393	0.4
225.11360	0.8
227.12776	0.2
235.08246	0.5
277.21658	2.1
278.22092	1.2
284.07135	0.2
293.21353	0.6
300.99899	0.3
304.70255	0.2
397.13489	2.4
398.13953	1.6
415.14752	0.7
416.14935	0.6
513.35828	0.2
514.36469	0.5
685.57001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01338	1.9
61.98810	3.0
69.03425	1.1
71.01378	10.0
71.04976	1.2
71.68472	1.4
73.02909	2.4
78.95901	10.6
78.98592	8.3
79.69735	1.3
79.95736	15.3
80.96513	91.6
81.58397	1.2
85.02918	5.1
87.00847	4.5
94.98087	20.8
101.02422	3.0
106.98031	4.8
110.98444	4.4
115.63078	1.2
115.83861	1.1
122.97561	5.9
125.02385	2.3
134.97504	5.4
136.99170	1.3
148.99113	6.4
152.98566	5.8
152.99638	1.5
164.98631	14.6
167.01083	1.6
171.10158	4.5
197.11821	1.9
206.99565	3.4
211.13264	2.7
212.13657	1.5
225.00751	20.0
229.14268	2.1
255.23260	15.2
256.23505	2.7
277.21704	10.1
289.18127	8.7
313.45508	1.4
327.21552	2.4
328.21912	3.3
329.22903	3.6
330.23410	2.9
336.84109	1.2
349.95020	1.2
374.96146	1.3
468.78461	1.3
479.15518	3.3
499.25955	1.4
537.26984	2.0
553.62927	1.3
735.39301	100.0
736.28552	1.7
736.40143	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	734.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06665	0.1
61.98828	100.0
62.98565	0.1
78.95948	0.2
88.98833	0.3
96.96004	1.9
96.96966	0.2
98.20647	0.6
120.99986	0.1
209.11998	0.2
745.59467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77036	0.4
55.89299	0.4
58.85109	0.5
59.01380	1.6
60.73657	0.5
61.98820	2.7
71.01385	0.7
73.73725	0.5
78.95906	15.5
79.95717	0.5
96.96972	1.7
110.98552	0.9
122.97621	0.9
124.98081	0.5
152.99582	12.2
163.27003	0.5
171.10187	0.6
184.11507	0.5
229.00780	0.7
255.23264	2.2
256.23596	0.7
269.84146	0.5
275.20218	0.8
277.21704	100.0
278.22025	6.7
293.21326	1.1
327.21957	0.5
329.23123	0.9
400.22632	1.4
456.25232	2.1
474.26205	2.0
734.47614	30.1
735.47772	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26604	0.4
53.37651	0.3
59.01380	0.5
71.01371	0.4
71.52740	0.4
74.88030	0.3
75.28428	0.3
93.79044	0.3
96.74095	0.4
97.27638	0.3
109.24178	0.3
111.81099	0.3
117.03451	0.5
124.68541	0.3
125.02438	0.6
143.37321	0.3
145.02948	1.7
147.04474	0.4
157.02907	0.5
163.04028	0.5
167.15710	0.4
169.01483	0.4
169.91978	0.4
172.72905	0.4
173.02417	1.5
185.02478	2.1
189.01965	0.4
201.01880	1.8
203.08945	0.3
213.02119	0.3
214.46144	0.3
219.81361	0.3
221.91565	0.3
226.99857	0.5
228.00626	0.4
229.01346	3.0
234.34001	0.4
244.00043	0.5
245.00861	1.4
257.00882	1.4
257.04395	0.4
273.00610	0.4
273.45029	0.4
283.21002	0.3
283.99649	2.5
297.06476	0.5
299.99115	2.1
300.02371	0.6
300.99878	100.0
302.00211	7.3
403.25974	0.4
735.24268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83261	0.1
59.01370	0.2
61.98829	100.0
62.98542	0.1
69.19930	0.7
69.20354	0.6
71.01374	0.2
75.00862	0.1
81.88536	0.1
83.08131	0.1
85.00004	0.1
96.96022	0.5
103.92098	0.1
171.71922	0.1
201.71103	0.1
255.23268	0.2
463.26953	0.1
714.36005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49009	5.8
57.32385	4.4
58.04036	4.5
59.01375	10.0
61.98828	87.4
71.01363	6.1
71.53713	7.4
78.95903	13.1
101.02416	6.3
107.85406	5.2
116.17001	4.7
125.02481	7.6
209.11829	56.6
227.12849	17.4
235.08163	11.3
251.20152	100.0
292.03146	6.1
386.69623	6.5
457.71204	5.5
487.28748	5.6
689.81805	5.8
733.39343	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52686	0.4
59.01376	6.7
61.98825	3.0
71.01371	2.1
71.52993	0.5
78.95917	0.7
83.05001	0.5
85.02921	0.4
89.02435	1.1
89.56708	0.3
101.02436	1.2
113.02451	0.5
115.92612	0.4
119.03495	0.5
125.02387	0.4
126.60444	0.3
129.01915	0.3
161.04474	0.4
167.14421	0.5
169.01363	0.4
183.13887	5.3
184.14165	0.5
193.12297	1.2
207.10143	0.4
209.11903	1.1
211.13380	100.0
212.13728	4.9
222.88226	0.3
235.08221	1.4
253.09279	3.5
285.04077	0.4
285.74280	0.4
358.22778	0.3
380.07031	0.4
387.25372	0.4
429.21356	1.6
447.22308	9.8
448.23242	0.5
487.34570	0.3
623.34558	2.0
624.34930	0.4
641.35144	1.3
733.38843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.0
57.93959	1.5
61.98837	4.3
78.95902	36.9
79.95759	2.6
80.96532	9.9
85.02959	8.8
93.26782	1.5
94.98074	2.1
96.96027	2.1
96.96992	1.4
97.06601	2.3
98.20605	3.4
99.92619	2.0
110.98532	26.8
125.09708	1.8
127.11302	2.4
137.09769	3.0
139.11311	4.5
152.25714	1.9
152.99632	4.1
154.47813	1.4
167.01125	11.2
171.10272	42.1
171.11700	2.6
183.13945	6.0
187.13611	1.6
196.89612	2.2
201.11224	1.8
207.32368	1.6
209.11832	2.3
211.13387	23.9
211.15170	2.2
215.96437	1.6
229.14438	12.7
253.21683	12.6
255.23283	81.9
256.23688	5.4
272.43689	1.7
277.21765	2.0
291.19684	2.5
327.21741	57.9
328.22119	3.6
329.23322	15.8
365.02832	1.7
376.06030	1.8
423.25363	4.5
497.25266	41.3
498.26175	5.5
629.47015	1.8
733.47083	100.0
734.47382	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	733.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
61.98818	3.5
68.60603	1.0
69.80896	6.0
78.95905	1.7
80.96544	1.5
88.31912	1.0
119.87840	1.1
148.71109	1.0
176.66376	1.0
259.43317	1.0
277.21738	6.2
297.14142	1.0
308.19928	1.1
407.32864	1.2
425.12091	1.0
455.35281	100.0
456.35553	13.9
484.45926	1.0
539.54999	1.1
733.38275	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	731.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.1
61.98829	19.8
71.01387	2.2
73.02936	0.9
75.00890	0.6
77.03967	1.1
77.68855	0.6
83.01372	0.7
85.02971	1.9
86.49173	0.7
87.00888	1.0
88.98827	1.1
89.02467	1.4
92.14864	0.6
93.03449	1.5
95.01413	0.7
99.00911	0.6
101.02461	1.7
105.03478	1.3
105.47227	0.6
107.05018	0.8
108.02174	1.4
109.02949	1.4
111.00890	0.8
113.02460	1.5
115.67304	0.5
117.03480	2.3
119.05033	1.4
121.02956	3.7
122.03754	3.8
123.04532	2.9
125.02465	1.4
132.02156	4.4
133.02956	55.3
134.03780	10.4
135.04526	18.9
137.02449	8.3
139.03989	2.0
145.02951	1.9
146.03737	1.8
147.04491	0.6
148.05325	0.6
149.02473	4.3
149.06099	2.4
150.03229	21.4
151.04039	3.6
153.01930	0.6
158.21671	0.6
160.01651	4.0
161.02438	100.0
162.02751	4.4
163.04080	1.4
164.04781	1.7
165.05557	13.7
166.05847	0.8
169.01425	0.9
175.03992	7.9
177.01981	0.9
177.04091	1.1
177.05562	3.2
178.02701	5.4
179.03506	15.6
179.07089	3.3
180.04196	1.5
181.05075	3.7
182.05679	0.6
182.53600	0.5
184.86360	0.6
189.05663	0.6
191.05673	1.1
191.07211	1.0
193.05031	5.0
195.06622	2.4
196.07423	1.2
199.16695	0.5
204.04242	0.6
205.05031	1.1
211.09621	1.0
217.05203	0.7
221.04546	2.1
235.06200	4.8
243.91212	0.6
247.05997	0.6
251.05566	0.8
265.07098	3.0
281.06653	1.7
295.08347	5.1
307.08279	0.8
339.07205	1.0
355.10364	1.5
403.25305	0.6
533.16547	1.9
534.17365	33.7
535.18079	14.7
536.18506	1.0
549.20020	1.2
589.18817	4.2
607.20441	1.5
683.23718	3.3
695.23395	1.2
713.24500	4.5
714.25067	0.9
731.25500	51.9
732.25739	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	731.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91827	4.6
59.01377	4.4
61.98822	16.6
67.37453	4.6
69.32750	8.5
69.33163	25.8
71.01409	5.2
71.66694	3.9
84.69977	3.7
86.17216	4.1
95.93446	4.3
101.02373	4.7
184.12889	3.9
201.60500	4.6
209.11826	63.3
210.11954	4.2
227.12837	16.5
235.08144	9.3
249.18579	100.0
250.18869	9.9
253.09239	8.2
322.33691	4.5
469.33237	5.8
731.37457	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	731.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.0
61.98827	9.8
63.99257	0.6
69.62094	1.0
69.62490	2.1
71.01393	2.3
71.46560	0.5
73.02940	0.6
73.73771	0.5
77.03960	0.6
85.02959	1.3
87.00880	0.8
89.02435	0.9
93.03471	1.1
96.95988	0.7
101.02464	1.7
105.03465	2.1
108.02158	1.1
113.02470	1.1
117.03466	1.7
118.98164	0.6
119.04997	0.6
121.02975	2.0
122.03728	1.1
123.04533	1.9
125.02435	1.3
129.02029	0.6
132.02179	5.3
133.02956	51.0
134.03770	10.2
135.03021	1.1
135.03424	0.9
135.04521	17.6
136.04803	0.8
137.02425	7.5
139.04024	1.9
145.02942	1.5
146.03728	2.3
147.04506	1.0
149.02420	3.1
149.06096	2.6
150.03214	13.9
151.04057	3.6
160.01634	5.2
161.02437	100.0
161.06079	1.6
162.02737	3.5
163.04083	1.9
164.04807	2.5
165.05544	7.3
169.01443	1.0
172.94920	0.5
175.03960	7.7
176.04634	0.6
177.02039	0.7
177.04163	0.9
177.05592	2.8
178.02702	4.0
179.03496	13.2
179.07053	3.0
180.04161	1.8
181.05035	2.1
182.05804	2.2
191.05630	1.1
193.04993	4.3
195.06572	1.6
196.07405	0.6
197.08144	1.8
205.05121	0.9
211.09782	1.0
217.04829	0.6
221.04550	2.3
235.06100	3.3
251.05611	1.2
265.07126	1.8
281.06732	0.9
295.08167	2.9
331.26099	0.6
337.09274	2.3
339.06992	1.1
355.10504	0.8
359.13708	0.7
521.20325	0.9
533.16589	2.5
534.17432	39.4
535.17828	9.8
549.19568	1.8
569.21948	1.2
589.19360	5.4
607.20880	3.3
607.28888	0.7
683.23486	3.3
695.24249	1.0
713.24579	8.3
714.24738	1.8
731.25476	33.4
732.25763	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	731.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18611	0.6
58.05626	0.6
59.01364	0.7
59.71327	0.6
60.99307	18.4
61.98832	3.3
70.42245	0.5
71.01379	0.6
78.95895	1.4
87.00881	5.2
88.00396	0.9
88.98803	100.0
89.02441	28.3
89.99129	1.1
152.19727	0.6
152.99593	0.8
184.23059	0.6
186.67543	0.6
209.11888	0.6
277.21783	0.7
424.11670	0.7
438.13269	2.2
439.13660	0.9
467.13501	1.6
481.15118	15.8
482.15692	6.5
483.16702	0.8
495.16891	1.6
496.17532	0.7
497.18243	3.3
514.14886	8.2
515.15271	1.7
528.16663	0.8
540.16467	5.3
541.17371	1.1
555.18817	41.3
556.19086	8.4
572.15399	6.8
573.15967	1.6
641.22241	1.0
659.23590	25.2
659.34747	1.2
660.24036	5.9
717.33160	0.6
731.25604	4.7
732.25861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97127	0.1
59.01382	0.4
61.98830	100.0
78.91905	0.5
80.91677	0.5
81.44716	0.1
89.02467	0.2
101.02511	0.2
102.44376	0.2
109.71105	0.1
218.60300	0.1
362.35315	0.1
506.35669	0.2
507.36261	0.3
508.36420	0.4
538.93475	0.2
728.68414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72258	0.1
53.05773	0.1
60.28558	0.1
61.98829	100.0
70.27666	0.3
70.28052	0.4
76.52107	0.1
79.98927	0.1
80.96539	0.4
86.70153	0.1
94.98124	0.2
171.10255	0.7
172.10623	0.3
180.34521	0.1
197.47470	0.1
238.43362	0.2
277.21771	0.2
278.22125	0.2
279.22247	0.2
281.25049	0.2
731.36969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10077	0.1
59.01374	0.2
61.98829	100.0
70.08191	0.4
80.96526	0.4
90.16358	0.1
130.83646	0.1
137.42192	0.1
148.91238	0.1
157.09250	0.1
160.90256	0.1
171.10327	0.4
172.10597	0.4
225.00870	0.1
277.21646	0.3
278.22241	0.3
295.55975	0.1
410.25439	0.1
731.37079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
59.77477	0.1
61.98829	100.0
62.98531	0.1
63.24954	0.1
67.56509	0.1
69.46951	0.4
71.01387	0.1
72.01707	0.1
89.02430	0.1
99.13451	0.1
111.83907	0.1
113.02448	0.1
119.03513	0.1
144.49976	0.1
169.95363	0.1
190.50934	0.1
236.78294	0.1
276.85657	0.1
373.26581	0.1
443.35187	0.1
444.35818	0.3
445.36121	0.2
446.36261	0.2
488.34851	0.1
489.34958	0.1
490.35059	0.1
506.35788	0.1
507.36435	0.2
508.36276	0.1
638.31970	0.1
661.72223	0.1
669.18347	0.1
730.40198	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	730.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88731	0.1
59.01380	0.8
61.98830	100.0
62.98539	0.2
62.99258	0.1
69.30212	0.3
69.30641	0.3
70.94532	0.1
71.01385	0.4
85.02977	0.1
89.02441	0.2
101.02471	0.2
109.02992	0.1
113.02437	0.1
117.03548	0.1
119.03510	0.1
119.05038	0.2
125.02477	0.2
133.02959	0.1
135.04619	0.1
145.02960	0.2
150.90326	0.1
151.03841	0.1
153.01970	0.1
156.81079	0.1
161.02463	0.2
161.06065	0.1
163.04063	0.2
169.01433	0.2
179.03654	0.1
179.05666	0.1
191.05731	0.1
205.05072	0.2
216.90300	0.1
225.53632	0.1
235.06108	0.2
265.07181	0.4
310.88293	0.1
325.09583	0.2
373.93881	0.1
457.07510	0.1
505.35703	0.1
506.35889	0.4
507.36026	0.5
508.36212	0.6
618.32910	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	729.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69392	17.8
59.80428	19.0
61.98829	100.0
67.99583	20.7
71.06689	17.8
71.52465	24.3
78.95898	54.9
84.54016	18.9
148.73520	23.0
152.99646	31.0
167.46965	21.6
171.10307	38.3
188.58308	19.8
197.11801	39.6
277.21985	23.5
281.81799	25.8
682.92859	22.2
707.78625	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	729.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
57.98312	1.4
59.01380	100.0
61.98830	71.7
71.01385	12.5
73.02943	4.5
78.91906	6.8
83.01358	1.7
85.02954	5.8
89.02452	2.9
96.96015	4.4
98.20638	5.5
99.00877	2.1
101.02428	7.7
113.02428	7.5
119.03471	1.5
123.04558	2.0
125.02408	2.2
132.02124	1.5
134.03746	2.3
135.04532	2.6
135.15277	1.5
137.02426	2.6
160.01643	4.9
161.02487	1.7
161.04517	3.1
167.31210	1.3
169.01416	2.1
175.03999	2.3
193.04868	1.8
200.67339	1.5
209.11929	2.3
264.71457	1.3
271.16510	1.4
277.92419	1.3
286.49704	1.3
315.18097	11.4
327.21732	2.6
393.17969	1.4
405.18835	1.8
416.64816	1.3
507.34891	2.2
607.97314	1.6
729.27924	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	730.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98830	100.0
62.37357	0.1
62.98539	0.2
64.26767	0.1
71.01388	0.1
71.29373	0.2
73.02970	0.1
77.70097	0.1
78.91898	0.6
80.91679	0.8
89.02441	0.1
101.02470	0.1
104.78381	0.1
105.40457	0.1
120.64568	0.1
145.03049	0.1
149.06114	0.1
149.53935	0.1
149.57469	0.1
161.02492	0.1
165.05505	0.1
184.37883	0.1
209.22794	0.1
313.10727	0.1
372.57156	0.1
404.87939	0.1
427.34930	0.1
443.35522	0.1
444.36047	0.3
446.36581	0.1
459.08688	0.1
506.36023	0.3
507.36288	0.2
508.36014	0.4
667.41815	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	729.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.0
58.00609	1.0
59.01380	5.5
61.98829	38.4
65.59740	0.9
69.03439	3.2
69.49766	3.7
69.50191	3.8
71.01357	3.5
73.02936	5.9
83.01363	1.4
83.05032	2.1
85.02940	3.6
87.04082	1.0
87.20277	1.0
88.98776	2.2
89.02456	1.3
93.03427	1.5
97.02959	1.1
97.06565	2.1
101.02441	2.9
108.02182	2.2
109.02927	2.6
109.06516	1.1
111.08147	8.6
113.02430	1.9
121.02963	3.6
122.03707	2.7
123.04488	1.1
125.02448	2.5
136.01659	100.0
137.02318	4.1
151.04007	98.2
152.04329	2.7
159.04478	1.7
161.02420	1.4
162.03122	1.0
163.04070	1.1
165.12845	56.4
166.13159	3.0
175.03954	1.5
175.07622	1.7
176.04869	1.3
177.05382	1.1
179.03519	1.8
181.12315	1.5
183.13896	35.0
189.12871	1.5
197.15385	1.2
203.14362	2.2
205.15817	1.8
207.13832	5.7
209.11806	7.7
211.13304	1.5
221.15382	4.6
223.13382	1.8
225.15045	1.1
227.12875	33.0
228.13249	1.8
231.13811	2.9
233.11835	6.2
237.15047	1.3
249.14978	3.8
251.12901	11.5
263.12906	1.9
265.14383	6.1
269.13913	4.8
275.12805	7.4
279.06488	1.3
293.13925	46.8
294.14316	3.8
297.08096	1.2
311.14929	3.2
312.10092	3.0
313.10498	1.5
327.12347	11.8
328.12766	1.9
342.10974	4.3
343.11945	7.5
353.15976	1.5
357.13412	72.7
358.13953	5.4
371.17081	20.5
372.17242	1.9
380.14499	1.1
423.37973	1.5
519.18536	2.5
667.36743	1.5
685.39117	1.4
729.31226	42.3
730.31744	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	729.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.5
59.51686	0.9
61.98832	56.2
63.66082	0.9
68.85738	0.9
71.01377	2.8
71.53383	1.3
75.00872	1.7
78.91871	5.8
79.55900	0.9
80.91680	26.4
87.12809	1.2
88.98793	1.7
89.02450	1.4
93.03448	1.1
96.96011	2.2
101.02439	1.3
103.22076	1.1
108.02216	1.1
109.02959	6.1
113.02451	1.5
121.02951	2.7
123.00833	1.4
123.04528	1.5
125.02463	2.8
133.02919	1.8
134.03752	2.1
135.04501	1.7
136.01662	13.6
137.02480	5.5
146.03786	6.7
147.04475	1.8
149.02429	1.2
151.04012	10.5
153.05460	1.3
161.02385	4.3
161.06050	2.2
162.03185	1.7
163.03999	5.3
164.04808	4.7
166.02661	1.2
169.01366	2.8
176.04756	1.3
177.05553	1.7
179.07079	2.9
181.05052	2.9
181.16148	1.1
209.11765	3.3
227.03491	1.3
227.12816	2.8
230.05888	1.0
241.05020	1.1
243.03056	1.5
255.06807	1.3
270.05087	1.2
272.06732	1.2
285.03821	1.6
285.07639	1.5
287.05795	1.1
291.06628	1.2
300.99908	1.4
445.12704	3.1
446.13916	1.2
459.14453	2.6
460.15213	2.5
464.14709	1.7
464.64584	1.0
475.13763	1.4
477.11386	1.2
478.12805	1.6
487.13718	1.6
489.11493	1.4
489.31799	2.0
493.14832	9.4
504.14304	2.2
505.15134	3.8
507.16565	1.3
507.33371	4.1
517.18976	8.9
519.16681	22.5
520.16772	2.5
537.17572	1.5
549.17719	24.6
550.17993	3.2
567.18658	8.8
699.24493	2.7
729.25446	100.0
730.25867	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	729.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
69.87200	0.3
69.92368	0.6
69.92773	1.0
71.01366	1.0
72.27776	0.3
83.05003	0.3
85.02949	5.9
87.00881	1.1
93.03460	2.5
96.96006	0.9
101.90630	0.3
101.91312	0.3
109.02950	0.9
111.04539	0.9
125.02436	0.9
127.03994	1.9
133.02904	0.4
133.10887	0.3
135.04524	1.0
137.02425	0.6
154.51424	0.3
161.02457	1.8
163.04012	0.6
165.05460	0.3
171.03087	0.4
173.04524	1.0
179.03540	0.7
191.05602	100.0
192.05899	2.3
205.48470	0.3
289.07202	0.4
300.99707	0.4
323.71729	0.3
353.08749	14.8
354.09119	1.0
425.08719	0.5
447.09613	0.6
528.21179	0.3
535.84961	0.3
559.50122	0.3
577.13593	0.6
631.05804	0.3
719.75305	0.3
735.05627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22126	0.1
55.69775	0.1
59.01382	0.6
61.98831	100.0
69.36394	1.2
93.34884	0.1
95.80150	0.1
185.35585	0.1
229.72641	0.2
238.11491	0.1
310.30734	0.1
329.36951	0.1
361.59546	0.1
503.33469	0.3
504.34171	0.7
505.34360	1.1
506.34708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15788	0.2
53.94739	0.1
59.01379	0.7
61.98829	100.0
62.98567	0.1
71.01404	0.3
71.52952	0.2
78.91871	0.3
80.95867	0.1
85.02961	0.2
85.20966	0.2
88.98833	0.4
89.02443	0.2
96.96029	0.2
113.02451	0.2
121.02986	0.2
125.02463	0.4
136.01642	0.2
137.02399	0.2
145.02962	0.2
161.02406	0.2
169.01457	0.4
209.11916	0.5
285.04099	0.2
301.00015	0.2
492.34229	0.2
504.34030	0.2
505.34360	0.3
506.35342	0.6
695.36890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1459
Annotation	Procyanidin B1 3-gallate
Peak:m/z	Relative Intensity
57.03446	8.7
59.01373	3.1
69.03452	0.9
71.01376	2.0
71.52389	1.1
73.12379	0.7
81.03465	2.2
83.01385	3.4
89.02438	2.3
93.03461	0.8
95.05024	1.1
97.02953	3.2
107.01395	1.0
107.05031	0.8
107.54243	0.8
108.02158	0.8
109.02951	14.1
113.02447	1.1
119.03531	1.1
119.05050	1.0
121.02937	2.1
123.00900	1.6
123.04524	10.8
125.02446	100.0
126.02833	1.8
127.11271	0.7
133.02968	2.9
135.03020	1.8
135.04524	1.9
137.02451	14.2
139.04022	2.6
145.02969	2.2
146.03763	0.9
147.04480	0.8
149.02390	3.4
150.03210	1.1
151.04018	8.2
159.04443	4.3
160.05246	0.8
161.02440	22.6
161.06113	2.5
162.03137	3.0
163.00380	1.9
163.04008	3.9
164.01207	3.6
165.01915	3.1
165.05513	0.9
169.01427	24.7
169.02846	1.5
173.06058	1.0
175.03996	7.6
177.01958	3.3
177.05540	1.6
179.03455	2.4
179.05745	1.0
183.04523	1.9
184.00522	0.8
185.06111	2.1
187.04015	5.0
188.04713	1.4
189.05638	1.3
191.05678	1.4
193.05031	0.8
199.04039	1.8
201.01982	1.1
201.05559	2.8
203.03523	1.6
203.07190	5.0
205.01477	1.3
205.05095	5.4
205.06841	0.7
209.11784	0.9
211.04057	1.3
213.05675	1.8
215.03438	0.9
215.07124	1.1
217.05054	2.3
224.04848	0.7
225.05534	1.7
227.03499	2.8
227.07016	1.1
228.04179	1.4
229.01321	1.1
229.05025	2.5
231.03024	2.2
231.06752	1.3
241.04987	2.0
243.02910	1.6
243.06599	2.0
245.04526	6.5
245.08121	8.4
253.05122	1.6
255.02971	6.4
256.03748	3.0
257.04568	3.1
267.03049	0.9
269.04507	18.3
270.04941	2.1
271.06149	1.5
273.04099	2.9
281.04535	4.4
282.05453	0.9
283.02524	1.2
285.04138	3.4
287.05615	14.4
288.05966	1.3
289.07184	27.1
290.07452	1.1
297.03915	1.8
299.05676	4.2
300.99954	1.6
303.05188	3.0
309.04144	1.0
313.03497	1.4
337.09534	0.9
339.08902	2.3
391.02917	1.0
404.34521	0.7
407.07669	39.1
408.08008	3.7
419.07590	1.9
425.08798	20.5
426.08917	1.7
431.07602	0.9
433.09155	9.6
437.08820	3.2
439.06693	1.2
449.08585	6.9
451.10455	9.9
452.10504	1.2
467.03964	0.9
515.13824	1.2
541.11432	2.3
559.12427	15.9
560.12988	2.7
577.13507	27.6
578.13727	3.8
729.15051	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	728.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
61.98828	100.0
67.20948	0.1
71.01373	0.1
71.08256	0.1
89.02441	0.2
101.02477	0.1
113.64386	0.1
115.92535	0.1
128.05293	0.1
131.58519	0.1
161.02399	0.2
182.85197	0.1
204.35751	0.1
228.98457	0.1
394.32010	0.2
395.32178	0.2
458.34103	0.1
460.34726	0.2
491.33899	0.2
492.34253	0.5
493.34659	0.5
494.34821	0.4
506.35724	0.4
546.25372	0.1
550.46393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
61.98830	100.0
62.98525	0.2
64.65296	0.1
128.14087	0.2
161.02470	0.2
209.11879	0.2
224.96352	0.2
472.46298	0.1
503.34045	0.5
504.34015	0.8
505.34552	1.0
506.35101	1.5
576.95984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45414	0.1
59.01379	0.6
61.98829	100.0
69.17419	0.9
69.17848	0.5
70.31817	0.1
71.01389	0.2
71.05032	0.2
89.02441	0.3
95.34380	0.1
113.03176	0.1
205.29147	0.1
234.11574	0.1
394.09497	0.1
425.34741	0.2
434.45593	0.2
442.34216	0.4
443.34875	0.6
444.35532	1.0
486.33292	0.2
487.33838	0.2
488.34464	0.4
505.35303	0.2
506.35516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.8
60.99310	0.8
61.98828	100.0
63.99247	0.3
64.21835	0.2
71.01382	1.7
71.05019	0.5
72.99309	0.2
78.91891	0.8
85.02947	0.3
87.66962	0.2
89.02438	1.9
98.20640	0.6
101.02446	0.7
113.02448	1.0
119.03477	1.1
125.02477	0.3
126.14827	0.2
133.02979	0.3
149.04538	0.2
161.02438	0.7
161.04556	0.3
162.02991	0.3
169.01416	0.2
179.05664	0.9
229.53349	0.3
246.60312	0.2
425.34637	0.6
426.34702	1.1
442.34262	0.7
443.35202	2.2
444.35599	3.9
475.33957	0.3
476.34967	0.3
487.34479	1.0
488.34775	1.4
504.34402	0.4
505.35245	4.4
505.42120	0.3
506.35614	9.9
507.35892	0.8
515.01862	0.2
622.26819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71014	0.3
59.01379	14.5
60.23807	0.2
70.49482	0.3
71.01382	1.7
73.02944	0.4
77.28199	0.2
78.95904	1.0
85.02958	0.4
89.02455	1.2
101.02430	1.3
113.02448	1.0
119.03516	0.4
125.09731	0.7
127.11292	1.4
152.99544	0.8
153.09187	0.4
158.99693	0.3
161.04533	0.9
171.10269	100.0
172.10608	3.9
179.05641	0.5
209.11827	1.5
210.12033	0.7
225.11365	0.4
235.08194	1.8
253.09264	5.2
255.23186	1.7
277.21716	51.5
278.22028	4.2
279.23309	0.6
280.23706	0.4
293.12125	0.4
309.35211	0.3
407.19235	3.1
543.56268	0.4
637.36212	0.5
709.38855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30020	0.1
59.01378	0.9
61.76780	0.1
61.98829	100.0
62.98529	0.1
63.99271	0.3
66.87692	0.1
69.27404	0.4
69.27824	0.8
71.01387	0.3
73.02968	0.1
76.17672	0.1
85.02964	0.2
85.16438	0.1
89.02470	0.2
91.80451	0.1
98.19862	0.3
107.01385	0.2
109.02987	0.2
117.03495	0.4
119.05041	0.4
123.00921	0.2
124.12202	0.1
125.02448	0.3
133.02983	0.3
135.04480	0.2
136.01704	0.3
145.02940	1.8
151.04033	0.4
153.01930	0.2
161.02454	0.6
163.03944	0.3
169.01422	0.5
179.03534	0.2
201.11436	0.4
209.11858	1.0
210.12160	0.3
222.75339	0.1
227.12993	0.2
227.28827	0.1
300.02756	0.1
301.00134	0.2
307.08289	1.0
313.15262	0.2
343.11981	0.2
425.34506	0.2
443.31323	0.3
444.31815	0.3
461.32806	0.2
462.32584	0.2
505.35431	1.8
506.35736	1.3
568.14862	0.1
621.14941	0.2
665.22437	1.3
666.22516	0.3
727.39557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66880	0.1
59.01381	3.1
60.99331	0.2
61.98831	100.0
62.98523	0.1
63.99267	0.4
69.34149	0.4
69.34572	0.6
71.01389	1.6
71.05011	0.2
75.00873	1.1
78.91888	1.0
85.02958	0.2
88.98806	0.2
89.02441	1.7
93.03445	0.2
96.23130	0.1
96.95978	0.2
99.68171	0.1
101.02459	0.7
113.02435	0.8
116.92903	0.2
119.03503	0.9
125.02463	0.3
135.02986	0.1
135.04536	0.2
136.01648	0.1
137.02451	0.2
143.03552	0.2
143.99261	0.1
145.02998	0.4
161.02495	0.3
161.04547	0.3
169.01422	0.3
179.05598	0.9
205.16101	0.2
209.11923	0.3
239.12923	0.2
285.03937	0.2
307.08167	0.1
411.33093	0.2
412.33215	0.1
423.32797	0.2
425.34534	0.4
426.34906	0.5
441.33963	0.8
442.34280	0.4
443.35297	3.3
444.35623	1.8
475.34396	0.1
487.34283	2.0
488.34470	1.0
503.30026	0.9
505.35379	3.6
506.35666	3.3
532.34308	0.2
540.41705	0.1
547.36749	0.2
665.23175	0.3
665.35785	1.0
729.27539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88761	0.3
55.01837	0.4
57.03423	0.6
58.00567	1.3
59.01378	45.1
60.01691	0.5
60.77692	0.4
60.99304	2.2
61.98831	12.3
64.73396	0.3
67.55728	0.4
71.01381	13.7
71.05010	2.9
72.99289	0.7
73.02926	1.1
83.01392	0.4
83.05008	1.3
85.02942	2.4
85.06558	0.9
87.00877	0.7
89.02444	18.8
94.58508	0.4
95.01356	1.5
97.06585	0.5
98.20695	0.7
99.04469	0.4
101.01807	0.5
101.02439	9.4
101.05032	0.4
113.01728	0.7
113.02450	9.8
114.02767	0.4
118.21065	0.4
119.03502	10.6
126.79794	0.4
131.03464	1.5
131.76895	0.4
137.09636	0.5
143.03471	2.4
149.04482	0.5
161.02475	0.6
161.04559	4.0
179.05612	10.5
194.92638	0.4
205.15944	4.9
209.11768	1.0
257.79617	0.4
325.25287	0.9
337.25345	0.6
393.27936	1.0
395.29388	0.9
405.31845	0.5
409.31003	1.1
411.32660	1.9
423.32748	1.1
425.34268	18.7
426.34576	2.4
427.32367	0.9
441.33850	4.9
442.34244	0.7
443.35266	100.0
444.35632	12.5
457.33105	1.8
461.36346	1.8
475.34088	5.2
476.34866	0.7
487.34256	36.0
488.34601	5.8
505.35330	71.1
506.35635	10.6
519.36572	0.6
531.33044	2.0
532.33429	0.5
547.36603	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	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.6
58.81413	0.4
59.01379	33.4
60.01703	0.4
61.98830	35.9
65.78614	0.5
68.52884	0.5
71.01382	7.2
72.99301	0.7
73.02938	0.8
73.44421	0.4
74.57467	0.4
75.00867	0.9
85.02925	1.6
89.02448	9.4
95.01389	0.8
98.19948	1.2
101.02449	5.8
103.49760	0.4
111.67105	0.4
113.02444	5.0
119.03513	5.5
131.03491	1.0
143.03453	1.2
145.02887	0.4
151.30319	0.5
161.04614	2.5
179.05614	4.5
185.60406	0.4
285.03958	0.4
379.30078	0.5
393.31760	0.8
429.33658	1.4
441.34314	0.5
443.35278	0.5
461.36276	3.8
487.34317	3.6
488.34637	0.7
505.35333	100.0
506.35638	15.1
547.36237	1.0
727.39514	1.4
743.25946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.2
70.02384	1.6
71.01378	1.9
73.02950	0.7
74.73053	0.3
77.97774	0.4
78.95911	0.9
84.07861	0.3
85.02950	0.7
89.02454	1.4
101.02434	2.2
107.57311	0.3
113.02429	1.2
119.03492	0.8
124.83241	0.4
125.09708	0.7
127.11278	1.1
137.25826	0.4
152.99571	1.5
153.09117	0.4
161.04535	0.9
171.10268	81.3
172.10583	3.4
173.08032	0.4
209.11816	1.7
210.12209	0.8
211.12390	0.6
235.08202	3.2
253.09280	7.1
255.23352	2.0
259.20627	0.5
277.21713	100.0
278.22043	7.6
279.23318	1.4
280.23660	1.4
281.24533	0.8
314.66739	0.4
407.19095	1.0
513.30664	1.2
515.19165	0.4
538.18549	0.4
605.47913	0.4
691.38025	0.6
709.38892	1.0
746.37219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74130	0.4
56.30205	0.5
58.00580	0.9
59.01379	42.5
60.99310	7.0
61.98827	5.7
64.34303	0.5
71.01379	11.9
71.05019	1.8
72.99307	1.1
74.50460	0.5
75.00867	4.3
75.45322	0.4
79.92889	0.5
83.01393	0.5
83.05005	0.6
85.02951	1.9
85.06566	0.8
87.00887	0.8
89.02447	15.2
89.90086	0.5
95.01382	1.0
101.02444	9.2
113.02455	7.5
119.03495	10.0
120.62531	0.5
131.03534	1.0
143.03496	1.8
161.04565	3.1
161.05672	0.6
179.05606	10.7
205.15958	2.6
221.02037	0.5
299.27075	0.5
325.25552	0.8
343.26398	0.9
381.31628	0.6
393.27982	0.6
395.29599	1.0
409.31342	1.0
411.32477	1.4
423.32935	0.8
425.34259	13.5
426.34515	1.6
427.32166	0.9
439.32294	0.9
441.28998	0.5
441.33954	4.1
443.35284	49.6
444.35699	6.4
457.33005	2.3
459.34888	1.5
461.36041	0.7
469.33197	0.6
475.34384	6.6
476.34613	0.7
487.34256	23.3
488.34622	2.9
505.35342	100.0
506.35748	11.3
506.43234	0.5
519.36975	1.4
531.33051	3.1
532.34479	0.6
547.36438	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	726.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83354	0.1
59.01369	0.4
61.98829	100.0
69.43466	0.8
69.43874	0.2
71.01363	0.3
72.99310	0.2
75.38054	0.1
88.98807	0.5
96.96033	0.2
101.02455	0.1
125.02441	0.2
137.02461	0.2
145.02948	0.3
161.02403	0.2
169.01361	0.2
192.51251	0.2
209.11879	0.4
211.13426	0.3
275.02359	0.2
300.99655	0.2
523.77332	0.2
726.36432	0.2
727.34595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
57.03444	6.1
59.01378	35.2
66.00848	1.1
67.01894	4.0
69.03451	9.1
69.21210	5.1
69.21645	6.6
71.01379	19.2
72.99301	3.7
73.02944	12.4
74.78265	1.2
81.03445	4.0
83.01377	4.7
83.05029	2.8
85.02950	58.6
87.00874	100.0
88.01218	1.9
89.02477	1.2
93.03461	6.4
95.01385	19.6
97.02946	26.0
98.19899	2.4
99.00864	2.8
99.04528	4.1
101.02454	1.9
101.51302	1.6
103.04027	9.5
108.02155	1.6
109.02942	8.4
111.00867	8.2
113.02440	19.1
115.00367	11.6
115.03958	1.8
121.02965	2.0
125.02438	3.1
127.04011	16.3
129.01924	2.4
135.03027	2.3
137.02431	4.6
139.00362	14.2
139.04059	1.5
141.05603	1.5
145.05057	9.1
151.03949	1.6
153.01894	1.8
155.03493	4.6
157.01398	9.9
163.03925	1.4
169.05016	4.3
171.03047	2.2
173.04547	1.5
175.02466	53.7
176.02844	1.4
190.15822	1.3
191.05612	5.4
199.02466	41.4
200.02777	1.5
217.03502	24.0
243.95418	1.3
259.04538	1.5
285.06091	2.1
303.07199	17.2
321.08200	8.2
345.08167	8.5
387.09296	17.6
405.10098	5.7
406.10681	1.4
459.53741	1.2
563.12714	2.0
581.13483	1.6
586.80756	1.1
623.14539	8.5
624.15057	1.6
685.18481	1.8
709.18390	15.8
710.18024	2.3
719.31488	1.5
727.19220	20.2
728.19788	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	727.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.0
59.01380	9.1
60.99315	0.4
61.68606	0.3
61.73560	0.3
61.98830	100.0
62.98547	0.3
63.78682	0.2
63.99271	0.5
71.01385	4.5
71.05035	0.5
71.53561	0.5
72.99320	0.8
75.00873	3.7
80.76074	0.2
81.41365	0.3
85.02970	0.9
87.00894	0.4
88.98817	0.9
89.02442	5.6
95.01387	0.7
96.96003	0.3
101.02444	2.4
113.02473	2.1
116.92887	0.3
119.03503	3.1
125.02427	0.3
137.02451	0.3
141.26756	0.3
143.03554	0.6
145.02939	0.4
161.02470	0.8
161.04593	1.4
163.04036	0.4
169.01369	0.5
170.95592	0.3
179.03416	0.4
179.03995	0.3
179.05630	3.2
201.11320	0.5
209.11852	1.4
227.12843	0.8
285.03928	0.4
300.99887	0.5
328.63361	0.3
345.75940	0.3
373.25906	0.3
389.25293	0.3
391.03448	0.3
395.29324	0.4
411.32718	1.2
423.33005	0.4
425.34467	0.7
441.33728	7.4
442.34247	1.0
443.35306	8.5
444.35721	1.4
457.33240	0.9
461.35956	0.6
475.34344	0.9
487.34314	5.8
488.34656	0.9
503.30402	0.3
504.33868	0.4
505.35571	17.2
506.35886	2.5
531.33246	0.7
547.36340	1.3
671.41370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
61.98829	100.0
69.51122	0.2
69.56549	0.2
69.64613	0.4
69.65027	0.5
71.01366	0.9
75.00875	0.3
85.02955	0.4
88.98785	0.2
89.02459	0.4
100.27666	0.2
101.02457	0.5
113.02431	0.3
119.03539	0.2
121.02977	0.3
125.02461	0.6
136.01660	0.5
137.02457	0.4
143.03496	0.2
143.07233	0.2
145.02928	0.2
149.06018	0.2
151.04037	0.6
161.02463	0.5
163.04077	0.2
164.04829	0.2
169.01472	0.7
175.00362	0.3
179.03416	0.2
190.02779	0.8
191.03181	0.4
191.05600	0.3
201.11299	0.5
205.05060	0.9
206.05392	0.4
209.11815	1.4
223.06160	0.2
227.12903	0.3
284.03259	0.2
357.13745	0.2
367.05679	0.2
367.10306	0.9
368.10727	0.8
427.28195	0.2
443.31778	0.8
445.06152	0.3
445.20898	0.2
461.32669	0.3
502.32910	0.4
503.33545	0.7
504.34131	2.1
505.35599	1.5
680.39685	0.2
726.25055	0.7
726.41107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.8
59.01378	7.1
61.98819	3.7
71.01377	7.4
71.52873	1.5
73.02938	3.0
74.71187	1.4
78.95535	1.3
78.95907	13.8
82.16806	1.4
83.05016	1.9
85.02930	2.4
89.02421	2.7
95.77410	1.2
97.06568	1.7
101.02439	4.2
113.02435	3.3
125.02492	1.7
125.09711	4.4
127.81356	1.4
135.84184	1.2
139.11266	2.6
141.12830	2.1
152.99579	22.5
163.11237	2.8
167.10712	4.0
171.00636	2.2
171.10272	9.7
176.91988	1.3
185.11821	100.0
185.69093	1.3
186.12158	4.4
201.11256	2.3
207.10207	2.7
209.11826	21.3
210.12152	1.7
211.13480	2.0
225.11304	6.8
227.12866	5.2
228.13004	1.6
229.10655	1.3
235.08089	1.6
253.09364	6.6
253.21719	3.8
277.21689	37.1
278.21970	6.5
279.23309	13.5
280.23575	1.7
295.22827	1.6
341.10342	1.6
379.11655	2.1
453.15195	7.8
465.19562	2.8
468.45013	1.8
471.16336	11.2
689.36542	3.2
707.37665	20.9
708.37976	4.9
725.41113	79.3
726.41443	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	725.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40820	1.2
57.03434	1.6
59.01373	8.4
61.29593	1.2
61.98810	4.0
71.01393	8.8
71.53043	1.4
73.02934	2.0
75.00854	3.1
77.41503	1.3
78.11768	1.3
78.95908	13.2
83.05012	2.1
85.02936	2.3
89.02437	3.3
96.96950	1.9
97.02943	1.4
97.06571	1.7
101.02422	4.7
102.93452	1.3
109.06553	1.4
109.43771	1.2
121.02953	2.0
125.02405	2.5
125.09709	3.6
127.11317	1.7
139.07544	1.3
139.11224	2.1
152.99582	19.5
161.04582	1.8
163.11311	1.9
167.10699	2.5
171.00661	2.1
171.10272	9.5
181.12428	1.3
185.11809	100.0
186.12186	3.0
201.11302	3.0
207.10234	4.2
209.11812	20.5
210.12157	3.0
225.11362	6.9
227.03317	2.1
227.12872	6.0
228.13075	1.6
229.10782	2.3
229.13309	1.8
253.09244	8.2
253.21675	3.3
254.09509	1.9
277.21725	40.1
278.22037	7.7
279.23303	11.6
283.92972	1.3
300.02905	1.4
453.15222	7.5
465.19803	2.6
471.16260	13.6
472.16846	1.6
613.97406	1.4
689.36804	2.6
707.37720	18.3
708.38092	3.7
725.41058	78.6
726.41821	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	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92720	0.4
58.00585	1.5
59.01074	0.7
59.01380	21.9
61.98830	46.0
71.01381	4.1
71.05014	0.7
71.52972	0.5
71.53354	0.6
72.99296	0.7
73.02965	0.5
75.00871	7.4
85.02928	0.9
87.00857	0.9
88.98819	1.9
89.02455	4.4
101.02462	3.4
113.02447	2.9
119.03481	3.0
124.41651	0.6
125.02399	0.8
133.03011	0.6
161.02502	1.1
161.04556	1.7
169.01398	0.9
172.62335	0.5
179.05592	2.1
191.05695	0.5
225.11285	0.8
275.02039	0.5
290.34915	0.5
300.99985	0.6
349.42245	0.5
377.28427	1.1
407.29474	5.1
408.29700	0.6
409.31125	9.9
410.31387	1.8
411.33066	0.7
423.29022	1.7
427.32220	2.0
429.33591	2.0
430.33859	0.6
439.31763	0.7
441.29486	1.4
441.33817	2.3
453.30145	6.3
454.30756	0.9
457.33679	0.7
459.35025	5.4
460.35266	0.9
473.32602	1.6
485.32813	2.0
487.34174	0.7
491.33789	7.9
492.34390	1.3
503.33801	100.0
504.34241	14.8
517.35358	2.1
545.34839	2.5
665.39380	1.4
725.41461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	2.3
59.00930	0.9
59.01378	47.7
60.99306	6.1
61.98829	48.2
69.19400	8.4
71.01381	7.1
71.05019	8.8
72.99297	2.4
74.45033	0.8
75.00872	41.8
83.05029	1.2
85.02966	2.0
89.02441	5.6
94.42167	1.0
98.20640	2.1
101.02430	6.6
104.32082	0.8
113.02454	7.3
119.03500	4.9
120.92252	0.8
161.02405	1.1
161.04547	2.0
176.32327	0.9
179.05612	1.3
205.15999	3.9
220.74669	0.9
335.41653	0.8
339.27048	1.2
351.26898	1.9
355.26401	2.5
367.26947	1.0
369.27942	5.6
379.29855	1.2
389.26852	1.7
401.26770	1.5
407.29648	1.5
409.31223	1.5
413.27350	1.0
421.31470	1.2
423.32742	12.5
424.32907	1.4
437.30624	1.5
439.32166	6.2
441.33707	52.5
442.34030	4.9
443.31564	3.4
455.31613	3.1
457.33282	7.0
459.34940	4.7
473.32690	14.8
474.33069	1.7
485.32733	16.4
486.33063	1.9
491.33612	2.3
503.33762	100.0
504.34167	12.4
517.35400	5.8
520.54797	1.0
545.34741	8.1
706.12231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22208	2.0
55.37789	2.2
57.03441	2.9
59.01384	15.5
59.37814	2.2
61.98841	11.9
70.83855	4.5
71.01348	5.1
89.02429	3.9
96.69231	2.2
97.06593	5.4
100.74307	2.2
101.02396	4.8
103.79569	2.0
113.02491	2.6
122.30179	2.0
123.04542	2.1
125.02451	5.8
135.73860	2.5
151.11281	15.3
169.01453	3.9
169.12323	82.3
170.12631	2.4
195.13940	3.6
209.11867	3.0
213.11296	10.0
253.09235	3.4
285.04254	2.7
288.87888	2.3
293.21173	15.1
356.75317	2.3
449.20233	6.6
478.46075	2.1
516.50684	2.2
725.41150	100.0
726.41315	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	725.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	31.9
60.40699	0.3
61.98832	5.1
69.98734	0.8
69.99139	1.1
71.01368	1.5
83.05054	0.4
85.02940	0.6
89.02443	0.7
93.66691	0.4
98.20008	0.4
101.02428	1.4
113.02424	1.0
119.03515	0.7
127.30244	0.4
148.43503	0.4
161.04543	0.5
164.68636	0.3
169.01373	0.4
203.28482	0.4
364.77927	0.4
369.25317	0.4
407.29456	0.8
409.31143	1.0
417.27682	0.4
421.31351	2.0
425.30688	1.0
439.31854	0.7
441.33826	5.0
453.29898	0.5
457.33221	2.2
473.32877	1.4
485.32657	3.1
503.33768	100.0
504.34146	13.3
545.34747	2.2
665.38818	1.1
725.41364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54490	0.5
57.03434	0.4
57.08189	0.4
58.00586	1.3
59.01381	32.5
60.99300	2.1
70.32157	0.4
71.01368	3.0
71.04654	0.5
71.05022	8.3
72.75422	0.4
72.99277	0.5
75.00883	1.1
83.05025	0.7
85.02945	1.3
85.06598	0.5
89.02432	2.5
95.01411	0.5
96.46292	0.4
97.06618	0.7
98.19837	0.7
101.02438	3.7
101.02982	0.6
111.75459	0.5
113.02448	3.1
114.82850	0.4
116.23778	0.4
119.03479	2.4
161.04543	0.6
205.15961	3.9
268.46078	0.5
321.22305	1.2
323.23587	0.6
337.25354	1.3
339.26968	0.7
351.26913	1.5
355.26355	1.4
364.09229	0.5
369.28027	2.2
379.30084	1.0
389.26752	0.6
392.27026	0.5
393.27805	0.6
401.27011	0.9
407.29550	1.5
409.31107	1.1
421.31128	0.9
423.32721	15.1
424.33093	2.1
437.30527	2.1
439.31985	4.3
441.33704	100.0
442.34036	15.0
443.31711	3.8
444.31693	0.5
455.31671	3.6
459.34888	2.0
473.32819	6.3
474.32968	1.6
485.32700	27.2
486.33112	3.4
503.33777	24.5
504.34167	4.8
517.35327	1.3
523.83301	0.5
527.10724	0.5
545.35059	2.6
546.35449	0.7
725.41510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.0
59.55457	1.2
60.99292	4.5
61.98831	100.0
65.85739	1.3
71.01378	1.6
71.53166	1.2
72.99312	23.4
83.05038	1.1
88.98801	30.2
89.02448	4.0
89.99152	2.9
90.99227	2.7
91.00365	4.1
96.96006	1.3
125.02425	1.8
145.03018	1.2
169.01376	1.5
171.62355	1.2
174.01674	1.3
183.13857	1.3
209.09929	1.3
209.11812	16.3
211.13387	21.5
227.12888	4.6
244.85962	1.2
253.09303	2.0
262.26611	1.0
282.96198	1.1
300.99921	1.2
335.35669	1.1
355.11148	1.0
373.25647	1.3
445.20450	1.9
447.22391	3.6
503.33853	6.5
504.33759	1.2
725.34796	8.6
726.35791	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	725.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42425	4.2
59.01383	24.5
60.99330	4.5
61.98832	100.0
64.00093	3.1
65.59048	3.2
71.01370	5.0
71.53011	5.2
72.99297	7.4
78.95902	6.1
88.98812	22.6
96.95992	3.8
99.48186	3.4
99.54388	3.6
103.93618	3.3
121.02941	4.2
152.99603	3.5
161.02420	4.0
196.91086	4.0
209.11841	20.2
211.13374	21.3
227.12787	6.1
300.99829	5.4
494.16089	3.7
503.33774	21.9
606.65308	4.2
725.35504	13.8
726.36212	6.3
744.44897	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	725.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	37.1
61.98825	0.5
68.99082	0.4
69.25890	2.9
69.26302	1.2
71.01389	1.0
89.02440	0.6
90.89799	0.4
101.02433	1.3
103.49149	0.4
113.02441	0.9
119.03470	0.7
187.15353	0.4
285.48721	0.4
286.77255	0.5
357.25858	0.5
389.28406	1.6
393.31366	0.7
407.29541	4.1
408.29663	0.7
409.31042	0.7
425.30853	0.7
439.31754	0.5
441.33813	0.7
457.33182	1.8
465.59607	0.5
485.32852	1.2
503.33743	100.0
504.34070	11.2
545.34583	0.9
584.69727	0.4
606.28833	0.4
665.38715	1.6
725.41168	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
58.00588	1.3
59.01378	58.8
60.01707	1.1
61.98828	13.5
69.36649	4.6
71.01378	15.6
71.05022	5.6
72.99288	0.9
73.02927	0.8
75.00849	1.0
83.01363	0.7
83.05026	0.7
85.02946	3.5
85.06599	1.1
87.00883	0.8
87.69111	0.6
89.02442	18.0
95.01366	1.9
101.02438	11.3
108.34637	0.5
113.02438	10.4
119.03499	11.8
119.08655	0.9
119.82231	0.5
125.02456	0.7
143.03438	2.1
149.04485	0.6
161.04527	4.1
179.05582	8.0
205.15984	1.4
249.14897	0.6
305.22632	1.0
307.20804	0.9
335.36588	0.6
344.04077	0.6
361.25131	0.7
367.22256	0.6
375.26678	0.8
377.28418	6.4
378.28802	0.8
389.28546	0.8
391.30130	1.9
392.29846	0.5
393.31635	19.5
394.32034	3.1
407.29446	2.4
409.26749	0.9
409.31277	2.1
411.32913	3.3
413.30676	0.6
425.30597	13.0
426.30917	1.5
427.31989	4.0
429.33676	1.4
437.30637	0.6
441.33777	1.3
443.31674	1.1
453.30075	0.6
455.31656	2.4
457.33206	15.5
458.33499	2.9
459.34796	32.6
460.35147	4.6
473.32770	6.5
485.32703	11.3
486.32944	1.2
491.33743	100.0
492.34140	16.2
501.32315	0.9
502.32150	0.8
503.33731	13.0
504.33920	2.2
517.35303	0.8
527.33832	0.7
535.32660	1.3
545.34589	1.0
610.38281	0.6
725.41022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
55.01890	0.7
55.36317	0.6
55.57288	0.6
55.81259	0.5
59.01381	6.6
61.98825	1.3
71.01379	4.6
71.29616	0.9
73.02955	1.8
78.95930	1.5
83.01378	0.7
83.05025	0.9
85.02956	1.9
87.00842	1.1
88.30894	0.6
89.02451	3.6
97.06623	0.8
101.02454	5.0
107.88593	0.5
111.08176	1.5
113.02443	2.0
114.82254	0.6
115.41270	0.6
119.03482	1.5
152.99609	2.5
161.04570	2.2
161.77737	0.7
163.11224	0.7
165.12828	9.0
166.50005	0.6
183.13899	70.5
184.14252	2.5
207.10271	1.0
209.11807	8.8
225.11263	1.1
226.11624	0.8
227.12897	5.7
235.08200	2.4
253.09268	6.0
277.21713	100.0
278.22025	8.1
279.23257	1.3
445.20901	1.7
453.08698	0.6
463.21759	2.0
469.14508	1.6
580.41919	0.7
598.92072	0.7
705.36304	2.2
723.43207	77.4
724.43683	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	725.1929
Annotation	Helieianeoside A
Peak:m/z	Relative Intensity
59.01375	7.8
59.07174	0.8
63.02409	0.8
65.00314	1.3
71.34524	0.8
71.52609	1.5
73.02943	1.4
75.00904	1.0
78.34631	0.7
83.01390	1.3
85.02939	1.4
89.02451	1.7
93.03435	0.8
96.96010	1.5
101.02426	1.9
102.37070	0.7
107.01378	1.9
113.02451	2.1
119.03413	0.8
121.02946	1.0
121.84232	0.8
123.00878	0.8
125.02398	1.2
132.02190	0.9
135.00864	2.1
136.01671	5.8
137.01984	0.9
143.03458	1.2
147.04485	0.8
149.30476	0.8
151.00395	4.7
151.04016	9.3
152.04305	2.5
155.30260	0.8
161.02406	1.1
163.00325	1.1
178.99821	1.6
179.05673	0.8
183.04439	1.9
191.05725	0.8
211.04018	1.8
227.03481	41.8
228.03899	2.7
229.04985	3.3
239.03352	1.4
255.02982	79.4
256.03513	7.8
257.04440	2.0
283.02487	2.0
284.03247	100.0
285.03922	18.6
286.04205	0.9
300.99896	1.9
309.91013	0.8
341.13803	1.4
357.13440	6.6
358.13736	5.8
359.14069	4.7
491.19077	2.1
503.19138	2.9
521.20532	0.9
533.19836	1.5
545.20923	2.2
575.14069	1.1
586.50726	1.1
725.19232	75.6
726.19568	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	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12409	0.2
55.01865	0.4
56.29897	0.2
57.03439	0.2
58.00589	0.3
59.01379	4.3
59.89709	0.3
69.37444	1.6
71.01380	2.9
73.02943	0.9
80.02674	0.6
81.03442	0.7
83.01376	0.5
83.05033	3.0
84.02163	0.4
85.02948	0.7
87.00875	0.8
89.02442	2.0
94.16171	0.2
95.01364	0.3
95.05037	0.4
97.06575	0.3
98.20654	0.5
101.02430	2.6
113.02460	1.4
119.03471	0.4
125.06107	0.3
126.00138	0.2
133.05081	0.4
135.08141	0.4
145.05080	0.7
161.04559	1.0
163.11282	2.4
165.12830	1.6
179.05627	0.3
181.12326	0.3
191.10793	0.8
209.11812	75.3
210.12126	3.4
227.12872	8.6
227.15141	0.4
228.13239	0.4
233.22702	0.5
235.08208	5.6
253.09268	8.7
254.09549	0.4
261.83484	0.3
273.25647	0.2
275.20160	0.4
277.21701	100.0
278.22067	7.9
361.86230	0.2
513.30597	0.3
665.36993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61308	0.3
54.59193	0.2
59.01380	4.7
64.26616	0.3
71.01382	3.4
73.02959	1.0
80.02685	1.1
81.03463	1.3
83.01391	0.4
83.05030	4.3
84.02174	0.6
85.02966	1.0
87.00909	0.7
89.02448	2.3
93.03440	0.3
95.05025	0.8
98.20644	0.7
101.02448	2.7
101.90656	0.2
102.02755	0.3
109.06583	0.3
112.23474	0.2
113.02448	1.6
119.03493	0.5
125.06107	0.6
135.08186	0.7
152.99567	0.3
161.04610	1.4
163.11287	3.5
164.11707	0.3
165.12860	2.5
179.05634	0.4
181.12350	0.7
190.83900	0.2
191.10771	1.1
207.10298	0.2
209.11829	100.0
210.12164	5.7
227.12888	9.9
228.13057	0.5
233.22746	0.3
235.08234	3.7
253.06645	0.6
253.09277	9.7
259.20474	0.4
277.21713	83.9
278.17462	0.3
278.22043	7.3
329.59531	0.3
445.20615	0.6
470.92508	0.3
723.43713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37566	0.7
65.77471	0.7
78.95897	34.7
80.02670	1.8
81.03454	1.8
83.05028	6.4
84.02168	1.6
85.57052	0.6
88.15274	0.7
95.05029	1.2
96.96952	3.0
98.19871	1.7
109.06562	1.0
122.48908	0.6
125.06042	1.0
135.08192	1.2
152.99574	45.5
153.99942	0.8
163.11263	5.6
165.12802	2.9
171.00635	5.3
191.10777	1.8
202.10805	0.7
209.11812	100.0
210.12210	5.3
227.03291	5.4
227.12866	11.9
245.04222	1.0
253.08199	0.7
253.21686	17.7
254.22003	1.2
337.27353	0.8
363.12204	3.2
395.14777	1.6
437.15552	4.2
455.16724	7.5
464.33926	0.7
487.19458	67.4
488.19839	4.8
532.58496	0.8
691.37970	6.3
723.40857	58.1
724.41595	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	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
58.00581	0.3
58.85323	0.2
59.01381	3.2
67.02377	0.2
68.17532	0.2
71.01373	2.3
71.11613	0.2
73.02937	0.6
77.22095	0.3
80.02659	1.2
81.03440	1.3
83.01368	0.4
83.05025	4.9
84.02167	0.8
85.02944	0.6
87.00870	0.4
88.69907	0.2
89.02445	1.6
95.05022	0.5
97.06625	0.3
98.19830	0.4
101.02443	1.8
109.06657	0.3
113.02448	1.1
119.03508	0.5
125.06067	0.5
135.08179	0.6
143.03531	0.3
145.05083	0.3
147.11786	0.4
149.89804	0.2
151.99245	0.2
154.59831	0.2
161.04544	0.8
163.11279	3.5
164.11568	0.2
165.12845	2.2
179.05569	0.4
181.12329	0.7
191.10753	0.7
209.11819	100.0
210.12149	5.8
227.12886	9.3
227.15138	0.4
228.13142	0.6
233.22873	0.2
235.08235	1.2
253.09286	7.1
277.21713	46.5
278.22089	4.1
307.00040	0.2
344.80078	0.2
445.20761	1.0
457.00519	0.2
555.69476	0.2
555.77893	0.3
723.42999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.0
58.00578	0.9
59.01381	31.4
61.98832	14.6
66.36629	0.8
70.33206	3.0
71.01379	6.6
71.05020	6.9
72.99310	21.1
73.02934	4.3
75.00875	18.1
85.02943	2.3
86.65339	0.8
87.00867	0.9
88.98803	3.0
89.02466	4.1
96.95982	0.9
101.02454	5.0
109.02942	1.2
110.03321	0.8
113.02435	3.7
115.92665	1.0
117.03507	0.8
119.03503	3.4
121.02985	1.2
125.02442	3.4
133.02963	3.9
135.03040	1.3
135.04581	1.0
145.02972	1.0
153.01910	1.7
161.02451	8.8
161.04527	2.3
169.01381	3.8
172.20700	0.9
179.03510	1.3
191.05589	0.9
205.42192	0.9
209.11713	1.0
285.04333	1.0
300.99863	1.1
357.25012	1.2
371.25830	1.8
373.27545	2.6
375.26898	1.3
385.27551	9.7
386.27872	1.3
391.18176	0.9
391.30118	1.3
397.27368	3.4
409.31055	3.3
413.30634	0.9
423.29041	1.6
425.30576	1.1
429.26587	1.6
437.30386	1.5
439.32227	3.6
441.30023	2.3
442.29868	1.1
453.30042	1.6
455.31586	3.9
457.33200	63.8
458.33478	7.9
471.30960	2.7
481.33008	2.3
483.31360	3.1
487.34283	4.2
489.32144	20.8
490.32367	2.5
499.34430	1.4
501.32230	100.0
502.32666	11.8
534.50659	0.8
543.33069	4.7
553.09979	1.7
571.14520	1.0
573.34180	1.2
617.77301	0.8
723.11377	1.2
723.31891	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	723.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.1
60.99305	16.0
61.98827	12.5
70.85715	0.9
71.01371	0.8
72.99320	0.7
75.00867	0.6
78.95898	1.1
80.96507	0.9
85.02952	0.4
87.00857	0.8
88.00395	1.4
88.98804	100.0
89.02441	10.9
89.99138	0.9
93.03426	0.4
96.96009	0.6
98.19923	0.5
101.02412	0.8
161.30911	0.4
207.10146	0.5
225.11270	0.6
225.55643	0.4
323.68976	0.4
501.32150	1.5
685.40167	0.6
685.51569	0.5
723.33362	0.8
740.94238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48090	0.4
59.01382	3.5
60.99308	16.0
61.98831	15.7
69.18398	4.6
70.31262	0.4
71.01360	0.9
72.99338	0.5
78.95911	1.1
85.02947	0.5
87.00864	1.0
88.00395	1.6
88.98806	100.0
89.02443	12.3
89.99152	0.4
95.25699	0.5
96.95998	1.0
497.49268	0.5
501.32358	1.5
543.33063	0.6
723.41797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03437	0.6
58.00586	0.5
59.01379	26.8
59.81223	0.3
61.98829	4.0
66.80274	0.3
69.21370	3.4
71.01371	3.1
72.37443	0.4
72.99304	0.7
73.02933	1.0
75.00867	0.4
83.05018	0.4
85.02961	0.6
88.20847	0.3
89.02444	2.1
95.01393	0.4
96.96008	1.0
98.19920	0.6
101.02435	2.2
107.01353	0.4
113.02450	2.1
115.00439	0.3
117.03445	0.9
119.03481	1.5
125.02422	1.5
126.18291	0.3
143.03528	0.3
143.05020	0.3
144.55498	0.4
145.02953	1.1
161.02467	0.3
161.04591	0.9
165.05548	0.3
166.64505	0.3
169.01405	1.6
179.05629	1.2
193.05264	0.4
209.11803	0.9
227.03578	0.4
255.02975	3.0
256.03180	0.4
278.65244	0.4
283.02484	3.9
284.02908	0.7
285.04013	5.7
286.04346	0.9
363.26913	0.4
377.28467	0.6
387.26956	0.6
391.30310	0.7
393.31631	0.9
401.28329	1.2
403.29810	0.6
409.31100	0.8
417.27963	0.7
419.29617	1.0
421.31064	6.1
422.31335	0.9
431.10049	0.4
437.30594	0.7
439.31805	1.0
453.30093	0.5
455.31577	1.8
457.33038	2.1
471.31024	0.8
483.31320	0.5
501.32205	100.0
502.32550	14.9
515.33862	0.6
525.32245	0.5
543.33368	1.2
576.12854	0.7
577.13599	2.4
578.14185	0.5
663.37372	0.8
723.19238	1.1
723.40125	0.7
731.22644	0.4
731.35260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.8
60.99305	17.7
61.98833	4.3
71.00574	1.2
88.98806	100.0
89.02470	0.6
91.63116	0.6
116.44118	0.6
116.71775	0.7
121.81530	0.8
125.02435	2.3
175.07950	0.7
179.62321	0.7
209.11807	5.9
211.13441	1.0
255.03072	0.7
277.21686	4.6
284.48834	0.7
293.21310	0.8
417.94897	0.7
633.38184	1.6
634.38275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22988	0.7
57.97332	0.6
59.01377	13.4
60.99006	1.1
60.99309	18.8
61.98830	24.2
71.01390	2.2
71.44854	0.8
71.52940	1.0
72.99308	1.0
75.00886	1.0
78.95897	1.7
80.96513	1.4
84.44829	0.7
88.98805	100.0
89.02439	8.1
93.44350	0.7
96.96008	1.4
101.02476	0.9
137.02434	1.0
171.54318	0.7
179.05632	0.7
187.00072	0.7
197.11826	0.8
207.10408	0.9
209.11755	2.0
229.97241	0.8
259.99173	0.8
286.36526	0.9
483.31183	7.3
501.32291	9.6
502.32599	1.1
565.97534	0.9
723.32056	2.1
732.62292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69287	1.9
59.01377	14.4
61.09361	1.9
61.98830	40.0
69.37438	14.2
70.44828	1.7
71.01386	3.9
71.05032	1.6
73.02937	5.9
75.00814	2.0
84.78490	2.0
85.02928	2.6
86.94466	1.8
87.00872	1.8
96.96011	3.0
101.02447	3.4
101.06104	7.6
113.02424	2.6
117.03498	2.2
123.01045	2.2
125.02430	5.2
135.04576	2.3
137.02489	2.1
161.02422	2.4
165.12830	19.7
169.01471	4.0
171.10297	3.9
183.13893	95.0
184.14337	3.9
191.10846	2.5
195.65092	2.1
197.00983	2.1
203.03653	2.0
209.11845	8.0
227.12888	100.0
228.13231	6.3
334.71191	2.2
425.30557	2.3
455.31708	18.9
469.29416	5.0
487.30710	7.0
499.30804	13.0
710.77075	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	723.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50212	0.6
59.01366	2.0
59.42680	0.5
60.99009	1.1
60.99307	16.2
61.98840	3.8
69.07458	0.5
75.29636	0.6
78.95911	1.0
86.01036	0.6
88.98804	100.0
96.18240	0.6
121.02965	4.1
125.02388	1.0
141.85709	0.6
169.01379	0.8
170.87975	0.7
171.10324	0.7
182.34763	0.6
207.10464	0.7
209.04575	2.7
209.11806	12.4
211.13361	1.6
227.12933	1.1
253.09305	1.1
277.21683	9.6
293.21243	1.0
294.04767	0.7
300.99948	0.9
350.05902	0.7
379.14197	0.7
384.71231	0.6
471.34909	3.5
472.51569	0.7
603.68738	0.7
673.36469	0.6
723.41333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
61.98828	30.1
69.32923	4.4
69.33348	5.8
71.05039	1.3
78.91908	1.4
78.95904	3.9
88.98791	2.1
93.03427	1.1
96.96025	1.6
116.02328	1.1
125.02406	2.5
140.31081	1.0
169.01418	2.2
209.11794	2.3
211.76186	1.2
220.18126	1.2
236.96146	1.1
336.77020	1.4
443.34915	1.7
457.33215	74.5
458.33661	10.6
485.32538	1.8
487.34271	100.0
488.34674	17.3
579.83344	1.3
721.40979	2.1
722.36682	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	721.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
59.01384	11.6
60.66844	0.7
61.98832	0.8
67.05508	0.5
67.17450	0.5
67.87426	0.5
69.03460	1.1
71.01381	7.0
73.02947	1.7
80.02687	0.7
81.03455	1.3
83.01402	1.0
83.05031	1.3
85.02954	2.0
87.00877	1.9
89.02450	5.0
95.01395	1.9
95.05036	3.1
97.02966	3.9
97.06614	0.7
99.00887	1.0
99.04514	0.9
101.02442	5.4
106.04264	0.9
109.06600	12.4
110.03746	2.4
111.04514	0.9
113.02457	3.4
117.69295	0.5
119.03489	1.5
121.06556	1.0
125.09723	0.8
133.05075	0.5
135.08148	1.5
136.05350	0.7
142.02669	0.8
145.05087	0.9
161.04549	2.3
161.09703	2.6
163.11281	12.2
179.05551	1.2
179.10757	2.0
181.12334	2.5
189.09201	4.9
194.54161	0.6
197.11813	1.5
207.10252	48.7
208.10590	2.5
209.11852	1.3
225.11316	100.0
226.11693	3.3
235.08241	6.3
253.09265	12.3
275.20291	0.7
277.21713	88.5
278.22064	6.2
289.21579	0.7
299.14911	0.8
443.19186	8.2
461.20267	19.6
462.20599	1.4
485.33078	0.7
513.30420	0.8
623.90155	0.7
721.41626	21.1
722.41992	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	721.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70015	0.4
54.43196	0.4
55.01879	0.4
57.03440	0.5
59.01377	11.7
61.61809	0.4
61.98837	1.3
63.37094	0.4
69.03462	0.4
71.01384	6.7
73.02954	0.9
78.95898	0.6
80.02673	1.2
81.03454	2.7
83.01388	1.1
83.05014	2.8
85.02944	1.8
87.00853	1.0
89.02442	3.7
93.03474	0.7
95.01402	0.5
95.05029	1.1
97.02952	6.3
99.00887	1.4
101.02437	4.9
106.04215	0.7
107.05051	0.6
109.06591	30.6
110.03728	1.2
110.06911	1.1
113.02436	2.9
119.03486	0.8
121.06602	1.7
123.04532	0.6
125.09689	0.6
131.03537	0.5
135.08180	4.1
136.05312	1.3
142.02692	1.9
143.03491	0.4
145.10173	0.5
152.99460	0.6
161.04550	2.4
161.09686	2.0
163.11288	19.1
164.11584	0.8
179.05574	0.8
179.10638	0.5
181.12335	4.4
189.09186	3.1
207.10248	100.0
208.10614	4.2
209.11778	2.3
225.11304	36.1
226.11638	1.6
229.21402	0.5
235.08206	3.8
243.12418	0.5
253.09274	12.7
254.09613	0.4
277.21704	83.9
278.22006	4.7
281.13956	0.5
299.14975	1.3
314.34802	0.4
354.37622	0.5
423.32593	0.7
441.33670	1.7
443.19208	5.2
444.19711	0.7
461.20267	14.0
462.20483	0.9
463.88873	0.6
467.31769	0.8
478.28113	0.4
485.32663	1.0
559.36273	0.6
703.40515	0.8
721.41644	33.7
722.41986	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	720.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00001	0.1
59.01355	0.2
61.98829	100.0
62.98541	0.2
69.30573	1.0
69.30988	0.2
72.75294	0.1
87.00898	0.2
88.98782	0.2
136.81285	0.1
169.01463	0.2
209.11745	0.1
338.24701	0.2
437.73941	0.1
575.42578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01382	2.2
61.08438	0.5
61.98827	2.2
65.00319	0.7
67.01879	0.9
69.03448	1.9
69.19276	4.4
69.19678	0.8
71.01378	4.5
72.99300	1.0
73.02936	1.0
79.01876	1.0
81.03459	1.0
83.01394	0.7
83.74537	0.5
85.02944	6.1
93.03449	1.3
95.01387	3.4
96.96032	0.7
96.99325	0.6
97.02950	1.6
105.03472	0.7
107.01382	11.0
107.04996	0.7
109.02917	1.1
111.00885	2.8
113.02459	8.2
117.03445	1.2
119.05025	1.2
120.99651	2.1
121.02950	0.9
123.00883	10.2
124.01691	2.6
125.02443	67.6
126.02809	1.1
127.00352	0.9
133.02950	2.3
135.04512	2.1
136.98811	1.6
137.02419	1.7
139.00368	5.2
140.01189	3.9
141.01901	1.0
145.02924	3.4
149.02405	1.5
150.03186	0.6
151.00371	7.1
151.03975	1.4
153.01894	1.6
160.36725	0.6
161.02432	9.1
161.05974	0.7
163.03989	2.6
165.01862	1.8
165.05562	1.0
166.02722	0.7
166.99834	2.5
167.03471	1.2
168.00667	7.2
169.01414	100.0
170.01801	3.0
173.02484	0.6
175.03961	1.1
177.02005	1.0
177.05608	1.3
178.02687	1.0
179.03479	6.5
187.03993	1.2
191.03471	2.1
193.01414	4.7
193.05048	1.3
195.02986	0.8
203.03510	1.3
205.05020	1.2
207.03123	1.1
211.02393	0.6
221.00836	0.7
221.04453	3.6
223.02472	2.2
227.03517	1.2
229.05063	2.3
235.02495	1.6
239.05553	1.0
255.02943	1.4
257.04492	1.0
265.03522	5.9
265.07306	1.0
266.03961	0.7
281.06702	1.2
283.04578	42.8
284.03061	1.1
284.05203	0.7
285.04010	8.5
287.05789	0.9
341.08701	1.3
391.06766	9.0
435.05643	99.6
436.05969	8.7
499.30664	1.8
501.55286	0.6
551.07825	1.1
569.09119	5.3
570.09521	0.7
685.24835	1.1
721.10480	10.3
721.21796	0.7
721.35406	0.7
722.10620	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	719.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98053	0.6
57.03448	0.7
59.01344	1.0
60.99279	1.5
61.98811	2.0
71.05008	3.9
73.33186	0.6
116.59002	0.6
125.02441	2.4
133.02902	1.3
137.02335	0.7
161.02428	3.4
168.00577	0.8
169.01372	4.3
195.68581	0.7
197.02196	3.6
317.92468	0.6
377.05084	2.7
377.28366	4.1
378.28891	0.8
391.30301	1.3
393.31659	14.2
394.31873	1.1
407.29596	1.7
409.31342	0.9
411.32642	2.5
425.30554	12.1
426.31161	1.1
427.32132	4.8
428.32257	1.1
441.33502	1.5
443.31418	0.8
457.33255	1.7
459.34760	100.0
460.35184	10.2
473.32855	1.1
477.35840	1.9
491.33774	7.1
503.33731	7.1
504.33334	1.0
521.34796	42.8
522.35107	5.1
567.24133	1.3
719.25958	0.9
719.37860	9.8
720.37891	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	719.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53844	0.9
57.03437	1.0
59.01367	4.3
60.99303	3.8
61.98832	11.4
63.48558	1.0
71.01375	2.6
71.05011	3.0
75.00871	2.0
75.65161	0.9
83.05049	1.1
85.02974	1.0
87.00870	1.4
89.02441	1.3
93.03516	1.1
104.78873	0.9
109.02955	1.0
113.02440	1.5
116.92848	1.7
117.03462	0.9
119.04993	1.1
121.02917	1.3
123.00879	1.2
125.02438	5.0
133.02902	1.0
135.02991	3.0
135.04523	1.5
137.02480	2.0
145.02927	2.6
149.02359	1.3
151.00374	1.4
153.02011	1.4
160.07323	1.0
161.02411	4.1
163.03964	1.6
165.05461	1.7
167.07130	1.2
169.01389	6.9
176.12595	1.0
179.03432	1.2
189.08093	1.1
197.02206	2.0
227.03409	1.0
285.04135	1.2
377.28699	3.7
393.31781	6.6
407.29630	1.5
409.31381	1.3
411.32553	2.7
421.31223	2.0
425.30414	7.3
427.32083	5.4
428.32288	1.5
433.07947	1.7
439.32138	4.0
443.31323	1.4
457.33530	4.6
459.34763	100.0
460.35138	11.0
473.32602	1.5
491.33691	12.6
503.33441	2.8
519.33618	2.3
521.34821	78.3
522.35107	10.4
599.10034	1.9
657.14954	2.3
683.23358	2.6
719.24359	1.7
719.38165	18.4
720.37885	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	718.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02715	0.9
56.97643	1.0
59.01375	1.4
61.98832	2.2
78.95898	19.5
80.02689	1.6
81.03455	1.8
83.01361	1.1
83.05023	9.2
84.02170	1.6
95.05041	2.0
122.00150	2.1
135.08206	1.1
140.01173	7.6
152.99516	1.9
163.11238	6.8
165.12804	4.7
191.10684	2.6
196.03725	2.6
209.11810	100.0
210.12154	4.1
227.12863	28.3
228.13281	1.5
279.23273	61.7
280.23630	5.7
280.26343	1.0
349.80151	1.0
476.27798	4.6
521.18304	1.0
533.52789	1.1
686.40308	15.9
687.40833	3.0
718.43060	44.6
719.43188	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	719.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	11.1
62.70514	4.4
68.08866	5.2
68.34119	5.1
68.43089	5.3
70.79337	9.2
71.01402	6.0
76.09496	5.1
85.50436	4.9
89.02449	11.3
89.03677	4.8
119.03520	6.7
136.28755	5.9
144.24612	6.4
191.05643	7.2
215.03328	6.0
247.43159	5.1
298.87238	5.4
341.05133	12.6
341.10849	20.6
377.03922	7.5
377.08591	100.0
399.05319	5.7
674.30585	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	719.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57223	5.4
57.30725	5.3
62.08024	5.2
71.01389	6.1
71.50070	7.3
71.50420	6.1
81.70640	4.9
89.02415	8.6
104.45561	4.8
135.93141	5.9
278.20203	4.9
341.11008	28.1
377.08490	100.0
378.08969	10.8
395.63785	4.9
472.32156	6.2
487.92249	6.4
510.54996	5.6
732.20404	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	719.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.8
57.03449	1.5
59.01382	8.0
61.98829	26.1
69.03455	4.2
71.01386	5.9
71.05016	2.4
73.02962	1.1
79.95775	0.8
80.02683	1.1
80.96511	0.8
81.03462	1.4
83.01394	1.9
83.05028	5.5
84.02184	1.5
85.02943	1.4
87.00893	1.3
89.02455	3.7
93.03487	0.8
93.54868	0.5
95.01405	1.2
95.05029	0.9
96.95998	1.6
96.97019	0.6
97.02909	0.8
97.06599	1.3
99.00898	1.0
101.02438	5.1
108.02187	0.5
113.02463	1.8
115.92084	1.1
117.03516	0.7
119.03465	0.9
119.05019	0.8
123.08161	1.3
125.02441	1.7
125.09710	3.6
135.04503	0.8
135.08156	0.7
137.02516	0.6
145.02948	1.5
151.00185	0.6
151.11276	3.7
153.12859	1.6
161.02380	0.7
161.04495	0.9
161.09717	4.2
163.03995	2.0
163.11290	4.4
165.12859	2.9
169.01382	1.5
179.10777	9.3
181.12242	0.8
191.10786	1.7
197.11824	67.6
198.12143	3.3
209.11824	70.5
210.12177	3.2
223.09741	0.5
227.12837	4.3
241.10800	3.5
253.09247	3.4
271.02606	0.7
300.02631	1.1
300.99881	0.9
301.03183	0.6
341.28665	0.8
453.30170	0.7
459.18906	0.7
477.19830	2.1
478.20123	0.6
519.33179	1.2
521.34631	1.2
531.53229	0.6
669.31091	0.8
687.32312	100.0
688.32739	17.3
719.14734	0.8
719.35126	20.3
720.35626	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	717.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96534	0.8
59.01368	2.0
60.99284	1.0
61.98817	3.1
65.37482	0.6
70.90623	1.7
71.01382	0.9
71.05027	17.5
73.02952	0.7
75.00883	1.1
85.02962	1.0
87.00889	0.8
88.95560	0.7
89.02438	1.6
109.02926	1.0
113.02444	1.1
119.05070	0.8
125.02443	2.4
133.02939	2.4
135.03011	0.7
135.04536	2.4
137.02419	1.3
139.00417	0.7
145.02910	1.4
152.01118	1.6
161.02444	6.3
169.01419	1.5
179.03506	1.5
182.05731	1.0
197.02231	2.5
255.17401	0.9
285.03958	1.2
289.19632	2.1
305.19464	1.0
305.22791	3.1
308.39990	0.7
319.24387	1.7
323.07739	3.6
341.08743	0.7
385.27383	1.4
387.26816	1.1
389.28577	1.1
391.29974	8.5
392.30237	1.2
405.28156	3.2
407.29691	1.3
409.31116	2.4
423.29117	7.7
424.29324	1.6
425.30652	2.9
439.32156	1.9
457.33206	100.0
458.33508	11.8
475.34537	1.5
481.30237	0.7
483.31183	1.1
489.32150	9.8
490.32886	0.8
501.32104	8.4
502.32590	0.9
519.33282	20.8
520.33472	3.0
521.16260	1.1
655.26044	0.7
717.23706	2.0
717.36737	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	718.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07211	0.3
56.72033	0.3
59.01379	0.7
60.14788	0.3
61.98828	100.0
62.98513	0.3
77.25307	0.3
78.95918	0.9
85.09871	0.3
86.69621	0.3
125.02477	0.4
158.57742	0.3
169.01414	0.4
194.88487	0.3
197.11844	0.6
209.11909	0.6
211.13460	0.6
225.11371	0.4
300.99957	0.4
467.03732	0.4
474.39868	0.4
478.25430	0.3
718.39160	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	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80284	0.1
53.36631	0.1
61.98832	100.0
71.53027	0.2
74.08889	0.1
78.95926	0.2
92.59687	0.1
97.10320	0.1
121.64096	0.1
138.98988	0.1
157.13571	0.1
207.54382	0.1
209.11847	0.2
221.90221	0.1
277.21606	0.2
478.79883	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	716.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.2
61.98829	100.0
62.98524	0.1
72.14167	0.1
72.83000	0.1
80.91685	0.4
93.16881	0.1
103.04881	0.1
134.19597	0.1
147.55508	0.1
152.41608	0.1
178.80513	0.1
228.02234	0.1
230.62013	0.1
293.79337	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	717.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98828	15.4
67.06615	1.7
69.83916	6.0
69.84321	4.2
78.95896	19.5
98.19918	1.9
99.10325	1.9
124.10011	1.7
140.01151	5.7
149.46538	1.9
152.99588	2.2
155.71461	1.8
159.85196	2.1
163.11311	2.9
196.03790	2.4
206.28790	2.2
209.11830	28.3
210.12111	6.8
227.12877	6.7
277.21710	69.9
278.22021	34.7
356.46536	1.8
377.47644	2.2
456.19620	2.2
481.11404	4.0
496.13730	15.5
497.14490	8.7
498.15082	3.0
510.14682	2.8
511.16287	11.5
512.16913	3.0
513.17731	4.5
539.19476	2.5
544.16132	7.9
567.18756	10.8
568.19012	3.4
571.18317	13.0
572.18408	3.3
597.19641	3.8
598.20813	4.0
599.21539	43.8
600.21619	9.6
602.17322	2.5
625.19385	2.3
657.22241	21.0
658.21912	5.0
684.39307	5.6
685.38812	7.5
716.41614	8.7
717.24054	92.7
717.41498	21.0
718.24475	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	715.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
57.03434	4.1
58.00579	2.4
59.01379	100.0
61.98832	21.5
62.28954	1.2
69.27435	12.7
71.01385	49.0
71.61298	1.4
72.99309	1.7
73.02946	10.7
79.06667	1.4
83.01363	5.6
84.89234	1.3
85.02950	24.5
87.00850	2.3
89.02447	22.8
95.01384	5.1
97.02942	1.7
99.00879	3.1
101.02438	28.2
111.00837	1.7
113.01710	2.4
113.02450	25.3
119.03509	8.0
124.01633	1.7
125.02384	3.9
131.44632	1.3
143.03470	4.2
161.04500	6.1
179.05473	1.6
193.54439	1.5
226.42986	1.4
272.15778	1.4
289.76144	1.5
449.28973	2.3
450.98074	1.7
467.29984	8.3
575.32489	1.7
611.34314	89.1
612.34741	12.8
629.35413	77.9
630.35669	10.1
643.83282	1.5
671.36249	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	715.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13422	1.4
57.03438	2.3
59.01379	9.0
61.98825	2.5
71.01376	11.8
71.52588	2.4
72.99289	4.2
75.00877	14.1
78.95905	1.5
83.01373	2.4
83.05004	3.6
85.02956	15.7
87.00859	6.2
95.01378	2.4
99.00867	11.6
99.91777	1.5
112.69402	1.3
113.02441	17.7
117.01897	2.8
129.01935	2.0
151.11168	1.8
152.99585	1.9
163.11240	4.2
165.12846	3.6
175.02449	2.6
209.11824	24.7
255.23273	64.3
256.23663	4.1
362.52173	1.6
378.21460	1.7
401.43216	1.6
505.29816	1.9
697.42303	1.7
715.42670	100.0
716.43030	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	715.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86381	0.6
59.01373	3.1
61.98830	77.9
70.48404	0.7
71.01396	1.5
71.53502	0.8
73.02941	1.0
83.01381	0.9
85.02923	1.5
89.02465	1.3
92.47170	0.8
93.03456	2.9
101.02430	1.9
108.02155	1.0
109.02929	1.0
116.92879	0.8
117.03465	40.3
118.03795	1.2
119.05022	16.2
121.02957	6.7
122.03741	7.5
123.00893	1.2
123.04602	3.5
123.19239	0.7
125.02473	1.9
133.02942	2.1
133.06619	1.6
134.03717	2.7
135.04532	2.3
135.72002	0.8
137.02428	1.7
145.02951	100.0
146.03383	3.2
149.02457	9.2
150.03220	41.0
151.04044	3.6
161.02402	2.5
161.06108	2.4
162.03194	2.9
163.04001	19.8
164.04803	3.6
165.05566	30.6
166.05986	1.4
169.01437	1.8
177.04140	0.9
177.05594	3.3
179.07150	5.7
180.04248	2.1
181.05049	4.7
195.06645	6.3
211.09683	0.9
265.07233	1.1
291.51935	0.8
323.07578	1.1
341.12173	1.0
369.17099	0.8
399.05750	1.4
453.19598	1.0
517.32294	1.0
518.17834	17.1
519.18665	27.2
520.19073	2.7
561.20142	0.9
573.19470	3.8
667.23895	16.2
668.24548	3.6
679.23486	1.3
697.25146	6.7
715.25946	22.1
715.37659	1.8
716.26868	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.5
61.98829	22.7
69.03448	0.7
71.01389	3.3
71.53424	1.3
85.02960	1.5
87.00866	0.8
89.02450	0.9
93.03446	1.6
96.96025	1.1
101.02418	1.0
108.02138	1.2
109.03007	0.8
113.02464	1.5
116.32123	0.6
117.03461	39.2
118.03803	1.5
118.98101	2.3
119.05019	16.1
120.05334	0.7
121.02969	5.3
122.03735	4.6
123.04542	3.0
125.02448	1.5
129.77800	0.6
132.02165	2.2
133.02960	1.8
133.06589	0.9
134.03783	3.4
135.02962	0.7
135.04485	2.0
136.01666	0.8
137.02417	1.2
145.02950	100.0
146.03265	3.2
147.04553	0.7
149.02411	4.7
149.06078	2.8
150.03224	20.4
151.03995	3.1
160.01639	5.7
161.02457	2.7
161.06068	2.0
162.03265	3.2
163.04005	16.8
164.04733	2.3
165.05569	14.5
169.01451	1.1
175.03983	5.7
176.04318	0.9
177.05516	4.1
179.03558	1.3
179.07123	4.1
180.04231	1.4
181.05061	1.6
187.03941	0.8
191.07202	1.0
193.05034	2.0
195.06683	2.7
205.05074	1.4
211.09671	0.9
265.07135	1.0
279.51773	0.6
285.04050	5.2
286.04425	0.9
307.08194	0.9
323.07742	1.9
371.25070	0.6
417.46341	0.6
429.08307	1.8
462.09732	0.8
473.33047	1.9
517.31757	1.7
518.17908	18.4
519.18658	10.8
520.18994	0.9
521.20178	1.5
569.22418	0.9
573.19727	5.8
574.19897	1.1
591.20294	1.3
667.23822	17.6
668.24475	3.2
679.24066	1.4
697.25085	7.8
698.25403	1.5
715.25818	15.5
716.26355	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	715.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.7
61.98829	80.2
62.98520	0.6
67.71198	0.6
71.01382	2.6
71.53558	0.7
73.02943	0.9
73.88683	0.6
75.00860	0.7
83.01400	1.0
85.02960	1.3
87.00880	1.1
89.02458	1.0
93.03449	2.7
95.01392	1.0
95.05038	0.6
101.02467	0.7
108.02149	1.2
109.02939	0.9
113.02444	0.9
116.92841	1.5
117.03461	38.9
119.05024	15.4
121.02940	5.9
122.03719	7.3
123.04565	3.6
125.02449	2.2
129.01923	0.7
133.02925	2.5
134.03735	2.0
135.04500	2.4
137.02434	1.4
145.02951	100.0
146.03320	3.2
149.02425	9.2
149.03508	1.1
149.06041	0.9
150.03218	40.6
151.04018	4.7
160.01653	0.9
161.02379	2.2
161.06075	1.5
162.03239	3.4
163.04015	18.3
164.04825	2.8
165.01959	0.8
165.04173	1.4
165.05568	26.2
166.05904	1.4
169.01434	1.4
175.04001	1.0
177.05476	3.6
178.05949	0.6
179.03462	0.7
179.07101	4.7
180.04276	2.6
181.05054	3.3
193.04947	1.1
195.06586	6.9
196.07411	0.8
205.04965	1.1
219.06660	0.8
244.88268	0.6
255.03027	0.8
265.07135	1.4
276.58087	0.6
323.07614	1.2
341.12372	1.1
399.05566	0.8
517.31421	1.2
518.10461	1.3
518.17834	16.1
519.18634	25.1
520.18976	2.7
573.19702	3.1
574.21301	0.6
591.20490	0.7
667.23962	17.0
668.24188	2.6
679.24371	1.2
697.24744	6.0
698.25763	0.9
715.26038	18.9
715.36853	0.9
716.26221	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	714.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58395	0.1
54.37223	0.1
59.01376	0.4
61.98829	100.0
69.30551	0.4
69.30955	0.7
71.01377	0.2
78.19433	0.1
80.87029	0.1
85.02969	0.1
87.00908	0.1
88.89590	0.1
89.02448	0.2
93.03426	0.2
96.96012	0.1
98.19942	0.3
100.50934	0.1
101.02463	0.2
104.33732	0.1
109.02936	0.1
112.43131	0.1
113.07259	0.1
116.92894	0.5
117.03435	0.7
119.05036	0.5
121.02919	0.2
122.03756	0.3
122.12614	0.1
123.04551	0.1
125.02464	0.4
128.03621	0.1
129.01990	0.1
133.02966	0.3
134.03784	0.1
135.04504	0.3
136.04874	0.1
137.02483	0.1
137.43777	0.1
145.02953	2.2
145.03993	0.2
149.02502	0.2
150.03226	1.0
151.03946	0.2
157.33795	0.1
160.01787	0.1
161.02444	0.5
162.02757	0.2
163.04010	0.6
164.04802	0.2
165.05594	0.7
169.01494	0.3
179.03535	0.2
179.07205	0.2
193.05075	0.1
195.06621	0.2
206.30779	0.1
281.06601	0.1
283.02612	0.1
284.02927	0.2
285.03906	0.1
314.84494	0.2
337.09396	0.1
423.79575	0.2
490.36432	0.3
491.36728	0.3
492.37079	0.4
505.35587	0.2
506.35895	0.4
518.17889	0.3
519.18951	0.5
667.24628	0.4
715.26849	0.5
743.61224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
78.95904	0.3
84.65086	0.3
98.32018	0.3
110.83327	0.3
118.21158	0.3
123.49294	0.3
136.13365	0.3
136.87029	0.3
192.98705	0.3
203.40515	0.3
245.36699	0.3
469.92548	0.3
708.35565	0.3
714.40546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68436	0.7
57.14560	0.6
59.01376	30.4
59.62705	0.6
65.00304	0.9
69.65351	4.1
72.99304	3.4
74.68217	0.7
103.05532	2.2
107.01394	1.7
108.02139	1.4
109.02948	1.1
119.05035	5.3
121.02959	1.6
126.54698	0.8
135.75131	0.8
147.04517	78.2
148.01688	1.2
148.04823	2.8
151.00351	7.8
163.00323	1.1
163.36482	0.7
165.05562	66.8
166.05890	2.7
169.01474	0.8
175.84512	0.7
178.99869	3.3
195.04012	0.8
207.06604	42.8
208.06917	1.2
211.51984	0.8
226.02736	1.1
227.03455	2.0
229.05161	0.9
243.02963	6.8
245.04659	0.7
254.02237	2.6
255.02977	17.5
256.03357	1.3
271.02451	36.5
272.02960	3.5
283.02463	1.1
300.02725	79.9
300.20105	0.8
301.03433	29.1
302.03983	1.4
463.08780	100.0
464.09137	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	713.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07899	0.4
59.01367	2.0
61.98829	0.5
69.21562	2.8
69.21983	1.9
71.01373	1.1
77.27898	0.5
82.85329	0.5
83.05013	0.5
125.02473	0.7
154.87614	0.4
161.02443	0.7
168.47350	0.5
179.03479	0.7
189.01936	0.5
230.67708	0.5
285.04230	0.6
373.26144	0.5
465.11893	0.8
535.31049	0.6
653.39063	1.8
654.40240	0.7
677.49536	1.8
713.47314	100.0
714.47589	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	714.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.2
61.98829	100.0
62.98526	0.2
68.36366	0.2
71.01363	0.3
71.81692	0.2
78.95913	0.4
89.20901	0.2
90.48233	0.2
91.47414	0.2
92.89944	0.2
120.35748	0.2
125.02459	0.4
145.02988	0.3
158.68387	0.2
160.33102	0.2
160.83911	0.2
185.02426	0.3
222.27792	0.2
255.23218	0.3
442.96182	0.2
714.34943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98830	100.0
62.98570	0.1
63.99254	0.2
71.01389	0.2
88.98840	0.2
89.02440	0.2
96.96019	0.5
98.19810	0.2
105.60870	0.1
116.72079	0.1
129.85506	0.1
190.58473	0.1
204.30237	0.1
256.38739	0.1
473.40005	0.1
490.36185	0.4
491.36746	0.4
492.36774	0.4
517.32330	0.2
611.95264	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	713.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03799	2.3
52.66061	2.0
53.13439	2.4
55.01862	4.2
55.60567	2.2
58.39618	2.5
59.01381	28.9
61.98552	2.8
61.98827	18.2
65.23311	2.3
69.49441	4.4
69.49848	12.6
71.01378	26.8
72.99323	3.1
73.02954	4.7
78.95890	3.5
83.01392	2.6
85.02947	8.0
87.00879	5.1
89.02448	24.8
97.02940	4.3
99.00883	2.8
99.11819	2.5
101.02443	24.0
113.02419	10.3
119.03514	5.4
125.02454	11.3
143.03430	3.9
151.89423	2.4
153.11266	2.5
161.04503	6.4
169.01613	2.2
176.44757	2.2
179.05580	2.8
203.93199	2.8
207.10246	2.8
225.11264	4.6
235.08163	9.7
251.20068	6.3
255.20656	4.9
255.23276	81.0
256.23578	4.7
305.08856	6.9
315.12228	2.3
347.40689	2.3
351.11700	2.8
379.20590	2.5
397.13513	100.0
398.13788	5.5
415.09521	3.7
415.14572	32.2
420.85309	3.0
469.44830	2.4
653.38098	3.7
713.40704	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	712.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.7
61.98829	100.0
71.53068	0.4
88.63414	0.3
96.93400	0.3
121.02966	0.7
145.02974	1.2
209.04674	0.4
209.11844	0.6
211.13376	0.5
267.19781	0.6
293.36417	0.3
649.37555	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	712.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.5
61.98830	100.0
76.62286	0.1
81.88123	0.1
91.04995	0.1
98.20747	0.3
104.90955	0.1
111.31928	0.1
128.46237	0.1
140.18031	0.2
234.05844	0.1
488.34991	0.4
489.34903	0.4
490.35428	0.5
742.13116	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	712.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28387	0.1
59.01378	0.3
61.21269	0.1
61.98830	100.0
62.98531	0.2
79.35278	0.1
91.05593	0.1
110.94394	0.1
161.02512	0.3
229.17067	0.2
253.70509	0.2
263.90805	0.1
313.15778	0.1
373.82266	0.1
488.34775	0.2
489.35349	0.4
490.35349	0.6
587.75592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
57.03436	3.9
57.75015	0.6
58.00584	1.1
59.01113	1.1
59.01379	15.8
61.98820	2.6
67.84302	0.6
69.03449	1.2
69.57336	0.7
71.01009	1.2
71.01380	18.2
71.53474	1.4
72.99303	3.2
73.02938	2.7
75.00868	39.7
82.49843	0.7
82.67095	0.6
83.01380	2.7
84.02139	0.7
85.02946	11.9
87.00868	9.2
89.02441	6.6
93.03432	0.6
96.95995	2.4
97.02927	2.2
97.30604	0.8
99.00882	4.6
101.02426	7.0
105.01919	2.1
108.02176	1.7
109.02923	2.8
111.00870	1.2
113.02450	3.6
119.03480	1.3
119.05009	2.4
123.00909	1.3
123.04461	1.1
124.01665	0.8
125.02425	2.0
125.09686	1.4
127.22844	0.7
129.01929	6.9
132.02135	1.3
133.02951	4.8
134.03751	1.4
135.02959	1.5
135.04526	5.7
136.01646	0.8
137.02441	1.5
139.03951	0.7
141.01907	1.2
145.02956	2.2
149.06091	1.0
150.03194	1.1
151.00359	0.8
151.03970	1.1
153.01971	0.9
159.03055	1.4
160.01639	2.4
161.02440	19.2
162.03056	1.2
163.03990	2.0
165.12779	0.8
166.02628	0.9
169.01430	1.9
171.10246	3.0
175.02710	0.6
175.04016	4.6
176.24107	0.8
177.04056	29.5
177.05502	2.0
178.02687	1.0
178.04381	1.2
179.03506	3.8
181.05084	0.9
183.13902	1.3
187.47836	0.8
189.87857	0.7
191.05574	0.9
193.05058	1.8
194.02226	1.1
209.04581	2.8
210.10518	0.8
221.04613	1.0
227.03503	0.8
235.01509	0.7
255.03011	1.6
267.06567	1.2
271.02527	1.6
281.06750	1.0
282.08826	1.0
285.03894	0.9
293.04651	0.8
297.11270	1.3
300.02808	2.3
301.03430	1.9
311.05383	0.8
311.09201	0.8
323.07745	7.5
337.09149	5.0
355.24957	2.4
371.10605	1.3
373.25891	10.6
374.26266	1.4
387.27753	1.2
389.12048	1.5
447.09055	0.8
491.30139	0.9
501.14011	2.5
505.09869	2.3
517.30042	5.4
518.30219	0.8
533.12946	2.6
535.31195	35.1
536.31555	3.4
551.24988	0.9
560.02454	1.0
647.32709	1.8
653.39349	1.3
677.33929	8.8
695.19629	1.8
713.36005	100.0
714.23425	1.0
714.36249	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	711.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.5
59.01382	37.2
61.98829	14.7
66.31100	1.0
71.01010	2.0
71.01381	26.6
72.99284	1.6
73.02953	4.6
76.88996	1.1
77.13471	1.2
78.91867	3.1
78.95907	2.1
81.03441	1.7
83.01379	2.8
85.02945	5.0
87.00868	4.6
89.02441	29.4
95.01389	2.2
97.02940	2.7
98.19863	3.0
101.02442	21.9
113.02440	10.6
119.03504	8.9
125.02464	7.4
143.03494	2.8
161.04538	5.1
179.05574	7.6
179.06976	1.4
221.06606	1.4
235.08182	5.4
249.18890	1.6
253.09294	3.6
253.19305	1.7
253.21736	20.6
254.21994	1.9
263.07761	1.2
277.21750	2.3
301.00055	1.2
305.08585	2.2
397.13486	43.2
415.14548	100.0
416.14844	5.0
568.28101	1.4
711.40161	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	711.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
58.00588	0.3
59.01378	16.4
61.98828	10.8
71.01389	1.4
71.05011	0.8
71.53458	0.4
73.02927	0.7
75.00844	0.4
76.47212	0.3
83.01377	0.5
85.02924	0.9
87.00856	0.5
88.98788	0.4
89.02435	1.0
93.03484	0.7
96.96015	0.4
99.00911	0.3
99.92609	0.3
101.02444	1.0
105.08286	0.3
108.02179	0.3
109.02950	2.6
113.02450	0.6
116.92857	3.2
117.92915	0.4
119.03484	0.4
119.05038	0.4
121.03023	0.3
123.04522	0.5
125.02426	1.5
132.02174	2.4
133.02962	2.2
134.03751	6.0
135.04494	1.1
135.12866	0.3
136.01646	2.2
137.02441	1.2
139.03987	0.3
140.49379	0.3
145.02986	0.5
148.01614	0.9
149.02431	0.5
149.06052	1.1
150.03221	0.6
151.04008	1.9
160.01659	9.9
161.02464	4.7
162.03249	0.5
163.04005	1.3
164.01213	0.6
165.02000	0.6
165.05547	0.5
166.02751	1.6
167.03423	0.5
169.01404	0.9
175.03983	10.9
176.04382	0.4
177.05521	0.3
178.02698	1.1
179.03505	1.4
181.05040	4.1
193.05032	8.7
194.05418	0.5
211.06134	1.5
227.03296	0.3
269.08157	0.6
271.02606	0.5
300.02753	0.4
307.08282	0.4
323.07797	0.9
337.09262	11.0
338.09473	1.0
343.11737	0.6
359.11551	0.3
373.12845	0.7
397.31061	0.5
425.30469	0.5
427.32327	0.5
429.33752	2.9
430.33765	0.4
489.35883	100.0
490.36264	12.3
517.84528	0.3
651.40894	1.2
669.41406	0.4
674.39160	0.3
711.22919	6.5
711.34711	0.6
711.42749	0.4
712.23584	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	711.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29441	1.0
59.01377	17.6
61.22310	0.9
61.98829	13.2
62.89699	0.8
63.00686	0.9
63.15825	1.0
69.23734	5.4
69.24165	3.1
71.01385	6.0
73.02932	2.5
74.45983	0.8
75.00845	1.5
83.01355	1.3
85.02936	4.0
89.02446	2.6
93.03428	2.2
101.02427	2.8
107.01417	1.0
109.02229	1.4
109.02952	18.7
110.27950	0.8
111.00842	1.1
113.02437	2.1
116.92857	1.8
117.03449	3.4
119.05013	1.6
121.02938	2.0
123.00841	0.9
123.04541	2.8
125.02447	2.4
132.02164	23.9
133.02921	3.6
134.03734	29.2
135.04462	3.3
136.01665	12.9
137.02419	3.4
139.04007	2.1
145.02982	4.2
146.03706	3.1
147.01118	0.9
148.01599	2.4
149.02470	4.3
149.06091	5.7
150.03160	3.0
151.04018	12.7
153.05576	2.4
154.37454	0.8
160.01660	91.4
161.02448	5.5
161.04623	1.3
161.06088	1.1
162.03232	2.2
163.04013	7.6
164.01117	3.8
164.04704	1.6
165.01877	2.7
165.05469	0.9
166.02715	10.4
167.03416	2.1
169.01390	1.4
175.04005	97.1
176.04395	3.0
178.02728	4.4
179.03526	6.7
179.07076	4.3
179.56073	0.8
181.05074	30.3
191.05634	1.8
191.07181	1.8
193.05054	30.0
194.05342	1.3
207.06264	1.1
211.06128	4.7
217.05058	1.6
219.06543	1.4
242.99603	0.8
254.05814	2.1
255.06619	2.0
269.08197	4.1
270.08865	2.5
271.02438	1.8
275.01959	0.9
284.10281	1.0
299.01846	1.0
307.08109	1.2
313.10718	1.7
323.07565	1.5
329.10199	3.6
337.09262	100.0
338.09637	5.9
343.11777	4.8
359.11490	6.2
373.12976	1.1
377.28412	1.1
393.31665	2.1
407.29330	2.4
425.30392	1.1
427.31918	2.5
443.31973	1.3
448.44000	1.0
457.32797	1.7
459.35202	4.1
487.34268	2.1
488.34732	5.6
489.32019	28.7
490.32343	1.7
491.33817	14.8
492.33398	1.1
503.33417	1.8
711.22876	47.7
712.23206	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	711.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27649	0.7
52.74763	0.7
52.76043	0.7
53.15181	0.6
65.00301	0.7
69.75262	3.6
95.87885	0.7
107.01435	0.8
151.00346	5.8
175.00418	1.3
178.99887	1.2
188.95442	0.9
191.16446	0.7
199.03996	2.7
215.03407	0.8
227.03503	2.1
243.03032	4.6
255.02841	1.9
266.66675	0.7
271.02472	48.6
272.02798	3.5
299.01953	100.0
300.02548	17.2
301.03500	34.2
302.03876	2.9
307.99222	0.8
316.11700	0.8
462.08041	15.7
463.08786	8.6
505.09891	9.3
547.11047	0.9
581.50647	0.8
625.13916	1.4
667.15118	57.8
668.15417	6.9
696.04095	0.8
703.94763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.7
66.02778	1.8
69.97096	8.6
71.01379	4.1
75.00873	4.5
81.38947	1.8
84.04072	1.9
85.02922	2.1
87.00867	2.1
89.02435	3.5
91.06649	1.8
94.41464	2.0
96.95983	4.6
99.00912	2.5
114.76914	2.0
121.02933	7.1
131.87889	2.2
134.03712	6.3
135.02992	3.7
151.00351	23.4
153.38112	2.0
161.02431	3.5
169.01447	1.9
176.35667	1.8
178.99861	11.1
179.03505	2.2
183.44530	1.8
193.05078	11.0
227.03386	3.6
233.53270	1.9
243.02901	4.3
255.02928	15.2
271.02472	36.5
272.03003	2.6
275.02090	2.2
299.01697	4.2
299.99368	4.4
300.02725	71.1
301.03482	75.2
301.06909	3.7
302.03696	6.0
311.07660	2.6
321.09412	2.0
321.15500	2.3
463.08798	20.7
487.57932	2.1
505.09851	100.0
506.10223	11.0
667.15320	5.4
711.21582	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	711.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	0.9
70.25719	3.0
72.18126	0.8
107.01392	1.0
109.02893	0.9
118.77033	0.8
121.03004	1.1
151.00340	6.1
152.00613	0.8
163.00311	0.9
175.00363	1.6
178.99886	1.5
199.03932	2.1
201.01923	1.1
215.03435	1.5
226.02713	1.0
227.03409	2.7
243.02876	3.4
254.30380	0.8
255.02959	2.4
271.02466	57.0
272.02884	3.9
292.80341	0.9
299.01956	100.0
300.02576	17.2
301.03497	32.6
302.03842	1.5
367.85397	0.9
462.08023	18.5
463.08725	12.1
504.08990	0.9
505.09900	9.4
506.09546	1.3
625.13965	1.8
667.15100	78.4
668.15460	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	711.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70708	0.8
63.02385	1.1
68.66328	0.7
71.01070	1.4
105.24709	0.8
107.01403	1.5
109.02948	2.1
121.02904	0.9
125.02444	0.8
133.02904	1.0
151.00369	7.9
152.00653	1.0
152.49847	0.8
161.42345	0.9
163.00363	1.9
171.04510	1.0
172.35751	0.7
178.99825	1.9
181.83821	0.9
183.04666	1.2
187.03941	1.0
199.04073	4.1
215.03423	2.3
226.02686	1.4
227.03568	3.7
243.02939	5.4
254.02104	1.1
255.02921	3.3
271.02469	65.4
272.02832	5.2
279.16794	0.7
299.01962	100.0
300.02570	18.4
301.03510	38.6
302.03687	1.1
313.03561	0.9
343.04358	2.1
367.22241	1.0
463.08664	9.9
464.09225	1.3
504.09158	16.9
505.09796	21.2
506.10278	1.9
592.08533	0.8
667.15137	89.2
668.15479	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	711.1414
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
59.01370	7.6
69.96484	10.7
71.01375	3.7
72.22251	2.0
83.01377	3.9
85.02950	3.7
89.02446	3.8
96.95995	2.5
98.19952	3.3
104.38044	2.3
107.01358	4.9
114.10931	2.3
117.03455	2.2
121.02952	6.7
121.19836	2.0
121.75582	2.1
125.02432	2.3
134.03751	8.6
135.03062	2.5
151.00375	28.2
161.02441	3.8
178.99873	12.7
191.05611	3.8
193.04955	11.6
227.03525	3.1
236.08495	2.2
243.03035	7.3
246.17317	2.1
255.02971	15.9
271.02444	35.0
272.03098	2.3
281.40497	2.4
299.01880	5.1
300.02722	87.0
301.03503	94.8
302.03741	6.4
463.08728	24.9
505.09802	100.0
506.10245	10.3
667.15137	4.5
711.21246	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	710.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28500	0.1
59.01380	9.8
60.01705	0.6
61.98832	100.0
62.98518	0.1
69.68346	0.6
71.01380	0.3
71.85498	0.1
89.02467	0.3
101.02460	0.4
113.02455	0.3
119.03517	0.2
125.02422	0.2
140.69719	0.1
161.04633	0.2
188.92145	0.1
350.27472	0.1
407.33157	0.3
408.33340	0.7
424.32968	0.4
425.34125	0.7
426.34711	1.6
439.32449	0.2
440.32053	0.2
441.33484	0.2
442.33932	0.4
444.35458	0.1
458.33582	0.1
469.33109	0.5
470.33347	1.0
486.33206	0.3
487.34253	7.5
488.34604	19.5
489.35049	1.3
626.09912	0.1
650.39227	0.3
651.40375	0.2
674.42065	0.2
710.43256	0.2
711.42645	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	710.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
60.01717	0.2
60.58693	0.1
61.98829	100.0
62.41773	0.1
67.10225	0.1
69.25148	1.1
71.01382	0.4
73.02963	0.2
82.14315	0.1
83.78492	0.1
85.02943	0.2
85.60287	0.1
90.05875	0.1
101.02458	0.4
113.02483	0.2
116.92870	0.2
119.03480	0.1
125.02463	0.1
127.49393	0.1
132.52397	0.1
134.03752	0.2
137.02531	0.1
139.00533	0.1
151.18562	0.1
160.01692	0.3
163.04109	0.1
169.01537	0.2
169.54546	0.1
175.04022	0.4
181.05069	0.2
193.05106	0.4
211.06131	0.4
285.03909	0.1
299.02124	0.2
336.54761	0.1
337.09393	0.4
383.25592	0.1
486.33017	0.6
487.34149	1.7
488.34604	3.5
489.34863	0.2
650.39941	0.2
651.39740	0.7
669.41278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93978	0.6
63.88150	0.7
64.88840	0.6
70.00777	3.1
87.79266	0.7
107.01376	1.7
109.02954	1.3
121.02916	0.8
151.00351	6.2
175.80936	0.6
178.99773	0.7
183.04462	0.9
187.03900	0.7
189.07156	0.6
198.03194	1.0
199.04041	3.1
211.03897	0.6
215.03470	2.1
226.02565	1.0
227.03461	2.5
227.91333	0.7
243.02956	3.8
254.02150	0.7
255.03008	1.8
271.02466	56.8
272.02893	4.4
299.01938	100.0
300.02618	15.3
301.03488	30.1
302.03748	1.8
313.03485	1.1
343.04553	0.8
389.39182	0.7
434.58685	0.7
462.07953	19.4
463.08777	9.4
464.09012	0.9
505.09985	11.8
506.10226	0.7
604.98798	0.7
625.14539	1.9
651.26440	0.8
667.15125	82.5
668.15594	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	710.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.3
61.98829	100.0
62.98542	0.2
69.21258	0.9
98.19854	0.2
136.90416	0.1
140.54562	0.1
147.16626	0.1
152.76097	0.1
293.63245	0.1
325.76559	0.1
394.06912	0.1
467.07721	0.1
486.33185	0.2
487.33786	0.4
488.34006	0.4
684.61841	0.1
725.23096	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	710.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98830	100.0
63.99264	0.2
71.53215	0.2
71.53616	0.2
75.00880	0.6
88.98815	0.6
89.02462	0.2
91.22056	0.2
101.02462	0.2
144.50987	0.2
153.57164	0.2
169.01407	0.3
209.11954	0.3
299.02188	0.4
458.82410	0.2
487.34204	0.4
488.35138	0.5
489.36191	0.4
743.85980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16335	0.6
57.03439	1.9
58.25950	0.8
59.01376	6.1
61.98829	14.8
69.24258	5.2
71.01386	5.1
73.02936	1.5
78.95899	15.1
81.03434	1.0
83.01385	0.9
83.05025	2.0
85.02975	1.2
87.00911	1.3
89.02446	2.5
95.05029	2.0
95.98765	0.7
96.96941	1.3
97.06602	6.9
98.20694	1.6
101.02444	3.8
105.36396	0.8
113.02446	1.8
119.03454	1.1
125.09729	1.5
126.61141	0.7
131.34729	0.7
138.18181	0.8
151.11290	17.2
152.99579	20.2
153.31042	0.7
155.10782	0.9
161.04535	1.3
169.12341	45.7
170.12721	1.2
171.00665	2.8
171.10338	0.8
174.71182	0.8
195.10297	5.3
201.11307	19.5
209.11832	22.9
209.13809	1.3
210.12093	1.1
213.11313	6.2
225.11279	1.3
227.03322	1.3
227.12843	2.2
235.08252	1.7
253.09300	2.6
253.21794	3.3
255.23349	3.2
277.21713	50.1
278.22083	5.0
338.18790	0.7
343.05643	0.8
363.12112	1.0
381.13400	1.4
431.19150	2.7
449.20190	3.1
449.95737	0.8
455.16928	4.2
473.17883	16.9
474.18234	1.0
691.38239	3.1
709.41174	100.0
710.41669	19.6
725.08435	0.8
736.67108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
60.01703	0.1
61.98829	100.0
62.98515	0.2
69.21175	1.4
72.65709	0.1
131.79651	0.1
146.15427	0.1
197.32246	0.1
301.56088	0.1
315.97180	0.1
322.26498	0.2
464.34180	0.1
486.33148	0.3
487.34171	0.6
488.34518	1.7
614.02234	0.1
722.38025	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	710.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77721	0.1
52.71019	0.1
54.08128	0.1
59.01376	2.3
60.01713	0.2
61.13641	0.1
61.98829	100.0
71.01393	0.3
85.02952	0.2
89.02460	0.7
96.99442	0.1
98.19848	0.2
101.02452	0.3
113.02448	0.2
119.03485	0.3
178.09720	0.1
179.05676	0.2
187.13388	0.1
285.73166	0.1
425.34091	0.2
426.34601	0.2
441.33792	0.3
442.34094	0.7
443.35193	0.5
444.35507	1.1
458.33731	0.2
470.33398	0.2
473.32880	0.2
474.33261	0.2
475.34131	0.9
476.34509	1.7
487.34354	1.2
488.34641	3.3
489.34811	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34863	0.3
50.56240	0.3
58.00621	0.3
59.01379	35.7
60.01704	0.3
61.98817	1.0
71.01363	0.5
71.05016	1.0
75.53213	0.2
93.76958	0.3
101.02430	0.7
105.64839	0.3
113.02437	0.4
116.87511	0.3
119.03466	0.4
124.91177	0.3
221.06406	0.3
259.02457	0.3
275.10049	0.3
275.13297	0.3
280.38422	0.3
427.32004	1.5
437.30472	0.5
439.32089	0.3
443.35049	0.7
458.97992	0.3
467.31619	1.0
469.33237	8.3
470.33438	1.4
487.34268	100.0
488.34583	12.5
488.41730	0.6
649.39117	1.0
691.22260	0.7
709.41217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27785	0.7
57.03448	1.9
59.01382	5.7
61.98830	7.8
65.30276	0.6
71.01379	4.8
73.02954	1.3
76.87020	0.7
78.95908	11.0
83.05001	1.5
85.02956	1.9
87.00892	1.3
89.02416	2.5
95.05026	1.6
96.96967	1.2
97.06588	5.6
98.20672	1.6
101.02434	4.1
109.06556	0.7
113.02460	2.1
123.23150	0.7
125.09723	1.1
127.11290	0.9
133.10207	0.7
145.05042	1.0
149.09657	0.8
151.11276	15.5
152.99588	14.1
161.04597	0.9
163.11247	0.8
169.12340	46.5
170.12682	1.9
171.00598	1.6
171.10298	1.2
189.97119	0.7
195.10336	4.8
201.11308	11.6
209.11844	12.8
210.12184	0.9
213.11328	5.8
227.12856	1.7
235.08180	0.8
253.09296	3.1
253.21768	3.4
255.23230	1.8
277.21722	53.8
278.22076	3.7
394.09702	0.7
431.19110	2.9
449.20169	2.1
455.16614	3.2
473.17865	12.4
492.84235	0.8
691.38428	2.3
692.38000	0.8
709.41315	100.0
710.41400	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	709.321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	40.8
61.98827	100.0
71.01367	10.1
71.53767	6.0
78.95926	6.1
87.25175	4.0
95.70206	3.7
113.02473	5.0
115.93200	3.8
125.02385	5.1
175.92029	3.5
183.13951	18.2
199.09799	6.2
207.10167	8.3
209.11803	9.7
211.13406	44.3
225.11366	3.9
227.12798	7.5
235.08176	5.9
253.09210	5.4
299.42792	3.9
375.21509	5.6
447.22009	5.9
487.34232	8.7
590.72046	5.3
593.29224	4.2
630.17676	4.5
709.47064	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	709.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	43.8
61.98828	100.0
71.01382	6.1
71.53507	4.7
73.02934	6.5
78.95914	14.6
89.02435	7.3
96.96024	8.3
101.02443	6.3
102.65274	5.6
123.00909	10.3
167.03404	6.7
181.08640	8.6
199.09732	24.8
207.10257	10.6
209.11877	7.4
211.13382	91.6
225.11345	6.7
235.08150	7.4
238.62411	4.8
253.09270	14.5
300.99863	17.9
391.03406	6.4
422.13812	5.4
429.29001	6.5
447.22189	13.1
487.34436	11.8
488.34128	5.9
709.36426	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	709.3926
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
56.45558	0.9
58.00589	1.2
59.01371	2.1
61.98830	14.0
70.97732	1.6
71.01379	2.2
78.95902	38.2
83.05019	2.7
89.02434	1.0
96.96962	3.2
101.02417	1.2
113.02454	1.0
125.09701	3.1
127.11253	3.1
135.08191	0.9
151.11285	5.3
152.99582	54.2
155.10847	1.0
163.11263	2.7
165.12790	1.1
169.12332	29.5
171.00600	6.5
171.10205	2.0
191.10747	1.0
195.10057	1.1
199.09764	1.0
201.11313	55.0
202.11670	1.8
209.11812	65.1
210.12126	2.7
213.11334	3.3
225.11217	1.1
227.03262	4.7
227.12904	6.7
245.13637	1.0
253.21736	9.9
255.23288	2.8
277.21683	8.5
279.23352	1.1
337.10629	1.3
356.58823	1.0
363.12149	1.7
364.17227	1.0
381.13156	3.4
429.15100	2.8
437.15808	2.1
449.19824	2.6
455.16867	13.0
473.17889	48.1
474.18280	3.2
649.02100	1.0
691.38300	9.5
692.39020	1.6
709.39722	100.0
710.40143	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	709.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	29.5
61.98829	17.6
69.64133	0.9
69.64430	3.5
71.01395	3.4
73.02956	1.5
80.02657	0.6
83.01342	0.8
83.05012	2.3
85.02946	1.2
88.48972	0.6
89.02438	2.3
101.02436	3.4
110.65292	0.6
113.02457	1.6
114.22839	0.7
119.03484	1.0
125.02419	0.7
135.08261	0.8
137.46420	0.5
145.99051	0.5
159.02933	0.6
161.04543	2.3
163.11340	1.5
165.12840	1.4
165.16782	0.5
179.05606	1.0
195.17346	0.6
209.11815	100.0
210.12181	5.2
227.12881	28.1
228.13203	1.7
235.08188	2.6
238.77097	0.6
253.09305	7.6
300.02963	0.8
356.76440	0.7
369.46613	0.6
428.91055	0.6
445.20917	6.2
461.10477	0.7
463.08801	0.9
463.21799	1.1
469.33252	8.1
486.32956	1.7
487.34351	37.4
488.34711	3.6
608.34235	0.7
709.31787	19.3
710.32562	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	708.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96291	0.3
59.01369	1.4
61.98827	100.0
66.29524	0.3
67.17442	0.3
69.37093	2.5
71.01384	1.4
71.67756	0.3
78.95903	0.6
79.96138	0.3
83.01374	0.4
89.02428	0.3
98.19925	0.5
99.00867	0.5
99.72005	0.3
101.02483	0.3
110.39494	0.3
112.98843	1.6
116.03147	0.3
125.02464	0.3
142.99861	2.4
145.02989	0.3
173.00905	4.7
205.67175	0.3
247.49030	0.3
247.65929	0.3
271.02350	0.4
277.21783	1.4
278.22095	0.5
279.23248	0.7
280.23801	0.4
301.00192	0.4
471.35037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24767	0.2
59.01381	3.6
60.01707	0.2
60.99318	0.3
61.98830	100.0
62.98530	0.2
71.01388	0.8
71.05025	0.2
73.02967	0.3
78.91896	0.8
78.95856	0.2
85.02975	0.5
88.98811	0.3
89.02435	0.4
98.20671	0.3
101.02454	0.5
113.02478	0.3
115.92384	0.2
119.03488	0.2
125.02456	0.2
133.02994	0.2
146.15506	0.1
161.02472	0.4
161.04558	0.2
169.01424	0.3
207.10274	0.2
209.11832	0.4
228.95212	0.2
301.00003	0.2
377.39716	0.2
393.31769	0.2
423.32394	0.2
425.34567	0.2
442.34637	0.2
443.35522	0.2
456.32199	0.5
469.33090	0.3
485.32614	1.8
485.38046	0.2
486.33112	5.2
487.34271	8.9
556.40802	0.2
645.33911	0.2
667.40118	0.2
708.32544	0.2
709.41809	5.0
721.14661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
61.98823	1.8
70.31607	0.6
71.01384	2.4
78.95899	12.5
80.96532	0.8
83.01402	0.7
83.04984	0.6
84.51566	0.7
87.00867	0.9
89.02437	2.8
96.96942	1.1
98.19780	1.1
101.02444	2.6
101.84626	0.6
109.06568	1.5
110.98534	1.1
113.02476	1.5
115.48962	0.6
152.99588	13.5
161.04498	1.1
163.11255	1.4
166.54750	0.7
171.00636	1.5
171.10295	3.6
183.13881	6.5
189.09250	1.0
193.12350	1.7
207.10254	5.1
211.13382	93.0
212.13724	5.1
218.90756	0.7
225.11284	9.8
227.03326	1.3
233.22588	0.8
235.08134	3.7
243.12491	1.0
243.50287	0.7
253.09216	8.1
253.21721	2.1
255.23267	1.8
277.21710	100.0
278.22061	12.5
279.23257	5.1
429.21255	0.9
435.14227	0.9
447.22345	2.9
448.61688	0.8
453.15359	12.1
454.15491	1.5
471.16119	2.4
572.74463	0.9
584.80829	0.9
603.03760	0.8
689.36688	11.2
690.37708	1.2
707.36597	4.5
708.37946	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20987	0.8
59.01379	100.0
60.99297	1.7
61.98834	10.2
71.01377	3.0
71.53403	1.1
73.02955	1.1
78.95905	2.7
81.05170	0.9
83.28137	0.8
85.02950	2.8
88.98820	6.2
89.02438	1.7
100.66325	1.1
101.02425	2.3
111.86816	0.9
113.02462	1.3
118.86293	1.0
119.50665	0.8
130.09142	0.8
133.21078	0.9
152.99562	1.1
157.12793	0.9
161.04544	1.8
169.01410	1.5
199.71095	1.1
209.11803	1.0
264.14346	1.0
277.21780	1.0
301.00061	1.0
485.32581	7.6
486.33051	1.6
538.80182	1.1
587.39307	2.3
605.40533	4.3
647.41382	3.9
706.33704	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
58.00586	2.0
59.01379	73.4
69.15073	0.7
71.01377	5.3
71.05018	9.3
72.99300	0.9
73.02898	0.7
83.05032	0.9
85.02964	2.4
85.06558	0.8
87.04482	0.9
89.02441	7.3
91.98804	0.6
95.01409	1.1
97.06562	2.1
101.02428	6.2
113.02438	4.9
115.00355	0.8
119.03498	7.1
123.08152	1.6
137.09726	0.9
161.04518	2.1
179.05582	1.1
201.43378	0.6
205.15961	3.6
305.21371	1.0
321.22195	1.6
337.25333	1.4
338.43576	0.8
339.26639	0.9
355.26517	1.8
367.26462	1.9
379.29831	1.8
394.28253	1.0
397.31055	1.5
402.96783	0.8
407.29483	1.9
409.31165	1.2
423.32736	14.8
424.32922	1.0
425.30627	1.7
437.30530	4.5
439.32202	15.8
440.32376	2.3
441.33716	75.9
442.34128	10.2
455.31583	16.7
456.31818	1.8
473.32684	100.0
474.32947	11.5
483.31094	3.5
485.32681	20.2
486.32935	2.0
499.34299	1.7
527.33728	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	707.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
61.98828	15.4
68.39918	0.7
78.95900	40.3
79.95724	0.9
82.39297	0.8
83.05021	1.0
96.95969	0.8
96.96980	1.8
98.19849	1.7
108.06122	0.8
110.98507	3.6
152.99583	42.3
163.11130	1.2
167.01128	1.3
168.01430	0.7
169.15404	0.7
171.00650	2.8
171.10262	2.6
172.10429	0.8
172.48210	0.7
183.13921	8.2
187.21956	0.8
193.12367	1.8
207.10271	1.8
209.11830	0.9
211.13393	100.0
212.13728	5.1
225.11301	3.3
227.03235	5.1
229.08437	1.0
245.04239	1.7
253.21716	23.1
254.22150	1.3
255.23302	1.8
269.24747	1.4
277.21716	23.8
278.22058	27.6
279.22382	9.2
280.01950	0.8
281.24747	3.7
347.12790	1.6
367.61649	0.9
379.15277	1.7
421.16235	2.0
439.17499	7.4
446.24149	0.9
447.24103	0.9
453.15302	1.7
471.20004	85.2
472.20331	5.5
675.38623	3.0
689.37146	1.7
707.41351	33.7
708.42023	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	707.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
59.20369	0.3
61.08549	0.3
61.98822	0.7
65.76405	0.4
71.01384	2.7
71.52451	0.5
73.02956	0.9
74.23930	0.3
78.95902	8.3
80.96509	0.6
83.05034	0.6
85.02956	0.8
87.00876	0.4
89.02454	2.0
95.05000	0.6
96.96947	0.5
101.02438	2.4
109.06599	1.2
110.47651	0.3
113.02448	1.3
119.03544	0.5
125.09800	0.4
145.05042	0.3
152.99567	9.0
156.11119	0.3
161.04517	1.3
163.11320	1.0
165.12804	0.4
167.10828	0.5
167.14432	0.6
171.00635	0.8
171.10237	1.2
179.05693	0.4
181.12282	0.4
183.13876	6.1
189.09111	0.3
193.12341	1.5
197.11874	1.0
207.10268	3.0
209.11794	0.4
211.13377	100.0
212.13727	4.1
225.11293	4.4
233.27518	0.4
235.08118	2.6
243.12340	0.7
253.09271	6.9
253.21669	1.8
255.23259	1.1
277.21695	69.4
278.22031	6.8
279.23309	3.2
306.74734	0.4
379.11633	0.4
421.91989	0.4
429.21259	0.7
435.14221	0.5
447.22211	3.9
453.15253	7.9
454.15710	0.4
471.16141	1.8
513.30646	0.5
689.36700	4.9
690.36761	1.1
707.37085	3.8
708.36768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	48.7
60.01709	0.5
61.98831	7.2
63.36316	0.3
63.99248	0.3
68.55886	0.3
71.01381	2.2
72.99325	0.6
83.01401	0.4
85.02952	1.3
86.38901	0.3
89.02453	2.1
90.22546	0.3
91.14520	0.3
93.03459	0.3
93.99583	0.2
95.01406	0.5
101.02438	3.0
113.02451	2.9
119.03528	1.7
123.00851	0.4
125.02454	1.1
137.02419	0.4
161.04556	1.0
169.01422	1.2
195.06680	0.3
205.16069	0.4
218.19844	0.3
242.80264	0.3
270.59445	0.3
274.02051	0.3
294.68900	0.3
377.28531	1.1
393.27676	0.4
395.29480	3.9
396.30005	0.4
409.31161	3.3
410.31570	0.4
423.32932	2.0
425.30740	0.5
439.28101	0.8
441.33798	12.7
442.34021	0.9
443.31653	1.1
453.30081	0.9
459.35193	0.3
485.32697	100.0
486.33054	11.3
499.34341	0.6
527.33875	1.2
569.35730	0.3
647.37988	1.7
707.12103	0.7
707.39941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10957	0.2
55.01879	0.3
57.59821	0.3
58.00584	0.4
59.01377	38.2
60.01706	0.4
61.98836	3.4
71.01378	1.9
72.99299	0.4
73.02937	0.3
80.69122	0.2
83.01373	0.4
83.05027	2.7
85.02959	0.8
89.02447	1.3
95.01402	0.3
97.06587	0.3
101.02431	2.2
109.33587	0.2
113.02448	1.9
119.03482	2.2
122.41862	0.3
125.02447	0.8
126.09061	0.3
133.81171	0.3
137.02425	0.4
150.03204	0.3
161.02438	0.6
161.04570	0.6
169.01466	1.0
171.10281	0.4
209.11734	0.6
260.41370	0.3
290.14847	0.3
339.26898	0.3
341.10614	0.3
357.27829	1.6
389.28665	0.3
401.27069	0.4
403.30112	0.3
405.31528	1.6
413.30707	1.3
421.31006	0.7
423.32800	2.4
425.30331	0.3
437.30576	0.6
441.33701	1.4
455.31760	1.1
467.31650	11.1
468.32086	1.2
473.31958	0.3
481.33472	0.3
485.32700	100.0
486.33051	11.9
499.34201	0.6
503.33560	0.8
511.30481	0.7
527.33704	0.8
647.37695	1.3
707.23102	0.7
707.40564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65553	1.4
59.01382	39.5
61.98832	69.4
63.09060	1.6
69.31015	9.7
69.31419	3.7
71.01387	6.1
71.05004	2.2
75.00847	2.5
78.95901	2.9
79.44547	1.4
83.05015	2.0
87.00851	2.8
88.98811	4.0
89.02454	5.8
98.19908	2.4
101.02457	3.6
101.28038	1.4
109.06600	3.8
112.76096	1.4
113.02447	2.3
119.03488	2.2
121.02960	2.0
125.02402	2.2
161.02403	3.9
163.11319	2.0
169.01477	2.7
179.05766	1.7
203.58348	1.6
207.10228	10.8
209.11826	17.2
220.66118	1.6
225.11354	4.8
227.12851	4.9
253.09250	2.1
417.22937	1.6
439.32169	2.1
441.33786	5.7
461.20197	2.6
467.31476	4.8
473.32510	4.8
485.32727	100.0
486.33340	9.2
635.30200	7.2
653.31763	4.9
671.33154	6.3
707.29572	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	707.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66563	0.2
59.01360	1.1
61.98830	100.0
62.98534	1.1
62.99256	0.5
63.99258	5.5
65.00350	0.4
78.95895	0.8
83.01374	0.5
93.03455	0.4
97.06569	0.3
100.72450	0.3
106.39571	0.3
107.01398	0.9
141.82108	0.3
151.00378	1.6
161.73003	0.3
163.00417	0.5
168.36765	0.3
169.01387	0.4
174.03265	0.4
178.99899	0.5
183.04556	1.2
185.06133	0.3
187.03925	0.4
209.11858	0.7
211.03967	1.1
211.13376	2.9
213.05630	0.3
222.15184	0.2
227.03485	44.9
228.03848	2.0
229.05064	0.9
239.03470	0.3
253.09142	0.5
255.02975	55.5
256.03568	6.3
257.04416	0.9
277.21759	3.2
278.21964	0.8
279.22278	0.4
283.02585	0.3
284.03247	28.0
285.03983	13.6
286.04449	0.5
327.04926	0.6
543.03094	0.3
707.30743	47.3
708.31012	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	707.401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17551	0.3
59.01379	27.9
61.98829	7.6
69.20989	1.4
69.21419	1.1
69.48023	0.3
71.01376	1.8
71.05028	0.4
72.99328	0.4
73.02920	0.4
74.77479	0.2
80.96561	0.3
83.01357	0.3
85.02934	0.5
89.02453	1.9
97.09601	0.3
101.02436	2.0
113.02480	1.4
119.03532	1.8
147.70363	0.3
161.04509	1.0
179.05669	0.3
301.00000	0.4
375.30185	0.3
377.28632	1.4
391.26492	0.3
393.31650	2.7
394.32233	0.3
403.30121	0.7
405.31586	0.7
407.29364	1.2
409.27121	0.4
419.29160	0.4
421.31021	1.6
423.26843	0.5
423.32687	9.8
424.33109	1.2
425.30417	0.8
435.96332	0.3
437.30557	1.1
439.32321	2.8
441.33670	6.1
442.34039	0.8
455.31601	3.1
456.32156	0.3
467.31516	2.9
468.31982	0.3
473.32617	1.1
485.32715	100.0
486.33066	12.3
499.34464	0.7
527.34009	0.6
532.84735	0.3
647.38116	1.2
707.39966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.5
61.98832	6.4
62.72672	0.9
67.01888	2.5
68.99562	3.1
69.03444	1.4
71.01391	4.5
71.05029	0.9
72.99287	1.1
75.00883	0.8
79.01863	2.8
83.01372	1.8
89.02431	1.2
93.03497	0.9
95.01386	8.9
96.96007	1.4
97.02956	1.4
101.02428	2.0
107.01389	6.9
108.02168	3.0
109.02960	4.2
111.00875	6.1
112.98582	1.9
113.02454	1.4
119.05028	1.5
121.02944	3.4
122.03696	2.7
123.00882	28.5
123.04484	4.1
124.01669	5.0
125.02446	40.2
126.02785	1.1
126.28232	0.9
127.00363	2.4
133.02954	1.0
134.03729	1.5
135.04533	1.9
136.01666	2.2
136.98811	3.5
137.02443	8.4
139.00372	13.2
139.03998	4.2
140.01195	8.1
141.01888	2.3
145.00998	1.0
145.02934	2.1
146.03702	1.1
147.04445	1.1
149.02412	4.8
150.03227	11.2
151.00365	2.1
151.03975	5.9
153.01897	3.3
153.05513	1.5
154.99828	1.3
161.04619	1.0
161.06010	1.6
163.03995	2.1
164.04834	1.5
165.01923	1.5
165.05544	5.5
166.99826	9.6
168.00650	11.9
169.01422	50.4
170.01729	1.4
174.01677	2.4
177.01912	1.1
177.05539	1.0
180.04288	1.1
181.01407	4.5
182.02177	2.0
183.02983	17.9
197.04543	2.5
255.02995	1.6
284.03296	2.1
285.03876	2.6
369.27927	2.0
417.07568	0.9
421.30875	1.1
441.29767	1.2
455.31573	1.3
485.32831	15.4
495.13089	3.1
496.13791	1.5
497.14578	1.3
506.35583	1.3
507.36298	1.2
509.14456	5.6
510.15228	28.1
511.15753	6.8
525.17590	5.2
565.17102	6.3
583.18127	2.7
593.13593	4.1
659.20880	5.4
669.40564	3.0
671.20892	1.8
689.22198	9.9
690.22833	1.8
707.23389	100.0
708.11633	1.1
708.23755	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	707.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
58.00592	1.3
59.01381	100.0
59.92104	0.9
60.01655	1.0
63.53296	0.9
66.07148	0.7
66.90552	0.8
67.59835	0.8
69.15936	10.1
71.01006	1.7
71.01385	24.1
72.99337	1.0
73.02945	14.5
75.29375	1.0
83.01385	3.7
85.02944	6.5
87.00850	1.6
89.02446	13.3
95.01346	2.3
96.63016	0.8
96.95963	1.0
98.19842	2.1
99.00895	1.4
101.02446	13.9
113.02455	14.6
119.03508	4.6
125.02448	5.7
131.03488	1.6
135.03018	1.2
135.04518	0.9
137.02460	0.9
143.03493	2.8
149.04549	1.9
161.02452	1.6
161.04608	6.0
165.05482	1.0
179.05582	2.3
201.01419	1.1
283.54999	1.2
284.02939	0.9
301.00009	1.0
329.30438	1.0
499.25534	8.9
517.26483	26.3
518.26611	2.1
535.27533	4.2
559.27441	8.3
577.28577	8.9
578.28986	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.5
57.03442	1.5
58.00571	1.6
59.01380	100.0
61.46876	1.3
61.98830	33.7
68.65780	1.3
71.01382	10.5
71.05024	32.3
76.25201	1.2
78.95885	1.6
83.05023	33.8
85.02935	7.0
87.00868	2.2
88.07441	1.3
88.98788	2.3
89.02432	9.0
95.01375	1.9
96.96011	4.8
97.06593	4.5
101.02443	11.8
110.03302	1.1
113.02438	7.7
117.03490	1.6
119.03519	8.3
119.05009	2.8
125.02448	3.9
132.60393	1.3
133.10298	2.0
135.03053	1.5
135.08188	1.3
137.02437	1.5
145.02931	6.4
155.10802	2.5
158.52144	1.2
161.02473	1.3
161.04549	3.4
163.03981	3.6
169.01447	2.7
171.10275	1.5
173.13284	2.4
183.13821	2.3
190.50856	1.6
209.11829	18.2
210.12170	1.7
211.13368	2.3
213.14967	15.1
214.40416	1.2
221.06660	1.2
226.62111	1.3
227.12799	6.1
255.17529	4.2
305.22751	9.1
314.06918	1.4
319.24243	1.7
321.22104	8.7
337.25369	1.8
355.26385	25.4
356.26630	1.7
387.26273	4.0
391.30103	44.1
392.30453	3.8
399.25156	6.3
405.27921	17.5
411.29019	50.2
412.29251	4.7
423.29065	35.2
424.29315	4.1
435.29047	2.9
437.31027	1.8
439.32187	24.5
440.32413	3.2
453.30008	5.6
455.28098	1.9
471.31186	24.7
472.31714	2.6
483.31186	24.7
484.31201	2.3
497.32620	2.0
525.32074	2.1
669.38617	4.5
705.36438	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	705.45
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51530	0.3
59.01367	0.9
60.22051	0.3
70.18401	1.1
71.01357	0.4
76.80372	0.3
78.95905	9.3
79.10201	0.3
83.43393	0.4
110.98531	7.1
152.99567	1.2
167.01160	2.5
167.12985	0.3
209.11710	0.8
209.79247	0.3
255.23181	1.2
259.20651	0.5
275.20218	0.4
277.21710	100.0
278.22049	6.4
281.24857	2.8
375.74957	0.3
427.22577	1.0
445.23633	3.9
446.23572	0.3
605.66321	0.3
705.45251	5.8
706.45056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69968	0.2
56.24450	0.2
59.01367	0.9
59.49399	0.2
69.20969	2.2
69.21362	0.6
71.01382	0.5
73.02945	0.3
85.02953	5.3
87.00861	1.2
93.03459	2.7
109.02950	0.5
110.79234	0.2
111.04486	0.6
113.02492	0.2
127.04028	1.4
133.02940	0.3
133.10941	0.3
135.04532	0.9
149.63728	0.3
161.02486	1.6
167.25291	0.2
171.02931	0.4
173.04521	1.0
179.03438	0.6
191.05606	100.0
192.05960	2.7
249.30179	0.2
353.08759	15.8
354.09052	1.1
623.37341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18515	2.7
59.01374	14.0
61.98826	100.0
62.51295	2.8
63.14689	3.0
71.01369	8.8
73.02942	3.4
78.95888	10.6
79.14790	2.7
79.95729	3.5
80.96500	13.6
83.05009	4.6
98.20656	12.0
101.02424	4.0
113.02491	4.7
115.00388	2.8
121.02967	3.5
152.99615	5.5
166.70453	3.1
202.12877	4.0
209.11810	65.6
210.12074	3.4
211.13312	5.1
223.13333	37.4
227.12904	13.2
230.12961	4.5
277.21841	14.3
283.16183	3.2
285.03842	5.6
300.99832	4.0
320.87708	3.0
334.43198	3.1
387.01300	2.9
445.21072	4.1
459.22101	5.1
483.31241	6.0
485.20047	3.3
651.33301	3.3
705.31879	40.2
706.33142	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	705.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	18.2
61.98833	8.3
69.25424	7.6
71.01376	4.5
80.12181	0.8
81.03442	1.0
83.05038	5.4
85.02944	1.2
88.98789	1.1
89.02464	2.1
101.02452	2.1
112.97149	0.8
113.02447	1.5
114.33949	0.9
119.03516	1.4
125.02471	1.6
128.20981	0.9
161.04546	1.1
163.11263	2.9
165.12874	2.5
169.01469	1.3
171.10254	1.3
191.10764	1.0
209.11832	100.0
210.12193	5.9
227.12901	16.0
253.09341	4.8
274.06058	1.0
439.32074	3.5
453.30154	10.2
454.30573	1.3
483.31152	51.0
484.31461	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	704.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
61.98830	100.0
75.80555	0.2
78.95908	1.0
83.05000	0.3
101.02387	0.3
128.89673	0.2
152.99673	0.5
163.11343	0.4
199.57968	0.2
209.11829	8.0
253.09288	0.5
277.21725	7.6
278.22153	0.4
483.15274	0.3
484.15167	0.7
489.31976	0.3
557.19171	0.5
558.19196	1.2
644.23157	0.6
704.23724	2.3
704.42023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
61.98830	100.0
78.95907	0.5
82.56777	0.2
105.55557	0.1
125.02487	0.2
152.99611	0.2
169.01485	0.2
246.72093	0.2
277.21780	0.3
304.90527	0.2
510.21072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14667	0.2
58.24311	0.1
59.01377	0.3
61.98831	100.0
62.18697	0.2
64.67026	0.2
71.53493	0.2
75.00882	0.2
78.95909	0.8
152.99600	0.4
209.11891	0.4
211.13420	0.5
212.13844	0.2
213.14069	0.2
248.56142	0.2
277.21732	0.3
461.64636	0.2
560.55487	0.2
704.37994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.2
61.98835	2.1
69.03419	1.9
69.62200	5.5
69.62626	8.0
71.01376	5.3
72.99284	1.9
89.02425	2.2
96.36346	1.7
96.96024	3.8
98.15797	1.8
98.19973	2.4
107.01362	4.2
121.02928	6.9
123.00802	2.9
125.02431	13.6
135.03015	5.1
137.02373	2.5
147.04498	2.9
151.00359	8.8
163.00327	2.9
163.03966	2.6
165.01895	4.1
165.05557	5.8
169.01390	15.8
177.45219	1.8
178.99881	5.8
191.05534	6.5
217.91522	1.8
243.02811	5.2
245.00974	1.9
255.03014	13.5
271.02435	27.8
275.09348	2.5
300.02740	76.2
301.00095	3.4
301.03476	32.9
311.97714	2.4
313.05759	2.7
380.87598	2.5
463.08838	16.3
550.87158	2.0
615.09827	100.0
616.10022	10.5
705.20142	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	705.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71532	0.6
53.06296	0.7
56.21095	0.5
59.01384	4.9
60.42849	0.6
61.98829	1.7
65.00333	0.7
65.69120	0.5
67.01889	1.4
68.99802	0.5
69.03454	2.4
69.36043	5.2
71.01392	2.5
72.99314	1.1
73.02934	1.1
73.58926	0.6
79.01897	1.1
81.03455	0.8
83.01416	1.2
85.02983	0.9
85.97574	0.6
87.00883	1.0
89.02449	1.2
95.01385	0.9
96.96033	0.7
97.02965	3.4
101.02428	1.6
107.01410	5.2
109.02961	0.8
111.00883	2.5
114.40974	0.6
117.03481	0.7
119.05010	0.7
121.03024	0.6
123.00883	4.6
124.01671	4.8
125.02446	100.0
126.02765	3.0
127.00371	1.0
133.02899	1.0
136.98781	1.1
137.02461	2.6
139.00383	3.6
139.04021	1.1
140.01149	4.3
145.02974	2.0
149.99565	2.3
150.03235	3.4
151.00380	2.3
152.03661	0.7
161.02434	1.0
163.03995	1.9
165.05560	2.0
168.00647	11.6
169.01419	98.9
170.01749	3.5
175.04059	1.0
177.05605	0.6
181.05017	3.1
183.02968	2.8
196.07350	2.9
197.08141	0.9
197.33286	0.6
208.81482	0.6
211.09735	2.6
225.07591	0.9
227.03517	0.7
255.02992	1.5
283.02362	2.1
284.03305	0.7
285.03958	1.6
342.13141	2.3
347.07718	8.8
357.15359	2.6
447.09055	0.8
562.99817	0.6
705.23712	67.7
705.32581	5.0
706.24091	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	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02859	1.0
58.11405	1.2
59.01377	1.7
60.99305	5.6
61.98836	11.8
64.46695	1.1
69.40574	8.9
71.01385	1.4
71.05010	2.6
74.90862	0.9
78.58807	1.0
108.39350	1.0
111.71222	1.1
145.02907	3.5
149.51387	1.0
150.03247	1.1
169.01448	1.6
197.02174	2.7
205.15913	2.6
407.15204	1.0
425.34219	7.9
441.33612	4.3
442.33728	1.5
443.35275	50.2
444.35568	5.4
451.08380	1.1
457.33459	1.5
461.35754	1.3
475.34235	12.2
487.34238	17.2
488.34430	2.4
503.33585	1.8
505.35361	100.0
506.35529	11.5
574.68164	1.2
627.52960	1.4
667.41229	1.4
703.25989	2.2
703.38342	27.3
704.39050	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	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57724	11.3
56.51262	12.5
56.55987	12.0
60.63604	11.9
61.98827	100.0
63.99228	13.6
73.40108	13.3
78.95894	35.4
152.99643	19.7
171.10184	32.7
194.34972	15.8
207.10364	17.5
241.14418	54.0
255.23241	36.1
258.58078	13.8
277.21649	66.1
516.54999	14.4
704.45251	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	703.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73108	28.9
52.11942	27.1
61.98829	47.5
70.27358	100.0
73.45518	27.5
78.95898	68.8
79.69631	30.5
81.05215	27.3
96.82153	27.0
98.19946	31.5
171.10260	56.6
225.11292	38.7
238.65724	36.8
255.23354	46.8
277.21640	88.4
333.38434	30.9
468.87335	38.0
645.60370	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.5
59.01374	0.8
60.99305	2.8
61.98829	3.5
68.06837	0.5
69.47021	4.1
70.93466	0.5
71.01380	0.7
71.05013	2.6
83.05061	0.5
85.06581	1.0
92.76177	0.6
98.19769	0.7
117.03447	2.1
125.02452	1.5
145.02960	4.5
146.03313	0.7
149.69315	0.6
169.01384	1.6
197.02211	3.6
205.16042	2.6
300.12015	0.6
307.08893	0.5
316.88589	0.5
393.27951	1.0
405.31509	0.7
409.31189	0.8
411.32632	1.6
425.34238	16.8
426.34283	2.5
439.32333	0.6
441.33902	4.0
443.35278	100.0
444.35641	13.0
457.33298	1.2
461.36490	1.8
469.84485	0.5
475.34241	5.1
487.34299	33.7
488.34811	4.3
505.35379	47.3
506.35712	5.9
600.07996	0.6
617.04401	0.6
637.23047	1.6
649.22351	1.4
703.38464	12.0
704.38788	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	704.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04520	0.1
55.10297	0.1
59.01381	2.0
61.98829	100.0
62.98549	0.1
69.43857	0.7
74.83115	0.1
80.86543	0.1
168.32417	0.1
194.86087	0.1
209.11887	0.1
248.82811	0.1
275.22159	0.1
277.21823	0.2
311.30719	0.1
315.93051	0.1
483.15002	0.2
484.15643	0.4
498.17102	0.2
500.19220	0.1
555.19312	0.1
556.19049	0.1
557.19122	0.3
558.19244	1.0
575.16254	0.2
589.17932	0.1
641.22931	0.1
643.22363	0.1
644.22717	0.6
704.23700	2.2
705.23669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48309	0.3
59.01378	6.7
60.50384	0.4
61.98835	4.2
71.01373	1.3
71.53309	0.4
73.02924	0.4
78.95899	1.5
80.96495	0.5
83.84734	0.4
85.02942	0.6
89.02445	1.1
101.02424	1.3
104.30885	0.3
113.02444	0.9
115.21052	0.3
118.90748	0.3
125.02348	0.4
132.28462	0.3
152.99532	0.8
158.02264	0.4
161.04509	0.7
165.12854	0.4
171.10231	0.7
179.05566	0.5
183.13889	6.0
193.12360	1.6
197.11748	0.4
209.11818	1.3
211.13379	100.0
212.13695	4.9
235.08249	1.1
253.09293	3.8
295.22836	0.8
429.21262	0.9
439.88052	0.4
447.22345	6.5
448.22546	0.8
535.19110	0.5
623.34247	1.0
640.97791	0.3
641.36450	0.5
656.12793	0.5
701.37433	1.1
702.38715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67089	0.8
55.45306	0.7
59.01371	2.3
59.13761	0.8
60.99305	0.8
61.98541	1.2
61.98831	14.2
71.04994	1.5
87.00893	0.9
89.02375	0.8
97.02896	0.9
108.88310	0.7
109.02888	1.1
119.04961	0.9
123.00909	0.8
125.02434	3.0
133.02925	1.5
135.04485	0.7
137.02490	1.1
139.04005	1.0
145.02922	0.9
153.01804	0.9
160.01602	0.8
161.02409	2.7
163.03972	1.2
167.03371	0.9
169.01396	3.0
179.03413	1.3
195.06604	0.8
197.02229	6.4
300.99960	1.1
363.11581	1.0
369.05307	1.1
391.30258	1.3
407.29510	1.1
409.30829	1.1
421.31052	2.5
425.30423	1.0
441.33737	3.8
457.32947	3.6
485.32623	4.1
501.32104	2.3
503.33783	100.0
504.34152	11.0
549.23206	1.1
701.36865	22.3
702.36810	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	701.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81703	1.8
57.03441	4.2
59.01373	6.8
60.99310	9.3
61.98831	73.5
62.69620	1.6
69.69064	1.6
70.65269	1.7
71.01376	6.0
71.05028	10.4
71.53136	1.8
72.59348	1.7
73.02912	2.2
75.90463	1.5
81.03467	1.7
81.03944	1.7
83.10899	1.7
93.03507	2.7
96.37267	1.8
97.06607	1.8
101.02399	2.3
101.06064	8.6
109.02947	2.9
109.95348	2.0
116.92867	6.2
117.03471	3.7
119.05054	3.2
123.00908	2.0
123.04539	2.6
125.02452	5.6
135.03062	2.0
135.04564	4.3
136.01591	2.4
137.02458	6.0
145.02956	9.0
150.03218	2.5
151.03961	3.3
161.02422	4.9
163.04012	3.0
165.01881	2.1
165.05540	2.2
167.03435	2.4
169.01439	3.9
171.10306	2.2
177.02037	2.1
185.80180	2.0
193.05035	2.1
197.02226	5.1
205.15999	4.3
205.32767	1.9
284.54269	1.8
285.04205	2.6
351.26941	2.9
352.15765	1.8
355.26520	7.4
369.27795	6.4
373.69827	1.7
387.25394	2.2
389.27008	2.3
399.25421	3.5
401.26999	2.5
413.26917	3.6
423.32852	14.6
437.30569	1.9
439.32193	7.7
441.33698	64.2
442.34036	6.1
455.31409	5.0
457.33194	9.7
459.34637	10.5
473.32727	30.9
474.33395	3.6
485.32727	31.8
486.32950	3.5
491.33841	3.6
501.32086	7.0
503.33774	100.0
504.34155	11.9
626.86932	2.3
701.37103	21.5
702.37323	1.8
702.74347	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	701.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01413	2.6
61.98827	6.7
66.61667	0.6
68.66698	0.6
69.49390	1.1
69.49793	3.1
71.01421	1.4
71.05042	0.8
85.03018	0.8
101.02480	0.8
110.80384	0.7
115.63647	0.7
117.03507	0.8
121.03001	1.0
122.03806	0.8
125.02501	1.8
132.02197	1.2
133.02942	3.2
134.03792	1.4
135.04546	4.7
137.02475	1.5
145.02977	1.7
149.06123	1.2
150.03247	1.2
160.01630	0.8
161.02435	8.4
161.06081	0.9
163.04016	0.9
165.02022	0.9
167.07082	1.0
169.01477	1.6
175.04031	1.2
179.03604	2.2
179.07111	0.9
193.05154	1.6
195.06795	0.7
197.02197	7.9
235.06094	1.6
295.08160	1.0
300.02667	1.7
307.08282	1.3
389.28345	2.3
407.29431	2.5
409.30920	0.9
457.33133	1.9
459.34512	0.8
460.35184	0.8
466.80948	0.7
485.32889	1.3
503.33765	100.0
504.34033	11.8
549.23224	1.3
639.13873	1.2
701.24457	3.3
701.36676	22.0
702.25745	1.0
702.36932	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	701.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27320	0.6
59.01375	6.0
61.98835	2.9
71.01378	4.7
71.53663	0.7
74.15802	0.6
75.00877	0.6
83.01369	0.9
85.02960	1.7
86.00108	0.9
87.00888	1.2
88.98798	1.2
89.02428	3.2
93.03461	0.9
96.95981	1.4
99.00880	1.2
101.02432	2.1
108.02158	2.1
109.02956	2.4
113.02469	1.8
116.82079	0.8
116.92836	3.2
117.03457	1.4
119.03490	0.9
119.04981	1.4
121.02969	2.3
123.04481	1.2
125.02472	2.7
132.02190	3.9
133.02959	43.5
134.03773	5.6
135.02908	1.7
135.04529	44.9
136.04834	1.6
137.02441	4.0
139.04013	1.3
139.55577	0.6
143.03563	0.7
145.02962	1.6
147.04561	1.1
148.05338	2.8
149.02428	1.5
149.06071	7.7
150.03258	1.0
151.04028	1.6
153.01942	0.9
159.04424	1.0
160.01642	2.3
161.02441	100.0
162.03174	6.9
163.04034	5.7
165.05571	1.6
166.06346	5.6
167.07101	0.9
169.01414	2.6
175.04034	2.7
177.05571	14.9
178.02737	3.1
178.04518	0.7
179.03494	43.9
180.04031	0.8
181.08739	1.3
185.79810	0.7
189.05405	0.6
193.04984	2.0
195.06657	0.8
203.03552	0.8
216.00914	0.8
221.04552	18.9
235.06087	1.5
251.05595	15.6
257.13828	0.7
281.06647	30.9
282.06882	1.0
285.03748	0.8
295.08148	0.9
300.02713	0.9
301.03400	1.0
302.58612	0.7
323.07697	2.5
340.08005	4.8
341.08728	20.4
342.09070	1.4
349.00940	0.7
456.62714	0.7
502.14850	5.0
503.33615	0.9
519.14795	1.6
635.01831	0.7
683.23804	1.0
701.24463	49.8
702.25415	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	701.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
70.04864	0.6
70.39649	0.5
80.05924	0.5
85.24799	0.5
99.83325	0.6
106.47461	0.5
110.63751	0.5
149.62288	0.6
179.70473	0.7
391.66122	0.6
437.12527	0.7
438.13272	3.7
439.13608	1.0
451.14426	1.6
452.14798	1.7
453.15671	0.7
467.13437	0.6
470.12433	0.6
479.13232	0.9
480.14468	0.9
481.15143	36.1
482.15536	6.2
494.91013	0.6
495.16751	13.7
496.17395	2.6
497.18381	7.3
510.98624	0.6
514.14716	3.4
523.16235	0.9
525.14362	0.7
539.15637	3.0
540.16455	9.3
541.17023	1.1
554.18298	3.6
555.18835	64.2
556.19098	11.0
572.15399	17.6
573.15735	2.5
586.17084	7.1
587.17657	1.5
609.20026	1.9
627.20929	1.5
641.22504	30.5
642.22833	5.5
701.24622	69.7
702.24872	14.6
716.57959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95315	1.0
56.50544	1.0
59.01379	100.0
60.97057	1.0
61.98820	2.9
78.82050	1.1
78.95893	4.6
92.07448	1.1
96.97778	1.3
125.02486	1.4
155.30428	1.2
171.10179	1.7
201.11237	1.6
209.11806	2.5
210.00430	1.2
227.72198	1.2
228.98126	1.3
255.23294	5.9
277.21674	2.7
295.22665	2.7
323.77359	1.1
408.17346	1.1
438.13342	4.4
439.13339	1.6
452.14893	2.6
481.15176	47.3
482.15646	7.3
495.16827	12.6
496.17307	2.6
497.18173	4.9
514.15131	2.1
539.15839	2.1
540.16339	13.4
554.18512	3.1
555.18878	82.1
556.19116	12.2
567.18439	4.1
569.20459	2.9
572.15558	25.9
573.15643	3.7
586.17090	5.4
609.20068	1.9
630.13873	1.4
641.22510	35.0
642.22900	5.7
649.28015	1.3
701.24683	71.1
702.25079	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	701.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07481	0.4
58.11818	0.5
58.22158	0.5
59.01354	0.6
60.99286	1.8
61.98824	2.5
62.01818	0.4
71.05019	7.1
83.05035	0.6
85.06613	0.5
98.19847	1.1
159.33736	0.6
197.02226	2.3
205.15970	3.9
229.03304	0.6
337.25342	1.8
339.26880	0.7
351.26898	1.5
355.26196	1.5
369.27982	1.9
379.30008	1.0
389.26950	0.7
391.26163	0.6
407.29666	0.8
409.31094	0.6
413.26392	0.5
421.31323	1.1
423.32727	13.7
424.33124	1.7
437.30472	1.6
439.32169	4.8
440.32388	0.5
441.33719	100.0
442.34009	11.8
455.31967	2.2
459.34711	1.7
473.32709	6.8
473.38736	0.6
474.32645	0.7
485.32736	32.4
486.33228	4.2
503.33762	17.5
504.34073	2.1
539.28326	0.6
701.36841	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	701.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33939	1.1
51.28252	1.0
51.43165	1.2
55.36968	1.0
59.01366	3.9
61.98831	14.5
71.01373	2.0
71.05016	6.2
71.53580	1.5
83.01351	1.2
85.06569	1.6
89.02444	1.6
95.05048	1.6
96.46007	1.3
97.02940	1.9
121.02939	1.6
125.02422	4.2
137.24017	1.3
139.03250	1.1
139.04044	11.4
161.02438	5.6
169.01439	2.6
171.36594	1.1
197.02194	4.8
209.04408	1.1
312.34488	1.2
360.07349	1.2
373.25690	3.9
377.28366	3.1
386.39209	1.4
388.91098	1.2
393.31601	12.7
394.31985	1.3
407.29510	1.8
409.31219	1.4
425.30414	7.1
427.32007	3.5
455.31570	2.5
457.33228	13.6
458.33649	1.2
459.34821	39.3
460.35172	4.4
473.32758	5.9
491.33771	100.0
492.34158	13.5
501.32028	4.3
503.33981	6.5
535.33136	1.7
549.22748	2.1
622.90503	1.4
701.36182	15.5
702.36694	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	701.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23081	0.3
59.01389	1.9
59.27446	0.4
63.10626	0.4
69.18340	1.6
69.18764	2.1
71.01368	1.8
73.02932	0.7
75.00871	0.4
77.00949	0.4
77.03987	0.5
85.02976	1.0
87.00887	1.1
89.02447	0.5
89.03978	0.4
93.03463	0.4
99.00915	0.3
101.02435	1.0
101.68056	0.3
104.02693	0.4
105.03461	1.6
108.02184	0.9
109.02972	0.9
111.00936	0.4
113.02443	0.8
117.03468	1.6
121.02968	1.8
122.03749	1.8
123.04562	2.0
125.02477	1.0
132.02170	3.8
133.02950	47.8
134.03784	7.0
135.04521	14.1
136.01669	0.5
137.02434	4.8
139.04034	1.8
145.02998	0.7
146.03763	1.1
147.04582	0.6
148.91098	0.4
149.02419	2.5
149.06067	1.6
150.03209	6.3
151.04065	0.8
160.01633	2.5
161.02435	100.0
162.02791	3.3
163.03960	0.6
164.04771	0.9
165.05574	3.3
166.06320	1.3
167.07143	1.2
169.01453	0.9
175.04015	4.5
176.04776	0.5
177.04185	0.5
177.05569	1.2
178.02698	2.2
179.03500	8.8
179.07132	1.0
180.03949	0.5
181.05084	0.6
181.08727	0.9
193.05032	2.8
200.37543	0.3
205.05087	0.5
219.07280	0.4
221.04584	1.7
235.06105	1.1
256.17148	0.4
271.02521	1.2
275.84875	0.4
281.06653	0.5
295.08521	0.6
300.02679	1.8
301.03250	0.6
329.13922	0.6
337.09286	0.9
343.13980	0.9
491.19357	1.1
504.16351	7.3
505.16782	3.0
513.29376	0.4
519.18750	3.1
521.20520	0.7
521.37323	0.4
539.21570	1.3
549.23425	1.0
557.83405	0.5
559.18140	10.1
560.18610	0.7
627.67834	0.4
653.22290	9.1
654.22717	1.2
657.10925	1.5
665.22437	5.9
666.22388	1.1
683.23383	21.6
684.24023	3.2
701.24481	28.8
702.24872	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	701.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
61.98826	1.9
69.03483	1.0
71.01383	2.6
75.00827	0.8
85.02940	1.1
93.03491	1.0
96.95996	1.1
101.02438	0.9
105.03448	0.8
109.02959	1.7
113.02488	1.1
117.03430	1.4
121.02946	2.8
122.03734	2.3
123.04531	0.9
125.02447	2.6
125.69572	0.9
127.78719	0.7
132.02179	1.9
133.02956	38.6
134.03674	3.0
135.04520	36.1
136.04848	1.5
137.02461	1.1
145.02985	0.8
149.02438	5.8
149.06059	2.4
150.03230	13.1
151.00386	1.0
151.04012	1.9
159.04478	0.8
160.01619	0.9
161.02437	100.0
162.02805	3.5
164.04762	2.0
165.05568	10.8
166.06285	4.2
167.07127	1.3
169.01465	1.2
175.03979	2.3
177.05566	4.7
179.03500	17.9
179.07129	1.2
180.04095	1.3
195.06628	2.8
203.03539	1.7
211.13318	0.9
221.04567	4.8
243.03052	1.5
255.02968	3.7
271.02524	4.9
300.02759	13.5
301.03503	4.9
301.85019	0.8
314.11545	1.6
323.07703	36.4
324.07782	1.8
329.13779	1.6
337.09247	1.6
362.05399	0.9
382.30438	0.7
501.14087	1.6
505.09863	15.6
506.10229	1.8
519.14972	10.5
520.15515	1.4
524.01294	0.8
533.16467	0.8
571.65839	0.8
683.21716	1.4
701.24396	56.3
702.24731	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	701.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.59715	0.3
63.02398	2.4
65.00327	4.0
71.01405	0.3
72.99279	0.3
77.88783	0.3
81.03484	0.3
83.01385	3.2
86.52650	0.3
91.01875	0.3
93.03456	1.7
96.95987	0.7
98.20652	1.0
107.01392	10.2
108.02180	0.4
109.02959	2.7
109.97517	0.3
119.01345	0.4
121.02955	8.0
123.00929	0.5
125.02445	1.3
133.02911	0.3
135.00909	0.4
135.03003	0.4
135.04495	0.5
137.02414	0.3
139.04010	0.7
149.02431	1.2
151.00368	36.8
152.00720	0.8
159.04504	0.7
161.02438	0.6
161.06003	0.4
163.00351	2.4
164.01120	0.6
169.01469	2.0
175.03961	0.7
178.99854	15.0
180.00317	0.4
183.04472	0.5
187.04021	0.6
190.99968	0.4
192.00615	0.5
193.01399	0.6
199.03979	0.4
201.05504	0.7
203.03458	0.4
211.03995	1.2
227.03421	1.5
229.05081	1.3
229.25717	0.3
233.83157	0.3
239.03516	0.6
245.04625	1.7
255.02962	2.5
256.03616	0.4
257.04443	0.7
266.02084	0.4
271.02399	1.5
273.04013	2.1
283.02509	0.8
300.02573	1.3
301.03516	100.0
302.03827	5.9
355.06375	1.3
361.84833	0.3
422.47571	0.3
489.86816	0.3
505.09958	1.6
523.23187	0.3
528.45471	0.3
561.42194	0.3
615.09729	0.7
657.10968	3.0
658.10834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55210	0.6
59.01365	1.0
63.02380	2.4
63.81969	0.6
65.00330	4.7
71.01382	1.2
71.53000	0.8
71.53379	0.8
72.17252	0.6
83.01392	3.0
93.03461	2.0
107.01398	10.0
109.02969	3.3
119.01398	0.8
121.02954	8.5
123.00793	0.6
125.02386	1.5
145.02968	0.9
149.02420	1.5
151.00366	35.8
152.00754	0.7
161.02438	1.4
163.00377	2.5
169.01396	2.1
175.04108	0.7
178.99858	18.3
187.03990	0.8
193.01234	0.9
201.05534	1.1
211.03938	1.0
227.03499	0.7
229.04904	1.3
245.04510	1.9
255.02913	2.2
260.12439	0.6
271.02426	1.1
273.04050	2.0
283.02463	1.2
288.19592	0.6
300.02780	1.2
301.03516	100.0
302.03967	5.2
355.06775	1.3
382.63760	0.8
406.50363	0.7
436.37762	0.8
505.09918	1.9
519.60577	0.6
528.87939	0.6
531.10455	0.6
650.56281	0.6
657.11218	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	699.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01379	100.0
61.98829	46.4
66.24762	0.8
71.01389	7.2
73.02943	3.0
74.56973	0.7
75.00861	0.9
80.91688	1.7
81.07549	0.7
83.01393	1.7
83.05006	0.8
85.02956	4.3
87.00856	1.2
88.98806	1.0
89.02459	1.5
93.03412	1.1
95.01399	0.9
96.96020	2.1
99.00912	1.2
101.02471	6.9
104.96954	0.8
109.02958	0.8
113.02444	3.7
121.02944	1.3
123.00850	1.5
125.02442	3.1
137.02438	1.8
139.11223	0.8
145.02946	1.6
147.04506	7.5
150.03201	2.8
151.00410	0.9
153.17046	0.9
161.02454	1.7
161.04558	3.6
162.03125	0.8
165.05525	1.9
168.00581	1.0
169.01384	1.8
175.03923	1.1
195.06610	2.5
196.49196	0.8
197.02252	1.3
197.11862	1.1
209.11839	4.0
211.13441	1.1
227.12749	1.1
235.13519	1.4
248.05205	0.8
257.23920	0.8
271.02090	1.2
285.04004	0.9
285.24500	0.8
299.99124	0.9
300.99631	2.2
313.05817	1.2
322.28848	0.9
327.21460	1.1
343.13754	1.0
455.31607	2.7
457.33127	3.1
477.35565	2.9
481.87268	0.9
489.31976	4.2
495.63364	0.9
499.31036	1.0
501.32236	17.3
502.32559	2.4
503.19153	1.4
519.33405	1.3
602.12244	1.1
639.41083	36.9
640.41473	6.3
699.23401	1.8
699.35114	3.6
699.43542	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	700.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07354	0.1
59.01359	0.2
61.98829	100.0
69.51875	0.4
69.52283	0.7
119.56427	0.2
121.81517	0.2
152.99571	0.2
174.44046	0.2
209.11867	1.5
210.12328	0.4
253.09433	0.2
253.21729	1.7
254.22087	1.0
255.23268	1.0
255.46162	0.2
259.26178	0.2
277.21906	0.3
293.21326	0.2
295.22980	0.2
363.27097	0.2
384.21329	0.2
708.00000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.0
60.96919	0.6
61.98830	100.0
72.10748	0.6
78.95924	1.2
125.57719	0.6
167.28207	0.7
255.23383	0.7
290.57361	0.6
306.96451	0.8
371.34750	0.7
503.47906	0.7
630.68219	0.8
698.31445	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	698.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28388	0.2
56.88312	0.2
59.01380	11.4
60.01709	0.7
61.98830	100.0
78.26805	0.2
98.20674	0.7
121.02968	0.3
173.00906	0.3
212.45186	0.3
229.90118	0.3
231.77733	0.3
473.32690	2.0
475.33221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92915	0.3
54.16402	0.3
59.01377	0.4
61.26881	0.3
61.98828	100.0
71.53294	0.4
71.74249	0.3
73.88397	0.3
91.54732	0.3
95.01385	0.3
96.96000	0.3
97.10682	0.3
121.03043	0.3
171.10281	2.9
185.42299	0.3
197.11777	0.4
277.21564	0.4
306.80292	0.3
309.20819	0.8
471.50253	0.3
473.32501	1.7
474.33121	0.7
475.33817	0.4
476.33847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98827	100.0
62.44733	0.1
62.98537	0.2
69.27273	0.3
69.27676	0.8
71.01382	0.1
71.05022	0.1
75.13280	0.1
85.85789	0.1
104.21703	0.1
104.22507	0.1
104.87099	0.1
162.29176	0.1
175.03979	0.1
238.63110	0.1
263.97455	0.1
284.59915	0.1
349.63889	0.2
441.33954	0.3
473.32803	1.7
474.33353	0.5
475.33551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47068	0.1
59.01350	0.2
61.82048	0.1
61.98830	100.0
62.98531	0.1
90.12202	0.1
96.95991	0.1
104.19758	0.1
118.15466	0.1
129.71941	0.1
160.32352	0.1
180.03111	0.1
185.68622	0.1
213.05646	0.1
342.77942	0.1
475.37064	0.2
476.36694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.5
61.98832	3.2
70.94193	0.8
71.01371	2.7
73.02951	0.6
78.95915	0.4
80.02676	0.8
81.03454	0.9
83.01426	0.4
83.05018	2.5
85.02958	0.7
87.00860	0.7
89.02449	1.9
93.02601	0.3
95.01402	0.5
95.05041	0.5
97.06564	0.4
99.00851	0.4
101.02437	2.9
111.00889	0.4
113.02451	1.3
119.03492	0.9
125.02424	0.4
145.05000	0.6
161.04541	1.2
163.11256	1.5
165.12819	1.5
179.05554	0.5
181.12338	0.6
189.50589	0.4
191.10770	0.4
199.09738	0.8
201.11314	1.5
209.11813	62.8
210.12177	2.4
227.12875	7.8
228.13092	0.4
233.19078	0.8
235.08229	5.2
244.71501	0.3
251.20140	100.0
252.20459	4.7
253.06685	0.5
253.09279	7.5
254.09740	0.4
277.21732	1.8
278.22037	0.4
469.04962	0.4
579.64252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39107	1.1
55.01880	1.6
57.03423	2.4
58.00590	3.2
59.01378	100.0
61.98830	17.3
71.01381	61.8
71.52511	1.2
71.52937	2.3
72.99321	4.9
73.02948	4.8
75.00851	2.0
83.00768	1.2
83.01382	2.4
85.02956	10.3
87.00871	2.7
87.04527	1.8
88.98822	1.3
89.02442	85.6
93.03463	2.2
95.01384	3.4
96.95999	2.9
99.00870	2.7
101.02438	27.7
109.02927	2.7
110.21799	1.2
110.41036	1.1
113.02454	24.5
119.03500	24.5
119.04940	7.1
121.02945	2.9
123.00893	1.5
125.02460	4.5
126.90495	1.5
131.03511	3.9
133.02986	2.4
133.45493	1.1
134.03787	1.9
135.02982	2.2
135.04518	5.1
136.01682	6.6
137.02411	3.0
143.03488	5.7
145.02966	3.1
149.04529	2.3
150.03285	1.5
151.03986	4.2
152.38156	1.3
153.87294	1.3
159.03021	2.2
160.01648	1.3
161.02480	7.0
161.04556	8.4
161.05696	1.3
163.03973	6.0
163.60028	1.4
169.01443	1.9
172.05275	1.8
173.06018	1.3
175.03970	2.9
179.03459	1.7
179.04231	1.3
179.05638	11.7
189.05551	2.6
190.06329	1.7
193.05133	1.9
253.05017	4.7
265.04987	1.6
279.06750	2.5
280.07410	2.4
281.04480	14.5
285.03769	1.5
296.06848	10.4
311.09305	6.5
321.07791	1.3
336.10062	3.3
411.32480	2.5
424.09454	1.4
424.86389	1.3
455.31589	5.0
457.12622	1.8
472.15656	2.4
475.30530	3.7
487.13876	6.7
487.18491	4.0
489.35654	1.6
502.16321	4.9
517.18634	50.9
518.19000	6.7
637.39447	18.3
638.39825	1.3
681.38354	3.0
697.26526	2.5
697.37787	16.4
698.38263	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	697.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
58.00593	1.5
59.01108	1.9
59.01378	20.7
61.98827	14.6
69.53595	7.1
71.01385	11.8
73.02942	2.0
75.00822	1.1
83.01396	2.1
85.02943	2.2
88.98767	1.4
89.02428	6.7
93.03452	1.2
95.01405	2.1
96.96007	3.8
99.00881	1.2
101.02440	5.4
109.02940	1.5
111.00911	1.2
112.64998	1.1
113.02496	5.5
117.03471	3.6
119.03562	2.2
119.05025	28.4
121.02931	2.0
125.02430	5.1
132.02151	6.5
133.02969	8.6
134.03740	50.6
135.02959	1.4
135.04446	4.9
136.01648	2.7
136.05302	4.6
137.02390	5.6
139.03983	1.3
145.02962	6.7
147.04503	8.2
148.05290	5.3
149.02374	1.7
149.06090	16.1
151.03989	1.4
158.03743	1.4
159.04489	1.4
160.01656	42.8
161.02373	4.4
161.04669	1.3
162.06828	1.4
163.02736	2.0
163.04007	20.4
163.07637	2.6
164.35265	1.3
169.01427	5.4
173.06097	2.6
175.03993	52.1
175.05542	2.7
176.04787	23.7
177.01942	4.9
177.05418	1.4
178.02679	10.5
179.03474	3.0
179.05751	1.2
191.07135	40.5
192.04276	2.4
192.07516	1.7
193.05040	75.4
194.05290	2.3
202.02820	1.4
207.06651	9.8
217.05101	5.9
220.03770	5.1
224.04691	2.6
235.06105	100.0
236.06445	5.7
238.06416	2.2
239.10997	1.8
241.08751	2.2
255.10234	4.2
265.07141	62.1
266.07748	2.0
269.11707	1.5
270.12436	2.4
283.09738	25.9
289.07114	1.4
295.08191	88.4
296.08514	5.1
297.11206	1.2
298.12326	2.5
307.08246	3.2
310.12271	1.4
311.09241	60.3
312.09521	4.0
323.07376	1.3
324.02695	1.4
325.10727	3.9
326.11545	31.4
327.11987	1.6
331.19092	1.5
337.09286	3.7
341.13934	56.9
341.31833	1.3
342.14209	3.1
355.10342	16.2
356.10425	1.7
389.25464	1.5
413.30573	1.3
473.32529	3.3
535.32733	4.1
637.39325	3.8
697.24512	4.6
697.35645	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	697.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29168	0.7
59.01375	8.9
61.98828	12.8
69.21055	3.2
69.21478	3.9
71.01383	5.4
72.99294	0.8
73.02960	1.7
75.00877	1.3
83.01389	1.4
85.02943	2.2
87.00874	1.7
88.98843	1.0
89.02444	2.2
95.01389	1.2
96.95995	4.9
99.00876	0.7
101.02432	3.7
105.03487	0.7
107.53712	0.7
109.02946	1.1
113.02464	1.3
116.92860	0.8
117.03462	3.5
119.03563	1.2
119.05016	16.8
120.05302	0.9
121.02969	2.6
124.00835	0.8
125.02428	1.9
130.02800	0.8
132.02168	25.0
133.02972	6.8
133.06610	1.0
134.03741	32.8
135.04535	12.6
136.01648	1.2
137.02438	3.0
145.02943	4.5
147.04446	1.1
149.06049	2.7
150.03128	0.9
160.01656	95.9
161.02446	13.5
161.06085	3.2
163.03993	12.1
165.01981	1.0
165.12854	1.9
169.01462	1.6
175.03993	100.0
176.04381	3.3
177.01830	0.9
178.02664	2.5
179.03471	10.9
183.13899	3.2
193.05046	18.7
195.06648	1.1
205.05106	1.9
207.06641	1.5
227.12938	2.0
235.06058	1.5
251.12827	1.0
265.07083	1.0
265.14362	1.3
281.08246	1.8
283.09671	1.4
285.03946	2.4
286.04495	1.3
293.13843	1.8
311.09372	1.2
314.11621	0.9
315.12439	1.2
326.11475	2.1
329.13913	2.0
341.13956	2.4
371.17056	2.9
389.25623	1.2
462.69565	1.0
471.16470	2.2
473.18304	1.4
475.30774	1.2
476.16895	2.1
485.18231	1.6
491.19080	4.7
491.33698	1.2
503.19159	7.4
517.20135	0.9
517.31641	1.2
535.21606	10.4
536.22455	1.1
561.19751	1.8
577.23273	0.8
637.24762	1.0
637.39301	1.8
667.23938	58.0
668.24298	9.8
679.23914	35.5
680.24664	5.4
697.24048	1.5
697.37390	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	697.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67003	0.8
59.01377	100.0
61.98829	95.6
62.22987	0.8
70.58795	0.8
71.01389	1.4
71.53457	1.5
113.10313	1.0
121.02929	2.2
142.99905	1.1
159.52513	0.9
173.00819	1.4
195.78812	1.0
209.04689	1.4
289.17844	1.1
446.59406	1.0
469.04880	1.1
473.32797	1.7
474.32718	6.0
475.33350	2.6
499.29550	0.9
517.35138	2.5
593.12604	1.4
667.58911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94564	0.5
51.88906	0.5
59.01386	1.8
61.98819	0.6
68.73724	0.5
69.50828	2.0
69.51252	1.4
71.01382	1.2
77.55250	0.5
83.01450	0.6
85.02968	0.8
101.02431	0.9
105.03449	0.6
108.02216	1.4
109.02965	5.7
113.02441	0.9
116.54513	0.5
117.03471	0.9
121.02914	0.8
123.00914	0.8
123.04535	1.9
132.02159	2.2
133.02963	39.7
134.03792	3.1
135.04530	30.6
136.01692	4.5
137.02449	1.5
139.04019	0.6
146.03700	0.6
147.04512	1.3
148.01665	1.9
149.02412	1.0
149.06079	1.7
150.03273	0.7
151.03973	3.6
153.05579	1.1
159.04482	0.8
160.01645	1.2
161.02443	100.0
162.02791	3.0
163.04025	4.2
164.01170	1.0
164.04886	0.5
165.01918	0.8
166.02739	4.2
167.03421	0.6
175.04007	2.1
177.01936	1.5
177.05576	3.9
178.02698	7.2
179.03496	20.8
179.07060	1.0
181.05078	8.5
191.03557	0.8
193.05046	10.0
203.03520	2.2
207.06549	0.6
209.04549	0.9
211.06129	2.7
221.04514	4.2
227.72398	0.5
240.04289	0.6
254.05858	1.1
255.06537	1.1
263.05588	0.6
269.08182	1.7
270.08832	0.5
280.05826	0.7
323.07706	35.5
324.08044	1.5
329.10287	1.8
343.11862	1.4
359.11411	1.5
413.30722	1.0
475.12332	1.7
505.13416	1.0
516.12537	3.3
517.13550	5.6
532.12140	1.1
534.13757	6.4
535.14569	3.0
697.21338	56.2
698.21790	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	696.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.7
61.98830	100.0
62.98512	0.2
62.99266	0.2
69.30132	0.9
69.30542	0.3
98.69780	0.1
120.67032	0.1
142.48907	0.1
176.20857	0.1
192.25447	0.1
237.28955	0.2
264.08463	0.2
297.48590	0.2
325.49356	0.2
330.05194	0.2
438.91138	0.2
472.35101	0.6
473.35623	0.5
474.35815	0.5
533.45929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12233	0.1
59.01375	1.1
61.98828	100.0
62.98518	0.2
63.99264	0.3
68.86510	0.1
71.01392	0.3
71.52946	0.1
75.00865	0.1
85.02972	0.1
89.02430	0.2
90.67431	0.1
96.96050	0.1
101.02454	0.2
125.02507	0.1
156.43907	0.1
175.03941	0.1
185.18773	0.1
239.90170	0.1
243.03004	0.1
246.04216	0.1
394.32224	0.2
426.31131	0.1
459.10800	0.1
471.35220	0.1
472.35294	0.5
473.32584	0.6
474.32867	2.8
475.33942	0.2
636.39069	0.1
661.34741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72298	0.2
61.98829	100.0
62.98522	0.2
67.00919	0.2
70.08179	0.2
70.46232	0.2
95.32930	0.2
145.02946	0.5
152.06985	0.2
159.64378	0.2
224.89885	0.2
242.68767	0.3
257.52237	0.2
414.25397	0.2
592.77136	0.2
633.37885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.58758	0.1
71.13367	0.2
71.13704	0.2
76.20264	0.1
80.64977	0.1
90.32332	0.1
94.46763	0.1
97.28402	0.1
117.61475	0.1
119.60589	0.1
145.02988	0.2
186.74207	0.1
212.87018	0.1
222.81297	0.1
257.50751	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	696.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49428	0.1
59.01375	0.6
59.80247	0.1
61.98828	100.0
64.48121	0.1
65.44258	0.1
71.01386	0.3
74.26064	0.1
74.49652	0.1
77.59383	0.1
82.05898	0.1
93.22107	0.1
98.19875	0.4
101.02446	0.1
101.59922	0.1
130.91406	0.1
133.02910	0.2
144.56779	0.2
165.14999	0.1
173.00906	0.2
191.77815	0.1
198.64191	0.1
214.44119	0.1
224.03928	0.1
233.43604	0.1
259.94043	0.1
364.86172	0.2
412.53033	0.2
472.35333	0.5
473.35562	0.5
474.35794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31813	0.2
59.01382	0.5
61.98827	100.0
62.88768	0.1
69.28343	1.4
70.43839	0.2
168.70476	0.1
198.16673	0.1
201.38469	0.1
472.35141	0.5
473.35577	0.4
474.35657	0.4
498.58517	0.2
529.81952	0.2
606.92389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15231	0.4
56.41049	0.3
59.01379	100.0
59.88364	0.4
60.01721	0.7
61.98837	1.5
70.46944	1.2
76.27653	0.4
78.95903	11.8
82.18980	0.4
98.80004	0.4
120.90375	0.4
148.99944	0.4
152.99567	1.5
195.72128	0.4
205.15947	1.3
209.11943	0.8
210.12125	0.6
255.23201	2.0
256.23615	1.5
257.23813	0.6
277.21658	0.9
303.92484	0.5
308.70200	0.4
356.17609	0.4
441.14713	0.5
458.17630	0.5
677.36041	0.7
695.30933	52.8
696.31268	7.7
696.42218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.4
60.88610	0.3
60.99296	0.7
61.98828	18.4
62.14519	0.3
66.57491	0.3
71.01368	0.9
71.05006	1.3
71.53112	0.4
71.53484	0.3
72.99277	0.4
75.00871	0.3
76.30185	0.3
78.95869	0.3
85.02926	0.5
89.02428	1.2
90.43951	0.3
101.02430	0.5
110.67822	0.3
119.03517	0.7
120.60963	0.3
135.04655	0.3
228.14021	0.4
265.10400	0.3
377.28503	0.6
393.31534	1.0
397.30984	0.5
411.32941	0.8
424.54822	0.3
425.30566	2.3
427.32068	0.8
455.31531	1.4
472.35434	0.4
473.32675	100.0
474.33023	11.5
486.32971	0.9
487.33316	1.3
515.33466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56576	0.2
57.75835	0.2
59.01380	16.9
61.89145	0.2
61.98831	9.5
63.99251	0.4
69.43442	0.5
69.43854	1.3
71.01399	0.3
71.05022	0.8
88.34940	0.2
89.02465	0.3
101.02441	0.4
119.03456	0.4
156.54881	0.2
189.72470	0.2
198.53363	0.2
221.02267	0.2
255.02991	0.3
325.69992	0.2
327.61411	0.2
336.06332	0.2
339.29849	0.2
409.34705	0.4
411.32532	0.4
413.34286	2.9
414.34647	0.4
473.36349	100.0
474.36655	11.6
635.41370	0.8
695.43884	0.9
696.43591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.0
59.01381	12.1
61.98830	21.0
69.03112	1.0
69.23325	7.4
71.01381	6.3
73.02925	1.9
75.00848	1.1
78.95889	1.1
80.91706	0.8
83.01369	1.6
85.02950	3.9
87.00880	1.3
87.83103	0.8
88.21465	0.8
88.98811	2.2
89.02452	2.5
93.03458	1.3
95.01439	0.9
96.96008	3.0
100.31895	0.9
101.02454	5.2
101.06098	0.8
105.03469	1.0
108.02174	1.4
108.45921	0.9
109.02955	2.7
111.00933	1.3
113.02431	2.5
116.92863	1.1
117.03479	9.7
119.05035	5.8
121.02929	2.3
121.23114	0.8
122.03749	1.4
123.00838	1.5
123.04487	1.0
125.02438	3.3
132.01254	1.0
132.02180	16.9
133.02983	4.3
134.03748	39.1
135.03001	1.1
135.04466	3.3
136.01666	36.6
137.02448	4.6
145.01895	1.6
145.02960	27.7
146.03349	0.9
147.04462	1.4
149.06110	5.0
149.38046	0.8
151.00372	1.0
151.04015	33.5
159.04475	2.2
160.01662	71.6
161.02444	6.2
161.06059	1.1
162.03146	1.4
163.04018	5.7
166.02637	1.4
166.99754	1.1
169.01366	3.5
175.04001	85.2
176.04465	4.3
177.01888	0.9
177.03941	1.0
177.05530	1.7
178.02676	2.5
179.03474	1.7
181.05031	0.9
187.03992	1.4
191.07080	4.0
193.05057	47.7
194.05344	1.5
205.05081	1.1
217.05188	1.3
227.03435	1.4
235.06079	1.3
255.02992	2.8
267.06641	0.9
279.06696	1.4
283.02591	1.7
284.03180	4.2
285.03995	4.8
294.08835	1.0
300.82690	0.8
307.08292	12.2
312.09863	2.2
313.05661	1.1
313.10684	0.9
319.43787	0.9
322.06824	1.2
323.07675	1.1
327.12332	11.7
337.09274	100.0
338.09607	5.0
342.10846	2.0
343.11856	10.8
357.13422	13.1
357.83389	0.9
373.13000	5.8
373.16995	0.9
471.31357	2.0
473.32373	1.2
487.34503	1.1
533.31384	1.5
543.20746	1.2
597.08722	1.4
598.09680	2.5
635.37518	1.6
651.32495	4.4
665.22327	1.1
695.23425	37.4
695.35608	5.3
696.23669	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	695.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.5
59.01629	0.5
61.98830	4.0
71.01380	4.7
73.02943	1.0
85.02947	2.1
89.02428	1.1
101.02462	1.5
108.02215	1.5
109.02943	2.0
111.00889	0.8
113.02452	1.4
117.03475	1.6
119.04994	1.5
121.02950	2.3
122.03783	0.7
123.04542	0.8
125.02441	1.0
132.02167	22.8
133.03004	3.5
134.03741	26.3
135.04529	1.4
136.01660	37.9
137.02382	2.5
145.02914	2.3
146.03642	0.8
147.04532	0.9
148.05286	0.9
149.06050	5.9
150.03203	0.8
151.04002	37.1
152.04356	0.7
160.01654	91.1
161.02380	4.0
161.06136	0.7
162.03235	1.0
163.04027	0.9
169.01389	0.8
175.03996	97.6
176.04517	3.8
177.05545	1.0
178.02733	1.2
179.03482	1.6
188.04961	0.9
189.05408	1.3
191.07124	2.7
193.05051	21.7
194.05365	1.0
202.02660	1.0
217.04987	1.3
227.03598	1.0
237.20123	0.8
277.07135	1.2
279.06778	1.2
284.03152	0.9
285.03922	1.7
294.08884	0.8
307.08133	0.8
312.09985	2.1
322.07111	1.1
327.12390	9.6
328.12668	0.7
337.09271	100.0
338.09656	6.0
342.11014	2.2
343.11844	10.2
357.09302	1.2
357.13412	13.0
434.77930	0.7
473.32733	4.3
695.23419	37.7
695.33887	1.4
696.23871	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	695.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53815	0.3
58.69673	0.3
59.01371	0.7
59.63760	0.3
66.31243	0.4
66.72257	0.3
67.46288	0.4
71.01391	0.8
71.50288	0.5
85.02956	5.6
87.00864	1.5
93.03441	2.5
111.04530	1.0
114.23798	0.3
127.04005	1.6
135.04526	1.2
161.02441	1.7
171.03094	0.6
173.04524	1.2
179.03488	1.0
191.05603	100.0
192.06018	3.0
202.59677	0.3
211.04112	0.5
227.03516	1.1
230.72575	0.4
255.02911	3.8
256.03543	0.4
283.02493	5.8
284.03183	2.0
285.04019	5.4
327.05078	0.6
353.08676	16.0
354.09253	1.0
439.80356	0.4
446.08798	0.9
447.09390	0.6
489.10202	3.0
531.10736	0.4
651.15723	3.9
680.30884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82808	0.5
57.03438	0.5
57.81013	0.4
59.01381	4.3
61.98830	4.8
63.11206	0.5
69.03435	0.6
69.27903	3.3
69.28304	1.2
69.86803	0.5
71.01375	3.7
73.02951	0.9
83.01394	0.8
83.61169	0.4
85.02962	1.7
87.00871	0.8
89.02453	0.8
89.03940	0.5
93.91631	0.5
95.01408	0.7
96.95976	0.5
97.02957	0.5
101.02457	2.1
108.02158	1.7
109.02947	1.9
113.02441	1.5
117.03423	1.0
117.53826	0.5
121.02935	2.2
122.03754	0.7
123.00900	1.1
123.04510	0.6
124.01707	0.6
125.02462	1.7
129.12477	0.5
132.02176	22.4
133.02966	3.1
134.02223	0.7
134.03745	28.3
135.04582	2.4
136.01663	41.8
137.02472	3.5
139.03970	0.7
145.02927	2.2
146.03770	0.8
147.04518	1.2
149.06078	5.0
150.03217	0.8
151.04004	35.6
159.04485	1.0
160.01654	88.7
161.02269	4.5
161.06094	0.7
162.03143	0.8
163.04015	1.5
169.01456	1.3
175.03996	95.6
176.03044	0.5
176.04512	3.6
177.01894	0.7
177.05571	1.4
178.02745	1.7
179.03479	1.2
187.03914	1.1
189.05583	1.1
190.06364	0.6
191.07117	2.1
193.05040	21.4
194.05330	0.6
202.02776	0.6
217.05026	1.2
235.06186	1.0
238.26369	0.6
251.07263	0.5
255.02963	1.6
256.89236	0.5
260.88620	0.5
267.06610	0.6
279.06696	0.9
283.02383	1.4
284.03201	1.1
285.03976	2.1
299.96460	0.5
312.10007	1.6
319.08344	0.8
323.07523	1.4
327.12329	7.1
337.09265	100.0
338.09668	5.0
342.10968	1.2
343.11838	9.5
357.13406	11.3
473.32584	3.4
487.34207	1.5
533.30792	0.7
577.81244	0.5
598.09491	0.8
635.37891	0.6
651.32501	1.2
665.22198	0.9
695.23395	33.2
695.34735	1.4
696.23828	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	695.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.9
65.00311	1.0
71.51894	1.7
93.03454	2.1
104.29253	1.0
107.01404	1.4
121.02999	0.9
135.02992	1.0
135.04492	1.8
151.00345	3.9
153.01984	1.3
161.02460	0.8
178.99881	1.1
182.72804	0.9
183.04521	3.8
187.03876	1.3
191.05621	3.2
211.04034	3.9
227.03493	15.0
239.03769	1.1
248.62286	0.9
255.02985	59.6
256.03522	4.7
269.04413	1.5
271.02551	1.4
283.02472	100.0
284.03174	23.8
285.04037	85.4
286.04401	5.0
297.03882	2.4
301.03415	1.3
326.04321	1.3
327.05115	4.3
334.01315	1.1
446.08521	17.9
447.03476	1.2
447.09299	14.6
489.10361	45.1
490.10760	3.1
531.11224	5.6
651.15619	54.9
652.15912	6.3
695.15869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88430	0.3
51.45057	0.3
52.04904	0.3
53.07027	0.3
53.64576	0.3
59.01370	1.5
66.68900	0.3
69.29008	2.7
71.01390	0.6
73.02949	0.3
81.46592	0.3
85.02950	6.0
87.00876	1.2
92.63598	0.3
93.03471	2.6
98.19949	0.7
101.02454	0.4
103.98274	0.3
109.02969	0.8
109.94156	0.3
111.04532	0.9
111.66517	0.4
116.92844	1.7
127.03992	1.3
130.14050	0.3
131.29105	0.4
133.02954	1.1
134.03767	0.4
135.04533	4.8
137.02426	0.6
149.06030	0.7
151.00404	0.4
161.02419	5.8
173.04509	1.0
177.05565	1.2
179.03482	6.4
183.04443	0.4
191.05602	100.0
192.05949	2.7
202.04723	0.3
211.03929	0.7
221.04617	1.6
227.03464	2.8
251.05545	1.7
255.02977	9.5
256.03433	0.8
281.06628	3.3
283.02454	17.2
284.03094	4.3
285.04019	14.2
286.04367	1.3
286.07361	0.3
310.90924	0.4
327.05020	0.8
341.08688	4.6
353.08737	14.7
354.09027	1.3
446.08524	3.0
447.09244	2.5
489.10275	7.7
490.10770	0.8
531.11432	1.3
532.11310	0.4
651.15674	10.6
652.15936	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	694.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04497	0.3
56.87379	0.3
58.00622	0.3
59.01381	16.8
60.01709	0.7
61.98830	100.0
66.65335	0.2
69.33900	1.2
69.34325	0.9
71.01404	0.4
71.05038	0.3
72.99338	0.3
75.00900	0.3
81.86074	0.2
82.82806	0.2
83.85009	0.2
85.02930	0.3
89.02454	0.7
98.20598	0.4
101.02461	0.9
113.02425	0.4
119.03522	0.6
120.37328	0.3
157.68060	0.2
163.91501	0.2
169.01463	0.3
174.36325	0.2
196.66173	0.3
393.31665	0.3
470.33441	0.6
471.34753	26.7
472.35110	54.8
473.32397	5.4
486.36426	0.3
513.12054	0.3
634.40619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50100	0.8
59.01389	7.7
61.98832	4.2
71.52789	1.3
72.42974	0.8
78.95907	20.4
80.02679	1.9
81.03445	2.8
83.05032	9.9
84.02154	1.5
95.05035	1.4
96.54620	0.9
96.96975	1.0
122.00118	1.2
125.06108	1.4
135.08118	1.4
140.01205	6.7
152.99602	3.1
163.11281	6.8
165.12840	3.3
171.10323	1.4
181.12329	1.6
191.10760	2.3
196.03763	5.0
197.11815	1.9
199.13365	13.4
209.11826	100.0
210.12158	5.0
227.12878	25.1
228.13235	1.2
253.09358	2.5
255.23288	58.6
256.23642	3.4
259.15536	1.2
277.21759	11.9
278.22131	1.6
452.27756	4.7
662.40387	19.3
663.40765	2.1
694.43011	49.8
695.43829	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1461
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
57.36004	1.8
69.82832	4.5
69.83244	5.6
72.66231	1.9
77.90968	2.4
91.54980	1.8
98.19964	2.1
109.77383	1.8
110.45463	1.7
151.00421	2.0
170.82295	1.8
183.04547	2.3
211.04147	3.4
227.03464	13.7
255.02983	56.4
256.03345	4.9
269.04462	1.8
283.02463	100.0
284.03159	23.4
285.04034	85.6
286.04443	5.4
327.05069	6.9
385.38513	1.8
393.72464	2.1
446.08344	16.6
447.09229	14.7
489.10352	41.3
490.11063	4.6
531.11517	5.6
648.19135	2.3
651.15607	58.4
652.15961	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	694.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
61.98828	100.0
71.01413	0.2
71.52876	0.1
78.95903	0.3
79.82132	0.1
88.50457	0.1
96.05294	0.1
97.59372	0.1
120.25489	0.1
125.02458	0.3
141.09317	0.1
145.02982	0.4
169.01453	0.1
249.18549	0.1
277.21713	0.1
307.76334	0.1
310.89630	0.1
631.35840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.98828	100.0
62.98534	0.2
71.53551	0.2
75.87191	0.1
76.16988	0.1
83.86411	0.2
93.03434	0.1
95.75600	0.1
145.02965	0.2
150.82625	0.1
168.31821	0.1
169.01385	0.2
243.33401	0.1
276.68918	0.1
331.55399	0.2
416.66159	0.2
593.45526	0.1
631.36920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53131	0.2
59.01382	3.7
61.98829	100.0
70.53790	0.5
70.54190	0.5
71.01385	0.4
71.05005	0.2
89.02424	0.2
101.02466	0.3
110.18685	0.3
143.71063	0.2
174.74524	0.3
183.55231	0.3
209.11841	0.9
210.12112	0.4
211.13452	0.6
212.13531	0.3
316.42035	0.3
391.29990	0.3
462.70483	0.2
471.35306	2.1
472.35596	5.6
505.12274	0.2
510.05505	0.3
533.23901	0.5
635.38190	0.5
636.21497	0.3
684.60724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	30.9
60.01692	0.2
61.98832	2.6
71.01376	0.6
78.95882	0.5
89.02438	0.3
92.34518	0.2
98.20702	0.3
99.00935	0.2
101.02451	0.7
102.56355	0.2
105.01456	0.2
113.02423	0.5
119.03535	0.6
139.64577	0.3
161.04549	0.3
169.01518	0.2
171.10271	0.6
183.49292	0.2
203.90979	0.2
211.13454	0.5
224.05460	0.2
228.17453	0.2
250.75560	0.2
423.32529	0.2
459.35236	0.3
471.34763	100.0
472.35150	11.6
633.39832	1.1
638.01154	0.3
693.42432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01717	0.6
61.98838	1.7
70.85484	0.6
70.85804	0.5
71.01385	0.4
78.95905	3.9
83.05009	0.7
92.24754	0.4
118.34991	0.4
125.02480	0.5
152.99620	3.5
155.00055	0.5
157.08730	0.4
163.11282	0.4
185.11900	0.4
197.11794	4.2
197.13318	0.4
209.11829	7.2
210.12254	2.0
211.12511	1.0
227.12962	1.5
235.08290	0.4
253.21761	1.0
254.22226	0.6
255.23277	2.3
277.21698	9.8
278.22122	0.8
291.23383	1.3
319.22940	0.8
455.17035	1.2
456.17249	3.0
457.17294	4.0
460.91461	0.4
507.21866	0.4
693.38513	5.8
694.43237	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	693.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14806	0.2
53.76840	0.2
59.01380	37.7
60.01699	0.4
61.98833	0.8
64.99502	0.2
70.28053	0.7
71.01394	0.6
89.02454	0.6
98.19971	0.2
101.02447	0.7
102.29301	0.2
102.62926	0.2
103.48103	0.2
113.02428	0.5
119.03520	0.5
185.00874	0.2
211.13478	0.3
221.06697	0.2
249.75739	0.2
252.17529	0.2
266.63678	0.3
407.33701	0.3
453.33810	0.6
455.31757	0.2
459.78983	0.3
471.34842	100.0
472.35190	15.0
485.35953	0.3
531.33368	0.8
633.39789	1.5
634.40894	0.2
693.41791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.8
61.98827	8.4
69.49862	2.3
70.09667	0.4
70.80722	0.3
71.01387	0.7
98.20627	0.7
99.89423	0.4
104.04818	0.4
119.03481	0.5
122.71444	0.3
128.62775	0.4
179.91049	0.5
179.92741	0.4
188.01385	0.3
221.06627	0.4
237.88480	0.4
471.34753	100.0
472.35083	12.4
485.36786	0.5
633.39575	1.1
693.41632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.8
61.98832	0.8
69.46876	2.8
69.47304	2.6
78.95905	33.9
81.03468	1.3
83.05019	4.8
84.02200	1.3
85.34341	0.7
95.05022	0.7
96.96999	3.0
152.99590	36.6
158.62529	0.9
163.11266	2.8
165.12813	2.8
171.00639	5.6
183.13824	1.0
185.11848	4.0
191.10791	1.0
197.11781	0.7
209.02069	0.9
209.11824	42.9
210.12175	3.8
211.13455	6.9
227.03351	1.0
227.12891	7.2
249.47133	0.8
253.21776	2.2
255.23291	100.0
256.23587	7.1
277.09967	0.8
281.24780	1.2
287.40027	0.7
363.12183	7.9
437.15854	5.3
438.15506	0.9
455.16821	2.3
456.17139	1.6
457.18210	6.9
608.16498	0.9
668.60370	0.8
675.14301	0.8
693.39746	93.5
694.39905	15.6
720.19171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.9
62.61156	0.5
78.95906	27.3
80.02681	1.1
80.46828	0.6
81.03426	0.9
81.40189	0.5
83.05016	2.8
96.96970	2.5
117.01543	0.5
135.08176	0.7
150.98125	0.6
152.99593	30.8
163.11287	3.2
164.14378	0.6
165.12875	1.8
171.00679	3.6
183.13916	0.7
191.10692	0.5
197.11850	2.1
199.13390	0.6
201.91322	0.6
209.11838	41.0
210.12170	2.2
227.03281	0.7
227.12898	6.1
228.13290	0.5
234.36316	0.6
237.22212	0.6
255.23296	100.0
256.23676	6.3
363.12158	6.6
437.15717	5.7
455.16522	2.5
456.17325	1.4
457.18121	2.7
465.25668	1.0
528.22516	0.6
600.02405	0.5
617.51874	0.8
693.39777	81.9
694.40143	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	693.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66658	0.3
53.20393	0.3
59.01378	32.6
61.98829	4.1
62.87110	0.3
68.61744	0.3
69.28144	2.7
69.28540	0.4
71.01385	0.8
78.69643	0.3
80.91366	0.3
85.02980	0.4
89.02417	0.5
91.93885	0.3
98.19870	0.6
101.02428	1.0
113.02478	0.8
119.03504	0.8
147.64241	0.3
153.12378	0.3
161.04645	0.4
163.02347	0.3
187.95079	0.3
205.16037	0.4
219.40900	0.3
306.15298	0.4
318.09189	0.3
407.33295	0.5
471.34760	100.0
472.35126	13.6
485.36130	0.7
633.39819	2.0
693.42499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40960	0.2
58.43621	0.2
59.01375	0.6
61.98828	100.0
69.46122	0.5
69.46541	1.1
71.01394	0.3
73.02958	0.2
75.00872	0.3
89.02430	0.3
96.96005	5.2
96.96600	0.3
101.02445	0.2
105.86379	0.2
113.02469	0.3
119.50961	0.2
125.02472	0.8
135.03006	0.4
137.02460	0.3
161.02423	0.4
169.01471	1.4
181.05057	0.3
209.11858	0.3
285.04013	0.3
286.04373	0.2
531.29779	0.9
629.22864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69120	0.1
61.98829	100.0
64.31967	0.1
67.61968	0.1
79.55219	0.1
85.06680	0.1
98.20694	0.2
104.30406	0.1
152.60603	0.1
176.04018	0.1
178.44801	0.1
282.39865	0.1
622.23859	0.1
648.47833	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	693.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	46.9
61.29148	0.9
61.98829	100.0
66.78249	0.9
69.21776	6.9
69.22183	1.5
71.01373	2.8
71.05023	2.1
78.95891	1.2
89.02427	1.6
101.02454	2.1
113.02417	1.0
119.03475	1.9
171.10275	1.2
209.11823	14.6
211.11514	1.2
211.13394	17.4
227.12830	3.7
253.09186	2.1
254.33774	0.9
295.22726	1.4
353.24338	1.0
407.33224	1.7
447.22391	2.7
451.31918	0.9
453.33969	4.7
469.33127	1.7
470.33453	2.3
471.35138	97.2
472.35599	8.9
487.34427	1.1
625.10211	0.9
693.31818	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	691.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42060	0.8
59.01381	41.1
61.98828	11.6
65.45415	0.7
68.28919	0.7
70.91519	0.9
71.01363	3.0
71.32909	1.3
71.97353	0.7
78.95921	5.1
82.13740	0.8
88.98791	1.2
89.02457	1.5
96.96972	0.9
97.06614	0.9
98.61151	0.8
101.02440	2.5
104.52984	0.8
113.02425	1.2
116.92785	0.7
125.08536	0.8
128.00900	0.8
138.54135	0.8
152.99570	2.2
169.01431	0.9
198.15845	0.7
207.10231	1.3
209.11789	0.9
225.11060	0.7
249.72809	0.7
293.21295	2.7
298.98398	1.0
300.99777	1.9
397.13797	1.2
409.31461	1.0
410.31778	0.9
439.32397	0.9
451.32303	8.1
452.32657	1.3
469.33234	100.0
470.33551	13.4
691.35968	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	691.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74655	0.7
58.08229	0.7
58.40568	0.7
59.01378	69.8
60.01719	1.8
61.98829	67.2
67.88766	0.7
70.37198	0.7
70.54202	2.4
71.01361	1.6
71.85368	0.7
72.90609	0.6
72.99291	0.6
75.11324	0.7
78.95898	4.7
89.02435	0.9
101.02393	1.1
113.02426	1.1
150.58556	0.7
152.99590	2.2
159.38664	0.8
161.04512	0.9
209.11874	2.2
248.25668	0.7
270.19821	0.7
290.78873	0.7
300.99896	1.0
457.29745	0.9
469.33197	100.0
470.33585	12.9
544.65112	0.9
631.37897	1.5
661.84998	0.8
691.33258	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	691.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28946	0.2
59.01379	33.8
60.01705	0.3
60.99312	0.4
61.98826	4.7
63.31168	0.2
69.03456	0.2
70.54168	0.5
71.01387	1.5
73.02953	0.3
78.95911	0.6
80.76073	0.2
85.02971	0.3
88.98804	0.4
89.02458	0.9
97.02928	0.3
97.06608	0.3
101.02448	1.4
104.51061	0.2
110.99023	0.2
113.02418	0.7
113.79815	0.2
119.03493	0.8
119.05053	0.5
125.02486	0.4
147.88481	0.3
152.99628	0.3
161.04543	0.4
169.01378	0.4
209.11810	1.9
227.12846	0.4
293.21127	0.7
407.33118	0.4
423.32816	1.4
425.34329	1.2
439.32593	0.3
457.33267	4.0
458.33649	0.5
467.31631	0.7
469.33206	100.0
470.33557	13.0
483.34647	0.4
501.32242	0.6
511.34406	0.3
590.14673	0.2
631.38159	1.4
691.41174	1.7
692.41516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78093	1.0
57.03449	2.2
59.01380	8.6
61.98827	14.6
64.92049	0.9
71.01382	6.0
71.53175	1.7
73.02950	1.3
73.11904	1.0
76.77862	1.0
78.95906	2.3
83.01376	2.0
83.05030	4.3
85.02955	2.0
87.00868	1.8
88.98800	1.1
89.02438	3.6
95.01425	1.1
95.05046	2.0
97.06596	4.4
101.02451	5.6
113.02442	3.8
119.03477	1.4
125.02373	1.6
138.01938	1.2
151.11285	11.4
161.04529	1.9
163.11272	3.6
165.12883	1.8
169.12347	74.9
170.12668	3.3
181.12299	1.2
195.10278	2.0
209.11823	47.5
210.12184	2.1
211.13315	2.1
213.11285	9.5
217.83810	1.2
222.70981	1.0
223.17004	1.4
227.12859	4.8
235.08206	1.7
253.09276	4.4
293.21161	3.6
300.99957	2.2
369.49976	1.0
431.19055	2.3
449.20056	5.1
491.33810	1.9
508.10742	1.1
632.29254	1.2
637.32538	1.6
641.31927	3.5
659.32813	100.0
660.33124	12.1
691.35394	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	691.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.7
58.29126	0.5
59.01383	4.3
59.11815	0.5
61.98835	10.3
70.28170	0.6
71.01376	3.2
71.53687	0.8
73.02938	1.0
80.02677	0.8
81.03448	0.9
83.01373	1.2
83.05037	4.9
85.02943	1.3
89.02427	1.1
93.03451	1.4
95.05004	0.8
96.96009	1.2
97.02978	0.6
101.02429	2.6
110.59248	0.5
113.02457	1.6
119.03475	0.7
119.05007	1.6
120.04524	0.5
125.02425	2.5
125.09704	1.1
127.11316	0.8
135.04478	0.7
137.02486	1.3
141.01978	0.6
145.03009	1.4
151.00356	0.7
161.02496	1.1
161.04539	0.7
161.06070	0.6
163.04007	1.9
163.11267	2.3
165.12804	1.6
168.00601	0.6
169.01411	2.4
171.10181	0.6
175.04054	0.8
180.21880	0.5
181.12378	0.8
183.13911	0.6
187.51518	0.6
199.09747	0.7
199.13506	0.5
201.02007	0.6
201.11333	21.1
201.13246	1.0
203.03499	0.8
209.11823	100.0
210.12178	4.5
227.12895	13.6
228.13251	0.7
229.01341	1.0
235.08099	2.7
253.09280	8.7
257.00903	1.0
275.02005	3.6
285.04163	0.7
285.28387	0.7
300.99847	12.1
302.00201	1.1
365.10361	1.1
375.21915	1.0
437.20346	1.0
445.20828	2.2
469.29761	0.8
488.34570	1.5
691.18958	3.7
691.33551	2.1
692.19421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08292	3.6
72.95470	1.0
78.95902	37.2
79.73074	0.9
80.02659	1.3
81.03439	1.9
83.05028	7.0
95.05000	1.0
96.96931	2.3
128.08737	0.8
132.79543	0.8
152.99582	59.8
157.50421	0.9
163.11273	5.7
165.12827	3.1
171.00624	5.9
181.12326	1.3
191.10765	1.9
209.11819	100.0
210.12199	3.0
212.49881	0.9
227.03258	5.6
227.12895	11.7
245.04234	2.2
253.21732	19.5
285.12198	1.1
338.18127	0.9
363.12076	8.3
381.13138	0.9
425.33054	0.8
437.15723	5.7
455.16849	88.8
456.17233	7.5
624.88715	1.0
636.21667	0.9
691.38239	67.2
692.38678	11.3
704.19580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.9
61.98835	23.1
68.99562	1.9
69.91118	1.9
71.01373	5.1
73.02957	2.1
78.95923	10.7
80.14279	1.9
80.24044	2.1
83.32571	1.9
94.41276	1.8
98.20689	3.5
101.02492	2.9
101.61636	1.9
149.02425	2.1
152.99574	2.8
177.92857	2.0
209.11819	29.4
451.31909	9.1
469.33212	100.0
470.33475	7.5
595.06311	2.3
691.38593	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	691.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.5
56.81744	0.4
57.03451	0.4
58.00579	0.6
58.99846	0.4
59.01379	17.3
61.98832	7.0
69.03455	1.0
71.01376	12.9
72.99297	1.1
73.02947	2.2
75.00887	0.6
78.95902	0.8
81.03416	0.5
83.01385	1.6
85.02930	2.6
87.00871	3.0
89.02441	11.1
95.01387	1.1
97.02972	1.9
99.00884	0.8
101.02440	9.6
109.02874	0.4
113.02453	5.0
117.03527	0.5
119.03519	3.4
121.02953	0.5
125.02471	3.3
128.14084	0.4
141.02000	0.6
143.03484	1.7
145.02972	1.1
161.02431	0.4
161.04564	2.2
167.10799	0.6
169.01421	0.7
171.10271	0.7
179.05626	2.9
179.14380	0.7
195.13885	6.6
196.14398	0.7
205.12357	1.0
209.11760	0.4
211.13310	0.9
221.06569	0.8
223.13379	5.6
228.13631	0.5
230.61005	0.7
235.08185	3.1
241.90912	0.5
253.09242	0.9
256.13126	1.1
263.07559	0.5
265.21863	0.5
275.20132	4.2
287.07669	0.8
293.21210	100.0
294.21591	7.1
305.08768	0.5
322.97324	0.4
323.09711	0.6
355.87991	0.5
388.54691	0.4
397.13486	23.6
398.14005	1.2
406.88983	0.4
415.14557	26.9
416.14978	1.6
469.29004	0.5
481.43646	0.5
498.29785	0.5
653.39532	0.6
654.27448	0.8
661.81433	0.4
691.36792	0.9
718.57794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
57.29959	0.3
59.01382	1.6
60.99302	1.2
63.32803	0.3
63.58808	0.3
67.01884	1.6
69.03473	0.7
71.01374	2.5
71.52476	0.3
73.02935	0.7
81.03465	0.9
83.05032	0.9
85.02946	14.2
87.00874	6.2
88.98840	0.5
93.03458	15.9
96.96007	0.5
99.04507	0.6
108.02174	0.6
109.02942	2.4
111.00849	0.4
111.04517	3.5
115.00375	2.1
119.05009	1.0
121.02985	0.5
123.04501	0.3
123.28119	0.4
123.53757	0.4
125.02419	0.6
126.89005	0.3
127.04008	3.3
129.01932	0.6
135.02946	0.5
135.04503	1.0
137.02444	1.0
145.03004	0.4
155.03471	0.9
156.42595	0.4
161.02394	0.7
163.03992	0.8
171.02951	0.6
171.04512	0.4
173.04527	8.7
175.07651	0.4
179.03508	1.0
191.05603	100.0
192.05916	2.0
193.08884	0.3
210.06804	0.4
225.05527	1.0
226.06284	1.5
227.07133	8.0
228.07451	0.4
231.03258	0.4
231.11824	0.3
255.10292	3.5
263.07077	0.7
266.05893	0.6
271.04633	0.6
279.06497	0.6
281.08304	1.5
289.07028	1.6
300.99750	0.9
307.06049	1.7
325.07239	0.5
339.63818	0.3
343.08029	0.6
353.08749	0.6
463.10809	1.9
476.91626	0.3
499.12225	2.3
517.13196	1.2
691.18695	47.6
692.18872	5.4
693.73462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.2
59.01378	18.4
61.98820	3.2
67.01879	3.2
70.80255	3.2
71.01385	13.8
72.74982	1.1
72.99290	3.1
73.02954	1.5
75.00863	3.4
79.01884	1.9
83.01392	3.1
85.02942	4.0
87.00845	2.6
89.02434	5.0
93.03439	1.1
95.01379	12.8
97.02936	2.1
99.00874	3.0
101.02449	5.7
107.01360	2.2
107.72028	1.1
108.02151	2.4
109.02938	4.1
110.00054	1.4
111.00880	5.6
113.02431	2.5
115.00347	4.3
117.03476	1.5
119.04988	1.8
121.02942	1.7
123.00885	41.2
123.04491	1.7
124.01664	2.6
125.02448	24.9
127.00363	2.0
132.02252	1.2
133.02948	3.0
133.06654	1.4
134.03766	1.8
135.03008	4.7
135.04500	2.7
136.01617	1.1
136.98825	2.5
137.02396	3.9
139.00357	18.7
139.03960	2.0
140.01128	4.9
141.01906	2.8
145.02896	4.2
146.03683	1.3
149.02406	2.0
149.06046	1.2
151.00308	1.9
151.03937	1.9
153.01929	2.4
157.01370	1.7
160.01640	2.9
161.02440	8.7
162.03223	13.4
163.04013	5.6
166.99857	20.3
168.00659	9.9
169.00003	1.9
169.01425	35.4
175.02521	2.5
175.04008	4.0
177.04150	1.4
177.05481	5.3
179.03462	2.0
181.01360	1.3
183.02942	6.0
191.05634	2.2
193.05029	1.7
194.99403	3.0
195.02989	2.3
241.04800	1.3
242.05829	1.6
271.02371	1.4
274.04532	1.3
283.10590	1.2
285.04001	1.2
289.07135	1.7
301.00009	1.2
302.07956	2.0
303.08630	2.7
307.19095	1.1
314.07993	3.7
317.06580	11.2
318.03845	1.9
318.07300	10.9
331.08203	15.8
332.09000	66.6
333.09656	19.5
337.09171	3.0
347.11230	7.8
348.12219	1.2
387.10861	12.4
434.13919	1.2
463.09195	1.5
478.12256	1.2
478.49591	1.3
481.15186	13.0
493.15073	37.5
494.15417	2.4
511.16064	37.3
512.16223	4.3
529.26660	4.5
539.21118	2.4
559.15234	1.8
647.28888	2.5
673.20953	4.7
691.22302	100.0
692.22552	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	691.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
57.29959	0.3
59.01382	1.6
60.99302	1.2
63.32803	0.3
63.58808	0.3
67.01884	1.6
69.03473	0.7
71.01374	2.5
71.52476	0.3
73.02935	0.7
81.03465	0.9
83.05032	0.9
85.02946	14.2
87.00874	6.2
88.98840	0.5
93.03458	15.9
96.96007	0.5
99.04507	0.6
108.02174	0.6
109.02942	2.4
111.00849	0.4
111.04517	3.5
115.00375	2.1
119.05009	1.0
121.02985	0.5
123.04501	0.3
123.28119	0.4
123.53757	0.4
125.02419	0.6
126.89005	0.3
127.04008	3.3
129.01932	0.6
135.02946	0.5
135.04503	1.0
137.02444	1.0
145.03004	0.4
155.03471	0.9
156.42595	0.4
161.02394	0.7
163.03992	0.8
171.02951	0.6
171.04512	0.4
173.04527	8.7
175.07651	0.4
179.03508	1.0
191.05603	100.0
192.05916	2.0
193.08884	0.3
210.06804	0.4
225.05527	1.0
226.06284	1.5
227.07133	8.0
228.07451	0.4
231.03258	0.4
231.11824	0.3
255.10292	3.5
263.07077	0.7
266.05893	0.6
271.04633	0.6
279.06497	0.6
281.08304	1.5
289.07028	1.6
300.99750	0.9
307.06049	1.7
325.07239	0.5
339.63818	0.3
343.08029	0.6
353.08749	0.6
463.10809	1.9
476.91626	0.3
499.12225	2.3
517.13196	1.2
691.18695	47.6
692.18872	5.4
693.73462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	10.3
61.37506	4.6
61.98830	100.0
71.01373	6.2
71.53160	6.3
71.53538	4.7
72.16908	3.7
74.11218	3.7
78.95889	9.9
89.02440	7.7
125.02458	5.0
158.64645	3.9
255.23299	15.1
397.13486	40.3
415.14523	6.3
653.37146	7.5
689.35162	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	689.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54003	0.7
59.01380	100.0
61.98824	5.2
67.33631	0.9
71.01387	3.9
72.99313	1.1
78.95898	1.2
82.71555	0.9
85.02945	1.2
89.02435	2.4
92.89996	0.8
97.06580	2.7
101.02412	4.3
113.02422	2.6
119.03472	1.8
119.77489	0.8
145.02959	1.4
161.04570	0.8
171.10205	1.4
207.10257	0.9
209.11864	4.5
211.13434	2.1
221.06525	1.0
225.11388	1.0
227.12843	1.2
285.60751	0.9
291.19592	2.1
371.25952	2.5
383.25766	1.3
385.27310	3.1
413.30264	1.2
421.31079	13.7
423.29013	2.5
437.30600	7.3
453.29913	2.5
455.31650	81.0
456.31998	10.6
465.29813	4.3
467.31659	41.6
468.32288	5.3
485.32755	1.4
499.30746	4.3
550.19965	1.0
629.36902	1.8
689.39075	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	690.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91895	1.2
59.01391	1.8
61.98828	25.1
69.32141	2.8
69.32551	5.7
71.01383	1.3
73.02954	2.1
78.95908	5.9
80.96515	1.9
88.98824	1.6
152.99567	3.9
160.73997	1.1
209.11803	4.8
295.22830	1.4
452.14777	1.6
481.15280	4.8
494.15405	1.1
495.16837	10.9
496.17090	2.5
524.17676	1.3
534.29871	1.3
536.16815	1.7
537.02405	1.0
540.16357	1.6
550.14905	1.2
551.19275	32.6
552.19531	5.0
554.18170	2.3
555.72937	1.3
586.17029	2.3
595.18286	4.1
627.20923	100.0
628.21240	18.7
630.21320	2.9
659.35632	1.7
690.23798	2.6
690.74310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
60.18750	0.9
61.98831	5.6
65.00304	0.8
67.01887	2.8
68.99799	1.1
69.03465	2.9
71.01382	3.3
78.51285	0.8
79.01900	1.5
81.03451	2.3
83.01411	2.2
85.02956	1.4
87.00882	1.5
89.02447	1.4
89.43300	1.1
93.03488	1.2
95.01401	4.0
96.96008	2.2
97.02960	2.6
98.19906	3.7
101.02435	1.8
107.01385	19.7
109.02956	2.5
111.00850	5.1
113.02464	1.4
116.21159	0.9
121.02958	3.2
123.00890	13.1
123.04527	1.7
124.01685	6.1
125.02446	75.6
126.02786	1.9
127.00374	2.5
135.04593	1.1
136.01674	2.4
136.98836	2.7
137.02423	6.6
139.00375	6.4
139.04024	7.0
140.01149	5.6
141.01982	1.6
142.58859	0.8
149.02274	0.8
150.03406	0.8
151.00401	1.3
151.04015	2.6
153.01901	0.9
161.02449	1.9
163.04010	1.0
163.11359	1.5
166.99850	4.2
167.03491	1.1
168.00641	11.9
169.01433	100.0
170.01813	2.8
171.10275	2.1
180.07970	0.9
181.01382	1.9
181.12343	1.2
183.03011	19.7
197.04553	1.2
199.13390	2.9
201.11377	1.1
207.10263	1.5
209.11803	7.9
223.09854	1.0
225.11330	2.4
242.77675	0.9
281.08420	1.4
301.00061	1.0
343.57095	1.0
437.30716	0.9
488.34717	1.8
489.35205	2.0
553.17334	3.6
659.21320	45.8
660.21857	7.3
671.21332	23.9
671.32758	1.9
672.21796	3.2
689.22504	37.8
689.34125	7.4
690.22772	6.6
690.33838	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	689.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.8
59.78339	0.7
61.98842	1.4
63.02408	0.9
65.00311	0.7
67.01878	0.7
71.01384	1.0
71.52940	0.8
73.02963	0.6
80.96526	0.8
83.01382	1.4
84.73969	0.5
86.50574	0.6
88.98798	2.9
89.02428	0.9
91.01888	0.8
91.86880	0.6
93.03435	1.9
95.01417	0.6
101.02431	0.9
107.01387	2.7
108.02161	1.8
109.02966	1.7
111.00896	0.7
123.00889	1.1
123.04514	0.6
125.02462	3.3
135.03017	1.1
135.04501	1.0
137.02458	0.8
145.02925	1.2
151.00369	7.1
152.01094	2.0
153.01788	0.7
161.02425	2.4
161.06161	0.6
163.00372	2.0
164.01186	0.8
167.03499	1.4
168.00621	1.3
169.01431	6.6
169.06534	0.7
179.05991	0.7
185.06108	1.5
187.03992	1.9
213.05646	1.3
225.00688	0.9
227.03490	1.1
229.05070	7.3
241.05109	2.0
241.70773	0.7
256.03787	0.9
257.04526	5.4
284.03500	0.8
285.04041	100.0
286.04346	6.2
313.05640	15.2
314.05798	0.8
332.77963	0.7
443.61530	0.7
599.10394	8.2
600.11115	1.6
689.21838	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	688.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03480	0.5
61.98831	4.9
71.01379	0.8
71.52026	0.8
71.52389	0.6
75.00871	1.9
92.34390	0.6
104.78500	0.6
107.01385	1.4
119.05033	2.0
121.02951	0.7
121.98906	0.6
135.02968	5.8
135.04553	1.3
146.81316	0.6
151.00360	5.8
155.26248	0.5
163.00327	0.7
163.04007	2.7
175.00443	0.7
175.04134	0.7
178.99820	1.6
179.37265	0.5
185.42729	0.6
199.03900	1.4
216.78204	0.5
226.02679	0.6
227.03447	2.0
243.02934	2.9
255.03062	1.8
271.02460	38.2
272.02869	1.2
281.06570	0.9
299.01941	75.2
300.02603	12.9
301.00137	1.4
301.03473	36.6
302.03864	2.1
313.03580	1.0
343.04523	1.5
434.60495	0.6
462.07965	22.4
463.08762	15.9
463.56296	0.5
464.09000	1.4
625.14050	100.0
626.14386	8.9
645.31158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
60.99320	0.8
61.98816	2.1
71.01372	3.7
74.99152	1.1
79.01921	0.9
80.96528	1.7
87.00864	0.9
88.98835	1.8
95.01414	0.9
97.02958	1.1
101.02441	1.0
105.67194	0.9
107.01373	6.5
109.02942	1.6
111.00890	1.2
113.02400	1.5
121.02927	1.3
123.00845	3.4
125.02442	37.3
126.02747	1.0
135.04491	1.0
139.00339	1.3
140.01176	1.5
151.00375	6.4
161.02419	2.5
167.03566	0.9
167.84241	1.0
168.00677	1.8
169.01418	57.0
170.01762	1.9
187.03934	1.5
211.02316	1.9
227.03458	7.1
229.05064	2.5
235.84492	0.9
241.03525	2.8
255.02939	15.0
256.03452	2.4
257.04510	1.8
284.03232	24.3
285.04010	18.9
313.05627	13.8
314.05832	1.1
447.09155	2.6
527.18213	1.8
537.15424	1.0
551.33124	1.0
599.10400	100.0
600.10608	13.0
663.36243	1.1
689.23419	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	687.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03864	0.5
56.29132	0.5
57.03442	1.4
59.01110	0.6
59.01376	6.1
61.98821	3.5
69.03449	4.3
71.01376	5.8
71.05001	2.2
72.99306	0.8
73.02948	1.1
80.02650	1.2
81.03442	1.9
83.01385	1.0
83.05026	5.2
84.02145	1.2
85.02948	2.3
87.00872	0.8
89.02446	3.1
95.04995	1.0
97.02926	0.8
97.06548	1.2
99.00886	1.3
101.02437	4.4
109.06577	0.8
111.40837	0.5
113.02386	2.1
119.03481	0.7
121.02929	0.7
123.08122	1.6
125.02425	2.0
125.09708	2.5
137.02469	0.8
137.09714	0.7
151.11270	2.4
153.12840	0.9
161.02399	0.8
161.04526	0.9
161.09700	3.8
163.11287	4.2
165.12827	2.3
169.01407	1.2
171.10359	0.9
179.10765	8.4
181.12314	0.8
183.10265	1.3
191.10739	1.3
197.11824	53.8
198.12140	2.2
207.10144	1.0
209.11812	57.7
210.12175	3.4
223.09735	0.9
225.11211	0.9
227.12889	5.0
241.10808	3.7
253.09378	3.1
253.20763	0.5
324.20532	0.7
433.08502	0.6
459.18774	1.0
477.19693	2.5
485.17847	1.0
487.34225	1.1
488.33981	0.6
489.35709	4.0
491.19400	0.6
503.19193	0.7
651.29858	0.6
657.29053	1.3
669.31219	1.1
687.32227	100.0
688.32574	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	687.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49992	0.8
55.55802	1.0
59.01366	1.9
61.98829	24.8
62.65800	1.0
63.42652	0.9
69.03448	2.2
71.04995	1.5
78.95904	31.7
96.96956	2.8
127.49805	0.9
150.98039	1.1
151.99094	0.9
152.99580	38.6
167.10844	5.0
167.11969	0.8
171.00629	4.3
175.54509	1.0
177.12880	1.3
179.10776	1.5
179.14383	4.0
195.13881	12.0
205.12323	9.3
211.13495	1.1
223.13387	59.0
224.13696	3.2
227.03307	5.0
245.04158	1.8
250.03555	0.8
253.21715	27.9
254.21867	1.6
255.23233	3.0
278.21878	1.0
279.22919	1.0
281.24686	1.7
303.29510	1.0
359.12619	4.2
433.16443	4.6
451.17374	100.0
452.17441	7.8
687.38702	35.1
688.38812	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.6
59.01363	2.7
61.98814	2.3
67.01875	1.6
69.83604	3.7
71.01392	3.8
73.02982	0.9
79.01895	1.4
83.01411	1.1
85.02973	0.9
85.77650	0.7
89.02422	1.1
93.03449	1.4
95.01406	3.4
97.02956	1.3
101.02419	1.4
107.01380	15.7
107.19722	0.7
109.02946	1.7
111.00885	1.0
111.08098	0.8
113.02429	1.5
116.92831	2.0
121.02933	1.2
122.03706	1.4
123.00886	24.6
123.04526	0.9
124.01657	1.0
125.02443	45.5
125.09752	3.3
126.02811	0.8
127.11308	1.3
133.02943	1.5
135.04509	0.7
137.02426	3.0
137.09695	1.7
139.00381	6.0
140.01109	1.4
141.01918	2.5
145.02928	2.4
145.35199	0.7
149.02425	1.6
150.03265	5.5
151.00348	14.4
153.01862	2.2
155.10789	3.8
161.02425	4.3
163.03992	1.3
165.01817	1.3
165.05576	5.5
166.02600	0.8
167.03534	1.3
168.00627	2.7
169.01421	87.5
170.01765	2.3
171.10246	1.9
171.94119	0.8
181.01363	0.9
181.04965	0.8
183.02921	1.0
183.13828	1.0
193.01389	1.2
195.02972	0.6
195.06624	2.3
198.24605	0.7
199.13306	1.2
201.14929	1.5
204.12662	0.9
211.02502	7.5
217.14499	2.1
229.14424	2.9
230.15045	1.0
243.66931	0.7
301.03128	0.8
313.05585	0.8
337.23654	1.8
349.51263	0.8
355.24905	4.4
373.25937	18.6
373.30597	1.2
374.26196	2.2
387.27582	6.8
415.27203	1.6
525.27179	1.7
535.25513	3.4
565.20715	2.3
624.14417	0.9
639.24542	1.5
687.32275	100.0
688.32690	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	685.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.2
61.98819	3.9
67.01866	0.9
69.61740	1.9
69.62151	4.9
71.01368	5.1
73.02930	1.4
75.00848	1.0
85.02948	2.3
87.00858	1.5
88.98795	2.0
89.02419	2.8
93.03415	4.5
96.95979	1.6
97.02889	0.9
99.00859	1.6
101.02434	3.4
107.01366	1.1
109.02943	1.3
111.00854	1.3
113.02443	2.5
116.92868	4.4
117.03463	32.7
119.03567	2.0
119.05028	50.1
120.05323	1.3
121.02962	11.1
123.00899	1.3
123.04530	2.0
124.89965	0.9
125.02425	3.8
131.04910	1.0
132.05807	3.9
133.02910	4.1
133.06607	12.7
134.03702	1.9
135.02963	1.3
135.04510	5.7
137.02386	1.8
145.02948	100.0
146.03316	4.2
147.04521	2.2
149.02379	1.6
151.00356	1.3
153.02008	1.2
159.04434	1.6
160.01738	0.9
160.05336	1.1
161.02425	12.7
161.04622	1.5
161.06065	31.6
162.03242	13.2
162.06372	1.5
163.04005	57.8
164.04356	2.7
165.05577	1.4
166.06371	11.4
169.01442	4.7
173.65405	1.0
173.91110	1.0
177.04086	1.5
177.05562	18.4
179.03499	1.8
181.04933	1.1
181.08676	4.7
187.03947	2.5
205.05042	38.1
206.05400	1.9
217.05269	1.1
235.06094	24.6
236.06490	1.0
265.07159	56.7
266.07486	3.1
285.04001	3.4
288.13086	1.1
300.02701	1.4
307.08127	3.2
323.07516	1.3
324.08041	1.6
325.09265	8.9
354.76050	1.2
459.34180	1.2
460.34781	1.8
503.15247	3.1
522.35144	1.4
602.42444	1.1
684.39838	1.3
685.24762	39.1
685.41394	1.5
686.25226	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	685.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66511	1.3
56.39417	1.4
59.01352	1.8
61.98804	5.3
69.24686	12.8
71.05010	3.3
85.06551	2.4
96.32363	1.7
98.19879	2.8
106.01079	1.5
125.02448	1.4
197.02150	4.5
205.15930	2.0
237.80879	1.6
266.95081	1.4
269.99576	1.4
325.25455	1.9
395.29465	2.3
425.34348	16.6
439.32040	5.3
441.33798	25.9
442.33984	2.2
443.35297	45.4
444.35583	4.1
457.33356	11.0
458.33679	1.9
475.34277	100.0
476.34601	13.6
485.32721	5.0
487.34302	45.5
488.34634	6.9
519.33173	3.5
685.37347	14.1
686.37573	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	687.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
59.01386	0.6
69.72715	2.1
71.01386	0.5
71.05019	7.3
79.52946	0.3
83.01386	2.0
85.02953	0.4
87.00878	0.5
89.02507	0.5
95.01425	0.3
95.05013	1.9
97.02953	11.3
98.81677	0.4
101.02410	0.4
113.02459	0.7
119.05044	0.8
139.04015	100.0
140.04352	2.1
153.05548	0.5
163.04031	3.8
165.01912	0.4
165.31729	0.3
169.01498	0.5
176.43932	0.4
181.05055	0.7
183.03029	1.1
191.05608	1.2
197.95473	0.3
207.03069	0.7
320.52261	0.4
345.08240	56.2
346.08548	2.4
449.99350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11077	0.4
59.01374	3.2
70.51471	0.5
70.51800	0.8
71.01376	1.9
72.84830	0.3
85.02946	6.6
87.00860	1.7
89.02440	1.5
90.02788	0.5
93.03448	1.7
96.47995	0.3
101.02423	0.9
105.94860	0.3
109.02953	0.9
111.04520	0.6
113.02451	0.8
119.03487	0.8
119.05016	3.8
121.03001	2.3
125.02441	1.2
127.03987	1.9
137.02374	0.4
169.01416	2.1
173.04578	0.9
175.02596	0.4
181.05046	0.6
191.05608	100.0
192.05907	2.4
210.60330	0.5
301.00089	0.4
327.86142	0.4
341.10977	1.9
342.11230	1.4
343.06708	32.8
343.10660	3.5
344.07004	1.4
380.26508	0.4
452.22971	0.4
519.53027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69023	0.4
59.01384	2.2
61.98839	2.1
66.21181	0.3
71.01385	1.8
73.02940	0.7
83.01392	0.4
84.20457	0.4
85.02936	1.3
87.00920	0.7
88.98797	0.7
93.03469	1.0
96.96014	1.9
101.02437	1.2
108.02206	1.4
111.00873	0.7
113.02451	0.6
116.92935	0.6
117.03465	34.4
118.03809	1.1
119.05032	14.3
121.02962	3.0
121.43950	0.4
122.03743	1.4
123.04531	2.0
125.02441	2.6
133.02951	1.8
134.03734	1.5
135.04544	1.8
137.02446	0.6
145.02954	100.0
146.03275	2.5
147.04518	0.4
149.02432	3.2
149.06096	0.6
150.03215	9.7
151.03963	0.8
161.02451	1.6
161.06058	0.9
162.03171	0.8
163.04012	14.0
164.04712	0.8
165.05565	5.0
169.01419	2.4
177.05576	2.7
179.03458	0.6
179.07162	1.0
180.04277	0.9
181.05084	0.9
181.08672	0.6
195.06633	0.6
205.05075	0.7
227.03387	0.7
232.68393	0.4
255.02945	1.2
284.03342	0.8
285.03983	0.7
329.13928	0.7
459.16605	1.7
488.16809	1.3
489.17648	4.0
491.19321	1.2
521.20227	0.9
539.21405	1.5
543.18811	9.3
544.19208	0.8
563.60645	0.5
637.22900	25.4
638.23364	3.5
639.48688	0.5
641.11475	3.2
649.23077	5.0
650.22626	0.6
667.23920	11.0
668.24255	1.4
685.24884	9.9
686.25342	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	685.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42806	0.4
52.06820	0.5
57.03444	0.8
59.01376	6.4
61.98807	1.8
63.02391	1.8
65.00319	1.4
69.49690	2.5
71.01381	4.2
72.99295	0.7
73.02938	1.5
75.00876	3.0
83.01386	1.6
85.02945	2.0
87.00905	0.6
88.98792	1.4
89.02434	1.7
90.85605	0.4
91.01906	0.6
93.03461	2.5
95.01350	0.6
96.95984	1.3
99.00890	0.6
101.02466	2.4
105.81039	0.5
107.01372	4.1
108.02213	0.5
109.02950	1.8
111.00844	0.9
113.02421	1.4
116.92841	0.7
117.03474	1.5
119.05013	1.4
121.02957	0.8
123.00861	2.4
125.02441	3.6
129.01894	0.6
133.02930	1.8
135.00905	0.7
135.02966	1.0
135.04517	2.0
137.02432	1.6
139.00365	0.8
139.03984	0.5
140.01152	0.9
143.05003	1.3
145.02959	4.4
145.06334	0.4
146.03357	1.4
149.02428	0.6
151.00386	7.6
153.01848	0.6
157.06535	0.5
159.04498	1.3
161.02409	3.0
163.00356	1.8
163.04018	1.4
165.01866	0.8
168.00645	1.1
169.01453	4.5
171.04524	1.0
175.03951	0.6
177.04025	0.6
179.03485	1.1
183.13835	1.1
185.06076	2.0
187.03961	2.5
189.05508	1.4
191.05553	0.9
197.06111	0.9
199.03981	0.5
211.03966	1.7
211.70859	0.4
213.05566	2.1
227.03456	2.1
229.05040	8.8
239.03441	1.1
241.05031	2.0
245.09671	0.5
249.26447	0.4
255.02896	0.7
256.03882	0.7
257.04529	5.9
284.03351	0.6
285.04031	100.0
286.04428	5.3
291.61545	0.5
295.04333	0.7
300.99869	1.0
307.08322	1.7
308.08667	1.3
309.08337	0.5
355.06693	15.8
356.07187	1.0
375.27359	1.1
522.24658	0.8
523.24811	0.9
536.31433	1.1
537.32605	3.6
667.23492	0.7
685.26202	0.8
685.37646	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	685.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.1
59.16940	0.2
61.98813	0.7
63.02396	0.8
65.00319	0.5
69.31596	1.7
69.91193	0.2
71.01386	1.1
71.05021	0.2
79.01910	0.2
83.01380	0.5
89.02410	0.3
91.01897	0.4
93.03459	2.0
95.01382	0.4
96.95972	0.5
101.02439	0.5
101.93543	0.2
107.01391	3.1
109.02951	1.0
109.82000	0.2
113.02448	0.7
117.03450	0.7
119.03545	0.2
121.02976	0.2
123.00871	1.1
125.02441	3.1
130.04202	0.3
131.05008	0.5
133.02925	0.4
135.00861	0.9
135.04530	0.5
137.02425	0.5
137.80884	0.2
139.00330	0.6
140.01128	0.8
143.05049	1.3
145.02963	0.5
151.00362	3.8
153.01939	0.4
154.04179	0.4
155.04987	0.3
157.06572	0.9
159.04546	1.9
161.02451	0.6
163.00363	2.2
165.01965	0.6
167.04974	0.6
168.00621	0.4
169.01459	4.2
169.06554	1.0
171.04503	0.7
173.06024	0.3
175.04018	0.3
179.03580	0.3
183.04523	0.5
184.05298	0.3
185.06064	3.4
187.03987	3.8
189.05531	1.1
195.04584	0.7
196.05318	0.3
197.06076	0.9
198.03079	0.3
199.03989	0.6
201.05568	0.5
211.04005	2.1
212.04660	0.4
213.05579	1.8
214.02748	0.4
215.03468	0.4
223.04106	0.3
227.03479	3.7
229.05057	11.7
230.05334	0.5
239.03494	1.5
240.04303	0.8
241.05087	2.0
243.02779	0.3
255.02991	1.9
256.03735	0.9
257.04562	7.0
258.04831	0.2
267.03012	1.0
279.12445	0.2
284.03271	1.4
285.04028	100.0
286.04367	5.7
295.04395	0.3
320.05316	4.0
320.55487	1.7
321.05661	0.5
355.06702	8.6
356.06921	0.6
394.31662	0.3
426.30936	0.3
459.35046	1.2
460.35107	2.7
461.35223	0.7
479.13565	0.2
489.10089	0.5
504.34491	0.3
522.35199	1.0
523.35248	0.3
542.35608	0.2
641.11780	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	684.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65732	0.2
58.15095	0.2
59.01385	0.9
61.98827	100.0
71.01380	0.4
78.22845	0.2
101.02420	0.2
121.02969	0.2
155.94872	0.2
301.00061	0.2
457.33588	0.3
487.34518	0.3
504.34592	0.3
550.99329	0.2
624.41516	0.6
684.36963	0.2
685.35248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98828	100.0
62.98540	0.2
67.97153	0.1
71.01380	0.5
71.01893	0.3
73.02949	0.1
74.30161	0.2
85.02939	0.3
85.04980	0.1
101.02451	0.3
125.02485	0.3
138.91701	0.2
161.99812	0.2
209.11897	0.2
496.34799	0.2
503.33902	0.3
504.34326	0.6
624.41333	0.4
684.24371	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	684.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25252	0.1
59.01370	1.1
60.33239	0.1
61.98831	100.0
62.98536	0.1
63.25323	0.2
71.01378	0.4
71.53304	0.2
72.15755	0.1
85.02950	0.1
89.02438	0.2
96.96053	0.2
101.02431	0.2
121.02972	0.3
165.01918	0.2
169.01509	0.2
235.08498	0.2
274.53781	0.2
348.66202	0.1
441.33994	0.1
457.33228	0.2
474.33273	0.2
487.34821	0.2
504.34436	0.4
624.40973	0.5
685.35443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34112	0.2
56.67050	0.3
59.01379	0.8
61.42509	0.3
61.98827	100.0
69.35759	0.6
69.36162	1.9
71.01379	0.4
89.39541	0.3
95.25432	0.3
143.78658	0.3
145.02979	0.8
169.01297	0.3
277.21964	0.5
461.13947	0.3
592.15735	0.3
649.37933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
57.03445	3.4
58.00575	0.7
59.01379	38.0
60.99300	1.4
61.98822	2.3
71.01383	48.1
71.37418	1.2
72.01704	1.1
72.09982	0.7
72.99300	2.6
73.02946	25.6
75.00866	3.1
83.01385	11.0
83.56842	0.6
85.02457	1.2
85.02950	21.0
86.00114	1.5
87.00864	2.9
89.02445	7.4
93.03438	1.3
93.75061	0.7
95.01380	4.0
96.96024	0.9
97.02908	1.2
99.00894	5.2
101.02438	36.6
102.02766	0.7
106.53012	0.6
107.04999	0.7
109.02882	1.5
110.17867	0.7
111.00877	2.0
113.02446	17.0
116.92853	1.5
117.03487	1.1
119.03477	2.2
119.05029	9.5
121.02952	1.0
123.00909	0.8
125.02444	2.3
127.71011	0.6
129.01942	0.8
131.03464	0.9
133.02956	11.5
134.03755	3.3
135.02927	3.0
135.04524	36.0
135.11823	0.9
136.01656	0.8
136.04857	1.6
137.02448	3.8
143.03461	1.5
145.02950	3.0
146.24654	0.8
147.08154	13.0
148.05281	1.2
148.08432	0.7
149.06062	7.6
150.03308	0.8
151.04025	1.0
154.44144	0.8
159.02943	3.1
159.04228	0.8
161.02446	36.9
161.04468	10.7
162.02785	1.2
163.04025	8.9
169.01421	1.4
175.03972	1.4
177.05566	15.4
179.03496	43.6
180.03830	2.5
181.08440	0.7
193.05112	0.8
203.03421	1.3
221.04543	20.8
222.04845	1.9
224.04865	1.0
251.05598	25.5
252.05992	2.1
255.10190	1.2
258.01532	1.0
265.07141	0.7
281.06656	47.7
282.07034	3.2
283.09656	6.4
284.10168	0.9
285.00232	1.2
295.09769	0.8
298.12088	0.8
299.08939	0.7
299.16565	3.2
301.18106	1.1
307.08371	0.7
311.09265	12.8
312.09634	2.4
323.07690	2.4
325.10840	1.2
326.11563	7.8
327.12122	1.4
341.08798	25.4
341.13794	4.0
342.09164	1.9
367.29449	0.7
374.25052	0.9
439.32047	1.6
459.34769	6.7
460.35361	1.3
477.35693	2.1
479.22760	2.7
499.94186	0.7
521.23920	40.4
522.24268	7.7
597.25934	0.8
621.40051	16.5
622.40277	2.3
639.09991	2.6
639.26227	7.7
639.41211	9.4
640.26624	1.3
683.22931	4.0
683.40076	100.0
684.23676	1.2
684.40503	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	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13980	0.7
57.03446	4.7
59.01371	4.0
61.98835	3.8
71.01371	4.0
73.02953	1.3
80.02658	0.6
83.05036	1.0
85.02967	1.4
87.00883	2.1
89.02457	2.2
95.01411	0.7
95.05025	1.5
97.06593	15.8
101.02431	4.2
113.02441	2.0
123.08144	8.8
125.02415	0.8
125.09721	81.2
126.10043	3.1
145.05052	1.1
161.04568	2.3
169.08687	2.0
187.09750	35.7
188.10054	1.2
235.08241	2.6
253.09258	2.7
261.13232	0.8
277.21704	45.6
278.22037	3.4
299.00061	0.6
305.18884	0.6
310.33481	0.6
385.93936	0.6
405.17654	5.0
415.93427	0.8
423.18726	4.9
521.34918	0.8
589.39038	0.7
683.40051	100.0
684.40424	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	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.3
59.01159	0.5
59.01385	5.6
61.36188	0.6
61.76569	0.5
61.98821	1.7
69.20050	2.1
69.20481	3.4
71.01382	5.8
71.61132	0.5
73.02923	1.1
78.95908	0.8
80.44295	0.5
83.05049	0.6
83.44752	0.5
85.02945	1.1
87.00877	0.7
89.02437	5.0
95.05038	1.5
97.06587	14.5
101.02434	3.4
113.02427	1.6
119.03489	0.5
123.08149	7.0
125.02427	0.8
125.09724	100.0
126.10058	2.2
138.41553	0.8
140.93935	0.7
143.10780	1.4
161.04524	0.9
169.08664	2.5
173.50679	0.6
179.05556	0.9
187.09752	72.1
188.10110	2.6
211.09795	0.7
253.09320	2.5
261.13553	0.8
267.75931	0.6
277.18896	1.1
277.21738	14.9
278.22040	1.3
297.68112	0.6
405.17609	5.7
423.18692	19.5
424.18939	1.1
476.67087	0.6
479.65515	0.6
487.74719	0.7
523.27209	0.6
683.40100	95.5
684.40424	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.0
57.03434	3.0
59.01379	20.6
60.99313	1.8
61.98826	4.1
71.01380	40.8
71.53792	1.1
72.99299	1.4
73.02949	17.8
75.00873	1.5
75.74939	0.8
83.01395	7.8
83.03564	0.8
85.02449	1.6
85.02946	20.5
86.00074	1.2
87.00867	3.4
88.98802	3.0
89.02441	4.7
93.03419	1.3
93.91546	0.8
95.01383	3.7
96.95969	1.6
99.00883	6.6
101.02446	30.0
104.66386	0.9
109.02947	1.1
111.00858	1.3
113.02445	13.4
117.03450	3.4
119.05025	6.3
121.02968	1.1
123.04483	1.2
125.02427	3.3
129.01930	1.0
132.02174	2.2
133.02962	25.1
134.03554	1.6
135.04523	7.2
136.01628	1.1
136.04936	0.7
137.02415	1.6
143.03519	1.3
145.02966	7.6
146.03368	1.7
147.08141	4.3
149.06110	1.0
151.04024	2.2
159.02977	2.9
160.01663	1.6
161.02446	63.5
161.04437	9.6
162.02754	5.8
163.02876	0.8
163.04056	6.1
164.04778	1.9
167.03575	0.8
169.01428	3.2
175.03975	2.4
177.05594	1.9
179.03520	5.1
179.07146	1.9
193.05074	1.2
220.48524	0.7
221.04436	1.4
232.08891	0.9
255.03125	0.9
264.68320	0.8
271.02194	1.2
299.01965	2.1
301.17841	1.4
304.86066	0.8
307.08151	3.0
308.08655	0.9
315.12418	1.0
323.07709	1.6
324.08102	1.6
325.08121	1.4
341.08783	1.1
459.34912	8.4
460.35138	1.8
477.17560	1.3
477.35745	2.3
521.23956	12.9
522.24365	1.7
547.18164	1.1
591.38904	4.0
603.39349	1.4
621.40118	10.7
639.26172	4.6
639.41394	5.1
640.41339	1.7
653.22504	15.3
654.22601	3.2
665.22375	10.9
666.22803	1.9
683.22772	16.4
683.40118	100.0
684.23352	2.6
684.40363	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	683.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
57.03445	3.4
58.00575	0.7
59.01379	38.0
60.99300	1.4
61.98822	2.3
71.01383	48.1
71.37418	1.2
72.01704	1.1
72.09982	0.7
72.99300	2.6
73.02946	25.6
75.00866	3.1
83.01385	11.0
83.56842	0.6
85.02457	1.2
85.02950	21.0
86.00114	1.5
87.00864	2.9
89.02445	7.4
93.03438	1.3
93.75061	0.7
95.01380	4.0
96.96024	0.9
97.02908	1.2
99.00894	5.2
101.02438	36.6
102.02766	0.7
106.53012	0.6
107.04999	0.7
109.02882	1.5
110.17867	0.7
111.00877	2.0
113.02446	17.0
116.92853	1.5
117.03487	1.1
119.03477	2.2
119.05029	9.5
121.02952	1.0
123.00909	0.8
125.02444	2.3
127.71011	0.6
129.01942	0.8
131.03464	0.9
133.02956	11.5
134.03755	3.3
135.02927	3.0
135.04524	36.0
135.11823	0.9
136.01656	0.8
136.04857	1.6
137.02448	3.8
143.03461	1.5
145.02950	3.0
146.24654	0.8
147.08154	13.0
148.05281	1.2
148.08432	0.7
149.06062	7.6
150.03308	0.8
151.04025	1.0
154.44144	0.8
159.02943	3.1
159.04228	0.8
161.02446	36.9
161.04468	10.7
162.02785	1.2
163.04025	8.9
169.01421	1.4
175.03972	1.4
177.05566	15.4
179.03496	43.6
180.03830	2.5
181.08440	0.7
193.05112	0.8
203.03421	1.3
221.04543	20.8
222.04845	1.9
224.04865	1.0
251.05598	25.5
252.05992	2.1
255.10190	1.2
258.01532	1.0
265.07141	0.7
281.06656	47.7
282.07034	3.2
283.09656	6.4
284.10168	0.9
285.00232	1.2
295.09769	0.8
298.12088	0.8
299.08939	0.7
299.16565	3.2
301.18106	1.1
307.08371	0.7
311.09265	12.8
312.09634	2.4
323.07690	2.4
325.10840	1.2
326.11563	7.8
327.12122	1.4
341.08798	25.4
341.13794	4.0
342.09164	1.9
367.29449	0.7
374.25052	0.9
439.32047	1.6
459.34769	6.7
460.35361	1.3
477.35693	2.1
479.22760	2.7
499.94186	0.7
521.23920	40.4
522.24268	7.7
597.25934	0.8
621.40051	16.5
622.40277	2.3
639.09991	2.6
639.26227	7.7
639.41211	9.4
640.26624	1.3
683.22931	4.0
683.40076	100.0
684.23676	1.2
684.40503	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	683.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.5
57.03447	3.8
58.00581	1.3
59.01380	19.8
60.99300	1.4
63.96549	0.5
68.99807	0.6
69.25751	5.0
70.45669	0.6
71.01379	39.7
72.99305	1.6
73.02946	13.7
73.35124	0.5
75.00870	1.4
83.01377	7.7
85.02948	21.8
86.00094	1.5
87.00860	2.7
89.02439	4.1
95.01392	4.0
96.66534	0.5
97.02953	1.6
99.00895	5.2
101.02441	28.5
102.23984	0.5
109.02894	0.7
111.00869	2.0
113.02449	15.1
117.03446	1.7
117.38948	0.6
119.03481	1.1
119.04995	1.2
121.02980	0.7
125.02442	1.6
129.01936	1.2
133.02948	8.7
135.04507	4.9
143.03542	0.6
145.02956	6.9
151.03978	0.7
159.02966	2.5
159.04512	1.6
160.01587	0.6
160.05313	1.4
161.02437	19.1
161.04512	7.5
161.05896	1.3
162.02841	1.0
163.04018	1.0
175.03981	0.7
175.07625	1.2
176.22327	0.6
179.03400	2.8
191.05580	1.9
221.04561	0.6
222.45189	0.6
274.74710	0.7
297.11282	0.8
307.08237	4.4
323.07642	2.3
393.31677	0.8
394.24722	0.7
459.34799	1.8
474.46451	0.8
480.63168	0.6
521.23639	0.7
535.31207	1.3
621.40088	20.1
622.40778	3.0
634.32251	0.6
639.26276	0.6
639.29889	0.7
639.41095	8.2
640.41272	0.9
653.22351	6.6
654.22626	1.4
663.12085	0.8
665.21863	0.9
683.23859	5.3
683.40131	100.0
684.23743	1.1
684.40503	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	683.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.5
60.99319	1.5
61.98831	36.3
69.30339	10.9
71.01380	7.7
73.02929	2.3
80.69834	1.1
83.01354	1.2
85.02937	4.6
88.98813	6.2
89.02451	2.3
93.03471	2.3
95.01421	1.1
96.96014	5.8
99.00890	1.3
100.30693	1.3
101.02432	2.8
109.02957	1.3
113.02472	2.0
117.03440	1.8
119.05022	6.2
121.02949	2.4
125.02441	4.3
133.02969	7.5
135.04509	2.8
137.02458	3.4
142.66147	1.0
144.19858	1.2
145.02922	4.9
149.06068	1.4
160.01669	2.5
161.02432	11.7
163.03999	9.0
167.03696	1.2
168.00671	1.5
169.01363	3.2
175.04012	4.0
179.03487	1.5
193.05029	3.7
197.02196	12.3
241.24959	1.0
281.06735	1.4
377.28223	1.4
395.29517	3.3
409.31137	2.6
425.31155	1.4
441.34109	11.6
442.34418	1.7
485.32709	100.0
486.33060	11.0
521.30792	2.5
531.22577	1.6
665.22430	1.9
683.23810	2.9
683.35748	30.7
684.36273	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	683.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80165	0.7
55.01884	0.8
59.01381	4.2
61.98829	10.9
71.01378	3.5
71.53166	1.4
73.02940	0.9
83.01395	1.1
83.05022	3.4
85.02937	1.3
87.00861	0.7
95.01354	1.2
96.96011	7.9
99.00890	1.0
101.02446	2.2
109.02941	1.4
113.02446	1.3
117.03452	1.1
119.05029	16.3
123.03162	1.0
125.02425	3.8
133.02931	3.9
135.04503	2.5
137.02492	0.8
140.97687	0.8
145.02928	3.9
149.06079	1.8
161.02441	9.1
161.06055	1.3
163.04010	13.1
164.04367	1.1
169.01395	4.0
177.01984	0.8
177.05415	0.8
189.05457	1.0
193.05070	1.2
197.02190	7.8
211.02431	0.9
274.06015	0.9
285.03708	0.9
300.02289	0.8
357.27628	0.9
405.31900	0.9
421.31223	1.2
423.32614	1.7
427.69302	0.9
437.30585	0.9
441.33466	1.1
467.31555	8.6
468.31836	1.8
471.11722	1.0
485.32727	100.0
486.33035	10.9
531.22632	2.1
603.38702	1.0
683.36566	23.9
684.36603	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.9
59.34087	0.8
59.53306	0.9
60.99308	1.1
61.98830	44.1
69.25504	5.1
69.25935	3.1
71.01379	10.3
71.05023	2.9
73.02937	0.9
75.08222	0.9
78.45142	0.9
78.95913	1.7
85.02958	1.7
85.84909	1.0
88.98804	1.7
89.02444	10.0
101.02428	6.2
101.56396	0.8
104.92802	3.0
109.06607	1.0
111.11398	1.0
113.02454	2.9
119.03490	2.1
123.00866	1.2
123.04501	1.2
123.33295	0.8
125.02471	1.5
131.03511	0.9
133.02933	1.1
135.04509	1.8
136.05327	2.7
143.03510	1.1
149.05997	1.1
151.87381	0.9
160.01688	2.5
161.02498	1.6
161.04550	2.3
163.07613	1.2
165.09224	4.5
168.00641	2.4
175.03902	1.8
179.03468	2.0
179.05598	6.9
197.02155	1.3
209.11786	1.4
269.61304	1.2
285.03885	1.6
313.23849	2.1
355.26129	1.0
389.28082	1.4
407.29471	3.9
409.31030	0.8
423.32599	4.0
441.33914	9.5
442.34140	1.9
455.31476	1.2
457.33145	1.4
467.31760	1.2
473.32492	3.7
479.34006	1.3
485.32703	38.6
486.32877	6.4
503.33780	100.0
504.34247	12.4
521.30731	1.0
677.72449	1.0
683.24921	1.6
683.40424	14.1
684.39740	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	683.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
59.01380	34.6
60.99313	1.8
61.98830	1.6
63.16664	0.7
64.07330	0.7
69.03451	1.0
71.01379	19.0
72.99300	1.1
73.02946	23.3
75.00873	4.3
78.93555	0.7
83.01391	5.7
83.23981	0.7
85.02959	4.0
87.00874	2.2
88.98800	11.3
89.02447	7.0
93.03461	1.0
99.00844	1.9
101.01796	1.2
101.02445	16.4
109.02944	1.2
111.00935	0.9
113.02449	5.0
113.62517	0.7
117.01948	2.0
117.03473	1.6
119.03564	1.1
119.05022	16.8
120.05362	0.8
121.02981	1.1
125.02435	2.1
131.03488	1.0
132.02155	1.0
133.02968	9.7
134.03345	1.3
135.02989	11.0
135.04527	12.6
135.11775	3.0
136.01625	1.7
136.04887	1.5
137.02429	0.9
143.03477	1.3
144.73448	0.7
145.03004	3.8
147.08153	31.1
149.06081	1.2
151.04060	1.9
161.02449	22.4
161.04582	2.2
162.02783	6.5
163.04022	22.0
163.05157	0.6
164.04338	1.0
175.03975	1.7
177.04109	0.7
177.05533	3.5
179.03479	10.9
180.03835	1.3
209.11923	0.8
221.04568	5.3
223.78752	0.7
251.05580	6.4
261.67145	0.8
281.06577	10.1
283.09726	1.0
284.03223	1.0
285.03964	2.3
299.16440	9.2
300.17123	0.9
301.18140	5.4
311.09161	2.1
317.17462	1.2
323.07654	2.5
324.08035	1.6
325.07904	0.8
326.11441	1.0
341.08850	4.8
461.21924	2.1
479.22885	8.3
480.22815	1.2
521.23914	100.0
522.24335	7.6
592.45734	0.8
593.13251	2.8
597.25342	3.0
621.17889	1.0
639.26477	19.1
640.26996	1.9
683.22467	14.9
683.39655	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	683.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77005	0.6
59.01363	2.0
61.98830	4.7
71.05025	6.4
71.53173	1.2
80.84628	0.7
87.04533	0.9
89.27043	0.6
97.06566	1.3
106.49243	0.7
123.08167	0.8
145.02939	0.8
148.91000	0.7
161.02415	1.1
189.60707	0.7
197.02205	5.6
205.15981	2.9
215.85237	0.6
216.97626	0.7
222.65009	0.7
227.53932	0.6
257.83438	0.9
305.21130	1.2
321.22202	1.0
337.25513	0.9
339.27045	0.7
355.26498	1.4
357.24307	1.5
366.24200	0.6
367.26355	1.3
369.27972	0.8
379.30011	1.7
391.26385	0.7
407.29523	2.6
409.30981	1.1
423.32687	14.0
424.33032	1.6
437.30496	4.0
439.32230	15.9
440.32440	2.2
441.33704	62.0
442.34146	6.1
455.31656	15.1
456.31958	1.8
473.32712	100.0
474.32983	13.7
483.31085	4.0
485.32706	15.1
601.37378	0.7
683.36523	6.9
684.36218	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	683.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23457	0.7
59.01369	3.2
61.98832	23.6
65.60973	0.7
71.01365	1.1
71.53426	1.1
78.95891	0.9
85.06553	0.9
88.98788	1.0
89.02455	1.3
89.96130	0.9
94.38676	0.7
104.92793	1.8
121.71986	0.8
133.02876	0.8
135.04507	1.9
161.02448	1.5
163.04031	1.0
165.16110	0.9
169.01399	0.8
176.71085	1.0
179.03540	0.9
197.02208	6.5
209.11798	1.2
220.24171	0.9
391.26114	1.4
393.31613	3.2
403.30011	1.5
421.31320	1.8
423.32748	10.5
424.33316	1.1
437.30222	1.2
439.32233	3.6
441.33817	15.5
442.34177	1.7
455.31583	4.0
457.56485	0.7
467.31613	1.4
473.32401	1.6
485.32718	100.0
486.33081	10.3
501.31918	1.2
503.33759	10.7
504.33749	1.0
621.40002	3.5
623.79974	1.1
683.25317	1.4
683.35736	16.1
684.36279	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21534	0.8
59.01382	33.0
60.99291	1.4
61.98830	1.8
69.58070	5.6
71.01379	17.4
72.99281	1.7
73.02948	26.0
75.00851	3.4
83.01389	5.2
83.39816	1.0
85.02942	4.2
87.00851	3.5
88.98810	7.7
89.02462	5.2
99.00864	2.6
101.02438	15.9
113.02442	5.3
117.01914	2.4
119.03508	2.0
119.05025	17.5
133.02953	9.1
133.47795	0.9
134.03256	2.7
135.02975	12.8
135.04520	10.3
135.11787	2.8
136.01640	1.7
136.04816	1.0
137.02382	0.8
145.02917	3.1
147.08147	35.4
149.06042	1.4
151.00426	1.2
151.03973	2.5
160.01596	1.2
161.01135	1.4
161.02454	27.8
161.04453	1.7
162.02773	9.4
163.02986	1.9
163.04028	24.8
169.01367	0.9
175.02498	0.9
175.03970	1.8
177.05556	4.1
179.03510	9.2
180.03854	2.2
193.05028	1.1
215.85847	0.9
221.04517	4.3
251.05577	3.9
255.02829	1.0
281.06583	7.4
283.09485	1.2
284.03174	1.9
285.04041	1.8
299.16504	12.2
300.16974	1.0
301.18106	6.6
311.09293	2.1
317.17642	1.6
323.07813	3.5
324.08142	3.4
325.08047	1.8
326.11685	1.4
341.08698	5.0
344.12164	1.1
373.14865	1.0
461.21777	2.1
479.22818	6.9
521.23907	100.0
522.24146	10.8
593.12323	2.7
594.13043	1.3
597.25214	2.2
639.26532	18.8
640.27399	1.5
683.22400	22.2
683.40088	1.4
684.22583	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	683.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.0
59.01379	46.7
69.17066	21.6
71.01382	31.4
71.23779	2.1
72.99298	5.6
73.02950	23.7
73.94722	1.7
75.00861	13.4
76.45122	1.8
79.09721	1.9
83.01389	3.9
85.02961	7.5
87.00883	18.9
89.02446	18.7
93.03459	2.9
94.57065	1.8
95.01431	4.7
96.96026	3.2
98.20645	4.7
99.00912	2.3
99.04521	19.2
101.02440	22.2
112.13589	1.9
113.02461	16.2
117.01934	21.1
117.03458	2.1
119.03486	5.8
119.05040	5.5
125.02456	2.4
132.05827	5.8
133.02939	2.5
135.02985	29.5
135.04544	6.8
145.02930	2.7
161.02441	6.9
179.03445	4.1
199.11295	9.7
217.12340	15.8
234.19150	1.8
283.21002	2.0
301.18219	4.0
310.04385	2.1
361.16544	10.7
379.17551	8.2
381.28052	2.0
421.18579	6.4
461.21722	13.0
479.22876	21.8
521.23938	100.0
522.24487	10.5
535.30762	9.5
585.37372	2.3
585.58185	2.2
622.67468	2.2
639.26593	52.2
640.26923	3.8
683.23303	2.4
683.35114	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	683.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81626	0.6
54.26133	0.5
55.01881	0.7
57.87730	0.5
58.60229	0.5
59.01366	3.8
69.99402	1.2
69.99792	1.1
71.01382	7.3
73.02938	2.1
76.52921	0.5
77.03959	0.6
77.78043	0.5
83.01360	1.0
85.02959	2.9
88.98776	1.0
89.02469	1.0
98.20663	0.6
99.00861	0.9
101.02453	4.3
103.05340	0.5
105.03512	0.5
109.14409	0.5
111.00863	0.6
113.02448	2.4
117.03455	1.8
121.02902	1.1
125.02457	0.6
132.02155	3.6
133.02953	41.8
134.03793	2.9
135.04520	10.0
136.04887	0.7
137.02469	0.8
145.02946	2.1
159.02991	0.5
160.01622	3.1
161.02434	100.0
162.02785	2.6
163.04041	1.0
166.93782	0.7
175.03972	4.8
177.05571	1.3
178.02753	0.6
179.03470	4.7
191.05659	0.6
193.05049	0.7
270.08759	0.7
281.06317	1.2
315.12167	1.1
327.12402	1.1
329.13745	1.2
477.17908	2.9
489.17636	1.3
491.19278	2.3
521.24359	1.1
547.17987	1.9
621.40204	0.9
653.22369	34.6
654.22638	4.4
665.22388	24.5
666.22766	3.4
683.23389	13.5
683.40076	15.7
684.24023	2.0
684.40173	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	683.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23522	0.7
55.01876	0.9
55.91319	0.7
59.01110	1.5
59.01380	18.2
69.26092	7.4
69.42040	0.8
71.01380	14.8
72.99316	0.8
73.02949	8.2
83.01395	2.9
85.02975	6.0
87.00899	1.3
89.02437	4.6
95.01391	0.9
99.00871	2.0
101.02439	11.8
101.41363	0.7
109.02919	1.8
113.02472	4.2
117.03433	0.8
119.03480	1.1
119.05006	4.0
121.02937	1.2
131.64114	0.9
132.02251	1.0
133.02945	17.7
134.03746	5.0
135.02887	2.1
135.04526	72.2
136.04811	2.2
137.02466	4.3
139.04010	0.9
145.02937	1.5
147.08157	8.6
148.05319	2.7
149.06090	16.4
161.02438	72.3
161.04353	4.7
162.02861	1.7
163.03979	5.6
175.04015	1.5
177.05568	30.8
178.02675	1.2
179.03488	91.7
180.03859	3.1
185.49254	0.8
193.90381	0.7
203.03522	1.8
221.04533	48.4
222.04837	2.4
233.04514	1.1
238.06284	1.0
239.10736	1.1
251.05592	61.8
252.05869	2.0
255.10251	2.7
266.05875	1.3
281.06647	100.0
282.06769	4.3
283.09790	13.1
295.09695	1.1
296.10553	1.1
297.11075	0.8
298.12076	2.0
299.16473	2.2
301.18286	1.3
310.12308	1.1
311.09250	30.6
312.09497	1.7
323.07761	4.4
325.10764	2.7
326.11554	15.6
327.12143	2.2
341.08725	60.7
341.13757	10.2
342.09039	3.2
459.34491	0.9
479.22617	1.3
488.45313	0.9
521.23865	28.0
522.23785	2.1
564.59875	0.8
621.40173	4.0
639.26355	5.4
639.41351	1.9
683.22760	7.0
683.40002	14.8
684.40021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56333	0.5
59.01369	3.0
62.86647	0.4
69.27832	4.2
71.01369	2.5
72.99309	0.5
73.02958	1.2
83.01377	0.6
85.02959	0.7
88.98790	0.9
99.00879	0.7
101.02460	1.4
105.03463	0.9
113.02516	0.9
117.03462	2.2
119.03530	0.6
119.05000	1.4
119.73914	0.5
121.02939	1.1
132.02179	2.9
133.02954	44.9
134.03813	2.6
135.04527	10.2
137.02443	1.2
145.02966	2.5
146.03270	0.9
147.08151	0.7
149.06030	0.5
160.01639	3.5
161.02437	100.0
162.02843	2.8
163.03990	1.5
169.01466	0.5
175.03987	5.1
179.03468	4.7
181.05034	0.5
193.05084	2.0
211.06033	0.7
217.84435	0.4
311.08936	0.6
314.11646	0.6
315.12448	0.9
326.11661	1.2
327.12366	1.0
329.13934	0.9
330.40958	0.5
341.14047	0.8
371.13553	0.5
460.14127	0.6
476.16724	0.7
477.17709	3.2
489.17560	0.7
491.19055	1.6
503.19092	1.4
521.23889	3.8
534.13062	0.6
547.18225	1.5
653.22351	34.8
654.22815	4.8
665.22351	24.2
666.22876	3.5
683.23273	12.4
683.40417	0.9
684.23767	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	683.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57305	0.7
57.64086	0.7
59.01379	13.3
60.99306	18.2
61.75115	0.7
61.98819	2.0
69.03431	0.7
69.21172	5.5
69.21584	2.1
71.01385	9.2
72.99331	0.8
73.02950	8.3
75.00877	1.6
83.01373	2.3
85.02953	2.9
87.00888	1.0
88.98804	100.0
89.02441	3.1
89.99163	0.7
92.41817	0.8
96.95996	1.6
99.00874	1.0
101.02448	6.1
109.02950	2.3
113.02415	2.3
116.92918	0.9
117.03456	3.4
118.03793	1.0
119.03528	1.0
119.05017	5.2
121.02917	1.1
132.02090	1.8
133.02954	28.6
134.03349	6.6
135.02992	3.7
135.04529	35.1
136.01669	8.4
136.04837	5.6
137.02277	2.8
145.02948	11.8
146.03326	1.3
147.08150	9.1
148.05171	0.9
149.06038	4.6
151.00418	1.2
151.04018	6.5
152.04292	2.2
159.04504	0.8
161.02443	70.1
162.02780	18.7
163.02885	3.3
163.04095	7.7
175.03967	1.7
176.04700	2.2
177.05554	9.0
178.05916	1.4
179.03482	31.3
180.03777	3.6
189.05382	1.0
191.07082	2.4
203.03401	1.6
221.04550	13.6
222.04788	0.9
223.90161	0.8
227.03531	4.8
229.04874	1.2
251.05574	15.6
255.02936	10.1
256.03528	1.8
281.06659	26.9
282.06979	0.9
283.09702	3.7
284.00363	1.1
284.03259	14.4
285.04041	18.0
299.16431	2.7
301.18225	1.3
307.08127	3.4
311.09146	7.6
323.07758	9.6
324.07999	7.2
325.07950	3.8
326.11627	4.8
327.12311	1.6
341.08679	13.0
341.13855	2.5
344.83694	0.8
357.13159	0.8
406.57303	0.9
479.22943	1.9
521.23950	23.3
522.23950	1.3
593.12970	39.1
594.13464	4.3
597.24951	1.2
639.26569	4.5
682.22119	15.9
683.22345	35.7
683.40088	1.7
684.22681	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	683.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
58.00586	1.9
59.01382	45.1
65.15833	0.6
69.58256	4.3
71.01381	31.9
72.01740	0.7
72.99284	1.6
73.02933	1.0
83.01371	1.1
84.96070	0.7
85.02955	4.8
85.89510	0.7
87.00867	1.4
89.02448	43.4
90.95346	0.7
95.01383	2.1
101.02435	15.7
113.02453	12.8
119.03513	16.7
131.03464	2.1
143.03517	3.3
149.04503	1.2
161.04549	4.5
176.46115	0.7
179.04128	1.3
179.05605	17.6
291.70599	0.8
341.10870	100.0
342.11264	6.0
428.97769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23360	0.6
57.29018	0.6
59.01379	4.1
59.01620	0.7
61.98841	0.9
71.01381	3.2
73.02930	1.2
75.00875	2.1
85.02964	2.0
87.00861	1.1
89.02448	1.7
93.03455	2.0
96.96004	0.8
99.00900	0.7
101.02451	2.3
108.02197	1.0
109.02948	1.7
111.00916	3.8
112.01100	0.7
113.02465	1.6
116.92874	1.2
117.03468	5.9
119.05036	4.6
121.02960	2.6
123.04526	1.3
125.02454	1.9
132.02165	3.3
133.02959	40.2
134.03687	2.7
135.02931	1.8
135.04521	30.4
137.02385	0.8
145.02951	14.7
146.03706	1.6
147.04478	1.1
149.06071	1.5
150.03174	1.2
151.04016	1.1
159.04517	2.7
160.01659	1.5
160.05333	4.2
161.02443	100.0
161.06065	2.3
162.02794	2.9
163.04028	3.2
169.01408	0.8
173.06090	0.7
175.04007	2.7
175.07614	2.9
177.02017	1.0
177.05518	4.1
178.02788	1.0
178.06303	1.3
179.03485	15.1
179.07135	1.7
191.03551	1.7
191.07173	1.5
193.04939	1.2
193.40738	0.7
203.03413	1.0
220.03940	0.9
221.04530	3.8
229.58791	0.8
269.08200	2.3
283.02484	1.0
299.09186	1.9
307.08243	6.2
311.09262	2.2
314.11615	2.0
315.12231	2.8
323.07681	24.2
327.12427	0.9
329.14023	5.5
337.09219	0.8
472.84146	0.8
503.15921	1.1
508.77332	0.8
521.17169	0.8
521.23889	4.7
521.34668	1.3
639.26837	1.0
665.22156	1.2
683.23425	70.6
683.35016	3.2
684.23730	8.5
686.64392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02081	0.5
59.01377	4.3
61.98819	1.2
71.01380	4.5
72.99296	0.8
73.02960	1.1
75.00867	1.7
75.98119	0.5
85.02944	1.6
87.00880	1.0
87.14338	0.6
88.98833	0.7
89.02442	1.2
89.03971	1.0
93.03465	2.0
96.96013	1.0
101.02436	2.2
105.03509	1.2
107.20663	0.6
108.02186	1.0
109.02962	1.8
111.00886	3.0
113.02482	1.6
113.98261	0.6
114.93363	0.6
117.03455	5.4
119.05016	2.8
121.02937	2.2
122.03762	0.6
123.04476	1.4
125.02460	0.8
126.85364	0.7
132.02167	2.3
133.02953	37.8
134.03708	2.7
135.02925	1.5
135.04529	27.6
136.01656	0.6
136.04889	0.8
137.02438	2.1
145.02956	15.8
146.03708	1.1
147.04507	1.7
149.06030	1.7
150.03215	1.3
151.04025	1.1
158.03690	0.9
159.04457	2.8
160.01649	1.1
160.05284	4.9
161.02437	100.0
161.06085	2.2
162.02754	3.3
163.04037	3.4
164.04741	2.1
169.01442	1.1
173.06055	0.9
175.03996	2.2
175.07596	3.6
177.01991	0.8
177.05525	4.4
178.06276	1.2
179.01912	0.9
179.03494	16.3
179.07080	1.0
180.04109	0.6
181.04941	0.7
183.13963	0.8
191.03474	1.3
193.05011	0.9
203.03520	1.9
221.04552	3.5
235.06104	0.9
265.07248	0.7
269.08234	1.6
280.05780	1.0
283.02417	1.0
299.09296	0.8
307.08307	4.9
311.09171	1.8
314.11606	1.7
315.12363	2.6
323.07709	23.3
324.07996	1.5
326.11588	1.5
327.12314	1.4
329.13837	4.5
334.39719	0.6
337.09018	0.9
345.13281	0.7
373.25568	0.6
387.00455	0.6
445.07324	0.7
508.18411	0.6
521.23853	3.1
535.30933	1.6
639.26672	0.9
683.23389	78.1
684.13190	1.2
684.23865	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	681.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.2
57.03428	2.8
58.00583	0.9
59.01377	74.3
60.01708	0.8
61.98828	12.7
70.38869	2.7
71.01380	41.7
72.52091	0.7
72.86259	0.8
72.99289	2.1
73.02942	14.0
75.00865	0.8
83.01385	5.8
85.02950	19.6
87.00857	2.1
89.02439	16.7
94.26507	0.7
95.01403	4.0
97.02951	1.6
99.00880	6.6
101.02441	32.0
101.03110	1.7
113.02450	18.5
119.03501	8.4
125.02444	2.1
126.16481	0.8
129.01924	0.9
131.03474	1.6
139.52095	0.8
143.03485	3.1
148.78867	0.7
150.90222	0.7
159.02977	4.6
161.03256	1.3
161.04552	27.5
177.69725	0.8
179.05589	7.8
237.05598	0.7
247.42632	0.7
365.18915	0.7
393.31525	1.4
404.83716	0.8
425.30551	1.1
459.34769	5.1
501.31967	2.5
503.34323	0.9
537.37500	0.9
621.40015	100.0
622.40344	16.1
681.37286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.3
57.03444	2.6
58.82827	1.2
59.01380	100.0
60.01717	1.3
61.98831	85.7
71.01382	36.4
71.53285	1.9
73.02939	10.0
74.46360	1.2
77.39108	1.2
78.95860	1.3
83.01389	3.6
85.02949	15.7
89.02459	7.2
95.01402	2.8
99.00882	2.3
101.02442	24.8
113.02454	14.5
119.03510	3.6
121.02939	1.9
125.02403	2.5
143.03485	2.3
153.84380	1.4
157.52075	1.3
159.02954	4.9
161.04550	34.2
179.05606	4.9
179.76997	1.4
277.21683	2.0
341.21042	1.5
459.34512	2.4
469.33444	1.9
487.33997	5.9
501.32065	4.9
559.35199	1.6
621.40015	53.6
622.40594	7.5
681.40411	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	682.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
60.01703	0.2
61.98828	100.0
62.98494	0.2
71.01382	0.5
71.53710	0.2
73.02947	0.3
74.25877	0.2
74.35446	0.2
78.95984	0.2
80.80690	0.2
85.02957	0.4
89.02418	0.3
104.99389	0.2
111.00862	0.4
121.02890	0.2
125.02469	1.2
126.02785	0.4
139.00511	0.2
139.24788	0.2
143.57909	0.2
151.00435	0.3
169.01401	1.7
170.01787	0.2
383.28250	0.2
421.52454	0.2
476.57904	0.2
484.31546	0.3
485.32999	0.7
502.32700	0.4
503.34143	0.6
622.40564	0.6
639.39655	0.2
682.31647	3.1
682.41400	0.2
683.33075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
68.98928	0.3
71.01392	1.6
77.03976	0.3
83.01340	0.4
85.02930	0.6
89.03947	0.3
93.03437	0.6
95.01376	0.4
101.02444	0.7
105.03459	0.9
107.05025	0.6
108.02158	0.7
109.02942	1.9
113.02464	0.6
115.01881	0.3
117.03500	1.8
120.01976	0.3
121.02995	0.7
122.03676	0.3
123.00867	0.4
123.04535	0.7
132.02174	2.4
133.02954	41.7
134.03801	3.1
135.04521	29.2
136.01654	14.9
136.04845	1.1
137.02505	1.5
145.02968	0.8
145.28920	0.4
146.03677	0.7
147.04469	0.6
148.05273	0.3
149.06067	1.4
151.04008	11.9
152.04379	0.7
159.04475	0.8
160.01584	0.8
161.02435	100.0
162.02776	3.6
163.03983	1.0
173.06094	0.6
175.03978	3.1
176.04771	1.1
177.01891	0.6
177.05556	3.7
178.02676	0.9
179.03487	17.0
180.03935	0.5
187.04041	0.5
189.05501	0.4
191.03587	0.5
191.07079	1.3
193.05034	1.3
203.03479	1.1
205.05046	0.5
220.03636	0.7
221.04538	2.9
249.72401	0.3
263.05569	0.8
267.06595	0.5
279.06531	0.8
280.05862	0.8
294.08615	0.3
312.10223	0.6
313.10788	2.1
323.07681	23.2
324.08093	1.1
327.12442	1.8
337.09296	1.1
342.10947	0.5
343.11749	3.0
348.90494	0.3
357.13156	0.7
373.12695	0.8
588.89392	0.4
651.20428	0.5
681.21808	63.9
682.22162	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	681.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03443	1.6
57.64412	0.5
58.00583	0.9
59.01377	100.0
60.01677	0.6
61.98824	14.1
64.22146	0.6
70.39045	1.3
71.01379	25.9
71.05036	0.6
72.99287	1.0
73.02945	7.9
75.00865	1.0
83.01373	3.0
85.02943	11.7
87.00883	1.5
89.02448	7.9
95.01398	1.7
97.02962	0.8
99.00879	3.5
101.02441	22.2
113.02440	12.4
119.03475	2.6
121.02956	0.6
125.02485	0.9
131.03548	0.9
136.13390	0.5
143.03490	1.4
159.03009	3.6
160.64012	0.6
161.02484	0.9
161.04543	19.6
179.05559	1.3
191.14412	0.8
193.39407	0.6
211.75598	0.6
213.43732	0.5
227.03606	1.2
237.14987	1.1
250.65965	0.6
255.03006	1.6
268.86075	0.5
275.55402	0.5
284.03290	1.0
285.04196	0.7
289.62180	0.6
393.31711	0.8
439.32022	1.6
459.34796	3.9
483.30939	0.7
485.32837	1.4
501.32288	2.4
519.33411	4.4
520.33282	0.7
621.40027	71.8
622.40417	12.1
665.38965	10.4
666.39581	1.9
681.25330	2.1
681.41559	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	681.422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01498	0.6
57.03434	0.7
59.01379	100.0
60.01688	1.3
61.98831	34.1
69.29667	3.9
71.01386	7.2
73.02940	3.8
78.95892	1.0
81.79974	0.6
83.01401	1.5
85.02953	4.0
87.00902	0.9
89.02459	2.5
95.01376	0.8
96.96009	1.2
97.07792	0.6
99.00890	1.9
101.02456	5.6
104.92767	1.2
113.02462	2.8
117.45649	0.7
121.03001	0.6
125.02462	1.4
133.02965	1.0
135.09691	0.6
136.45952	0.6
137.02475	0.6
141.40977	0.6
159.02963	0.7
161.02437	2.7
161.04576	3.8
171.20695	0.7
174.50529	0.7
175.04002	0.8
181.96158	0.7
182.85475	0.7
200.36703	0.7
234.27885	0.7
295.69946	0.6
333.80817	0.6
423.80917	0.7
439.32211	1.0
442.36090	0.7
459.31183	2.9
459.36127	1.2
473.33081	1.2
481.19412	0.7
483.31235	1.3
501.32153	5.7
502.33057	0.8
503.33926	1.4
519.33167	1.0
619.38391	2.0
621.40131	29.6
622.40686	3.6
629.17596	0.8
665.39508	2.7
681.32062	1.1
681.43677	5.4
682.43994	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	680.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.52625	1.3
71.53059	2.2
77.41827	1.2
78.95911	1.6
79.12611	1.0
101.40997	1.3
135.52672	1.1
152.99515	1.5
255.23282	1.2
259.06027	1.3
277.21631	1.5
377.80862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
61.98829	100.0
78.95892	0.3
98.19845	0.5
111.26682	0.2
112.81245	0.3
125.02431	0.3
169.01421	0.3
277.22015	0.4
468.32013	0.4
485.32840	0.8
486.33118	3.2
501.42670	0.3
554.12012	0.3
590.98401	0.3
680.38501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.8
61.98829	2.6
69.03444	0.4
71.01376	4.1
71.53706	0.7
72.99298	0.4
73.02949	0.8
75.00874	0.6
77.17782	0.4
85.02950	1.4
87.00873	0.7
89.02422	1.8
89.03946	0.5
96.96030	0.7
99.00926	0.6
101.02442	2.2
105.03441	0.9
107.05052	0.5
107.93976	0.4
108.02174	0.7
109.02945	1.9
113.02465	1.1
117.03468	2.8
117.64664	0.4
119.03518	0.6
119.05004	2.5
119.68194	0.3
121.02995	0.8
122.03739	0.8
123.04498	0.9
125.02435	0.9
128.78841	0.3
129.23329	0.3
132.02179	3.0
133.02957	40.8
134.03793	3.6
135.04523	27.4
136.01660	14.6
136.04836	0.6
137.02534	1.8
139.03999	0.4
145.02954	6.3
149.06113	1.8
151.04004	10.6
152.04364	0.4
159.04488	1.1
160.01625	0.8
161.02437	100.0
161.06079	1.5
162.02750	3.4
163.03976	3.5
164.79828	0.5
169.01469	0.5
173.06052	0.8
174.03273	0.4
175.03989	3.0
176.04767	0.8
177.01949	0.5
177.05557	3.6
178.02620	1.0
179.03485	18.3
181.05086	1.2
181.08728	1.1
187.04057	0.5
191.07153	1.2
193.05025	2.1
203.03505	1.2
209.11855	0.5
220.03824	0.7
221.04539	3.8
263.05649	0.7
279.06705	1.1
280.05734	0.8
298.08557	0.5
301.00037	0.4
307.08261	3.1
313.10718	1.3
323.07690	25.4
324.07983	1.4
327.12375	1.7
337.09360	1.0
342.10892	0.4
343.11948	3.3
357.13257	0.7
399.07617	0.4
431.29657	0.4
439.32300	2.1
457.06763	0.5
457.33508	1.0
483.31290	1.4
501.31946	0.7
518.32440	0.7
519.32904	1.3
651.20819	0.8
680.37305	1.2
681.21777	59.1
681.38953	4.1
682.22156	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	679.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47693	1.2
59.01379	11.7
60.39809	1.0
61.98833	26.4
69.33529	2.3
69.33944	6.7
71.01390	3.3
72.21698	1.2
75.00880	1.2
85.02959	2.2
87.00903	1.1
88.98822	1.4
89.02457	1.2
101.02448	2.8
125.02443	1.2
137.02513	1.0
145.02957	1.5
161.02408	2.0
163.03964	1.2
165.12845	18.4
173.81491	1.0
183.13895	81.3
184.14227	4.1
188.00764	1.2
197.80164	1.1
209.11845	1.2
227.12878	100.0
228.13184	5.1
282.36212	1.0
343.57748	1.1
425.29816	1.1
428.17529	1.3
451.92810	1.1
478.13248	1.2
487.34164	4.5
499.30786	1.5
517.31635	1.7
615.12872	1.2
679.37201	11.1
680.37659	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	679.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41214	0.6
50.43099	0.5
57.03451	0.9
59.01379	100.0
60.01718	0.9
61.98829	11.3
71.01398	2.4
71.05041	0.8
72.99294	0.7
73.02936	1.1
77.96883	0.5
78.95907	0.8
85.02976	1.6
89.02481	1.1
101.02473	2.3
108.10079	0.6
113.02482	1.2
121.02984	0.7
125.02489	2.1
131.03534	2.3
145.03033	0.8
146.28706	0.5
151.00468	0.6
152.01048	0.7
156.25964	0.5
160.84277	1.0
161.02512	0.8
171.10344	0.6
209.11873	0.7
231.76604	0.6
397.93808	0.5
470.33435	0.9
471.30670	0.7
481.18951	1.7
505.35703	0.6
553.70013	0.6
619.38458	53.7
620.38623	5.2
675.58655	0.6
679.39941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18290	0.7
55.01884	2.2
57.03447	1.7
59.01379	100.0
61.98827	9.2
70.53786	1.6
70.54194	1.5
71.01379	25.1
71.05004	1.7
73.02940	7.3
78.95905	1.0
83.01393	2.1
85.02954	12.3
87.00893	2.7
89.02450	7.5
95.01392	3.0
96.96015	1.0
97.02957	1.1
99.00879	4.2
101.02443	20.5
108.24600	0.7
113.02448	10.7
119.03539	2.7
125.02488	2.3
129.02003	1.1
143.03496	2.2
159.02979	4.3
161.04546	22.1
171.05847	0.8
179.05626	1.5
281.54611	0.8
400.64532	0.8
444.64667	0.7
457.33249	6.3
471.34842	16.9
472.35275	1.6
619.38495	66.8
620.38916	8.1
663.37427	11.1
679.40930	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	680.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43895	0.2
52.79227	0.2
53.12624	0.2
58.98378	0.2
59.01384	1.9
59.60991	0.2
61.98830	100.0
65.72012	0.2
65.84152	0.2
70.26417	0.2
71.01388	0.3
71.05022	0.2
71.52811	0.3
73.02964	0.3
76.06105	0.2
83.45195	0.2
85.02966	0.3
89.02448	0.2
96.96006	0.3
117.03510	0.3
119.05016	0.5
125.02433	0.6
129.54460	0.2
133.02948	0.3
137.02477	0.3
145.02927	1.1
161.02461	1.3
162.83925	0.2
163.03993	0.3
169.01378	0.2
179.03468	0.2
219.58772	0.2
257.08328	0.2
276.65631	0.2
373.26181	0.2
483.31253	0.5
501.32040	0.5
535.31384	0.4
579.54266	0.2
680.37103	0.3
681.35907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.6
57.03447	3.3
58.00568	1.8
59.01379	28.7
68.99814	1.4
71.01376	26.2
71.52020	1.4
72.99313	5.9
73.02952	2.2
75.00870	13.4
83.01380	2.5
85.02956	18.4
87.00863	8.6
89.02441	12.0
95.01394	4.8
99.00891	6.2
101.02439	4.2
103.00362	2.8
113.02453	27.5
115.00382	2.5
117.01919	2.6
119.03500	1.7
123.04498	1.5
125.02452	4.6
129.01920	2.0
131.03535	1.3
133.02972	1.7
134.03757	1.8
135.04507	1.6
137.54839	1.1
149.04547	1.2
157.01468	1.8
161.02426	4.2
161.13376	5.3
167.07236	1.3
169.01405	5.0
170.01810	1.6
175.02528	1.7
179.03424	1.6
187.11263	3.2
191.05618	2.9
193.05055	1.6
205.07224	1.6
205.12277	5.9
225.01483	1.1
233.11964	1.4
249.06111	9.1
267.04309	2.4
267.07199	42.3
323.07462	2.4
343.95068	1.2
388.23801	1.4
455.19257	9.2
499.18201	20.3
500.18765	1.7
517.13770	2.8
597.17419	1.2
599.10522	3.5
679.24567	100.0
680.24762	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	679.3694
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
55.96349	0.9
58.00618	1.1
59.01381	44.8
61.08194	0.9
61.98831	57.2
71.01379	15.7
71.05016	2.1
71.53327	1.2
72.99294	1.8
73.02939	1.3
75.00890	1.3
78.95885	1.2
82.91388	0.9
83.01380	1.3
85.02941	4.8
88.98790	2.1
89.02442	17.2
95.01366	1.1
101.02438	9.1
105.38234	1.0
113.02438	5.7
119.03535	5.6
119.04993	1.9
125.02442	1.5
131.03566	1.0
133.02946	1.4
135.04515	1.9
137.02397	1.3
142.99858	2.0
158.39496	1.0
161.02483	4.8
161.04575	1.9
163.03935	1.7
169.01350	1.2
179.03455	2.0
179.05580	4.1
223.02168	0.9
273.45551	1.1
284.03143	1.5
417.58295	1.0
437.30298	2.5
439.28229	1.3
443.35471	1.9
455.31653	2.0
481.29538	6.9
487.34116	3.8
499.30655	100.0
500.31018	11.5
517.31537	9.2
589.25214	1.1
619.37860	3.2
637.39435	1.4
638.01648	1.0
679.36835	13.3
680.37329	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	678.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
63.02382	1.4
65.00311	3.2
65.11134	1.3
65.17720	1.2
71.01392	1.8
75.83248	1.2
82.58251	1.0
83.01392	2.6
85.02995	2.0
93.03420	2.6
96.95995	1.3
107.01386	9.9
109.02959	2.4
121.02931	7.8
125.02438	3.6
126.58078	1.3
133.02950	2.8
135.03038	1.7
139.03923	1.3
149.02420	1.4
151.00354	41.4
152.00809	1.3
159.04449	1.4
161.02458	2.7
163.04044	1.6
167.07167	1.7
169.01410	3.8
175.02556	2.0
178.99861	18.4
179.03448	1.3
179.07085	1.9
183.91870	1.3
191.05559	2.4
229.04909	1.6
229.58411	1.4
255.03012	2.7
257.04385	1.5
273.04095	2.3
301.03522	100.0
302.03891	3.5
313.05627	1.7
328.70398	1.4
332.07172	1.3
380.86237	1.2
398.66452	1.3
542.61841	1.3
615.09808	23.6
616.10364	2.3
678.19525	1.6
679.24744	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	679.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24093	0.9
58.19314	1.0
58.45061	0.8
59.01371	3.9
59.24159	0.9
69.30012	2.7
69.30417	5.9
75.00851	1.4
75.69556	1.0
83.19444	1.0
85.02914	1.1
89.02451	1.1
96.96017	1.1
98.20692	2.0
101.02428	2.0
109.03004	1.3
113.02450	1.2
119.05009	2.7
125.02497	2.2
132.02176	2.4
133.02972	2.6
134.03773	2.0
135.00941	1.4
135.02971	2.4
135.04515	7.2
145.02969	1.1
151.00374	3.0
161.02444	15.6
163.00319	1.7
163.03957	1.9
163.95642	1.0
169.01428	1.8
177.03989	4.6
177.05467	1.9
178.99821	1.5
179.03464	5.2
193.05023	1.4
194.42137	1.0
221.04593	1.4
227.03493	38.7
228.03928	1.8
229.04919	1.5
255.02974	72.5
256.03635	7.4
283.02533	1.3
284.03247	100.0
285.03830	14.0
323.07471	2.1
350.28638	1.0
355.10315	3.2
447.09164	2.1
501.13608	1.5
517.13715	3.2
635.16107	70.7
636.16693	6.5
679.17596	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	677.403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85280	6.1
54.50335	6.6
68.99577	11.4
76.78193	5.9
78.95906	100.0
78.96337	10.6
88.90942	6.1
89.63657	6.3
90.34779	6.7
100.99019	6.8
115.70848	6.9
152.99605	66.8
163.05534	6.8
177.96408	6.3
183.13882	7.7
209.11829	43.1
211.13335	15.7
213.15033	32.3
239.87415	7.8
253.21654	18.4
255.23291	28.9
281.24829	39.2
417.23956	15.2
435.25226	8.9
441.18881	57.8
645.37585	26.8
677.40167	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39484	0.9
59.01369	1.8
61.98832	0.9
66.73659	0.7
67.01881	2.0
69.22398	1.0
69.22797	8.5
71.01378	2.3
85.02954	7.5
86.03310	0.9
87.00879	4.3
93.03454	9.6
94.03793	1.3
98.20654	2.1
99.00822	0.9
107.01372	2.0
109.02981	1.0
123.00911	1.8
125.02432	5.6
127.03996	1.8
133.02937	8.1
134.03551	1.8
135.04523	25.4
136.04878	5.3
137.02356	0.9
149.34787	0.8
151.00343	2.4
161.01146	1.7
161.02443	26.3
162.02760	6.8
169.01476	7.1
173.04510	2.5
177.05630	0.9
178.99884	1.0
179.03477	21.4
180.03809	6.1
191.05609	100.0
192.04283	1.7
192.05948	20.1
206.90874	1.0
219.15608	0.8
221.04544	1.2
243.02971	1.5
252.92390	0.9
255.02998	4.6
271.02420	7.9
285.04041	0.9
300.02731	18.6
301.00089	1.5
301.03400	8.1
307.41995	0.8
313.05536	1.3
323.07693	5.1
324.07962	2.0
346.41406	0.8
353.08517	1.7
354.09213	1.0
463.08978	5.0
486.11319	1.4
503.11676	1.8
504.11826	1.9
615.09790	25.0
615.19897	1.2
616.10028	2.0
677.17126	18.9
678.17419	57.7
679.18201	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	677.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01713	0.6
60.06127	0.3
61.98827	1.0
70.94668	0.6
71.01376	0.4
78.95918	0.3
101.02446	0.6
106.84342	0.2
131.03502	0.8
169.95570	0.3
206.17282	0.3
285.07706	0.3
318.38748	0.3
319.98361	0.2
441.33829	0.4
495.53021	0.3
573.37921	0.4
590.52612	0.3
617.37329	0.8
677.39008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
64.68016	0.3
67.01892	0.8
69.03465	0.7
71.01381	1.2
72.84698	0.3
79.06245	0.3
81.03461	0.6
82.73137	0.3
83.05025	0.4
85.02952	7.8
87.00883	3.0
93.03460	9.4
98.19872	1.3
108.02190	0.4
108.34438	0.3
109.02952	0.7
111.04524	1.7
117.03451	0.4
123.00843	0.4
125.02449	1.3
127.04013	1.9
133.02957	8.6
134.03757	0.7
135.04529	21.2
137.02464	0.7
149.06046	0.5
151.00484	0.6
161.02435	28.4
162.02840	0.5
167.07191	0.4
169.01424	2.5
170.58905	0.5
171.02986	0.5
173.04546	2.5
177.05580	0.9
179.03488	20.9
180.03900	0.7
191.05606	100.0
192.05894	2.2
203.03519	0.5
221.04599	0.8
229.84412	0.4
231.05244	0.4
271.02460	0.9
300.02682	1.9
313.05716	0.6
323.07660	6.2
337.72025	0.5
353.08658	1.8
463.08755	0.5
485.10614	0.6
503.12094	2.7
515.14124	0.6
615.09937	1.9
677.17151	60.2
678.17358	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	677.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98834	24.0
69.30324	35.9
71.01388	4.8
72.00788	4.3
78.95895	42.9
81.79422	4.2
96.96962	5.6
101.02485	5.0
124.51591	4.7
125.02464	5.0
152.99617	21.3
187.19142	4.7
197.25520	5.0
201.11418	6.4
209.11778	10.7
211.13370	19.2
277.21838	7.5
279.01407	4.1
280.84012	5.1
295.22815	13.1
297.72659	4.7
304.36774	4.6
381.12991	4.8
471.34790	57.8
472.34988	7.5
659.35260	9.8
669.23987	6.7
677.36023	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78539	0.5
55.01860	1.5
57.03441	1.4
58.00590	1.9
59.01379	37.6
61.98831	2.6
63.89894	0.4
65.20906	0.4
69.03449	1.9
71.01380	33.7
71.37270	0.9
72.99310	2.8
73.02950	5.9
73.28336	0.4
74.81767	0.4
75.00875	0.5
78.95910	1.1
81.03449	1.5
83.01392	3.8
85.02951	7.7
85.41141	0.4
87.00880	9.4
89.02446	31.6
91.04021	0.8
95.01385	2.9
97.02947	6.0
99.00869	2.6
101.02442	30.0
109.02972	0.9
111.00889	0.7
111.04499	1.1
113.02443	14.3
114.17303	0.4
115.04009	0.8
119.03498	8.5
121.02911	0.6
123.00869	1.6
123.04541	1.0
125.01520	0.8
125.02438	14.1
127.04016	0.8
131.03482	1.4
133.05103	0.8
135.04514	0.4
139.04004	1.1
141.01939	0.6
143.03488	6.2
145.02980	1.0
149.04509	1.0
151.00351	0.6
152.99597	0.5
161.04556	6.8
163.03941	0.7
165.01901	0.4
167.03468	1.6
169.01459	2.4
179.05620	6.1
185.04530	0.8
191.03467	0.5
209.11771	0.5
211.02571	0.6
217.01408	0.5
217.07149	0.7
221.06630	1.5
235.08218	13.4
236.08348	0.5
245.06656	0.7
249.18504	0.5
253.09274	4.1
263.07629	1.3
271.04633	0.5
277.09259	1.1
277.21704	0.7
279.23273	100.0
280.23636	6.9
287.07660	2.9
305.08783	4.0
311.28583	0.4
315.02374	1.1
315.53049	1.0
323.09796	1.5
361.11890	0.4
371.97549	0.5
379.12256	0.6
397.13480	73.2
398.09418	0.7
398.13809	3.6
415.14551	31.5
416.14874	1.4
455.35440	0.7
626.47296	0.5
656.26105	0.6
677.37030	0.5
677.74323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89975	1.8
59.01348	2.7
61.98827	5.3
65.46878	1.7
70.49632	3.7
78.95905	100.0
83.05030	5.8
86.03535	1.8
96.96968	6.4
117.81316	1.9
134.98596	3.0
152.99580	52.3
163.11299	3.9
171.00737	1.9
209.11829	59.1
227.12898	6.6
279.23273	48.0
280.23514	2.8
315.47546	2.1
363.12109	17.8
381.13199	4.5
395.14746	12.6
415.22757	12.2
433.23795	4.4
643.36139	38.0
644.36957	4.3
644.51770	2.0
675.38409	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	676.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73822	0.3
52.00625	0.3
55.42865	0.3
58.31728	0.3
59.01379	1.4
61.98830	100.0
67.50415	0.3
69.31532	2.6
70.84333	0.3
71.01382	0.9
73.02959	0.3
75.00896	0.4
83.01423	0.4
83.05048	0.3
85.02950	0.5
88.98837	0.3
89.02491	0.4
93.03458	0.4
101.02433	0.7
109.02973	0.3
113.02462	0.3
123.00940	0.3
125.02439	1.5
137.02484	0.6
151.04039	0.4
161.02469	0.6
163.04063	0.6
169.01364	1.7
174.11336	0.3
191.77252	0.3
209.11835	1.1
210.12125	0.9
211.12512	0.3
464.61047	0.4
516.81183	0.4
535.56000	0.4
613.25116	1.3
676.22791	0.5
676.33453	0.9
677.33929	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	675.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76595	0.8
61.98828	14.2
65.85104	0.8
73.63219	0.8
78.95901	29.8
96.96953	2.3
100.83893	0.8
109.06565	0.9
110.98505	2.0
141.49522	0.8
150.98116	0.8
152.99579	39.7
163.11389	0.8
165.12755	0.9
167.01129	1.0
167.10741	0.9
169.12196	0.8
171.00697	3.9
176.21239	0.8
181.12308	1.1
183.13899	8.9
193.12320	2.3
199.09573	0.8
207.10175	3.5
209.11784	2.7
211.13379	100.0
212.13710	4.3
225.11293	6.3
227.03221	4.5
228.97047	1.1
245.04263	1.6
253.21715	27.5
254.21954	1.2
255.23380	3.8
279.23090	1.0
281.24811	11.8
282.25235	2.5
347.12823	4.8
393.12927	0.9
403.09186	0.8
421.16248	2.7
439.17337	98.1
440.17499	6.5
608.43207	0.7
614.11865	0.9
657.37946	5.6
658.94965	0.9
675.38635	35.2
676.39203	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	675.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03448	1.1
58.00589	2.4
59.01377	54.6
60.01714	0.5
61.59898	0.3
61.98822	0.4
68.99820	0.7
69.03460	2.1
71.01379	42.4
72.01720	0.3
72.99307	2.8
73.02939	7.6
75.00869	1.2
81.03446	2.0
83.01384	4.8
83.05003	0.7
85.02949	8.8
86.00105	0.5
87.00331	0.6
87.00869	12.0
89.02441	38.3
90.02789	0.4
91.04024	1.1
93.03453	0.5
95.01385	3.2
95.05038	0.3
97.02943	7.8
98.20663	0.8
99.00886	2.3
99.04529	0.7
101.02440	35.1
102.02789	0.5
103.00385	0.5
103.04027	0.5
109.02948	0.7
111.00887	0.6
111.04526	1.3
113.02448	16.6
114.02783	0.5
115.04015	0.9
119.03490	11.6
121.02949	0.7
123.04530	0.5
124.01643	0.4
125.02441	15.6
126.02809	0.4
127.04008	0.8
127.07623	0.3
129.01935	0.5
131.03526	1.9
133.05054	1.4
137.02480	0.5
139.04004	1.2
139.74794	0.3
141.01910	0.7
143.03505	6.5
149.04549	1.2
161.04538	8.9
167.03487	1.0
169.05119	0.7
171.02988	0.7
179.05594	7.8
185.04555	0.8
185.84932	0.3
199.06129	0.6
203.05687	0.3
216.41620	0.3
217.07143	1.1
219.05139	0.4
221.06635	3.3
221.19554	0.3
233.22803	0.5
235.08214	16.0
236.08691	0.5
245.06635	0.8
253.09265	4.0
259.20587	0.7
263.07727	1.4
277.09354	1.1
277.21695	100.0
278.22067	7.9
287.07654	4.0
291.23114	0.4
305.08777	4.3
323.09729	2.3
361.11768	0.5
379.12393	1.3
397.13470	83.3
398.13791	5.7
415.14526	37.7
416.14932	2.2
675.35748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65786	0.3
55.01881	2.0
57.03448	1.3
58.00594	2.6
59.01377	52.4
60.01711	0.4
61.98831	0.4
68.99811	0.5
69.03452	2.2
71.01380	42.3
72.01715	0.5
72.99307	2.5
73.02944	6.8
75.00885	1.1
76.00383	0.3
78.95923	0.6
81.03453	1.9
83.01387	4.9
83.05026	0.5
83.71003	0.3
85.02953	9.1
86.00113	0.5
87.00875	10.0
87.04552	0.4
89.02443	37.5
91.04021	0.9
93.03461	0.5
94.78730	0.3
95.01397	3.0
97.02950	7.2
99.00896	2.7
99.04555	0.4
101.02440	35.4
102.02773	0.3
103.04034	0.6
109.02968	1.0
111.04531	1.1
113.02446	17.0
115.04009	1.0
119.03494	10.9
121.02969	0.5
123.04514	0.6
124.01663	0.7
125.02448	15.6
127.04010	0.7
129.01924	0.3
131.03525	2.0
133.05075	1.3
139.04021	1.3
141.01949	0.5
143.03496	7.0
149.02455	0.3
149.04532	1.4
161.04559	8.5
167.03513	0.9
169.05124	0.6
179.05611	7.6
181.05122	0.4
185.04602	0.8
199.06129	0.6
203.05602	0.7
209.04669	0.3
217.07172	1.3
219.05109	0.4
221.06693	3.1
233.22798	0.4
235.08218	16.2
245.06630	1.2
253.09308	4.0
259.20660	0.5
261.84372	0.3
263.07571	1.8
275.20099	0.6
277.09283	1.3
277.21710	100.0
278.22058	6.7
278.24985	0.6
287.07678	3.6
291.23349	0.7
305.08789	4.8
323.09717	2.0
361.11487	0.7
379.12494	1.2
397.13486	88.3
398.13788	4.8
415.14551	39.0
416.14911	2.0
675.35925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58066	0.4
58.00628	0.4
59.01375	2.8
61.98829	0.6
67.01875	0.6
68.99816	0.6
69.03449	2.6
70.70277	1.0
71.01377	1.1
72.99326	0.5
73.02962	0.8
74.30301	0.4
75.00883	0.6
79.01906	1.2
81.03463	0.6
83.01393	0.7
85.02937	0.7
87.00887	0.6
93.03505	0.4
95.01382	1.2
97.02906	1.9
99.00896	0.5
107.01390	6.6
109.02922	0.5
111.00899	3.1
115.20303	0.4
121.02953	0.9
122.03730	0.5
123.00895	4.7
124.01669	3.8
125.02445	91.4
126.02810	2.1
127.00359	0.9
135.03018	0.9
135.04555	1.3
136.98831	1.4
137.02440	1.4
139.00389	3.6
139.04057	1.9
140.01160	4.4
149.02434	0.8
149.06105	0.6
150.03217	2.6
151.00388	3.1
151.03954	0.4
153.01994	0.6
161.02399	0.4
162.03157	0.8
163.03978	1.0
165.05580	2.1
166.06363	4.7
166.68608	0.3
167.07063	1.1
168.00641	7.0
169.01419	100.0
169.96843	0.4
170.01775	2.1
181.01457	0.9
181.08685	3.6
183.03001	4.3
191.76811	0.4
193.04980	0.5
195.06613	1.5
299.98322	0.4
307.54880	0.4
312.12003	0.7
317.06787	0.6
327.10828	0.4
327.14471	1.6
347.07681	11.6
347.11743	0.8
348.07898	0.4
384.34674	0.3
467.06921	0.4
657.14642	0.5
675.22906	90.3
676.23206	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	675.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70749	0.4
59.01374	1.2
60.99291	0.7
67.01891	1.6
69.03436	0.5
69.86333	1.6
69.86742	1.0
71.01379	1.4
81.03477	0.5
83.05020	0.9
85.02945	10.9
87.00873	4.2
89.07506	0.4
93.03459	12.5
93.04027	0.8
94.03732	0.4
95.00916	0.4
99.04459	0.6
100.43520	0.5
109.02937	0.9
111.04544	2.2
116.50919	0.4
117.03467	0.4
119.05049	2.8
127.04012	2.7
131.73769	0.4
137.51425	0.4
143.04968	0.5
155.03462	0.6
163.03995	1.5
171.03011	1.0
173.04524	4.4
191.05605	100.0
192.05914	2.3
203.54385	0.4
211.07648	2.4
265.08618	1.0
283.09750	0.4
327.08777	3.2
337.09311	3.4
472.93283	0.4
483.12738	1.1
501.14468	1.1
548.34094	0.4
675.19269	36.7
676.19513	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	675.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
69.28647	1.2
69.29058	1.9
71.01409	0.5
79.88560	0.4
85.02947	5.2
87.00868	1.1
90.48186	0.4
93.03465	3.1
96.95976	0.5
111.04485	0.9
119.05061	0.9
127.04027	1.9
132.04065	0.4
145.02943	0.8
153.75217	0.5
163.04062	1.1
173.04565	1.8
191.05606	100.0
192.05974	2.3
319.97388	0.4
337.09259	23.0
338.09552	1.2
675.18701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08006	0.3
52.85153	0.4
53.54465	0.3
56.22287	0.3
59.01373	1.0
61.71781	0.3
71.01383	0.6
71.52509	0.6
74.81400	0.3
79.46619	0.3
79.95213	0.4
83.62648	0.3
85.02950	5.8
87.00868	1.3
93.03449	3.4
96.74315	0.3
96.96017	1.0
109.02944	0.5
111.04491	0.9
117.03457	0.5
119.05039	1.2
125.02405	0.6
127.04018	1.5
135.02965	0.5
145.02957	0.7
153.01907	0.4
163.03984	1.6
169.01401	0.4
172.15138	0.4
173.04549	1.6
184.67770	0.3
191.05606	100.0
192.05951	2.6
231.50465	0.4
300.99869	0.9
320.01212	0.4
337.09271	23.1
338.09616	1.6
425.87976	0.3
467.03351	0.4
675.18896	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	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01387	4.0
61.98835	7.0
63.97326	0.7
71.01379	3.1
71.58662	0.6
73.02938	1.8
75.00878	0.8
81.03453	1.6
83.05021	2.5
85.02937	2.4
89.02447	1.5
93.03446	2.5
95.01370	2.0
101.02424	1.5
103.00408	0.6
107.01325	0.8
108.02177	46.6
109.02957	45.8
116.92848	1.1
121.02944	1.3
123.00899	2.2
123.04543	1.7
125.02438	5.6
137.02464	5.8
138.67427	0.8
149.99847	0.8
151.03987	0.8
152.01152	53.3
153.01947	26.2
153.05527	0.9
154.02289	0.8
155.72972	0.7
157.12383	1.0
159.74106	0.7
161.02417	2.7
161.04573	0.9
163.03989	2.3
163.11209	1.6
165.01869	1.7
165.12820	1.6
169.01404	2.2
171.10159	1.1
177.01906	1.2
178.99879	1.0
179.03493	1.4
180.45753	0.7
188.75972	0.7
197.49457	0.9
209.11830	40.2
210.12184	1.0
227.12846	5.1
235.08263	0.9
253.09233	2.0
255.02907	1.2
289.07132	3.2
315.07260	1.3
329.80457	0.8
356.74670	0.7
357.26337	1.3
373.26077	1.1
375.27493	24.6
376.27847	1.7
492.07513	0.7
493.96432	0.8
574.51666	0.9
590.77911	0.8
673.34363	100.0
674.34601	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	674.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35197	1.4
58.93555	1.5
59.01371	8.2
61.98829	44.6
64.47800	1.3
67.01891	1.6
69.34068	13.6
71.01364	7.1
73.02936	1.9
81.03458	2.4
83.01411	1.6
83.05018	5.6
83.40622	1.3
85.02942	2.2
87.00845	1.8
89.02436	4.0
93.03442	3.0
95.01360	2.0
96.96027	2.5
97.02895	1.6
99.00852	2.5
101.02444	6.0
107.01388	14.8
109.02994	8.1
113.02455	2.8
116.79021	1.3
117.03461	5.7
117.64490	1.4
119.03466	2.0
121.02967	8.4
123.00897	7.5
123.04516	1.6
125.02453	55.2
126.02792	2.2
134.03737	48.9
134.06013	1.9
135.04538	3.0
135.08145	1.9
137.02448	9.8
138.02736	1.9
139.00381	4.0
139.03952	2.1
140.01215	2.2
141.01836	1.6
145.02975	2.0
147.11771	1.5
149.06058	4.9
149.51016	1.6
151.00383	6.9
152.41988	1.4
153.01949	13.3
153.05519	1.6
160.01665	3.1
161.02437	4.9
161.04536	2.9
163.04018	2.1
163.11304	4.1
165.12813	2.8
168.00659	4.0
169.01421	70.1
170.01730	1.8
171.10252	1.4
174.03078	1.9
175.03987	6.4
178.02895	2.0
181.12495	1.7
183.02966	4.8
183.13947	2.0
187.66724	1.5
188.92192	1.5
191.07077	2.2
193.05058	33.0
199.13341	8.8
200.13763	1.6
207.10243	1.7
209.11818	100.0
210.12144	26.0
217.05016	3.6
227.12883	39.7
228.13277	11.7
229.14330	1.6
235.08249	2.3
245.13805	1.9
247.13242	1.6
253.09206	8.6
289.07288	1.8
290.07550	2.4
297.32513	1.5
299.99063	4.1
300.99902	11.7
302.00174	5.7
401.23083	1.7
417.08246	41.7
418.08646	3.0
419.24481	2.3
463.21838	4.2
464.22055	2.1
513.27106	1.6
611.14075	63.1
612.14087	7.9
655.33478	2.0
656.33813	2.4
673.34528	6.1
674.17853	4.0
674.34967	9.5
675.19049	1.6
675.32288	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	673.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
57.03427	1.8
58.00571	1.0
59.01383	5.6
61.98835	5.6
67.01887	1.4
69.03448	1.2
71.01410	4.6
71.01739	1.1
72.99297	0.8
73.02935	0.7
75.53929	0.6
79.01885	2.4
80.02643	0.5
81.03435	1.1
83.01392	1.1
83.05027	1.4
85.02937	1.4
87.04548	0.6
88.98792	1.2
89.02432	1.9
93.03462	1.1
95.01385	3.4
95.05032	0.6
97.02947	1.3
98.20660	0.6
101.02477	2.8
107.00734	0.7
107.01395	10.9
109.02936	0.6
111.00855	1.0
113.02414	2.3
116.01501	0.5
119.03390	0.6
121.02924	1.3
122.06101	0.7
123.00008	1.2
123.00892	22.6
124.01664	0.8
125.02445	35.4
135.08128	0.6
135.29034	0.6
136.98758	0.9
137.02443	3.2
139.00380	7.7
139.03911	0.9
140.01114	1.4
141.01944	2.7
150.06807	0.8
151.00354	12.6
152.07101	1.9
153.01923	1.4
161.02412	0.6
163.03970	0.7
163.11234	1.7
165.01863	0.6
165.12817	1.3
167.03441	1.1
168.00638	2.5
169.01421	63.3
170.01717	1.7
171.10220	0.8
179.03465	0.8
181.01411	1.2
183.02950	0.6
193.01358	1.3
195.03119	0.7
199.13330	4.4
209.11819	34.2
210.12126	1.9
211.02463	7.3
227.12875	18.8
253.03488	1.3
253.09280	2.1
279.23145	1.1
285.04044	0.9
285.12491	0.8
289.06982	0.9
309.24219	1.0
311.25604	0.6
313.05539	1.7
313.23978	3.1
327.25357	1.2
341.26901	3.6
359.27991	12.4
360.28040	1.1
373.29614	6.8
401.29196	0.6
417.67297	0.6
445.20691	0.7
463.21735	1.4
550.21936	0.6
565.24902	0.9
609.23590	0.9
637.31763	1.0
641.25916	1.6
655.33636	1.5
673.34216	100.0
674.34680	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	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07202	0.2
55.01875	0.3
55.23050	0.2
59.01376	2.0
61.98843	0.3
69.33426	2.1
71.01378	1.8
73.02949	0.5
80.02670	0.9
81.03448	0.9
83.01409	0.2
83.05024	4.4
84.02153	0.9
85.02945	0.4
87.00870	0.3
89.02452	1.2
93.03490	0.4
95.05041	0.5
97.06638	0.3
101.02444	1.5
113.02456	0.5
125.02454	1.0
125.06159	0.3
125.09698	0.3
135.08147	0.6
145.05025	0.3
161.04581	0.8
163.11296	3.6
165.12860	2.4
167.03270	0.3
169.01413	2.0
171.10275	2.4
181.12357	0.7
191.10817	0.9
199.13370	0.4
209.11826	100.0
210.10318	0.4
210.12178	4.4
221.11798	0.3
227.12892	12.8
228.13229	0.7
235.08159	1.3
247.13498	1.2
253.09277	6.3
260.65671	0.3
265.14514	0.3
344.07217	0.2
405.71432	0.3
445.20764	0.8
449.48001	0.3
507.18393	0.3
543.34894	0.3
593.30042	0.4
637.32227	0.9
655.33563	0.4
673.34271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
57.03445	0.2
59.01374	1.8
61.98847	0.3
66.69241	0.2
69.03445	0.2
71.01379	1.7
73.02942	0.5
80.02672	0.7
81.03457	1.2
83.01389	0.6
83.05020	4.5
84.02157	0.6
85.02946	0.6
87.00893	0.4
88.07972	0.2
89.02448	1.2
93.03454	0.3
95.05013	0.3
97.06583	0.4
101.02428	1.6
109.06609	0.2
113.02440	0.8
119.03529	0.4
125.02444	1.3
125.09697	0.2
135.08173	0.6
151.00275	0.2
161.04553	0.7
163.11298	3.4
164.69221	0.2
165.12857	2.1
169.01390	1.7
171.10252	2.3
181.12321	0.6
191.10777	1.1
209.11816	100.0
210.12158	5.0
221.11789	0.3
227.12875	13.1
228.13237	0.5
235.08212	1.5
247.13371	1.0
253.09271	5.4
265.14432	0.4
271.02383	0.4
300.02768	0.5
301.03439	0.8
331.41171	0.3
362.79703	0.2
419.24161	0.3
437.25342	0.2
445.20758	0.5
463.08560	0.3
637.32196	0.4
655.33069	0.4
673.22424	0.4
673.34631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
61.98828	30.5
71.01368	5.5
71.53465	1.6
73.02920	1.0
78.95900	1.7
82.59550	1.0
83.05026	1.3
85.02933	2.6
87.00873	0.9
88.98769	1.0
89.01938	1.0
89.02445	3.0
92.27806	0.9
96.96011	0.9
97.02940	1.1
99.00871	1.1
101.02451	4.7
111.08178	1.0
113.02438	2.4
125.02463	1.3
146.96599	1.8
152.99542	1.1
161.04582	1.6
163.11281	2.3
165.12856	15.0
171.10239	2.3
183.13890	100.0
184.14235	4.1
197.06023	1.9
199.13402	2.0
200.18167	0.9
207.10222	1.5
209.11812	22.5
210.12106	1.3
211.13377	9.6
216.01974	1.1
225.11310	2.9
227.12892	12.5
235.08208	1.7
248.98946	0.9
253.09256	3.4
261.83032	1.1
301.16513	3.8
343.09351	1.0
397.13498	0.9
445.20633	1.4
463.21783	4.4
473.32584	2.8
511.29211	6.9
629.35663	5.6
637.32581	1.4
651.66675	1.0
655.33063	6.0
673.34418	58.3
674.34637	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	673.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.98843	2.1
67.01904	0.4
69.03431	1.7
69.43217	0.9
69.43631	1.5
71.01392	1.1
72.99300	0.3
73.02942	0.6
79.01901	0.9
81.03461	0.5
83.01426	0.5
92.60702	0.3
97.02943	1.8
97.84595	0.3
101.02468	0.5
107.01387	14.2
111.00966	0.5
117.03436	0.4
121.02977	0.6
123.00896	0.8
124.01601	0.7
125.02444	81.3
126.02786	1.5
137.02463	1.3
139.00363	0.4
139.03970	0.8
145.02916	1.0
147.02893	0.4
150.03293	0.4
151.00345	0.6
161.02415	0.6
163.04071	0.4
164.01144	0.4
165.01910	0.7
168.00685	0.5
169.01418	100.0
170.01738	2.9
171.88998	0.3
183.03001	1.5
209.11908	0.7
231.05165	0.3
244.03226	0.6
250.18816	0.3
255.02870	0.9
256.03195	1.1
264.00262	0.3
271.02289	2.0
272.02850	1.4
289.07358	1.0
300.02731	4.2
301.03235	3.8
302.03821	1.5
326.11539	0.6
327.12158	0.5
341.13940	0.6
355.11743	0.3
463.08838	0.9
464.09140	1.5
489.17636	0.6
491.19690	0.5
503.19067	0.9
610.12872	6.9
611.13300	0.8
673.21338	40.7
674.21661	6.0
678.07385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.98843	2.1
67.01904	0.4
69.03431	1.7
69.43217	0.9
69.43631	1.5
71.01392	1.1
72.99300	0.3
73.02942	0.6
79.01901	0.9
81.03461	0.5
83.01426	0.5
92.60702	0.3
97.02943	1.8
97.84595	0.3
101.02468	0.5
107.01387	14.2
111.00966	0.5
117.03436	0.4
121.02977	0.6
123.00896	0.8
124.01601	0.7
125.02444	81.3
126.02786	1.5
137.02463	1.3
139.00363	0.4
139.03970	0.8
145.02916	1.0
147.02893	0.4
150.03293	0.4
151.00345	0.6
161.02415	0.6
163.04071	0.4
164.01144	0.4
165.01910	0.7
168.00685	0.5
169.01418	100.0
170.01738	2.9
171.88998	0.3
183.03001	1.5
209.11908	0.7
231.05165	0.3
244.03226	0.6
250.18816	0.3
255.02870	0.9
256.03195	1.1
264.00262	0.3
271.02289	2.0
272.02850	1.4
289.07358	1.0
300.02731	4.2
301.03235	3.8
302.03821	1.5
326.11539	0.6
327.12158	0.5
341.13940	0.6
355.11743	0.3
463.08838	0.9
464.09140	1.5
489.17636	0.6
491.19690	0.5
503.19067	0.9
610.12872	6.9
611.13300	0.8
673.21338	40.7
674.21661	6.0
678.07385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
59.94581	1.1
61.98828	100.0
62.35644	1.1
69.98454	4.4
71.53445	0.9
84.24527	0.9
85.53907	0.9
90.10905	0.9
104.60950	0.8
107.01342	0.9
109.03004	1.3
120.12967	1.1
120.99621	1.2
121.02943	1.1
125.02425	3.0
135.04497	0.9
151.00345	3.7
163.03787	1.0
169.01378	1.4
211.03938	1.0
227.03563	1.2
243.02936	1.7
255.02943	11.1
256.03506	1.0
271.02481	20.1
272.02948	1.5
283.02454	26.4
284.03116	6.1
285.04019	20.2
299.01944	35.2
300.02628	7.1
301.03497	33.2
302.03967	2.3
327.05115	1.3
446.08612	4.9
447.09241	19.1
448.09656	1.4
462.07886	10.3
463.08856	4.7
489.09903	1.2
554.19330	1.1
609.14569	93.3
610.14520	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	673.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01448	2.0
61.98606	0.3
61.98889	0.9
65.00381	0.8
67.01970	1.3
68.99891	0.5
69.03522	0.4
69.45380	2.2
71.01472	1.8
72.99380	0.6
78.91964	0.4
79.01557	0.4
79.01978	1.3
81.03547	0.6
83.01459	0.6
85.03048	0.6
87.00938	0.8
89.02528	0.7
93.03551	0.4
95.01494	5.4
97.13026	0.3
101.02513	0.7
107.01389	1.9
108.02292	1.6
109.02944	2.7
111.00871	2.9
121.03042	0.5
123.00883	23.5
124.01719	2.3
125.02445	14.1
127.00498	1.3
136.98921	1.2
137.02557	1.5
139.00368	7.2
139.04118	1.5
140.01143	4.2
141.01950	2.2
151.00351	2.4
151.04149	0.5
152.01173	2.2
153.01959	2.3
161.02586	0.5
162.03352	0.4
165.01936	0.4
166.99843	9.6
168.00647	3.0
169.01411	8.8
170.86142	0.4
173.23854	0.3
183.02979	2.3
195.02966	2.2
209.11969	1.1
265.08871	0.9
268.07452	0.6
289.07288	0.8
293.08389	0.9
294.09167	0.6
295.09906	0.9
296.18475	0.4
309.11578	0.4
311.09369	1.2
312.10071	0.6
325.11026	0.4
326.11649	3.1
327.12296	6.8
328.13065	0.6
341.14011	0.9
341.17908	0.4
370.10461	0.7
445.09552	0.6
450.13412	0.6
460.11505	0.8
461.12158	0.7
463.10220	3.5
477.11893	0.7
478.12680	21.2
479.12921	2.7
493.15005	100.0
494.08127	0.5
494.15396	11.6
673.21179	26.6
673.34119	2.2
674.21600	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	672.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
61.98829	25.4
65.00317	1.4
65.02537	0.7
69.03426	0.8
71.01363	1.8
71.52946	1.1
71.53310	0.8
83.01376	1.5
85.02940	1.6
87.00867	0.9
89.02456	1.2
93.03459	2.6
96.95980	0.9
97.02952	1.3
101.02419	1.2
107.01389	13.5
108.02236	1.1
109.02988	1.0
111.00833	0.8
117.03466	2.0
119.05014	2.1
121.02955	1.9
123.00871	1.0
125.02447	62.7
134.03671	0.9
134.50731	0.8
135.04483	1.4
137.02428	4.0
141.88405	1.0
145.02980	8.2
148.01627	1.6
150.03152	0.9
151.00359	11.8
161.02515	1.7
161.06125	0.9
163.00388	1.5
163.04025	2.0
164.01001	1.1
164.04486	0.8
165.05505	1.7
167.07150	1.0
169.01427	74.6
170.01781	1.1
175.04065	0.8
178.98486	0.9
178.99854	4.8
179.03409	1.1
180.07382	0.9
197.71838	0.7
211.03946	0.9
216.04182	0.8
226.02711	1.2
227.03450	2.6
243.02988	9.4
245.04565	0.8
254.02150	1.5
255.02988	27.1
256.03265	1.7
271.02460	51.5
272.02921	4.1
273.03802	1.0
283.02448	1.0
289.07208	0.9
299.01965	1.7
300.02734	100.0
301.03458	38.6
302.03677	2.9
332.44174	0.9
463.08804	34.4
464.08948	2.4
491.34018	0.8
609.12463	95.7
610.12750	7.6
671.33447	1.0
672.15112	1.0
673.21320	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94677	1.0
51.14629	0.9
59.01374	4.7
61.30445	1.2
61.98828	28.7
63.02375	1.3
63.72363	1.2
69.63789	5.1
69.64204	2.5
71.01377	2.2
87.00854	1.4
88.98797	1.5
89.02440	1.3
93.03432	6.9
101.02411	1.4
105.16490	1.3
106.73775	1.0
107.01363	4.6
108.88855	1.1
109.02953	2.0
112.25407	1.1
116.91218	1.1
119.03452	1.2
119.05042	1.8
121.02948	3.2
123.00869	3.7
123.04548	1.7
125.02439	7.6
133.45116	1.3
135.04491	2.2
137.02428	12.4
138.02803	2.5
139.00378	1.6
139.03992	1.6
145.02911	5.9
149.02440	1.6
150.03149	2.5
151.00360	13.9
151.03860	2.2
161.02423	6.0
161.06018	1.7
161.66243	1.2
163.00354	3.4
163.04050	1.3
165.05466	1.9
169.01430	7.6
175.03935	1.8
178.99789	6.3
179.03479	2.3
199.04015	1.6
226.02632	1.4
227.03462	3.7
230.94577	1.3
243.03009	6.9
255.02963	19.7
256.03354	1.4
271.02438	42.4
272.03107	4.1
283.02353	1.4
284.03204	3.5
285.03928	5.3
300.02734	82.0
301.03473	41.7
302.03741	2.6
307.08096	5.0
311.09259	2.3
318.40036	1.3
326.11380	2.2
331.06653	4.2
341.13812	1.6
354.14685	1.2
463.08786	29.4
464.09030	2.2
465.06937	2.1
510.16846	1.5
553.40240	1.3
609.12421	100.0
610.12860	9.4
672.19171	2.3
673.21729	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	671.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81521	0.5
55.01880	3.0
57.03438	3.1
58.00591	2.4
59.01377	100.0
61.98836	1.7
69.03445	1.9
69.25032	5.2
71.01379	49.9
72.99313	2.6
73.02943	10.7
75.00879	0.5
83.01385	5.9
84.02180	0.7
85.02947	23.1
85.03465	1.1
86.00095	1.2
87.00870	3.1
89.02023	0.3
89.02441	23.0
95.01384	6.4
97.02969	2.7
99.00860	5.3
101.02438	27.8
102.02776	0.8
109.06570	1.8
111.00871	2.5
112.01681	1.2
113.02443	30.5
114.02773	0.9
115.03995	0.8
119.03501	9.3
124.01646	2.5
125.02433	4.5
125.03228	0.6
126.88303	0.6
129.01936	2.5
131.03520	1.0
143.03490	7.3
159.02975	2.4
161.04544	8.9
163.11256	1.3
179.05583	2.2
207.10222	4.6
209.11818	8.8
225.11313	2.7
227.12939	1.4
230.45065	0.5
288.41919	0.6
423.07382	1.0
449.28745	3.9
461.20337	0.9
467.30042	9.5
468.30173	1.1
537.30377	1.0
575.32288	0.8
581.33154	1.3
586.01282	0.6
611.34290	79.6
612.34601	10.0
629.35370	80.0
630.35620	10.7
635.30878	0.7
653.31000	0.8
671.35846	5.2
672.36444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.7
61.98827	5.7
66.73405	0.9
71.01365	2.7
71.05011	1.1
78.95894	1.0
81.03439	1.5
83.05009	3.6
89.02425	1.5
89.50768	0.9
95.01391	1.2
97.02935	2.6
101.02450	2.4
109.06581	10.4
110.03764	1.0
113.02454	1.4
121.02958	1.2
122.06100	1.1
123.04491	1.5
124.99216	1.0
125.02418	2.2
125.09638	1.1
133.02946	1.6
135.08138	1.4
148.02023	1.0
152.07172	1.2
161.02470	2.3
161.04561	1.1
161.70274	0.9
162.02791	1.6
162.06830	3.1
163.11296	7.0
163.59746	0.8
165.12767	1.4
169.01443	2.4
171.10294	1.8
176.08421	2.9
177.09102	1.3
177.37424	0.9
181.12297	1.6
185.11772	1.7
197.02209	4.1
207.10254	27.3
209.11819	39.6
210.12128	1.8
225.11301	16.1
227.12930	5.6
235.08290	2.0
242.02281	1.3
243.12347	1.1
253.09337	4.5
285.72134	1.0
293.09094	1.3
309.03357	1.0
313.23703	2.0
373.23877	1.0
399.21683	2.0
401.40063	1.0
413.34067	1.4
417.22620	3.3
423.06995	2.5
461.20187	5.6
469.23077	1.2
472.32263	1.2
473.36349	100.0
474.36746	9.1
479.33371	1.1
511.01978	0.9
635.30579	3.8
639.25256	1.7
650.10858	1.1
653.31781	6.3
671.14813	1.2
671.31195	7.7
671.39423	17.6
672.40485	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	671.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
57.03442	1.0
59.01378	14.2
60.99302	0.7
61.98824	5.9
71.01377	7.4
71.05019	1.3
73.02943	2.2
75.00864	0.7
75.92422	0.6
78.95871	0.6
83.01382	0.9
83.05006	0.8
85.02943	3.9
85.06554	0.6
87.00874	0.9
89.02430	3.8
93.03440	0.6
95.01369	1.0
97.02927	1.1
99.00893	0.9
101.02424	4.3
101.89402	0.5
109.06561	2.0
113.02422	4.2
119.03519	1.3
125.02451	1.5
135.08127	0.7
137.02486	0.9
143.03477	0.8
153.24335	0.7
161.02490	0.9
161.04573	1.2
163.11296	1.5
170.66423	0.5
171.10199	0.6
207.10265	5.7
209.11809	11.2
225.11305	7.2
227.12784	1.6
229.58066	0.5
234.19724	0.6
235.08311	0.8
241.09793	3.5
250.09506	0.6
253.09294	1.3
256.12201	1.9
288.68613	0.6
315.13501	5.1
393.31522	1.0
399.21786	0.8
401.64780	0.5
449.29266	0.7
461.20227	1.8
467.30069	1.2
473.32684	100.0
474.32950	10.1
482.74722	0.6
611.34418	10.8
612.34723	1.3
629.35461	9.1
630.35156	1.0
635.30872	0.7
653.32135	1.2
671.31720	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	671.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93744	0.4
57.03443	0.7
59.01377	1.3
61.98830	5.7
65.03962	0.8
69.47850	0.8
69.48158	3.2
71.01406	2.1
72.99319	0.6
73.02977	0.5
81.03464	0.7
85.02960	1.5
88.98802	0.9
93.03458	47.2
94.03790	1.1
95.01382	0.8
101.02431	0.9
108.02174	24.4
109.02953	20.1
110.03235	0.6
113.02468	0.8
115.40820	0.4
119.05029	0.8
121.02954	0.6
123.00844	0.8
123.04514	5.5
125.02444	1.4
125.09709	1.3
135.03029	0.4
137.02443	100.0
138.02748	2.7
151.04004	0.9
152.01146	24.8
153.01935	12.3
153.05576	4.2
161.02509	0.9
163.04002	0.7
165.01938	0.7
168.00648	0.6
169.01424	1.5
171.10272	1.5
178.68947	0.4
201.11324	1.7
207.10242	1.3
208.50343	0.4
209.11859	3.1
211.02495	0.5
225.11339	2.0
227.13008	0.8
253.09373	0.7
287.94360	0.5
355.24838	0.7
373.25912	10.3
483.18256	0.7
653.31012	0.5
671.32776	49.2
672.33185	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	671.2673
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
53.24120	4.2
60.58998	4.5
61.98819	16.5
70.84418	10.9
78.95918	11.5
209.11670	7.9
277.21793	10.7
279.23233	13.0
341.62225	5.8
431.44165	5.9
671.26727	100.0
672.27032	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	671.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46329	0.6
57.03425	0.5
59.01366	1.9
61.98833	3.8
62.13694	0.6
66.17809	0.6
71.01371	2.1
72.18649	0.5
72.99313	0.7
73.02889	0.7
81.03435	1.5
83.01347	0.8
85.02937	2.3
88.98782	0.7
93.03452	11.8
95.01378	2.2
97.02909	0.6
98.20700	1.1
99.29465	0.7
101.02425	0.8
108.02174	45.0
109.02950	38.7
109.38687	0.5
113.02420	1.5
119.05018	1.9
123.00853	2.3
125.02444	1.3
125.09684	1.3
127.11248	0.7
133.02924	0.8
135.00888	0.6
135.04485	1.5
137.02443	21.0
137.09668	0.6
145.02876	0.8
151.03952	1.1
152.01146	50.5
153.01942	21.2
154.81166	0.7
160.01631	0.7
161.02365	1.8
161.06020	0.6
163.04044	3.3
165.01869	1.0
169.01405	1.3
171.10197	3.2
174.01640	0.5
175.04034	0.8
179.03467	0.7
207.10234	0.8
209.11847	2.8
224.71730	0.6
225.11284	1.8
227.12900	0.7
229.46384	0.7
239.43491	0.7
285.03955	1.0
333.09634	1.7
351.12170	0.6
355.24796	1.0
371.24207	0.9
373.25931	20.3
374.26419	1.3
447.04605	0.6
519.18726	0.7
609.15216	0.9
671.32758	100.0
672.33398	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	671.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.4
57.03667	0.7
58.00552	0.9
59.01383	4.0
61.98839	6.9
64.67258	0.6
66.70670	0.7
67.01868	1.8
69.03450	1.0
71.01378	4.3
71.53135	1.1
72.99287	1.2
73.02894	1.0
79.01859	2.0
81.43825	0.6
85.02912	0.9
87.00826	0.9
89.02406	0.9
93.03455	1.1
95.01339	2.8
97.02923	1.6
97.06593	0.7
99.04482	1.2
101.02401	1.8
107.01395	11.0
109.02913	1.5
109.06573	0.8
111.00820	1.7
113.02428	1.8
119.03448	0.8
121.02953	4.3
123.00037	1.4
123.00883	22.4
123.04482	1.2
125.02442	37.5
133.02908	1.0
134.03705	0.6
136.98784	0.7
137.02454	3.2
139.00378	4.8
139.04013	0.9
140.01118	0.8
141.01862	2.5
144.61046	0.6
145.02902	1.9
146.03667	0.7
147.04465	1.4
149.06010	1.7
150.06857	11.1
150.99208	0.8
151.00362	13.3
151.03946	1.0
153.01859	1.9
161.02412	1.0
161.09665	0.8
163.03860	0.7
163.07544	2.1
163.11189	0.9
164.08331	2.6
165.01921	3.9
167.03545	3.1
168.00563	2.8
169.01419	68.0
170.01703	1.6
171.10287	0.7
179.03358	0.8
179.07181	1.4
179.10765	4.9
181.01450	0.9
193.01379	0.9
207.10139	2.6
209.11838	5.9
211.02464	7.8
225.11192	3.2
227.12859	1.0
231.57501	0.7
233.08081	0.8
240.94795	0.7
249.80016	0.7
253.03580	1.0
274.41727	0.7
277.21362	0.7
307.22565	1.0
309.24173	1.4
311.21988	1.9
312.05017	0.8
313.05478	1.5
323.25870	0.8
329.23373	3.5
339.25098	2.9
357.22275	0.8
357.26392	13.0
358.26395	1.0
371.28003	6.6
399.26871	0.8
467.16492	0.8
491.33499	0.8
508.33710	0.8
509.28195	0.9
509.34698	7.2
624.11017	0.7
671.32050	100.0
672.32611	11.9
676.65668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97557	0.4
57.03434	0.4
59.01379	1.7
59.17428	0.4
61.34379	0.4
61.98843	0.7
69.34621	3.3
71.01379	8.5
73.02958	2.8
81.44859	0.4
83.01377	1.0
85.02956	4.0
85.96434	0.4
87.00896	0.5
89.02428	1.1
93.03440	0.6
95.01389	1.0
97.02932	0.6
99.00889	1.5
99.04521	0.5
101.02438	5.1
101.37413	0.4
108.02186	1.5
109.02934	2.8
113.02454	4.0
119.04999	0.4
121.02967	2.9
121.06589	0.5
122.03735	100.0
123.04566	12.5
125.02444	0.6
128.68898	0.4
135.04501	1.8
137.02464	2.2
137.06094	2.0
140.33696	0.5
143.03539	0.5
146.83180	0.5
147.04544	1.8
149.06100	1.0
156.89281	0.4
159.02963	1.6
161.02516	0.8
161.04553	13.1
165.05565	6.6
167.03511	1.4
177.05566	3.4
190.50305	0.4
191.05643	1.8
262.38553	0.4
285.09827	4.5
329.08759	61.6
330.09070	3.1
370.79840	0.5
402.53864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.4
60.28471	1.0
71.01385	5.7
71.52028	1.8
75.00854	5.9
85.02944	3.0
89.02450	2.1
93.03452	2.1
93.66936	1.1
96.37618	0.9
96.38230	1.0
100.95153	1.1
101.02344	1.9
102.33527	1.0
104.09698	1.0
104.64449	1.1
108.02175	1.8
113.02453	2.9
117.01968	1.4
119.04993	2.1
120.99636	3.3
121.02945	4.5
122.03731	9.9
123.04527	12.3
124.01685	1.9
125.02454	2.3
133.02936	3.7
134.03696	2.3
135.03012	6.6
135.04515	8.8
136.01645	2.2
136.05315	14.1
147.42450	1.1
149.02446	16.5
149.06097	2.4
150.03218	85.7
150.29320	1.1
151.04013	35.6
161.02411	2.7
161.04501	1.4
162.03172	1.3
164.04794	5.1
165.05560	100.0
165.95369	1.1
166.05940	3.0
167.07187	1.2
169.01434	1.0
177.05460	1.9
179.07112	1.2
180.04332	6.1
181.05045	12.6
191.05643	1.8
195.06618	81.6
196.07021	2.4
259.32593	1.3
311.09229	9.9
333.06293	1.3
343.11856	21.0
344.12210	1.5
391.13965	93.8
392.14249	4.8
410.78320	1.5
415.13666	2.2
491.15253	1.3
509.16858	2.1
553.19153	41.7
554.19458	3.4
554.79163	1.3
671.21912	47.8
672.22095	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	669.3858
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
59.01366	1.9
61.98837	3.7
71.01376	1.0
73.02920	0.8
85.02935	1.4
87.00839	0.9
89.02451	1.1
93.03458	0.7
101.02435	0.8
109.02946	1.2
113.02486	0.9
117.03493	1.2
119.05039	1.1
125.02440	1.2
135.04521	1.3
135.08142	1.3
136.05339	0.8
137.02457	1.8
139.11298	0.9
145.02942	3.8
149.06102	1.8
150.06857	28.7
151.03970	1.0
161.02487	1.7
163.04019	2.0
163.07622	11.3
164.08420	7.6
169.01418	2.2
179.10765	16.9
185.11797	2.4
209.11861	4.1
218.22908	0.8
267.41824	0.9
291.19595	1.0
309.20883	0.9
327.21744	13.5
327.25327	1.2
328.22116	1.1
363.21735	0.9
378.33240	0.8
409.08878	0.8
452.20114	0.7
489.32153	3.9
492.30902	1.5
506.32425	20.4
507.33215	29.2
508.33530	3.1
559.79028	0.9
669.38678	100.0
670.28387	0.7
670.39069	14.9
672.57031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
58.37144	0.5
59.01379	3.0
61.98829	7.7
65.75141	0.5
69.28265	2.6
69.28681	1.4
71.01378	2.0
73.02936	1.0
74.58788	0.5
75.00877	0.5
78.95902	0.7
85.02943	1.4
88.98801	1.4
89.02449	0.9
93.03463	1.2
95.01378	0.6
96.96024	0.8
98.20670	1.0
101.02428	1.7
108.02168	1.0
109.02948	1.2
113.02486	0.9
116.92836	0.8
117.03493	0.9
119.05034	0.9
121.02983	0.8
123.00908	0.9
123.04539	0.9
125.02438	2.7
125.09719	1.2
135.04503	0.8
135.08165	0.9
136.05339	0.6
137.02412	3.2
137.06024	0.7
145.02963	3.8
149.02443	0.8
149.06067	2.3
150.06859	34.0
151.00348	0.7
151.07323	0.9
152.01166	2.1
161.02472	1.3
161.09700	0.7
162.06841	0.8
163.04076	1.3
163.07654	10.6
164.08427	7.8
167.03490	3.3
169.01469	3.0
171.10301	3.0
177.09087	0.8
178.09988	0.9
179.10777	17.2
180.11154	1.1
190.99948	0.5
209.11818	2.0
213.11295	0.7
278.35468	0.6
292.20093	0.5
300.22958	0.5
320.19620	0.6
325.23682	1.0
327.21765	14.0
328.21704	0.6
333.54205	0.5
363.21893	0.8
364.22519	1.3
446.30591	0.7
461.32745	1.2
478.22357	0.5
488.31757	0.6
489.32095	3.8
492.30930	0.6
506.32471	12.8
507.33228	29.7
508.33539	1.5
521.35181	0.9
549.34247	0.8
669.38702	100.0
670.39240	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	669.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.7
59.01378	7.1
61.98824	11.3
70.28418	5.6
71.01366	5.7
80.02680	1.8
81.03473	2.7
83.05042	3.8
85.02943	3.0
89.02457	4.8
101.02436	4.7
113.02467	2.3
125.02388	2.2
163.11282	3.1
165.12804	2.0
167.10759	1.7
169.01416	2.6
169.29561	1.5
171.10312	1.7
179.14384	2.3
195.13902	6.8
197.02231	7.5
205.12288	7.1
209.11827	100.0
210.12158	5.0
223.13379	71.9
224.13669	3.4
227.12816	14.8
235.08189	2.3
253.09261	11.4
376.97952	1.6
429.07022	1.7
445.20688	2.7
445.37094	3.1
453.31314	1.7
459.22501	5.0
471.34769	90.1
472.35141	8.8
489.35904	15.3
614.28845	1.9
633.21521	1.8
669.38904	19.8
670.37433	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	669.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29287	0.4
59.01376	4.1
59.95286	0.5
61.31226	0.5
61.98832	14.4
62.05416	0.5
71.01376	2.5
71.53110	0.6
73.02943	0.9
83.01387	1.1
85.02922	1.2
88.98760	0.6
89.02419	0.5
92.91171	0.4
93.03436	0.8
99.00894	0.5
101.02427	1.6
105.03397	0.6
108.02170	1.4
109.02963	1.9
113.02436	0.9
117.03493	2.4
119.05009	0.9
121.02937	0.5
122.03735	0.5
125.02419	1.4
132.02164	2.5
133.02957	33.4
134.03659	0.5
135.02966	0.7
135.04536	10.5
137.02458	1.9
145.02948	2.0
152.01094	1.6
153.01910	0.7
161.02440	100.0
162.02771	4.2
162.83871	0.9
163.03972	0.6
168.00684	0.5
169.01398	2.2
179.03520	4.2
201.23900	0.5
205.05168	0.5
209.11740	0.8
442.42291	0.5
669.38812	71.6
670.29657	0.8
670.39252	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	669.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72409	0.7
57.03444	0.9
59.01373	7.2
61.98827	10.2
69.25304	6.8
71.01390	3.5
73.02948	1.7
78.95901	0.8
85.02945	2.2
86.56993	0.6
88.98814	2.5
89.02451	1.8
93.03458	1.8
95.01323	0.7
95.05081	0.8
96.41656	0.7
96.95997	0.9
98.20634	1.5
101.02423	1.8
108.02187	1.3
109.02976	1.5
113.02432	1.4
116.92915	0.8
117.03484	2.3
119.04996	1.7
120.84241	0.9
122.03720	3.7
123.00867	1.2
123.04516	2.1
125.02445	2.7
125.09731	0.9
133.02940	1.5
135.04533	1.3
135.08167	1.3
137.02469	3.0
137.09665	0.9
137.35124	0.7
144.81532	0.6
145.02940	9.5
146.03316	1.3
147.04517	4.5
149.02502	1.0
149.06122	1.6
150.03227	3.2
150.06876	29.2
151.04077	0.8
151.07405	0.8
152.01128	0.8
161.02423	4.4
161.04585	1.0
163.04022	3.0
163.07635	10.3
164.08443	7.4
165.05573	4.0
169.01405	3.0
171.10289	2.2
171.51682	0.7
177.09224	1.5
178.09946	0.9
179.03401	1.0
179.10764	16.4
183.13818	1.3
195.06606	1.7
209.11847	1.5
225.11363	1.4
232.91856	0.8
286.05411	0.9
327.21716	13.6
328.22202	0.8
351.21844	0.9
357.26486	11.6
358.26584	0.9
473.18671	1.6
489.32388	3.2
492.30536	0.9
506.32446	16.9
507.25134	1.5
507.33154	26.4
508.33594	2.3
584.90875	0.8
622.13220	1.0
669.38733	100.0
670.39227	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	669.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38804	0.6
59.01363	1.7
61.86887	0.5
61.98838	5.1
71.01368	0.9
74.96651	0.6
78.95902	1.5
98.19899	1.9
101.02444	1.1
101.37315	0.6
106.46646	0.6
121.02915	0.6
123.00914	0.9
126.57110	0.7
133.02997	0.8
145.02940	2.5
161.02420	3.5
169.01353	0.8
197.02216	8.1
209.11827	1.0
219.12747	0.6
373.08255	0.7
438.29996	0.8
469.32999	4.3
470.33679	1.0
471.34775	100.0
472.35126	11.3
489.35904	8.9
490.36075	0.9
503.33627	0.9
562.57751	0.8
669.38043	17.2
670.37952	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	669.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33447	1.4
59.01370	6.2
61.98825	25.5
70.84883	3.7
70.85208	1.6
71.01344	1.6
82.04688	1.5
83.85928	1.9
85.02970	2.1
87.88486	1.5
93.65900	1.6
96.95992	1.6
101.02406	2.3
121.02923	1.6
125.02438	2.0
145.02937	4.1
153.01810	1.7
162.83873	2.4
168.15694	1.7
197.02199	13.2
207.10294	1.6
209.11784	4.9
223.09862	1.8
223.13301	2.3
224.66641	1.6
225.11349	1.9
304.05853	1.7
337.17645	1.7
469.33234	8.2
470.33411	2.2
471.34952	100.0
472.35349	14.3
489.35739	5.1
669.38153	39.9
670.37659	3.1
675.10724	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	669.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	2.4
60.52430	1.6
61.98821	7.9
62.38191	1.7
75.00348	1.8
76.51286	1.7
98.19824	6.1
141.71228	1.9
197.02277	9.6
209.11835	12.9
223.13371	4.2
227.12856	2.9
367.11588	1.9
471.34891	100.0
472.35196	14.4
475.34378	2.5
625.40820	2.6
669.27374	3.1
669.37976	30.7
670.37622	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65310	1.6
55.67410	1.8
55.81585	1.8
57.03431	3.3
58.00587	2.2
59.01105	2.7
59.01381	31.7
61.98827	3.8
68.48883	1.7
71.01379	23.1
71.52842	3.9
72.99302	3.4
73.02946	5.5
73.54488	2.0
75.00877	17.9
78.08752	1.8
85.02969	4.5
87.00872	6.8
89.02445	21.5
95.01373	3.2
96.96000	12.0
98.95604	6.7
99.00886	2.8
101.02434	14.4
109.02943	1.9
111.08155	4.2
113.02459	8.8
116.92863	2.6
119.03498	6.0
119.05050	2.9
125.02420	3.6
125.09736	1.9
133.02966	28.2
135.02997	37.5
135.04546	6.2
145.02907	4.1
146.73848	1.9
149.06044	2.4
161.02443	81.0
162.02817	3.5
163.04005	2.7
165.12846	48.8
166.13219	2.0
169.01340	2.6
171.10291	2.1
179.03520	6.5
179.05516	3.7
183.13893	100.0
184.14252	2.6
193.05124	2.1
195.67625	2.1
197.15469	6.6
207.13820	8.7
209.11836	8.1
215.40138	2.2
225.14915	4.0
227.12892	86.2
228.13226	3.6
251.12909	11.8
255.02982	2.3
269.13962	7.4
284.03183	2.5
299.14838	3.1
300.10196	2.2
300.99875	2.4
311.29065	1.9
313.11328	7.9
317.42044	1.9
323.07806	1.9
329.16016	10.2
341.10980	3.3
345.15793	2.9
373.25955	29.4
374.26501	2.2
389.18210	29.2
447.18637	5.9
477.17596	11.5
507.20868	65.0
508.21207	4.0
551.23480	28.3
552.23975	3.0
639.20929	16.3
640.21936	2.3
651.20984	8.5
669.26086	74.0
669.56616	2.1
670.26624	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	669.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.5
58.00582	1.9
59.01377	24.6
61.98826	2.3
69.03436	2.0
69.19299	15.9
70.18253	1.9
71.01375	22.4
72.99295	2.0
73.02930	5.1
75.00867	20.2
76.97837	2.0
85.02947	5.6
87.00871	5.8
89.02441	23.7
93.03436	1.9
96.96010	6.8
98.20690	3.1
98.95575	6.5
99.00918	2.3
101.02438	16.6
109.45058	1.9
111.08160	5.9
113.02410	10.0
119.03489	4.7
120.50464	2.0
125.02432	2.7
133.02943	25.9
134.03760	3.3
135.02994	44.2
135.04526	7.3
145.02971	2.8
146.17119	2.0
155.10797	1.8
161.02429	78.4
162.02744	4.6
164.41148	1.9
165.12837	49.7
165.14153	3.7
175.03922	2.6
177.02121	2.2
179.03505	3.8
179.05591	3.1
183.13882	100.0
184.14189	3.7
197.15498	7.3
207.13918	6.1
209.11717	10.8
225.14856	3.8
227.12872	83.4
228.13348	3.6
251.12862	12.6
255.03453	2.1
269.13931	6.5
299.15097	3.1
313.11142	4.2
329.15918	11.3
341.10849	5.2
371.13403	3.4
373.25803	13.0
380.57556	2.3
389.18164	25.6
391.85205	2.0
447.18658	5.2
462.15286	2.3
477.17514	11.3
489.17471	2.8
507.20865	71.5
508.21310	3.9
533.16486	2.3
551.23438	28.5
552.23572	2.8
639.20764	16.8
640.21179	2.9
651.21393	10.6
669.26080	65.2
669.36829	3.8
670.26007	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	669.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29778	0.3
59.01110	0.3
59.01362	0.7
60.99296	0.3
67.01884	0.4
69.32918	0.8
69.33335	1.8
71.01362	0.4
74.99079	0.3
75.00869	0.9
81.03508	0.4
85.02952	5.8
87.00881	1.3
93.03468	1.9
108.17248	0.3
109.02931	0.9
111.04500	0.7
118.98065	1.1
123.00848	0.3
125.02419	0.7
127.04015	1.7
133.02968	0.4
134.03770	0.4
135.04514	1.0
137.02466	0.3
151.00336	0.6
153.01917	4.3
161.02457	1.6
165.04076	2.0
165.89120	0.3
167.03560	0.4
172.30779	0.3
173.04546	0.9
179.03532	1.0
179.32307	0.3
191.05612	100.0
192.05942	2.4
193.05017	0.5
197.11470	0.3
229.35997	0.3
278.07245	0.3
289.07230	0.4
301.00003	0.4
303.04977	0.4
315.07178	1.4
327.07129	0.7
353.08755	13.1
354.09125	0.7
414.13824	0.4
669.17474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74527	0.5
54.58304	0.4
59.01379	3.4
61.98818	2.1
63.02382	0.8
65.00317	1.8
69.33921	3.7
71.01373	1.2
73.02918	0.6
83.01394	1.8
85.02945	0.8
89.02446	1.5
91.01878	0.5
93.03489	1.1
96.95983	0.7
99.00856	0.6
99.92646	0.7
99.94720	0.5
101.02441	1.7
107.01398	4.3
108.02174	1.5
109.02965	1.4
111.00801	0.6
113.02432	0.6
116.92856	7.2
119.05019	1.1
121.02971	3.1
124.01621	0.5
125.02430	1.2
130.81749	0.6
133.02908	1.1
134.03754	0.6
135.00902	1.2
135.02994	1.1
135.04495	1.9
145.02953	0.6
148.01653	1.2
149.02402	1.1
151.00354	12.7
161.02405	4.8
161.06119	0.5
163.00365	3.0
163.04047	1.1
164.01115	0.6
164.04707	0.6
165.01886	0.8
166.06326	0.7
169.01427	1.2
175.00366	0.6
175.03941	1.1
178.99854	5.9
179.03513	1.0
181.08670	1.7
183.13867	1.4
190.02721	1.1
190.99908	0.6
191.03468	2.4
191.05469	0.6
193.05107	0.7
198.03152	0.5
199.03983	1.4
201.02005	0.7
203.03514	0.7
205.05032	1.5
211.04027	1.2
215.03398	0.6
226.02647	2.1
227.03441	4.2
235.19583	0.6
243.02960	11.5
245.04576	1.1
254.02205	2.7
255.02968	32.2
256.03430	1.7
264.54083	0.6
271.02457	65.1
272.03003	5.2
273.03857	0.6
283.02487	1.3
285.04099	1.3
299.02090	2.6
299.05182	0.6
300.02722	100.0
301.03464	43.1
301.08548	0.7
302.03809	2.2
314.04324	1.9
315.05154	5.2
316.05273	0.7
327.14514	2.4
343.04697	0.8
353.08731	2.2
463.08783	52.4
464.09149	3.0
477.10345	4.8
489.19687	1.9
507.21753	0.9
632.32416	0.6
639.20972	0.8
669.14569	48.1
669.26703	3.2
670.14661	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	667.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32973	0.6
55.01859	0.6
59.01376	12.5
61.57581	0.5
61.98824	4.7
69.18750	5.5
71.01382	13.8
71.05035	0.9
72.26107	0.5
73.02967	0.8
78.77122	0.5
85.02922	1.0
87.00875	0.9
89.02445	18.7
94.10123	0.5
95.01357	0.6
101.02449	6.8
113.02444	4.8
119.03492	2.3
131.03555	0.7
143.03484	1.6
149.04596	1.2
161.04555	2.5
179.05600	11.2
179.07031	1.0
264.41782	0.5
407.33151	2.1
423.32559	1.1
425.34085	1.6
439.32156	0.9
441.34000	0.6
443.35049	1.0
459.30878	0.6
469.33173	11.3
470.33557	1.1
487.34265	100.0
488.34595	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	667.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32875	0.2
53.47368	0.3
59.01380	3.2
61.98828	0.8
68.52972	0.2
71.01377	2.3
72.99288	0.3
73.02937	0.7
78.95907	0.5
83.01389	0.7
85.02935	0.5
87.00877	0.5
89.02440	1.5
101.02475	2.0
113.02457	0.9
114.27735	0.3
119.03548	0.4
125.09714	0.8
127.11276	1.5
143.03450	0.3
153.09222	0.5
161.04555	1.0
171.10268	93.0
172.10600	2.8
176.19896	0.3
233.22830	0.3
235.08171	2.8
253.09291	6.7
267.19705	0.3
275.20294	0.3
277.21701	100.0
278.22073	6.5
407.19440	0.5
445.93054	0.3
513.30719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
60.49429	0.4
61.98831	100.0
71.51926	0.5
73.38352	0.4
78.95922	0.6
94.18682	0.4
101.59007	0.4
122.93790	0.4
171.10266	19.9
172.10616	1.8
253.09369	1.3
277.21722	11.0
278.22083	3.7
279.23050	0.5
317.58856	0.5
317.64233	0.5
352.38943	0.5
529.22595	0.7
625.54803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
61.98823	0.9
69.35703	0.6
69.36112	1.3
71.01389	2.0
73.02949	0.7
78.95919	0.6
83.01402	0.3
83.05013	0.3
85.02946	0.5
87.00861	0.6
88.29799	0.2
89.02448	1.6
90.76537	0.2
95.01422	0.3
101.02457	2.0
113.02458	1.2
119.03568	0.4
120.56313	0.2
125.09732	0.8
127.07654	0.3
127.11316	1.5
128.33112	0.2
153.09219	0.3
161.04578	0.8
171.10265	90.6
172.10597	2.2
221.06738	0.3
227.22688	0.2
235.08192	2.7
253.09286	5.8
254.09593	0.3
275.19974	0.5
277.21704	100.0
278.22058	6.1
278.25018	0.3
407.19278	0.4
513.30566	0.4
685.43628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
57.03450	2.7
58.00560	0.7
59.01380	16.1
60.99300	1.5
61.98839	2.3
62.03260	0.4
62.41555	0.4
62.66701	0.5
69.03445	0.5
69.22849	4.8
71.01383	30.6
72.99296	0.9
73.02950	11.2
75.00860	0.8
83.01387	7.6
85.02950	19.2
86.00109	0.7
87.00892	1.9
87.48556	0.5
88.98825	0.9
89.02431	2.8
93.03465	1.2
93.48381	0.5
95.01382	3.2
97.02973	0.8
98.20663	1.1
99.00879	5.3
101.02445	26.9
109.06618	0.5
110.74070	0.6
111.00863	1.2
113.02452	11.7
113.70945	0.4
119.03539	0.9
119.05045	0.8
121.02962	0.8
125.02435	1.4
129.01964	0.9
135.04520	0.5
137.02444	2.0
143.03496	1.3
145.02957	2.4
146.03719	0.5
149.06049	0.8
159.03006	1.8
161.02480	1.1
161.04559	7.7
163.03958	1.1
169.01422	0.8
227.12846	0.5
245.38661	0.6
261.95004	0.5
312.69080	0.5
425.30408	0.7
441.33374	0.6
443.35428	0.7
505.31882	0.9
605.40826	4.5
606.40955	0.7
623.41772	2.5
667.40668	100.0
668.41132	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	667.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
59.01381	11.6
61.55125	0.7
61.58814	0.8
61.72173	0.8
61.98824	10.7
64.03393	0.9
69.03461	1.5
71.01366	5.6
71.53183	1.0
73.02937	2.7
75.00877	8.4
78.95899	2.4
79.01906	1.0
80.81026	0.9
83.01394	2.6
85.02966	3.9
85.63214	0.9
87.00862	2.0
89.02431	1.6
95.01389	2.1
97.02947	4.9
99.00880	4.8
101.02443	2.6
107.01398	7.2
107.05010	0.7
109.04156	0.8
111.00891	5.6
112.42516	1.0
113.02441	1.8
121.02927	3.1
123.00890	10.8
124.01643	0.8
125.02445	38.2
126.02756	1.1
128.01448	0.8
129.01921	2.8
135.04518	1.9
136.98805	1.2
137.02434	1.8
137.77992	0.7
139.00340	3.6
140.01157	2.0
141.01926	2.6
145.02963	1.2
151.00415	4.4
159.02963	2.8
165.01909	1.7
168.00635	4.2
169.01418	59.8
170.01752	1.5
177.03964	1.4
207.04991	1.4
209.11784	2.0
211.02486	7.6
211.13406	2.2
223.02396	1.1
267.05106	0.8
271.04593	1.2
307.04309	0.9
311.04028	3.1
329.04984	2.0
371.59839	0.8
461.09299	2.4
487.34259	2.7
513.31854	1.4
623.38940	0.9
667.29614	100.0
668.29779	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	667.406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44965	0.6
53.34488	0.7
53.56795	0.7
55.01876	4.1
57.03442	2.7
58.00573	0.9
59.01377	32.6
60.99302	5.3
61.98827	14.1
65.81316	0.6
69.03455	1.0
69.72932	0.7
71.01380	44.2
71.05014	2.9
72.99316	2.1
73.02945	13.7
75.00867	1.7
83.01383	7.2
83.05032	1.2
85.02951	24.9
86.00099	1.6
87.00859	1.9
88.98804	2.8
89.02437	8.5
93.03433	1.7
95.01383	4.1
97.02905	0.8
98.19881	2.5
99.00862	5.0
101.02442	31.8
102.02773	1.0
109.06586	0.9
111.00871	1.4
113.02444	17.3
116.87012	0.8
116.88883	0.8
117.03439	5.7
119.03503	3.1
119.05048	6.4
123.00867	0.9
123.04523	0.9
124.01670	0.9
125.02424	5.7
129.01984	1.0
133.06610	3.9
134.03763	1.1
137.02426	1.8
143.03490	1.8
145.02957	15.9
147.04506	0.8
149.99698	0.9
151.00378	1.4
159.02972	3.5
160.01659	1.4
161.02423	2.6
161.04558	13.6
161.05910	1.3
163.03975	3.6
165.05583	0.9
165.12741	1.2
168.00621	1.5
169.01390	4.4
174.01588	0.9
175.03944	1.9
179.03499	1.1
179.05656	1.8
183.13898	2.5
205.05028	1.1
209.11852	1.0
215.07101	1.2
227.12813	2.5
233.08064	1.7
265.07230	1.0
327.30588	0.8
351.17172	0.8
380.74524	0.9
384.19028	0.8
389.18839	0.8
411.32504	1.0
425.34167	5.5
439.32706	1.0
441.33603	1.6
443.35330	18.3
444.35608	1.1
475.34171	3.1
487.34280	14.6
488.34570	2.6
505.35599	30.6
506.35440	3.4
605.40533	11.2
606.40814	2.0
610.57318	0.9
623.41785	6.4
624.42004	1.3
637.23352	3.6
638.23260	0.8
649.23584	3.3
667.40582	100.0
668.40863	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	667.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.5
61.98822	0.8
62.82229	0.6
63.67639	0.5
71.01376	4.1
72.99295	0.6
73.02947	0.7
83.01357	0.6
85.02914	0.9
89.02420	3.2
93.03460	2.3
101.02433	2.2
101.03085	0.5
106.41927	0.5
113.02448	1.8
116.92807	0.8
117.03466	12.3
117.86523	0.5
119.05025	49.4
120.05396	1.4
121.02953	2.4
123.04504	0.9
131.04993	1.0
132.05853	3.7
132.06740	0.7
133.06595	11.0
134.06877	0.7
137.02422	1.2
145.02948	61.8
146.03293	0.8
147.04510	1.2
150.03223	0.7
159.04482	1.6
161.06078	30.1
162.06424	1.2
163.04005	52.3
164.04327	2.0
169.01385	0.9
177.05566	10.2
187.03986	3.6
205.05046	41.2
206.05363	1.3
211.58043	0.5
217.05000	0.9
224.04721	1.7
227.10724	0.7
235.06099	44.9
236.06436	2.0
238.06351	1.2
239.10750	1.0
241.08633	0.8
253.08739	0.6
255.10220	3.3
257.69052	0.5
265.07150	100.0
266.07846	3.0
269.11859	0.9
270.12582	0.6
283.09747	15.0
284.10193	1.2
294.09076	1.2
295.09808	2.8
296.10461	1.1
297.11313	0.7
298.12061	2.0
305.21198	0.7
307.08334	0.9
310.08530	0.8
310.12085	0.6
311.09225	35.1
312.09628	2.8
325.09164	15.2
325.14255	0.5
326.11618	21.5
327.11905	1.7
341.13904	31.4
342.14191	2.3
461.36884	0.7
505.35211	6.1
525.75800	0.5
667.24463	0.9
667.36865	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.98835	0.9
71.01382	2.6
71.05019	0.4
73.02965	0.6
73.80946	0.4
83.01356	0.4
85.02959	0.8
89.02417	0.5
99.00909	0.4
101.02406	1.8
113.02460	0.6
117.03465	35.5
118.03798	0.7
119.05032	13.0
121.02978	1.2
145.02953	100.0
146.03291	3.2
147.04482	0.7
161.06084	0.5
163.04007	9.7
177.05598	2.0
205.16025	0.4
228.50827	0.4
263.38528	0.4
267.06738	0.4
268.07513	0.6
269.08072	0.6
281.08188	0.7
282.08826	0.5
283.09659	0.4
299.09155	0.4
300.10062	0.5
311.09290	0.5
314.11591	0.6
315.12262	1.1
326.11609	1.0
327.12170	0.7
329.14044	0.8
341.14035	0.8
366.24130	0.3
425.34225	2.0
441.33926	0.9
443.35284	8.9
444.35565	0.6
459.16522	1.5
461.14191	0.3
471.16574	1.7
473.18243	0.4
476.16595	0.6
487.34491	3.6
491.19162	2.9
497.66370	0.4
503.19159	2.8
505.35309	3.4
531.18622	0.8
637.22900	35.2
638.23456	4.2
649.22864	21.0
650.23022	2.3
667.24213	1.4
678.63226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1515
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
59.01385	0.7
59.94926	0.4
63.02388	1.7
65.00323	3.5
69.70232	2.1
70.00555	0.3
83.01376	2.2
90.74277	0.4
93.03460	1.2
94.03809	0.4
96.96017	0.9
107.01391	6.3
108.02163	0.9
109.02930	1.1
115.81481	0.3
121.02962	5.9
125.02441	1.1
135.00883	0.8
135.02980	0.4
137.02405	0.4
139.04002	0.6
147.00914	0.4
148.01645	0.9
149.02411	0.7
151.00363	29.1
152.00697	0.9
159.04465	0.5
160.39481	0.4
161.02414	0.8
163.00383	2.3
163.04019	0.6
164.01117	0.6
165.01952	0.4
169.01396	1.2
175.02309	0.4
175.03838	0.4
178.99852	12.9
180.00313	0.4
183.21361	0.4
187.03995	0.4
190.99855	0.5
191.05614	2.5
192.00566	0.7
193.01399	0.7
199.03949	0.5
201.05545	0.7
203.03465	0.5
209.88885	0.4
211.03984	0.8
216.04010	0.4
220.89813	0.3
226.02670	1.0
227.03537	2.6
229.05057	1.3
243.02953	7.3
244.03329	0.5
245.04515	1.7
254.02191	1.2
255.02975	19.3
256.03461	1.0
257.04691	0.5
271.02457	41.6
272.02933	2.8
273.03940	1.5
283.02448	1.5
299.01944	3.1
300.02728	84.5
301.03491	100.0
302.03848	5.0
326.01535	0.4
390.67746	0.4
433.53287	0.4
463.08783	14.8
464.09186	1.3
478.85800	0.4
505.09848	99.2
506.10205	8.9
667.15387	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	667.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82832	0.3
59.01373	1.9
60.09793	0.3
61.98817	0.6
69.36020	0.3
70.38791	1.0
71.01385	2.2
71.05000	0.4
73.02937	0.7
83.01397	0.5
85.02932	0.7
87.00848	0.4
89.02422	0.5
96.96001	0.3
97.19967	0.3
97.80546	0.3
101.02443	1.3
103.68382	0.4
113.02419	0.5
117.03464	35.1
118.03793	0.9
119.05033	12.7
120.05327	0.7
121.02948	1.2
125.02381	0.4
145.02951	100.0
146.03270	3.4
147.04543	0.6
159.04559	0.3
161.06143	0.5
163.04012	10.0
164.04350	0.5
177.05551	1.2
191.08722	0.3
236.79634	0.4
266.07086	0.3
269.08270	0.6
281.08139	0.6
283.09662	0.5
299.09439	0.4
300.09955	0.5
305.04636	0.3
307.08197	0.5
311.09293	0.4
314.11597	0.6
315.12463	0.6
326.11621	1.0
327.08554	0.3
327.12399	1.0
329.13818	1.1
341.13956	1.2
395.29501	0.4
425.34241	1.8
441.34195	0.4
443.35287	8.4
459.16510	2.0
471.16769	1.5
476.16586	0.8
485.18069	0.8
487.34232	2.8
491.19208	2.2
503.19336	3.1
505.35593	2.8
531.18909	1.0
605.39746	0.4
637.22858	31.5
638.23340	4.2
649.22876	20.2
650.22760	1.8
667.23798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1506
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
51.39788	0.5
56.10271	0.5
59.01373	0.5
62.28111	0.4
65.00326	0.7
70.84258	0.8
82.55748	0.4
107.01408	1.9
109.02969	1.8
125.02400	0.9
133.02902	1.1
135.04623	0.5
137.02460	0.6
138.06815	0.4
149.02298	0.4
151.00391	6.4
160.60852	0.5
163.00346	0.7
169.01459	0.5
171.04478	1.1
175.00281	0.6
175.04012	0.6
178.99895	1.4
183.04573	0.8
187.04054	0.9
191.05656	0.9
199.04013	4.3
201.01939	1.1
203.03487	0.7
211.04112	0.8
213.02005	0.5
215.03452	1.9
226.02800	1.2
227.03473	3.6
243.02940	5.4
254.02196	0.8
255.02946	2.2
271.02466	60.8
272.02786	3.2
299.01953	100.0
300.02597	14.2
301.03510	30.0
302.03897	1.9
313.03357	0.8
343.04422	0.8
345.84677	0.4
406.75601	0.5
462.08011	23.4
463.08722	13.6
464.09079	1.0
505.09821	17.4
506.10123	1.1
547.10632	1.4
607.12927	1.2
625.13916	0.8
667.15112	71.1
668.15442	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	667.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19541	0.3
59.01373	0.4
63.02412	0.8
65.00334	0.9
69.29206	0.9
69.29620	2.2
73.02966	0.4
83.01398	0.5
89.80258	0.4
93.03461	0.4
107.01408	1.7
109.02942	1.7
121.02962	1.1
125.02433	0.9
133.02988	1.0
135.00894	0.4
143.04962	0.6
147.00911	0.6
147.04543	0.4
151.00360	6.7
155.04929	0.4
161.02478	0.5
163.00400	1.0
163.04079	0.4
164.01225	0.5
165.02031	0.5
165.84854	0.3
169.01416	0.6
171.04466	0.8
175.00424	0.5
175.03967	0.7
178.99860	0.9
183.04570	0.5
185.02328	0.4
187.03978	0.9
189.05415	0.4
191.05612	1.9
199.03993	4.5
201.01974	1.3
201.05614	0.5
203.03413	0.5
210.55428	0.3
211.04004	0.5
213.01865	0.4
215.03503	2.2
226.02724	1.4
227.03484	3.4
229.05020	0.8
243.02991	5.5
255.02933	2.7
271.02457	57.9
272.02847	3.5
273.04376	0.5
285.04050	0.4
299.01944	100.0
300.02579	13.8
301.03506	37.1
302.03909	1.8
313.03564	1.0
325.03564	0.4
343.04492	1.4
462.07983	0.4
463.08792	11.3
464.09052	0.8
504.09085	21.0
505.09830	26.5
506.10150	2.1
613.24414	0.4
667.15112	74.6
668.15399	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	665.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89819	0.9
54.57309	0.7
56.23456	0.8
61.98797	1.2
78.95909	17.7
80.02675	2.3
81.03410	1.8
83.04564	1.2
83.05015	8.0
84.02169	1.5
95.05036	1.7
104.79871	0.7
110.98520	12.6
118.13012	0.7
125.09767	1.2
152.99576	2.2
157.08336	0.7
163.11273	5.1
165.12827	3.6
167.01149	5.2
181.12207	1.5
185.02202	1.1
191.10672	2.1
199.13362	1.7
201.11298	1.0
209.11813	100.0
210.12140	3.4
227.12869	29.4
229.01427	0.8
255.23276	73.3
256.23648	5.0
277.21527	1.2
405.24243	0.9
409.16397	1.4
419.25800	0.9
423.25269	5.6
427.17368	1.8
537.39960	1.1
563.04688	0.9
633.37640	11.1
647.39984	0.9
665.40350	43.5
666.40729	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	666.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46853	0.2
59.01369	0.3
61.98829	100.0
72.99719	0.2
89.02438	0.2
98.20697	0.2
151.82358	0.2
194.24957	0.2
288.32639	0.2
340.05481	0.2
469.32266	0.2
486.32745	0.2
487.34125	0.4
516.26514	0.2
606.40765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
63.02404	0.7
65.00337	1.0
70.91204	0.3
71.01365	0.4
71.51322	0.4
71.51736	0.5
82.10086	0.3
83.01398	0.6
85.02942	0.7
86.57934	0.3
87.00874	0.6
93.03452	1.8
95.01377	0.4
100.78178	0.3
107.01387	1.8
109.02953	1.4
119.05012	0.8
121.02954	0.9
123.00869	0.3
125.02435	1.1
133.02982	0.9
135.00797	0.5
135.02975	1.0
135.04471	0.5
137.02382	0.5
140.54932	0.3
143.05035	0.3
147.00905	0.4
147.04497	0.4
149.02466	0.4
151.00365	6.9
157.02992	0.5
159.04477	0.6
161.02446	0.5
163.00385	1.0
163.03976	0.9
165.01828	0.6
169.01408	0.6
171.04486	0.9
173.02419	0.3
173.04529	0.6
175.00351	0.7
175.03940	1.1
178.99858	1.7
179.03510	0.6
183.04445	0.5
183.66020	0.3
185.34053	0.3
187.03961	0.9
189.05542	0.4
191.03770	0.5
191.05600	9.5
193.05014	1.1
198.03235	0.5
199.03973	4.4
201.01900	1.4
203.03477	0.7
211.03928	0.5
213.02026	0.4
215.03453	1.6
226.02594	0.8
227.03484	3.2
229.01465	0.5
229.05005	0.5
243.02956	5.0
254.02281	0.7
255.02980	2.5
271.02448	58.3
272.02844	3.2
298.00919	0.4
299.01935	100.0
300.02582	13.7
300.06058	0.6
301.03491	27.6
302.03973	1.5
313.03528	0.9
320.52429	0.3
331.23163	0.3
334.10840	0.3
337.09283	2.7
343.04596	1.0
344.48767	0.3
386.95514	0.3
462.07974	23.9
463.08746	14.6
463.15381	0.6
464.09024	1.0
504.09103	0.8
505.09863	16.7
506.09912	1.2
547.11200	1.1
625.14417	1.5
667.15094	64.3
668.15363	8.5
668.26630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3904
Annotation	Cyclopassifloside VI
Peak:m/z	Relative Intensity
59.01376	12.0
61.98829	11.2
65.03943	0.6
69.46849	4.2
71.01383	6.9
72.99313	0.7
78.59910	0.7
78.95899	1.0
83.05011	3.3
87.51939	0.7
89.01941	0.8
89.02442	12.1
98.19961	1.4
101.02441	4.1
103.92014	1.1
104.92789	5.6
111.24922	0.6
113.02464	2.1
116.92809	0.6
117.03448	1.3
119.03483	2.0
119.05058	1.4
125.02464	1.1
145.02927	2.2
161.02397	1.4
161.04581	1.0
163.04005	1.9
179.05591	6.9
261.90717	0.6
270.04874	0.7
357.27994	1.8
401.21890	0.6
405.31586	1.6
413.30844	1.2
423.32611	2.0
441.33783	1.2
455.31577	1.3
467.31625	12.8
468.31665	1.2
485.32706	100.0
486.33087	10.6
487.34000	0.8
503.33643	1.7
523.73669	0.7
603.36896	1.1
635.88208	0.7
665.24310	4.2
665.37738	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	665.3906
Annotation	Cyclopassifloside VI
Peak:m/z	Relative Intensity
52.53754	0.6
52.89147	0.6
59.01379	11.6
61.98833	12.3
69.37535	2.8
69.37958	2.6
71.01386	9.2
71.05009	1.3
72.99287	0.7
73.02946	0.7
77.31406	0.6
83.05014	3.2
85.02927	0.9
87.00887	1.1
89.02438	11.2
97.17784	0.6
101.02445	5.2
104.30271	0.6
104.92818	1.8
113.02428	2.7
117.03460	0.8
119.03489	2.9
135.04497	0.7
143.03436	0.9
145.02934	1.1
151.09541	0.7
161.02414	1.7
161.04550	2.4
177.03886	0.7
179.05611	6.2
179.07036	0.9
199.78970	0.6
205.16066	0.6
207.34929	0.6
357.27957	1.1
393.31393	1.0
401.27298	0.7
407.29340	1.1
413.30661	1.0
423.32571	1.9
437.30392	0.9
467.31586	14.0
468.32181	1.8
485.32703	100.0
486.32968	11.5
487.33951	3.5
503.34052	1.7
603.37274	1.1
665.36511	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	665.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	70.4
61.98829	100.0
64.80109	4.3
71.01386	16.1
71.05041	5.2
72.55163	4.5
75.12485	4.0
78.95905	13.3
80.51003	4.9
80.96489	9.6
89.02434	6.8
101.02398	4.7
119.05025	6.1
125.02439	10.9
139.79604	5.1
145.02968	14.1
160.84200	25.0
162.83896	16.5
169.01453	5.7
197.02220	18.5
256.69937	4.8
340.15109	5.5
421.31073	8.9
437.30768	11.9
443.28003	5.1
455.31622	85.1
456.32141	7.4
467.31995	22.0
500.05667	4.6
503.33304	10.2
583.32990	5.3
619.38623	8.4
665.17133	6.8
665.35461	63.0
666.18567	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	665.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35785	0.6
56.37718	0.6
59.01390	5.4
61.98824	1.5
69.44942	3.3
69.45351	1.5
71.01385	2.5
73.02919	0.8
85.02926	1.6
95.01342	0.9
101.02431	1.6
103.27454	0.8
111.08142	1.1
119.15841	0.7
125.02350	0.9
161.02461	1.1
165.12843	19.2
167.38213	0.6
183.13895	81.8
184.14247	2.1
209.11819	1.7
224.20828	0.8
227.12874	100.0
228.13184	3.6
232.67012	0.9
284.03204	1.5
343.11896	1.3
437.23901	4.3
485.29141	3.7
640.24121	0.9
665.36224	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	665.3908
Annotation	Cyclopassifloside VI
Peak:m/z	Relative Intensity
53.39698	0.4
55.65914	0.5
55.90256	0.6
59.01379	7.8
59.95672	0.5
61.98827	6.6
62.94843	0.5
71.01382	7.4
71.05011	1.5
71.53094	0.9
78.95899	1.0
84.84628	0.5
85.02946	1.3
87.55511	0.6
89.02446	11.0
101.02436	4.4
103.92015	1.4
104.92821	3.7
113.02426	2.5
118.74721	0.5
119.03474	2.4
119.05064	0.7
125.02451	0.7
131.03473	0.9
138.08200	0.5
138.19926	0.5
143.03484	1.2
145.02881	0.7
161.04509	1.2
179.05624	5.8
277.21631	1.0
369.27643	0.6
375.31320	0.6
393.31570	1.4
396.80267	0.6
421.31381	1.3
423.32666	1.7
437.30963	0.8
441.33820	1.0
467.31671	10.4
468.32086	1.0
485.32703	100.0
486.33069	11.1
517.35406	1.3
605.40601	0.9
665.23938	2.0
665.37616	1.0
666.24634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99021	0.5
56.42505	0.6
58.00584	1.0
59.01380	37.3
61.77880	0.6
69.61450	0.6
70.57227	0.9
70.57570	1.2
71.01382	19.0
72.99303	1.6
79.56689	0.6
83.01420	0.7
85.02950	4.2
87.00870	1.4
89.02444	23.9
95.01389	1.3
101.02441	13.4
113.02450	8.9
119.03509	8.8
131.03477	1.0
143.03473	0.9
151.57919	0.5
161.04492	0.9
164.25369	0.5
179.05574	1.7
190.87344	0.7
191.05598	0.8
202.09644	0.5
323.13455	100.0
324.13742	4.9
365.79242	0.7
650.79657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49131	3.9
59.01381	73.7
61.79245	4.6
61.98830	82.6
62.63919	4.1
71.01385	4.2
71.05043	5.5
71.53277	6.9
78.95891	12.8
80.96499	6.3
81.67287	4.2
85.02951	6.5
89.02427	6.3
97.06607	4.6
101.02475	6.5
111.00873	7.2
116.92902	4.4
121.02954	6.4
123.04555	4.9
125.02399	10.8
127.86890	4.3
132.83141	5.7
137.02484	4.8
145.02965	8.9
160.84186	5.1
161.02393	8.2
162.83919	19.0
164.83556	8.4
169.01488	6.9
172.19441	4.6
197.02242	29.0
246.64432	5.0
298.10291	4.9
383.25397	6.0
421.31027	10.3
437.30624	8.6
455.31616	100.0
456.31952	13.8
465.30035	9.6
467.31497	23.3
485.32202	9.9
499.30817	9.7
503.33606	8.3
619.37640	5.2
665.36060	49.0
666.17560	7.4
666.35547	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20832	0.2
57.74461	0.2
59.01380	1.0
60.93711	0.2
64.70588	0.2
71.01378	1.5
73.02955	0.4
85.02948	0.8
93.03461	0.4
98.20679	0.4
99.92606	0.3
101.02444	1.0
102.94938	0.3
108.02211	0.5
109.02973	0.8
113.02441	0.7
116.92887	0.8
117.03468	31.3
118.03813	0.9
119.05022	13.2
120.05363	0.5
121.02975	1.0
122.03735	0.5
123.04494	0.3
125.02547	0.3
133.06586	0.3
134.03731	0.3
135.04581	0.4
136.01663	15.8
137.02490	1.8
145.02954	100.0
146.03299	2.6
151.04013	15.6
152.04312	0.4
159.04483	1.0
160.05249	0.4
161.06094	1.7
163.04010	11.6
169.01459	0.3
173.06081	0.8
175.03992	1.2
175.07620	0.5
176.04750	1.5
177.05534	0.7
181.89189	0.3
187.03972	1.3
189.05585	0.6
190.06400	0.3
191.07123	1.4
203.07121	0.5
205.05118	0.3
219.06656	0.4
235.06351	0.3
247.06059	0.5
278.24625	0.2
279.06628	0.7
294.09119	0.7
307.08218	43.9
308.08530	2.0
312.10010	0.9
313.10699	1.0
327.12393	3.4
342.11087	0.6
343.11829	14.2
344.12115	0.9
357.13406	3.7
487.16229	0.6
503.30081	1.3
635.21289	0.9
665.22394	27.6
665.35181	1.3
666.22632	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	665.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03438	0.3
59.01390	1.7
61.98832	1.4
69.03452	0.6
69.23950	0.3
71.01384	2.4
71.05025	2.6
73.02947	0.6
80.91696	0.3
82.35974	0.3
83.05059	0.3
85.02964	1.2
85.73660	0.3
88.98810	0.5
89.02456	0.6
90.60733	0.3
93.03438	0.6
94.39964	0.3
95.01392	0.4
96.96010	0.8
101.02461	1.4
108.02165	0.6
109.02952	0.7
111.00882	0.3
112.98563	0.4
113.02448	0.9
116.92857	0.4
117.03470	30.9
118.03755	0.8
119.05025	14.4
120.05313	0.4
121.02911	0.8
122.03759	0.4
123.00920	0.5
123.04543	0.4
125.02440	1.8
133.02892	0.4
133.06584	0.4
135.04568	0.7
136.01668	15.3
137.02498	2.0
145.02954	100.0
146.03291	2.9
147.04549	0.4
151.04010	15.1
152.04379	0.6
158.03625	0.4
159.04512	1.2
160.05244	0.3
161.02403	0.6
161.06081	1.2
163.04016	13.0
165.12904	0.5
169.01414	1.7
175.04012	1.2
176.04778	1.2
177.05521	0.7
187.04031	1.0
190.06427	0.6
191.07123	1.4
205.05067	0.6
229.29268	0.4
239.12892	3.2
247.06050	1.1
279.06598	0.8
294.08655	0.4
307.08215	47.3
308.08658	2.3
312.10037	0.9
313.10684	1.3
327.12329	3.9
342.11093	0.5
343.11859	12.6
344.12405	1.0
357.13440	2.5
459.30673	2.3
473.29364	0.3
503.29999	15.6
504.30420	0.8
635.21222	1.0
665.22314	23.5
665.35364	13.2
666.22681	3.4
666.35175	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	665.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02592	0.6
59.01385	5.6
61.98828	3.0
63.43318	0.6
69.03419	0.7
69.30075	5.8
71.01376	1.7
72.11407	0.6
76.44556	0.5
85.02948	2.4
87.00895	1.3
89.71201	0.6
93.03463	1.6
105.80598	0.6
110.00097	5.0
113.02469	2.0
121.02951	1.1
123.00834	1.2
124.01733	0.7
125.02472	5.1
126.56756	0.7
133.02937	2.0
135.04541	3.8
137.02440	4.1
137.99611	5.6
139.00363	7.3
139.03986	0.7
140.01132	0.6
149.04587	0.8
151.04036	0.8
152.01138	2.9
153.01935	100.0
154.02739	10.5
155.03535	1.7
161.02452	9.7
165.01956	1.5
166.02715	0.9
167.03510	8.5
168.04274	48.9
169.01376	1.5
169.05060	45.0
170.05409	1.4
177.01889	0.7
179.03500	5.5
181.01408	0.7
191.05681	3.3
221.04527	1.3
261.00500	0.8
281.06677	2.4
299.07550	1.1
299.98886	0.8
300.99854	3.2
302.00250	1.1
303.00470	0.7
313.09323	3.1
331.10339	1.4
341.08926	1.4
373.11386	59.6
374.11749	4.0
481.05585	1.0
503.14102	8.9
665.19202	1.4
665.87231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	1.3
59.01381	14.1
69.17860	9.4
69.18264	2.9
70.41228	1.1
70.82065	1.3
71.01380	19.0
72.99306	1.5
75.00864	2.5
83.01369	1.9
85.02975	2.0
87.00877	46.3
99.00844	1.3
100.55147	1.1
101.02439	1.8
111.00945	1.3
112.98822	1.3
115.00372	61.7
119.04977	1.1
122.06112	2.3
125.02439	1.8
127.00342	4.0
135.02982	4.7
135.04535	9.4
139.00351	1.8
143.67291	1.3
153.10234	1.2
157.01311	1.3
161.02411	13.9
163.04068	1.6
165.01988	2.2
165.05376	1.2
169.01370	1.4
175.02472	100.0
176.02849	2.3
179.03499	10.6
180.04156	2.6
184.63016	1.2
191.05746	1.2
195.06601	7.1
226.12286	3.7
239.08304	2.8
239.11855	1.3
240.09065	1.6
251.08165	2.2
252.08923	1.6
252.10161	1.4
253.09781	2.8
265.06146	1.7
267.11246	5.7
269.12888	14.0
270.98795	1.1
279.07773	3.7
280.08505	14.2
295.10864	42.7
296.11133	3.5
299.10635	1.4
300.99814	1.8
313.11945	8.9
318.22110	1.4
321.08710	2.6
323.07626	3.5
325.12073	1.9
327.13513	13.4
339.09900	8.9
340.09714	1.9
353.11383	3.0
371.12411	28.5
389.13391	5.5
445.16702	2.3
447.13831	1.5
457.12445	21.0
485.76865	1.7
489.15134	56.9
490.15332	5.6
503.11676	6.3
515.13306	1.8
517.13495	1.4
547.15387	4.4
585.13818	1.3
615.14166	1.7
633.14886	1.5
665.19080	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	663.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57961	0.9
58.44542	0.8
59.01381	17.6
61.98818	4.2
71.01376	4.0
71.08154	0.8
71.30237	2.1
72.99298	1.0
73.02940	1.1
83.01389	1.2
85.02939	3.5
86.00102	3.0
101.02442	7.4
131.03497	7.5
145.02945	1.4
189.92039	0.9
282.63251	0.9
430.21933	1.0
468.83582	1.0
501.32022	1.4
586.33264	1.2
603.38989	100.0
604.39258	10.9
663.35944	1.5
679.51971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44559	0.2
59.01373	0.8
61.98832	100.0
69.60480	0.2
71.01406	0.3
78.28766	0.2
78.95876	0.2
124.08408	0.2
137.02458	0.5
159.34535	0.3
358.59476	0.2
466.57330	0.3
470.33945	0.6
476.14752	0.3
628.21649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3749
Annotation	Paradrymonoside
Peak:m/z	Relative Intensity
50.73231	0.4
57.11366	0.5
57.76221	0.4
58.61920	0.4
59.01375	13.7
61.98822	6.2
71.01378	4.9
71.05013	1.6
73.02962	0.6
78.95886	0.5
83.01362	0.6
85.02952	1.6
87.00874	0.7
88.59779	0.4
89.02433	6.2
96.95952	0.6
98.20841	0.9
101.02447	2.6
104.61301	0.5
113.02427	2.9
119.03479	2.1
125.02479	0.7
131.03558	0.8
135.08145	0.8
143.03423	0.9
143.10757	1.4
145.02917	0.8
160.84239	1.6
161.02441	1.5
161.04564	0.9
162.83910	1.2
179.05568	1.7
201.99854	0.5
229.74899	0.6
261.12332	0.6
273.08682	0.5
309.99509	0.6
367.26419	0.7
377.28171	0.6
395.29886	0.7
409.30951	1.1
421.31149	1.9
437.30237	3.4
439.32932	2.3
455.31570	5.1
456.32138	0.7
465.30020	5.7
483.31107	100.0
484.31552	10.5
499.30072	0.5
501.32251	31.2
502.32516	3.2
543.33453	3.3
573.34521	0.6
628.19342	0.7
663.35376	1.7
664.15778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.39
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
61.39620	0.2
61.98826	0.8
68.49411	0.2
70.67188	0.2
71.01399	0.3
71.05009	0.3
78.95894	0.3
95.05028	0.7
105.03460	3.3
107.87635	0.2
117.03468	0.4
119.05058	0.5
123.04609	0.4
132.02173	7.6
133.02954	19.3
134.03749	9.0
136.01680	0.4
137.02426	0.6
145.02911	0.3
147.04521	0.8
149.06053	2.2
160.01656	36.3
161.02197	1.5
167.77678	0.2
173.88498	0.2
175.03995	36.4
176.04350	1.4
177.01930	3.7
178.02618	0.5
185.94672	0.3
188.05267	0.2
192.04271	0.4
193.05035	7.9
194.05475	0.3
211.49863	0.3
469.32980	0.5
471.34949	0.4
505.29810	0.3
521.17017	0.3
531.31152	0.2
589.35437	0.3
604.37683	0.9
617.48102	0.3
619.40448	1.6
645.38159	1.8
646.38800	0.5
648.36597	2.4
663.38977	100.0
664.39313	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	663.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85450	1.3
56.29335	1.3
59.01384	6.4
60.48054	1.3
61.98825	11.4
71.01373	1.5
71.04966	1.5
71.10969	2.5
78.95930	1.7
82.35872	1.0
82.70253	1.4
85.39137	1.1
89.02433	1.8
90.26828	1.1
90.52689	1.2
93.03485	1.3
95.05028	1.2
115.31915	1.1
125.02389	1.4
132.02199	6.9
133.02953	12.9
134.03748	8.5
147.04555	1.3
149.06058	5.5
160.01660	42.2
161.02383	2.5
164.16830	1.1
173.69997	1.1
175.03989	46.3
177.01840	1.2
264.92709	1.2
300.99915	1.6
370.88364	1.2
377.98328	1.2
406.58179	1.2
469.33307	2.5
483.31033	1.9
551.19360	1.4
578.27600	1.3
588.90137	1.3
604.27008	1.3
623.64081	1.3
627.20862	3.8
663.39032	100.0
664.39453	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	663.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37326	1.2
59.01377	39.5
61.98799	1.2
69.29094	2.9
69.29507	8.6
71.01379	1.5
89.02442	1.5
98.20671	2.0
99.08155	15.0
101.02412	1.6
116.92831	1.7
125.02412	1.6
127.07642	11.7
133.02943	1.8
145.02997	2.5
145.08705	100.0
146.09029	2.5
161.02434	6.6
186.21213	1.3
187.09749	47.3
190.07452	1.1
226.99107	1.2
255.02971	2.8
284.03195	2.7
285.03998	2.5
314.46759	1.2
354.25482	1.3
355.10339	6.3
431.09662	4.2
514.67126	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	663.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10423	0.4
54.33339	0.3
57.03448	0.7
59.01371	1.1
60.99303	0.9
67.01891	3.0
69.03461	0.5
69.55716	2.4
71.01364	1.0
71.02628	0.3
71.47590	0.4
72.99287	0.4
73.02927	0.6
78.98393	0.3
79.65512	0.4
81.03485	0.7
83.01363	0.4
83.04996	0.4
83.82048	0.4
85.02951	4.5
87.00866	5.5
88.81818	0.4
93.03458	19.3
99.00865	0.7
99.04556	0.5
101.78185	0.3
109.02969	0.5
111.04529	2.8
119.05028	6.0
123.00921	0.4
125.02429	0.9
127.04005	1.0
129.01933	0.6
135.04530	0.7
137.02440	0.5
143.03468	0.4
145.02921	1.0
155.03494	0.8
161.02324	0.4
163.04001	6.4
169.01358	0.6
171.02962	0.5
173.04532	7.2
191.05602	100.0
192.05969	2.7
218.79987	0.4
228.55478	0.3
282.05145	0.4
300.99725	0.8
333.32797	0.3
337.09259	32.4
338.09665	2.1
613.04474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67979	0.8
59.01367	2.5
70.89453	1.7
71.01353	1.7
85.02956	7.6
87.00854	2.0
93.03434	5.9
93.90654	0.8
96.95976	1.4
101.03917	0.9
111.04487	0.8
113.02444	1.1
118.81757	0.9
119.05025	25.3
120.05370	1.2
123.62898	0.9
125.02435	2.3
127.04002	2.0
133.02986	1.0
134.03709	1.1
135.04497	1.6
137.02423	1.1
145.02934	1.1
155.44774	0.8
161.02412	3.7
163.04012	3.5
169.01416	2.4
173.04524	1.8
175.02493	1.0
183.21564	0.7
191.05608	100.0
192.05923	2.4
219.52013	0.8
228.29620	0.9
237.96056	0.8
266.73245	0.8
274.23563	0.8
300.99969	1.2
323.07440	1.0
325.09244	6.8
337.05310	1.6
337.09277	21.5
338.09711	1.9
511.41324	0.8
545.12708	2.2
663.18726	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	663.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74505	0.5
59.01375	1.6
60.77145	0.5
61.98821	0.9
65.00300	0.8
65.62611	0.5
69.44156	1.4
69.44584	2.9
71.01377	1.9
73.94176	0.5
89.02431	0.8
92.62978	0.6
95.01392	1.0
97.02927	0.9
97.21644	0.6
101.02409	0.8
105.96324	0.5
121.27325	0.5
123.00890	1.3
125.02470	1.0
137.02458	0.8
145.02937	0.9
147.04526	0.9
151.04057	0.6
153.01921	1.9
157.02969	0.7
159.04517	1.1
161.02422	1.9
163.03973	1.3
164.10155	0.6
169.01485	0.8
170.27013	0.6
173.02425	2.2
175.02583	1.1
175.03998	2.8
177.01906	1.0
181.01407	0.9
183.02940	1.3
185.02432	2.5
187.03876	0.8
189.01888	1.4
190.02635	1.3
191.03442	3.2
191.05438	1.4
200.01146	0.8
201.01894	5.4
203.03505	6.3
213.01924	1.9
216.00555	1.0
217.01392	2.3
218.02173	0.6
219.02994	1.8
229.01376	10.8
230.02016	0.7
231.03006	4.8
233.00900	0.6
235.02383	1.1
242.99399	0.7
245.00926	4.1
247.02347	3.4
249.04057	3.5
254.99379	0.6
257.00891	7.7
258.01532	2.9
259.02298	0.9
270.98828	4.0
271.02106	1.2
273.00397	4.2
274.01172	3.3
275.01947	40.8
275.28302	0.7
276.02356	1.6
283.99664	1.8
285.00476	1.3
289.07031	1.0
291.01511	0.7
298.98294	6.6
299.01923	2.0
299.99115	7.5
300.02213	1.0
300.99869	100.0
302.00284	4.2
419.02353	0.7
421.04218	3.5
435.05914	0.8
450.99359	1.1
451.05209	2.4
451.44583	0.7
461.03528	0.9
479.04669	14.2
480.05389	8.4
481.06186	91.7
482.06363	5.1
483.01959	1.9
532.09192	0.6
625.14288	3.3
631.05939	0.6
663.08154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94576	0.3
58.68581	0.3
58.79584	0.3
59.01381	0.5
61.98830	100.0
69.16755	0.2
69.17085	3.0
71.01382	0.3
75.00883	0.4
98.19854	0.5
101.73875	0.3
117.95856	0.2
130.25781	0.2
143.37341	0.3
169.01408	0.6
216.82147	0.3
258.79379	0.3
281.71460	0.3
285.03952	0.4
439.55981	0.3
510.20316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39977	0.2
50.68803	0.2
61.98829	100.0
63.55197	0.2
69.97175	0.2
84.74243	0.2
91.05574	0.2
101.28341	0.2
107.83365	0.2
112.98580	0.4
115.69936	0.2
115.77127	0.3
125.02478	0.3
163.70831	0.3
169.01437	0.5
236.30707	0.3
285.03931	0.3
346.34167	0.2
467.13284	0.3
498.43109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01525	0.6
68.19769	0.7
69.84415	2.2
69.84834	1.1
71.01375	1.5
73.41886	0.6
77.62932	0.6
84.56500	0.6
85.02979	0.6
88.61262	0.6
95.01440	0.6
97.02962	1.3
117.03430	0.7
123.00885	1.5
125.02426	1.0
136.17700	0.6
137.02463	0.8
145.02945	1.3
147.04527	1.0
153.01906	1.0
157.02936	1.1
159.04506	0.7
161.02469	1.6
163.04013	1.1
169.01414	0.8
173.02435	1.7
175.04030	2.4
181.01508	0.7
183.03047	0.9
185.02386	3.5
189.01938	1.4
190.02699	0.9
190.99850	0.8
191.03496	2.5
191.05386	0.8
200.01108	0.8
201.01971	3.7
203.03468	5.1
213.01892	1.3
217.01382	1.9
218.02115	0.7
219.02994	1.3
226.99892	0.7
228.00491	0.8
229.01373	8.8
230.02122	1.0
231.03015	4.5
233.00984	0.7
237.09093	0.7
242.99246	0.9
245.00906	3.9
247.02344	3.2
249.03999	2.9
257.00858	8.9
258.01590	1.9
259.02390	0.9
261.00436	0.7
270.98837	4.0
273.00485	3.8
274.01160	2.9
275.01968	35.8
276.02316	1.3
283.99646	2.7
285.00494	0.9
298.98257	5.9
299.99063	8.4
300.99875	100.0
302.00168	4.2
391.03177	0.7
421.04065	3.2
448.76944	0.8
450.99423	1.4
451.05374	1.6
461.03397	1.0
463.04926	0.9
479.04593	13.8
480.05365	8.2
481.06183	84.5
482.06570	6.1
483.01871	2.5
540.19739	0.8
663.08746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.6
69.31523	4.1
69.31942	5.3
71.01383	4.6
83.01395	1.5
85.02940	1.4
87.00890	1.2
97.02962	1.1
101.02470	1.9
107.01401	6.0
113.02532	1.4
123.00887	8.2
124.81535	1.1
125.02450	43.1
139.00388	3.2
151.00346	9.1
161.02394	1.3
161.47856	1.1
162.45393	1.1
168.00642	2.0
169.01422	68.8
170.01738	1.8
170.59825	1.0
172.57828	1.0
211.02486	2.1
227.03464	6.9
241.03522	3.7
255.02940	12.8
256.03677	1.3
272.27383	1.1
284.03271	22.5
285.03973	18.3
291.51648	1.3
313.05640	12.4
447.09384	2.1
599.10388	100.0
600.10669	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	662.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89571	0.4
61.98848	0.5
63.02392	1.5
65.00313	0.5
71.01398	0.9
76.51439	0.5
76.92506	0.4
83.01378	1.4
91.01938	0.6
93.03454	1.5
107.01402	3.0
109.02937	0.6
109.45276	0.4
113.02414	0.5
117.03450	0.5
123.00892	1.2
125.02490	2.3
135.00818	0.6
136.52658	0.5
137.02364	0.4
140.01151	0.6
143.05035	1.0
151.00359	7.5
157.06569	0.7
159.04503	0.7
163.00354	1.2
164.01189	0.6
167.05045	0.6
168.00664	0.6
169.01443	3.3
169.06548	0.9
185.06091	1.6
187.04001	2.4
189.05574	1.1
191.05757	0.5
195.04536	0.8
199.03957	0.6
201.05617	0.6
211.04112	1.0
213.05640	2.2
227.03415	1.2
229.05011	8.4
229.37758	0.6
236.96220	0.5
239.03445	0.7
240.04192	0.5
241.05113	1.3
255.03125	0.6
256.03680	0.7
257.04523	6.0
285.04037	100.0
286.04337	5.9
313.05655	14.9
314.06079	0.5
409.73370	0.5
599.10400	7.4
600.10895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
61.98841	1.5
71.01386	4.3
71.71757	1.4
85.02968	2.0
90.59023	1.3
107.01378	7.4
111.00947	1.2
113.25435	1.1
123.00878	3.8
124.01618	1.2
125.02445	36.6
130.03358	1.1
139.00372	1.8
151.00383	7.2
161.02419	2.1
168.00600	1.2
169.01414	56.8
170.01866	1.2
191.05576	1.7
192.20476	1.3
211.02426	1.2
211.04213	1.3
227.03584	7.7
229.05064	2.1
229.52541	1.7
241.03535	3.3
255.03020	17.1
256.03751	1.9
257.04547	2.2
284.03290	24.2
285.04013	20.6
313.05698	13.5
344.10083	1.3
447.09433	1.6
539.80829	1.2
599.10388	100.0
600.10681	12.8
604.99658	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	661.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82510	5.2
59.01378	100.0
61.98832	26.0
66.47938	4.9
71.01389	47.9
71.53030	10.2
76.65643	4.9
78.04871	5.0
78.95908	21.0
84.09370	4.7
85.02911	5.6
87.00871	11.7
89.02445	50.4
93.03477	6.1
101.02445	28.7
113.02460	18.0
119.03519	22.9
125.02432	8.3
131.03481	5.5
143.03491	8.1
152.99590	8.3
171.10159	6.2
179.05630	19.2
225.47046	5.8
227.03566	5.5
247.67575	4.9
277.21692	99.2
278.22125	8.4
284.03128	6.1
323.09769	27.2
341.10880	55.7
601.32050	13.4
621.65198	5.8
661.36084	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	661.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43421	1.7
55.01865	3.0
57.03426	3.9
59.01382	20.6
61.98578	1.9
61.98830	19.4
68.99825	2.7
71.01014	2.5
71.01382	43.7
72.99307	4.1
73.02932	3.8
75.98624	1.9
78.95900	2.2
79.52203	1.9
83.01382	12.3
85.02939	5.7
87.00868	7.7
89.02472	2.0
91.97038	1.9
99.00870	21.6
101.02436	2.1
104.56404	2.2
111.00877	15.6
112.98810	71.8
113.99097	2.4
115.00352	9.5
121.73118	2.1
124.98801	8.0
127.00338	2.3
129.01918	4.3
133.02953	2.8
142.99857	96.0
143.10713	2.5
145.01454	11.1
161.02361	3.9
171.10239	3.0
173.00908	100.0
175.02492	4.6
211.13321	3.4
449.99234	2.0
469.32703	3.0
487.34210	19.7
499.30557	2.7
601.33606	15.8
641.35950	2.0
661.34216	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	661.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01380	1.1
60.35052	0.6
60.99304	0.9
67.01895	3.9
69.03460	1.0
69.59641	4.1
71.01370	1.8
81.03455	0.8
85.02956	4.4
87.00872	8.5
91.82350	0.6
93.03457	25.2
99.00870	1.0
101.02434	0.9
109.02961	1.3
111.04520	3.7
113.02422	1.3
118.67746	0.6
119.05025	25.0
120.05374	0.7
125.02467	1.5
127.04018	1.1
129.01910	0.8
129.09435	0.7
130.17990	0.7
132.02161	1.0
133.02959	16.4
134.03745	0.8
135.04529	15.6
137.02437	1.9
145.02954	1.6
145.54810	0.6
147.02992	0.6
149.06081	1.6
155.03433	1.3
161.02437	59.8
162.02763	1.9
163.04010	15.2
169.01340	1.2
173.04521	4.7
177.05525	3.0
179.03490	13.4
191.05602	37.9
192.05943	0.8
203.03423	2.2
203.05154	0.7
221.04576	5.7
263.05420	0.8
280.05902	0.9
323.04108	1.1
323.07706	17.1
324.07990	1.0
339.44891	0.7
487.12408	8.6
509.06104	0.7
595.69592	0.6
661.17688	100.0
662.18079	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	659.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98838	4.8
65.46307	0.7
67.10668	0.6
71.51844	0.7
71.52380	0.9
78.95921	3.1
86.87701	0.8
88.91338	0.7
98.12457	0.8
99.74348	0.7
99.77039	0.8
106.72967	0.8
109.97614	0.8
118.97223	0.8
128.89946	0.7
148.68082	0.8
152.99530	0.9
261.95477	0.8
506.86768	0.9
587.88562	0.8
595.11804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00131	1.9
59.01369	6.7
61.98821	5.1
62.85190	1.7
67.01882	5.2
68.99802	6.4
71.01381	8.6
71.52713	3.1
75.00855	2.3
79.48289	1.6
83.01398	2.2
85.02947	3.2
87.00875	5.8
89.34521	1.9
93.03457	19.6
95.01397	3.4
96.96059	3.8
99.00874	5.6
101.02448	3.3
109.02975	8.9
110.00112	5.3
111.00887	4.5
111.04498	3.6
113.02468	2.6
113.26824	2.1
115.00397	3.2
119.05058	6.2
121.02932	4.0
123.00844	4.3
124.01707	2.2
125.02446	13.5
133.02960	27.3
134.03648	2.3
135.04524	36.3
136.98819	4.1
137.02443	7.7
137.99590	3.9
139.00374	15.6
145.02956	5.5
148.93134	1.8
149.06093	7.3
149.42357	1.8
151.00316	3.7
152.01140	2.7
153.01962	2.3
159.04503	10.3
161.02446	100.0
161.06073	12.2
162.02820	2.3
163.04010	9.5
165.01945	9.1
168.00589	2.6
169.01425	16.0
173.04590	10.1
174.03183	4.2
175.02618	2.7
175.03951	11.1
177.01921	10.2
177.05508	5.8
179.03525	22.7
185.06094	2.2
187.04044	11.5
188.04822	11.0
189.05586	6.2
191.03650	3.6
191.05621	30.3
191.70525	2.2
201.05591	4.2
203.03487	5.5
203.07138	8.6
205.05031	5.0
206.02229	2.0
213.05536	4.0
215.03513	2.7
219.02963	6.4
221.04524	4.5
227.03464	3.0
229.05151	3.9
231.02936	12.4
231.06572	20.7
233.04471	12.5
247.06122	3.1
255.03146	4.4
257.00836	3.3
257.04553	8.2
259.02490	28.7
274.04776	2.2
275.05630	9.6
277.03485	3.0
281.31656	1.9
284.03284	5.2
285.03992	7.2
300.99948	2.2
301.03445	3.9
313.05618	4.9
315.01489	2.3
323.07693	21.0
381.08057	2.2
437.10876	3.5
481.10223	4.7
487.12329	4.2
499.14673	23.6
543.11340	3.6
557.13135	3.1
581.13861	3.4
599.10236	18.5
601.11761	11.4
631.12415	3.3
643.13019	100.0
644.13391	10.7
661.17114	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	659.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32993	1.3
54.98982	1.4
59.01370	2.9
61.98837	1.7
68.99799	1.4
69.03456	1.6
70.63755	1.2
71.01378	4.5
78.10892	1.8
81.03440	1.8
85.02956	2.2
94.70953	1.4
95.01410	4.4
97.02945	2.1
100.91965	1.3
101.02431	2.5
107.01393	9.8
110.03291	1.4
111.00884	3.0
113.02435	2.4
121.77594	1.4
123.00887	12.2
124.01636	3.5
124.64350	1.4
125.02447	79.1
127.00407	2.1
133.02953	1.7
134.03731	10.2
135.04443	2.2
136.98784	1.6
137.02403	1.8
139.00342	5.7
140.01126	4.4
145.02953	2.2
146.87616	1.5
151.00349	9.1
153.01915	1.6
160.01649	11.6
161.02432	13.1
164.18611	1.4
165.02034	2.5
166.99821	2.5
168.00650	15.6
169.01418	100.0
170.01709	3.0
175.03970	8.9
183.03030	2.8
193.01442	3.0
193.05104	4.8
202.02666	4.3
211.02466	28.0
217.04932	3.0
229.33162	1.7
238.93912	1.5
271.04544	17.0
295.04608	8.0
300.71817	1.3
312.10428	1.5
313.05649	32.0
315.46112	1.2
345.18661	1.5
465.06738	68.7
466.06863	5.1
475.08939	2.4
489.10355	23.7
490.10995	2.1
507.11490	9.7
659.12488	77.1
659.21735	3.8
660.12476	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	659.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57294	0.8
57.03444	1.8
59.01376	9.7
61.98825	10.4
69.03429	1.1
69.29472	8.5
71.01385	7.1
71.05012	1.3
71.17560	1.2
72.99296	1.1
73.02944	3.7
75.00896	1.8
80.02678	0.9
81.03462	2.1
83.01366	1.5
83.05030	7.0
85.02951	2.5
87.00858	1.5
89.02435	4.1
95.01347	1.0
95.05013	1.2
96.95997	2.3
97.06572	4.2
101.02438	6.8
109.02951	1.3
111.00955	1.0
112.98558	1.4
113.02476	2.1
119.05016	1.8
125.02441	2.3
135.02962	3.1
135.04486	1.7
135.08070	1.0
145.04987	1.2
151.11270	13.6
161.02400	1.5
161.04565	1.8
163.04030	1.2
163.11279	3.6
163.79225	1.0
165.12769	5.5
169.12332	80.3
170.12630	2.5
179.03485	2.0
183.13884	3.3
185.11804	1.0
195.10265	4.1
209.11815	53.9
210.12189	3.0
211.13371	2.2
212.13623	0.9
213.11328	11.1
227.12860	8.8
235.08194	2.3
253.09308	4.6
297.12433	1.7
323.10428	1.2
431.19061	3.3
449.20172	10.1
497.27408	1.4
527.37616	1.6
541.30011	3.8
602.71960	1.3
627.24573	2.2
641.32391	3.0
659.32849	100.0
660.33246	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	658.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
57.06947	0.7
59.01376	2.5
60.99292	1.1
61.98829	74.3
63.02394	1.0
64.58038	0.9
65.00328	10.9
69.16682	9.2
71.01385	1.7
74.48676	0.8
75.00858	1.2
79.67059	1.0
83.01383	4.4
88.98806	3.5
89.02428	1.7
93.03461	2.3
93.15856	0.9
95.01400	0.9
96.96049	1.5
107.01392	19.1
109.02943	2.5
113.02469	1.0
117.03484	1.9
119.04996	1.8
121.02965	1.2
125.02464	9.4
131.01399	0.9
133.02931	3.5
134.03729	2.2
135.04527	54.5
136.04852	2.0
137.02437	3.2
138.92917	0.8
145.02954	8.3
151.00366	100.0
152.00786	2.0
161.02437	10.9
161.06076	1.0
163.03998	1.9
165.01785	0.9
165.05504	1.0
167.03522	1.4
168.03812	1.1
169.01422	4.1
172.84248	0.9
175.00383	5.7
177.01881	2.5
179.03465	1.6
193.01399	1.3
217.01413	1.0
269.04456	1.2
287.05597	63.2
288.05804	4.4
289.06671	0.9
300.99814	1.1
307.08249	11.5
308.08878	1.2
318.09799	1.0
449.10672	1.1
459.09140	2.6
569.25757	4.0
594.17401	1.1
595.14539	53.9
595.27313	4.1
596.14874	5.7
601.33325	1.0
658.19196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	3.2
60.25531	1.1
61.98815	3.4
66.79333	1.0
67.01865	1.0
71.01389	6.7
72.99310	1.1
73.02935	1.6
75.77856	1.0
81.03445	1.7
83.01376	3.8
85.02952	2.8
87.00864	1.5
89.02462	1.7
93.03445	2.6
95.01359	3.6
96.85880	1.0
96.96017	1.1
97.02955	2.0
99.00897	2.3
100.01693	1.3
101.02417	4.1
107.01383	10.6
107.05000	1.0
108.02178	1.8
109.02927	3.9
111.00903	7.3
111.09224	1.1
113.02393	2.3
117.03445	2.6
119.05031	5.8
120.12840	1.1
121.02972	2.3
123.00868	13.2
123.04499	1.7
124.01626	1.1
125.02443	79.6
126.02795	1.4
127.00377	1.7
132.02200	2.7
133.02928	2.6
134.03732	8.4
135.04474	3.1
136.98788	2.1
137.02428	5.7
139.00394	10.7
140.01100	3.9
145.02953	11.7
147.04497	1.2
149.02382	1.6
149.06046	1.4
150.03169	1.2
151.00363	5.9
151.03963	2.1
153.01869	2.3
156.00684	6.5
157.01401	5.0
160.01669	10.1
161.02423	11.1
161.06062	2.3
163.03989	6.2
165.01915	2.2
166.99857	1.1
167.03552	1.0
168.00635	11.7
169.01419	100.0
170.01750	2.9
174.03207	1.9
175.03984	9.4
177.01892	1.5
177.05507	1.9
179.03413	3.5
183.02931	2.9
191.06927	1.1
193.01370	3.4
193.04988	5.9
205.04994	3.0
207.06609	3.9
211.02467	23.2
217.04979	2.2
229.09778	2.6
235.06099	2.8
241.03532	1.6
242.06908	1.1
251.05457	1.3
265.07068	2.6
271.04605	17.8
271.10718	3.4
275.01913	1.6
281.06555	3.4
289.07196	4.5
295.04495	7.2
297.06116	2.1
300.99786	2.4
301.03049	1.4
302.00226	1.9
303.00302	1.6
307.08432	5.8
313.05640	29.5
367.10245	1.5
447.09610	1.2
465.06714	77.0
466.07101	6.5
475.08698	2.0
479.13159	4.8
489.10400	21.2
490.10400	2.0
507.11224	8.9
659.12329	68.5
659.21631	4.9
660.12244	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	657.377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09874	1.5
59.01370	5.3
61.98827	8.4
66.50033	1.1
70.94386	2.8
71.01403	3.3
81.03467	3.3
83.05032	3.9
89.02428	2.0
97.02932	1.5
101.02476	2.5
107.17824	1.2
112.05445	1.4
124.96231	1.3
125.02420	3.1
126.90395	3.0
128.03546	1.6
139.00369	1.7
158.91109	1.7
161.04559	1.4
163.11287	3.7
165.12843	2.4
171.10269	1.5
183.13824	6.0
189.31390	1.3
209.11818	71.4
210.12198	3.6
210.68481	1.3
211.13385	100.0
212.13692	3.7
220.25958	1.5
227.12837	11.2
235.08235	4.0
249.14894	2.6
249.94424	1.4
253.09236	7.1
311.20084	1.5
382.09991	1.4
447.22501	3.1
487.34283	4.0
613.37195	1.7
631.24164	1.4
657.37701	39.8
658.37695	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	657.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.9
61.98835	7.6
71.01376	4.6
81.03446	1.2
83.05020	5.2
85.02967	1.4
87.00848	1.1
89.02440	2.7
95.01345	0.9
98.20585	2.3
101.02415	3.5
109.06516	1.1
112.98533	1.0
113.02421	2.3
119.13632	0.9
121.03010	1.1
125.02383	2.0
131.03456	1.1
161.04387	0.8
163.11278	3.2
165.01878	1.3
165.12822	2.0
171.10213	3.2
179.05728	1.3
181.12381	1.6
183.13902	8.1
193.12192	1.2
194.05661	0.9
199.13376	1.0
209.11833	100.0
210.12166	5.7
211.13393	97.3
212.13756	4.3
224.34192	0.9
227.10748	1.3
227.12874	15.8
228.13094	1.2
235.08134	2.9
249.14937	2.2
253.09315	9.5
403.24948	1.6
409.65738	0.9
445.20557	1.4
447.21979	2.7
454.54846	1.0
557.38495	1.8
557.48486	1.0
619.38763	1.1
639.32684	1.6
657.37885	18.8
658.37970	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	658.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
59.01365	3.1
61.23227	0.9
61.98828	97.7
63.02402	1.0
64.56597	0.9
65.00320	11.3
69.37070	0.8
71.01376	2.6
73.65420	0.9
78.95893	1.1
81.65105	0.9
83.01373	5.9
88.98802	4.3
91.51550	1.1
93.03478	3.1
96.95982	2.0
97.47462	0.9
101.02427	1.5
105.80618	1.0
107.01392	19.4
108.02198	1.4
109.02944	3.2
113.02382	1.0
115.86507	1.1
117.03432	1.9
119.04983	1.6
121.02879	1.5
123.00918	1.0
123.04537	1.0
125.02438	11.4
133.02937	3.2
135.04523	62.2
136.04834	1.4
137.02408	3.9
145.02931	9.2
151.00362	100.0
152.00848	2.0
161.02464	12.4
163.04019	1.8
165.01918	1.4
165.05467	1.4
165.12762	1.2
167.03535	2.3
169.01382	3.6
174.48686	1.0
175.00349	5.9
177.01912	1.6
193.01283	1.4
209.11835	1.6
230.87978	1.0
271.06070	1.2
287.05603	73.6
288.06015	2.8
307.08160	13.1
311.23175	1.1
363.53348	1.1
459.09326	1.7
569.26007	3.6
595.14532	60.4
595.27307	5.2
596.14807	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	657.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22387	0.3
57.03444	0.4
59.01376	3.6
61.98826	3.1
69.03460	0.7
69.93366	1.0
71.01374	2.7
73.02944	0.5
80.02662	0.7
81.03457	1.2
83.01379	0.4
83.05029	3.7
84.02201	0.3
85.02960	0.6
87.00885	0.7
89.02448	2.5
95.05042	0.6
97.02982	0.4
98.77472	0.4
101.02454	3.0
109.02933	0.4
110.89936	0.4
113.02459	1.6
119.03538	0.7
120.00115	0.4
121.02932	0.4
125.02428	0.8
135.08162	0.5
161.02322	0.4
161.04576	1.3
162.06992	0.3
163.11292	3.0
165.12816	2.4
167.14403	0.5
171.10294	1.6
181.12381	0.6
183.13892	6.5
191.10809	0.7
193.12401	1.8
193.14030	0.4
199.13330	0.5
209.11816	92.9
210.12151	3.9
211.13383	100.0
212.13687	4.3
227.12872	13.7
228.13235	0.7
235.08229	2.7
249.14992	1.3
253.09274	10.0
280.07123	0.4
385.23669	0.5
421.25900	0.5
429.21234	0.6
445.20871	1.2
447.22339	3.3
463.21213	0.4
475.44955	0.4
619.38220	1.1
621.32831	1.0
639.34369	1.0
657.24847	0.4
657.35590	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	657.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.98829	1.6
65.03960	0.3
69.32372	0.9
69.32786	0.8
71.01375	0.5
74.70541	0.2
78.95905	0.6
83.05000	0.2
85.02950	0.3
89.02467	0.2
93.03458	44.6
94.03782	1.2
100.76440	0.2
101.02443	0.3
109.02940	0.5
109.55859	0.2
121.02879	0.2
125.02449	0.6
134.06097	0.8
137.02443	100.0
138.02794	2.3
139.04015	0.4
152.99608	0.2
153.01956	0.7
161.02477	0.6
163.11308	0.3
169.01456	0.3
180.63678	0.2
183.13997	0.2
209.11833	2.8
210.12151	0.9
211.13510	1.4
227.12993	0.3
253.09369	0.3
277.95700	0.2
283.10822	0.5
285.12540	0.4
357.26700	0.2
373.25482	0.5
375.27518	2.9
376.27902	0.3
473.18661	0.2
495.33252	0.4
593.27148	0.3
642.62604	0.2
657.35492	4.8
658.36493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01373	4.2
61.98826	4.6
68.99567	1.3
69.03470	0.5
69.38489	0.4
70.67564	1.2
71.01372	3.5
71.46613	0.4
73.02940	0.6
80.02673	1.2
81.03448	1.1
83.01390	0.5
83.05013	4.1
84.02161	1.0
85.02941	0.5
85.22906	0.4
86.16413	0.4
86.38802	0.4
87.00898	0.8
89.02447	2.1
92.02483	0.4
93.03458	0.4
95.01357	0.4
95.10717	0.4
101.02432	3.3
107.33543	0.5
112.98579	0.7
113.02427	1.6
119.03498	0.7
121.02940	0.4
122.06063	0.4
125.02418	1.0
125.06041	0.6
135.08139	0.5
136.07666	1.4
143.03470	0.6
161.04594	0.7
161.23410	0.5
163.11267	3.4
165.12810	2.2
167.14395	0.7
169.01346	0.5
171.10231	1.3
183.13905	5.9
191.10802	1.2
193.12357	1.2
209.11807	100.0
210.12181	4.5
211.13374	91.4
212.13770	4.0
227.12859	14.4
228.13199	0.9
232.39856	0.5
235.08192	3.2
249.14989	1.3
253.09268	9.7
255.02846	0.5
255.40527	0.4
263.01340	0.5
270.46313	0.4
285.04163	0.7
384.87155	0.4
403.24637	0.7
421.25983	0.5
445.20868	1.0
447.22156	3.2
502.19565	0.7
537.48523	0.4
595.31293	0.7
619.38654	0.7
621.32343	1.2
625.26440	0.9
639.33820	0.8
657.24072	0.5
657.37830	3.3
687.13953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50415	0.3
59.01379	3.0
59.75567	0.3
61.98824	2.8
66.08006	0.3
66.71860	0.4
71.01385	2.5
71.52927	0.4
73.02930	0.7
80.02675	0.6
81.03434	0.5
83.01398	0.6
83.05035	3.9
84.02161	0.7
85.02956	0.8
87.00895	0.5
88.98757	0.4
89.02431	2.2
93.03441	0.5
95.05036	0.6
96.70164	0.4
97.06544	0.4
99.00881	0.4
101.02453	2.9
109.02980	0.4
113.02432	1.0
119.03510	0.6
121.09818	0.4
125.02433	0.7
161.04573	1.1
163.11308	3.2
165.12845	2.1
167.14336	0.7
171.10277	1.3
179.05632	0.5
181.12308	0.5
183.12398	0.7
183.13895	7.1
184.14272	0.4
191.10826	0.8
193.12350	1.4
209.11829	76.1
210.12178	3.7
211.13391	100.0
212.13719	3.8
227.12889	10.9
228.13156	0.6
235.08261	2.7
249.15009	1.1
253.09309	7.7
288.21371	0.4
403.24847	0.7
403.34912	0.4
445.20886	1.0
447.22433	4.2
448.22726	0.5
540.62970	0.5
619.38617	1.4
621.32483	0.8
639.34540	0.4
657.25867	0.3
657.37451	2.8
660.44867	0.4
662.04248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40550	0.3
54.39429	0.3
56.07022	0.3
59.01370	1.7
61.98832	6.9
63.02391	0.6
65.00317	1.0
71.01385	1.3
83.01389	0.7
83.05019	0.9
85.02910	0.7
93.03465	2.3
95.01390	0.5
96.96019	0.6
98.20673	0.6
101.02475	0.8
107.01375	1.9
109.02964	0.7
113.02433	0.8
117.03493	0.5
119.01392	0.4
121.02944	1.0
122.06084	0.3
125.02456	1.1
131.03488	0.4
132.02205	0.3
135.00883	0.8
136.25420	0.3
137.02434	1.2
143.05049	0.8
145.02948	0.5
151.00352	3.1
153.01982	0.8
157.06525	0.5
159.04529	1.4
160.02986	0.4
163.00383	2.1
163.11287	0.6
164.01212	0.7
165.01941	1.0
165.12830	1.4
167.05066	0.6
169.01431	1.2
169.06560	0.5
171.04494	0.6
171.10254	0.4
173.06070	0.5
177.09016	0.4
181.12430	0.3
183.04521	0.6
183.13873	1.3
185.06117	1.9
187.03992	2.2
189.05594	1.5
195.04486	0.4
197.06134	0.7
209.11816	13.8
210.12149	1.8
211.04077	1.8
211.13423	9.6
213.05568	2.0
227.03499	14.8
227.05753	0.7
227.12923	3.7
228.03937	0.7
229.05045	8.7
239.03426	1.3
240.04297	1.0
241.05064	1.5
251.12952	0.7
253.09267	1.3
255.02980	23.9
256.03568	3.5
257.04523	5.8
267.03049	0.5
268.03748	0.4
284.03247	18.5
285.04028	100.0
286.04395	4.8
293.13956	2.1
345.01566	0.4
371.17041	1.3
406.67358	0.4
418.64484	0.4
447.09216	3.0
494.25201	0.5
500.72522	0.4
581.23920	0.5
621.39886	0.4
639.44067	0.4
657.21893	19.5
657.34723	1.9
658.21906	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	656.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58519	0.3
59.01377	0.4
61.30787	0.2
61.98830	100.0
62.51907	0.2
69.29719	0.6
69.30125	1.6
70.68315	0.2
73.58613	0.2
82.25195	0.2
82.41211	0.2
89.02480	0.3
92.99750	0.3
114.60831	0.2
122.22655	0.3
125.02489	0.4
138.51334	0.3
169.01349	0.5
217.59541	0.3
227.03612	0.3
227.67862	0.3
255.03030	3.1
283.02490	7.4
284.03189	0.7
285.04044	13.7
286.04422	0.5
315.74969	0.3
322.13950	0.3
327.05307	0.3
401.24188	0.3
431.09695	1.3
446.08832	0.9
447.09399	2.2
593.15094	12.3
594.15619	1.2
619.94983	0.3
648.42883	0.3
656.26642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40769	1.1
58.86211	1.2
59.01356	1.4
61.92902	1.2
61.98539	1.4
61.98832	19.8
88.98804	1.6
90.53874	1.1
107.01351	1.3
135.00833	1.4
135.78009	1.1
148.91174	1.2
151.00346	1.7
161.02489	1.4
185.06033	1.9
187.04063	1.4
227.03497	15.9
229.05067	8.3
241.05058	1.5
255.02979	29.7
256.03613	3.6
257.04507	3.9
284.03244	47.7
285.04019	58.6
286.04291	3.5
378.08914	1.3
520.75336	1.3
539.35529	1.2
580.68597	1.3
593.15082	100.0
594.15369	10.8
669.86462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.2
61.98825	7.2
65.00344	0.5
71.01403	2.3
71.52952	0.9
74.99088	0.6
85.02987	0.7
88.98827	2.4
89.02457	1.0
93.03473	4.4
95.01394	1.4
96.96008	1.0
99.50134	0.5
101.02462	1.1
107.01423	1.1
109.02993	1.5
111.04561	2.2
116.92879	0.6
117.03509	1.5
119.05025	19.2
121.03015	0.9
123.00883	2.9
125.02430	3.5
131.05038	1.0
132.02180	1.2
133.02997	2.1
134.03778	3.8
135.04550	2.8
137.02478	2.9
145.02919	3.5
147.04504	2.1
149.02470	0.5
149.06148	1.0
151.00415	1.2
151.04048	1.0
153.01945	0.5
155.03520	1.0
157.02989	1.5
159.04562	1.7
160.01674	5.8
161.02460	5.4
162.02866	0.8
163.00317	0.7
163.04021	20.7
166.99843	0.5
169.01447	3.0
169.02792	0.7
173.02473	2.3
174.03125	0.7
175.04010	10.5
177.01964	1.2
177.05556	1.1
178.99907	0.8
179.03494	1.7
185.02434	4.6
187.04048	0.7
189.01961	1.1
190.02682	0.9
191.03503	2.4
191.05595	0.6
193.05025	2.4
201.01950	4.8
202.02708	0.8
203.03493	7.7
211.04143	0.5
213.01851	2.4
214.02843	0.7
217.01529	1.4
219.03014	1.6
221.04578	0.8
228.00624	0.9
229.01419	12.9
229.04948	0.9
230.02058	1.0
231.02956	5.7
243.03017	1.3
245.00906	1.6
247.02510	1.8
249.04053	4.0
255.03061	2.2
257.00925	10.6
257.03748	0.8
257.04684	0.6
258.01636	5.4
271.02441	2.7
273.00366	0.6
274.01221	1.2
275.01959	47.5
276.02139	2.6
281.06577	1.1
283.99622	2.7
284.02527	0.5
285.04117	4.6
286.04364	3.7
299.99149	3.2
300.02768	7.0
300.99887	100.0
302.00256	4.3
319.08359	1.0
323.07709	1.5
337.09247	8.0
425.84869	0.6
477.28113	0.7
501.13950	8.0
502.14389	0.7
505.09448	6.5
538.32831	1.5
539.33289	0.7
594.15216	4.9
656.26263	0.8
657.10815	45.7
658.11194	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	656.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04092	1.0
59.01385	2.2
61.98830	42.7
69.17983	8.4
70.87502	1.2
78.85696	1.1
82.34541	0.9
82.50990	0.9
93.03485	3.2
97.53817	1.2
98.19930	2.5
101.02442	1.0
107.01351	2.5
108.80420	1.2
109.02974	1.0
117.03477	2.8
119.05061	1.6
129.12296	1.3
133.02939	1.0
137.02423	2.6
145.02937	9.5
151.00343	4.7
157.47096	1.1
161.02440	1.2
163.00365	2.0
163.04007	1.9
169.01358	2.1
169.85539	1.2
185.06094	1.2
187.04012	1.6
211.04051	2.2
213.05482	2.3
227.03474	23.6
229.05095	6.4
239.03340	1.2
255.02972	48.1
256.03680	7.5
257.04489	4.0
284.03253	53.5
285.04022	60.9
286.04367	3.7
307.08179	3.1
359.27985	6.5
593.12964	100.0
594.13116	10.8
656.35718	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	656.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41609	0.4
55.72440	0.4
58.95829	0.5
59.01377	2.2
61.98828	100.0
65.00325	0.7
71.01394	1.1
71.05016	0.4
73.02953	0.4
75.00851	0.6
81.45500	0.4
83.01398	0.8
83.05030	0.7
86.05656	0.4
87.12041	0.4
88.98795	0.7
89.02448	0.9
93.03457	3.1
95.05115	0.4
96.96024	0.4
97.02940	1.0
98.19869	1.0
101.02457	0.7
106.18038	0.4
107.01396	2.0
109.02968	0.4
113.02457	0.6
116.92834	0.8
117.03460	1.4
119.05003	0.5
121.02975	0.8
125.02434	7.1
133.02989	0.9
135.03032	0.5
135.04541	1.5
137.02435	3.9
139.04028	4.1
140.04350	0.5
145.02925	3.3
151.00392	3.2
161.02435	2.0
163.04028	0.9
169.01411	9.6
175.03972	0.5
179.03484	0.6
183.02950	0.7
183.34689	0.4
185.06032	0.7
209.11830	10.7
210.12193	1.5
211.13406	0.5
227.03572	0.6
227.12814	0.6
243.03064	0.5
251.05734	0.4
253.09207	0.5
255.03003	0.8
257.04507	0.5
270.01593	0.6
271.02359	0.9
272.02841	0.7
284.03256	1.7
285.04019	66.1
286.04443	3.6
287.05713	0.8
288.05988	0.7
299.01862	1.7
300.02335	1.7
301.03296	0.9
329.21118	0.4
433.37180	0.4
443.09500	0.4
445.07217	0.9
446.07971	1.4
447.08301	0.5
593.12958	19.7
593.26788	1.0
594.13593	2.1
655.33044	0.5
656.18567	0.4
656.30640	1.4
657.21338	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	655.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.3
61.98833	6.7
71.01311	1.7
72.77879	0.6
73.02961	0.7
74.46353	0.6
83.73436	0.7
85.02946	1.4
96.96008	0.8
101.02457	0.8
113.02457	1.1
124.01550	0.7
125.02435	1.0
135.08119	1.5
137.02466	1.0
145.03012	1.0
149.06047	3.1
150.06862	42.2
151.07326	1.1
153.01952	0.6
162.06898	0.9
163.07643	19.6
164.08427	7.5
171.10233	0.6
177.09161	1.7
178.09993	0.9
179.10773	22.3
182.59810	0.6
185.11754	0.7
204.48466	0.7
209.11784	2.3
211.13353	2.0
269.21194	0.7
302.28360	0.6
311.25967	3.7
311.29031	0.6
313.23773	13.4
349.02835	0.7
401.23328	0.7
457.29578	2.1
460.32037	0.8
474.33426	1.4
475.34454	4.2
478.33029	1.9
480.20169	0.7
492.34543	30.6
493.35309	29.8
494.35736	2.6
507.37177	0.9
535.36761	1.1
595.33057	0.8
637.32306	1.2
655.40674	100.0
656.40967	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	656.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59359	1.3
59.65282	1.1
61.98830	56.4
68.55957	1.3
69.99526	5.6
93.03436	1.3
107.01392	1.9
112.76355	1.3
117.03433	1.5
145.02940	9.6
151.00378	3.8
157.06444	1.3
163.03889	1.2
185.06081	2.5
211.03925	2.4
227.03497	24.8
229.05035	6.5
255.02977	36.4
256.03653	3.9
257.04523	4.5
284.03250	54.2
285.04016	56.5
286.04260	3.5
418.76596	1.3
421.72421	1.4
447.09064	1.6
593.12964	100.0
594.13568	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	655.3696
Annotation	Russelioside A
Peak:m/z	Relative Intensity
55.97031	0.9
57.03447	1.0
59.01375	3.4
61.98829	8.6
65.09957	0.9
69.03497	0.8
71.01387	2.0
71.53493	0.9
73.02950	1.1
78.95908	18.1
83.05048	1.8
83.97470	0.8
85.02952	1.3
88.98816	1.4
93.03444	6.1
96.96030	2.4
96.96986	1.8
101.02470	1.3
102.40408	0.9
108.02197	1.2
109.02926	1.1
111.04563	1.8
113.02463	1.1
115.00339	0.8
116.92889	3.3
121.06610	2.6
122.09299	0.8
123.08157	1.4
125.09729	2.0
125.59709	0.9
133.89926	0.8
135.04535	3.3
136.05302	32.4
137.02449	23.9
138.02864	1.1
141.02888	0.8
147.04546	1.5
147.08260	1.0
149.06055	6.0
150.06819	3.9
151.96112	1.0
152.99597	10.8
161.02451	1.6
161.04617	1.1
162.06891	1.7
163.07709	2.1
163.11340	1.3
164.04788	1.0
164.08434	2.5
165.09209	38.0
165.12885	1.5
169.01540	1.6
171.10278	4.5
183.13954	1.0
185.11841	0.9
207.10216	0.9
209.11813	28.9
209.13774	1.5
210.12276	1.0
227.12903	3.9
255.03049	1.8
285.04196	1.2
300.02878	3.3
327.21750	22.4
328.22235	1.9
350.21158	1.3
363.12360	3.2
395.14850	2.2
447.31421	2.5
475.30692	7.5
492.31049	3.2
493.31696	35.3
494.32281	3.2
507.33310	1.1
535.33313	1.0
591.25586	6.6
592.26709	1.9
593.13324	1.9
614.63446	1.0
623.28479	7.2
637.31952	1.7
655.37360	100.0
656.37494	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	655.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
60.06207	0.5
61.98834	3.9
69.03444	0.5
69.31870	1.0
69.32267	3.9
71.01381	1.1
85.02946	1.0
113.02457	0.9
117.03484	0.9
121.03017	0.7
125.02470	0.6
125.75229	0.5
135.08145	1.5
136.05379	0.5
137.02493	0.5
145.02960	2.6
149.06090	4.0
150.06863	66.6
151.07251	1.0
153.01950	0.5
161.09729	1.7
161.27092	0.5
162.06841	0.5
163.07651	10.1
164.08411	13.4
165.08864	0.6
169.01471	0.6
177.09302	0.7
178.09979	1.2
179.10776	32.8
180.11172	1.1
185.11734	0.6
204.31577	0.6
209.11783	2.6
211.13498	1.5
225.11456	1.0
225.78471	0.5
277.48389	0.6
311.26025	1.4
313.23849	18.0
314.24112	0.6
384.63324	0.5
444.05322	0.6
475.34213	7.2
476.34595	0.5
478.32910	3.5
492.34613	9.0
493.35342	36.2
494.35651	3.4
507.37067	1.5
535.36542	1.9
608.05615	0.6
619.38385	0.7
655.40668	100.0
656.40991	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	655.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03447	1.8
59.01380	17.7
60.99315	0.6
61.98826	4.6
63.17593	0.6
71.01377	11.1
71.01730	1.0
71.53522	1.1
72.99310	1.2
73.02947	2.2
75.00874	2.5
80.64476	0.6
83.01386	1.9
85.02966	4.5
87.00885	1.7
88.98811	2.2
89.02435	5.9
94.29193	0.5
95.01407	0.7
99.00884	1.2
101.02451	6.7
101.39263	0.5
108.02184	0.7
111.00878	0.8
113.02464	3.1
119.03513	2.0
119.05006	1.4
123.00917	1.6
124.01654	0.9
125.02452	2.7
133.02954	2.6
135.03030	1.1
135.04524	2.9
137.02448	0.7
145.02882	0.6
157.12334	1.4
158.29504	0.6
160.01642	0.9
161.02457	7.6
163.04079	0.8
163.07619	0.8
167.03458	0.7
169.01445	1.4
169.12259	0.7
175.03990	1.6
177.05550	1.0
179.03441	3.7
185.11882	0.6
193.04929	0.6
215.12875	0.7
219.76685	0.6
221.04594	1.4
222.97198	0.7
223.40034	0.6
239.49765	0.6
251.05580	0.9
281.06665	2.1
287.09222	2.7
297.11987	0.7
311.22260	0.6
317.10260	1.6
329.23257	2.0
337.09256	2.1
341.08658	1.6
347.97977	0.7
357.26410	9.0
373.25800	1.2
375.27490	31.3
376.27847	2.0
475.27365	1.1
503.12000	3.7
504.12250	0.7
519.31860	3.4
529.14978	0.9
537.32751	100.0
538.33124	10.6
655.35388	81.4
656.35620	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	654.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10664	1.2
61.98832	100.0
65.45361	1.2
70.49796	4.9
78.95919	1.9
101.83831	1.4
216.07541	1.4
265.92389	1.4
274.65750	1.6
289.71167	1.5
522.90186	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	654.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34698	0.8
61.98828	100.0
78.95920	1.6
95.22622	1.0
159.46465	0.9
199.09222	1.0
255.23170	1.1
279.09836	1.0
630.75739	1.0
682.50275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
61.98827	100.0
62.81475	0.4
62.96420	0.6
67.71117	0.4
71.37001	0.8
78.95903	48.7
93.06866	0.4
149.00092	2.3
150.00398	0.5
205.15952	0.6
209.11809	0.4
277.21704	0.9
285.12677	1.2
286.12909	1.0
355.16873	0.5
356.16959	1.1
447.13290	1.0
448.14093	1.9
490.91867	0.4
654.30389	31.5
655.30096	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	655.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67717	0.2
59.01366	1.1
60.49214	0.2
61.98830	2.6
65.03961	0.7
69.03468	0.2
69.36785	1.7
71.01392	1.0
73.02962	0.3
81.03439	0.4
82.01317	0.2
83.05025	0.7
85.02911	0.3
86.65020	0.2
87.00879	0.3
88.98814	0.5
89.02449	0.4
93.03459	47.0
94.03796	0.7
95.01403	0.3
97.02928	0.4
101.02465	0.5
102.55730	0.2
107.05018	0.2
108.02183	3.0
109.02939	2.0
109.14301	0.2
113.02465	0.3
116.92901	0.2
121.02965	0.5
123.00877	0.5
123.04601	0.2
125.02436	1.1
125.09704	0.3
135.04559	0.4
137.02444	100.0
138.02777	1.7
141.19249	0.2
151.00356	0.3
151.04128	0.2
152.01164	2.9
153.01982	1.0
161.02417	0.6
161.04546	0.3
163.11288	0.7
169.01421	1.0
171.10289	1.1
180.02531	0.6
191.10826	0.3
195.04851	0.4
207.10301	0.3
209.11816	19.2
210.12146	0.6
211.02339	0.2
211.13370	0.5
225.11449	0.3
227.12871	0.9
235.08293	0.3
237.07706	0.6
253.09279	0.9
285.03864	0.6
357.26529	0.8
359.28812	0.2
373.25943	2.4
401.23474	0.3
417.08206	1.5
445.11899	0.2
445.20151	0.3
514.02734	0.3
579.21918	0.3
637.31812	0.8
655.16180	0.4
655.33344	9.3
656.33624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
61.98832	1.5
65.03951	0.4
69.49641	0.8
69.50053	1.0
71.01376	1.2
73.02944	0.3
80.02682	0.4
81.03455	0.5
83.05021	1.3
85.02945	0.3
87.00902	0.3
89.02467	0.6
93.03456	49.4
94.03790	0.8
95.05027	0.3
101.02439	0.8
109.02959	0.8
109.06572	0.3
113.02428	0.4
125.02434	0.5
125.09737	0.5
135.04471	0.4
137.02443	100.0
138.02791	2.2
152.01149	0.3
153.01915	0.7
161.02377	0.4
161.09824	0.2
163.11304	1.3
165.12830	0.7
171.10205	1.2
185.11891	0.5
191.10861	0.4
209.11815	34.8
210.12144	1.2
211.13377	0.3
227.12875	1.9
235.08270	0.5
253.09253	2.0
373.25894	2.3
374.26257	0.4
401.23618	0.4
419.24756	0.4
445.20612	0.6
472.76361	0.3
542.24170	0.3
637.32593	1.1
655.23297	0.6
655.33301	4.8
656.33612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07400	0.2
54.75673	0.2
59.01379	0.6
59.44922	0.2
61.98829	100.0
71.53503	0.3
78.95963	0.2
89.51968	0.2
89.92564	0.3
137.02612	0.2
157.65999	0.2
209.11829	0.5
241.03833	0.2
248.85471	0.2
379.06586	0.2
455.35303	1.2
471.34888	0.6
487.34540	0.2
653.26477	0.6
653.38409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3911
Annotation	Cilistol i
Peak:m/z	Relative Intensity
57.03443	1.0
59.01374	9.4
61.34300	0.6
61.98837	12.3
71.01380	2.4
71.05017	1.0
75.00871	0.9
78.95894	1.1
85.02956	1.2
88.98806	1.3
89.02456	0.9
93.03458	2.0
101.02464	1.4
106.06757	0.7
113.02446	1.5
116.92878	1.1
117.03444	4.7
119.04996	1.6
121.02995	1.4
125.02485	1.7
135.08163	1.6
137.02432	1.7
139.11380	1.0
145.02960	17.3
149.06076	4.2
150.06859	70.2
151.07111	1.6
161.02399	1.1
161.09772	1.0
163.03957	2.2
163.07625	9.7
163.59929	0.7
164.08417	15.1
165.01926	1.0
169.01389	1.8
176.09836	0.8
177.09267	1.4
178.09956	1.8
179.10770	31.6
180.11142	1.2
191.97925	0.7
205.11960	0.7
209.11810	1.6
255.03052	0.8
309.24377	1.1
311.22284	16.0
312.22424	1.0
473.32599	6.7
476.31519	2.8
490.32999	9.4
491.33762	35.2
492.34259	3.5
505.35303	4.1
526.90100	0.7
533.34656	2.0
593.39325	1.1
653.39270	100.0
654.39722	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	653.172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74573	0.5
59.01385	1.1
59.58127	0.5
62.16766	0.5
69.33141	4.5
71.01363	1.4
75.00879	0.9
85.02938	6.1
87.00871	0.8
93.03461	4.4
96.02351	0.5
119.05009	0.6
125.02460	1.1
127.04021	1.6
133.03006	0.6
135.02982	2.1
135.04501	1.4
137.02426	3.5
137.03336	0.7
153.01990	0.6
154.08376	0.5
161.02464	2.8
163.04022	1.4
173.04533	1.5
179.03479	1.9
191.05603	100.0
192.05931	2.6
200.55560	0.5
255.02945	1.4
256.03293	0.7
271.47028	0.6
281.06393	0.7
283.02478	2.3
284.02808	1.7
285.03641	2.5
286.04465	1.2
287.04596	0.9
300.99905	1.3
353.08749	10.5
354.09195	0.8
371.09271	0.7
433.90543	0.6
448.08990	0.6
491.11447	1.0
505.38989	0.5
653.16754	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	653.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
61.98829	2.0
62.96416	0.7
68.53252	0.3
70.07471	1.4
78.95904	100.0
89.13802	0.3
89.81649	0.3
147.57085	0.3
149.00082	5.3
152.99576	0.5
179.01125	0.8
205.15982	2.6
207.02382	0.3
225.11198	0.7
255.23392	0.7
268.85583	0.3
277.21725	0.8
285.12592	3.4
355.16824	2.5
385.17865	1.2
447.13409	4.7
448.13602	0.3
529.97577	0.4
608.87744	0.4
653.30084	54.0
654.30457	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	653.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
57.03463	1.5
58.00616	0.5
59.01376	16.2
59.04153	0.4
61.98825	3.3
71.01380	11.0
72.99323	1.5
73.02948	2.6
75.00877	2.7
79.72219	0.5
83.01406	1.9
85.02927	3.9
87.00916	1.0
88.98820	0.4
89.02438	5.7
95.01421	1.3
96.96011	0.8
99.00900	0.6
101.02440	6.0
111.00876	0.6
113.02457	4.2
119.03515	1.9
119.05016	0.7
123.08196	0.7
125.02435	0.7
125.09737	2.3
127.11308	0.7
129.01956	0.5
135.02985	1.2
135.04549	0.5
135.78462	0.4
137.09746	0.7
143.10713	0.6
145.02950	1.1
155.10841	0.9
161.02455	1.0
163.03967	0.5
171.10281	6.7
192.46750	0.5
192.89584	0.5
210.73895	0.5
217.14537	0.4
229.14511	0.7
239.90259	0.5
290.12128	0.5
307.08157	0.7
327.21881	1.3
355.24869	5.1
356.25052	0.9
373.25912	18.8
374.26202	1.4
391.19943	0.8
475.60684	0.6
517.30011	3.2
535.31189	100.0
536.31567	7.8
598.54926	0.5
622.09088	0.5
628.84528	0.6
653.33826	69.4
654.34308	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	653.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22816	0.4
55.01869	1.8
57.03447	0.9
57.86593	0.4
58.00583	1.9
59.01379	43.1
61.98829	2.1
64.40091	0.4
68.62167	0.4
68.79568	0.4
68.99821	0.4
69.03448	2.0
69.09500	0.4
69.31302	3.6
71.01379	36.5
72.01740	0.5
72.99306	3.1
73.02943	6.9
75.00874	0.9
78.95901	0.8
81.03460	2.3
83.01385	5.2
85.02950	7.4
86.00113	0.5
87.00343	0.5
87.00877	9.5
87.14412	0.5
89.02444	35.2
90.02758	0.8
91.04025	0.6
93.03460	1.0
95.01399	2.7
97.02948	6.8
99.00880	2.4
101.02443	31.6
103.00388	0.7
103.04013	0.5
109.02944	1.1
111.00842	0.4
111.04521	1.1
113.02452	15.3
115.04011	0.6
119.03508	9.5
121.02952	0.8
123.00850	0.8
123.04504	0.6
124.01693	0.5
125.02446	14.9
127.03963	0.4
129.02032	0.4
131.03481	1.9
133.05081	0.7
137.02483	0.6
139.04068	0.8
141.01973	0.6
143.03508	7.3
149.04498	0.6
152.99530	0.4
161.04547	7.2
167.03514	0.8
169.01465	0.7
172.71443	0.4
179.05621	7.4
179.07161	0.3
181.07202	0.8
185.04549	1.0
193.59845	0.5
202.68228	0.4
217.07187	1.3
219.05020	0.4
221.06636	2.7
235.08215	14.9
245.06673	1.1
253.09306	3.2
255.03070	0.7
255.23282	100.0
256.23602	4.9
263.07794	1.1
269.24863	0.7
277.09314	1.1
285.04013	0.6
287.07742	3.7
305.08719	4.7
323.09808	1.5
379.12350	0.6
397.13483	90.4
398.13895	4.6
399.26901	0.5
415.14560	33.7
416.14957	1.5
471.34467	2.4
473.35690	0.8
532.87366	0.4
535.11279	0.5
535.61371	0.5
652.76440	0.8
653.26868	0.7
653.37860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47777	0.8
54.56312	0.8
57.11967	0.9
59.01371	3.2
61.98837	1.7
65.00322	1.0
69.24421	7.4
76.23351	1.0
83.01376	1.6
89.02430	1.1
91.01900	1.0
93.03450	2.6
101.02465	1.7
107.01375	2.9
109.02927	1.3
116.92850	2.4
125.02409	1.4
132.02180	1.2
133.02953	1.2
135.00830	2.1
145.02934	2.1
149.02396	2.0
150.03221	3.4
151.00365	5.3
153.01952	1.5
159.04483	1.4
161.02394	1.3
163.00380	2.9
164.01158	1.2
164.04744	2.4
165.01917	1.7
165.05504	1.1
167.04987	1.0
169.01450	1.1
175.00374	2.9
176.01091	5.1
177.01875	1.1
183.04515	2.9
185.05992	1.8
187.03958	3.9
190.02744	5.6
190.99773	1.0
191.03513	9.2
194.02187	1.1
195.54489	1.0
205.05061	5.2
209.04553	2.6
211.04054	5.2
213.05566	3.0
227.03496	53.7
228.03841	2.6
229.05081	9.7
239.03355	2.5
240.04138	1.1
241.05099	2.1
251.05655	1.8
255.02974	100.0
256.03506	10.0
257.04608	7.7
283.02530	7.9
284.03250	88.5
285.04019	98.2
286.04333	3.2
297.11838	1.6
298.04868	3.4
299.05621	20.2
300.05920	1.4
327.04999	1.9
335.48410	1.0
339.07117	1.8
353.08752	23.0
358.46829	1.1
367.10306	3.9
373.25903	2.7
447.09286	3.5
461.10934	2.2
509.33438	1.0
653.15070	92.9
654.15558	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	651.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40759	0.2
59.01379	100.0
60.01704	0.5
61.98826	1.6
66.78448	0.3
76.99737	0.3
78.95901	0.6
83.27289	0.2
85.02883	0.2
98.19884	0.8
100.51396	0.3
117.03520	0.3
119.05013	0.5
121.02950	2.1
131.03459	0.3
145.02974	0.7
148.88474	0.3
164.83661	0.3
168.45943	0.2
239.48666	0.2
259.17499	0.3
269.87524	0.3
276.05826	0.3
346.66049	0.3
389.55783	0.3
401.51315	0.3
471.34760	0.5
513.25769	0.3
569.34528	0.3
589.22528	0.3
591.38824	0.4
595.92865	0.4
651.39026	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	653.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.6
59.01359	3.8
61.98837	7.5
65.00315	3.7
71.01371	4.5
75.00849	1.9
78.95864	1.6
81.03450	1.5
83.01363	3.9
87.00872	1.8
88.98784	3.7
89.02431	2.7
93.03467	3.2
95.01363	2.8
96.96008	1.5
97.02943	6.4
101.02432	1.6
108.02174	6.2
109.02963	11.4
117.03450	8.7
119.05006	4.2
121.02947	9.7
123.00854	2.7
123.04514	5.1
125.02459	9.0
129.03444	1.3
133.02959	3.7
135.00874	1.9
135.02997	2.1
135.04491	1.9
137.02403	6.5
139.03940	1.7
145.02948	24.4
147.00853	1.7
149.02466	6.7
151.00345	7.7
151.03979	3.3
157.02876	1.9
159.04445	4.1
161.02425	11.5
163.00362	6.9
163.03998	4.8
164.01117	1.4
165.01926	14.7
171.49312	1.4
173.02409	9.8
174.03210	2.8
176.01128	4.6
177.01990	9.9
179.03481	2.2
185.02304	1.5
189.01906	6.6
190.02733	5.0
191.03400	2.4
191.05624	2.3
192.00668	2.6
193.01373	2.4
201.01923	13.2
201.05428	3.5
203.03404	3.0
205.01363	1.8
205.04935	4.2
213.01962	1.6
217.01390	7.6
218.02165	5.9
219.02708	1.6
226.99780	2.8
227.03445	1.7
229.01411	28.1
229.05008	10.6
230.02032	2.6
230.99185	1.8
231.02969	6.8
232.00099	26.1
233.00645	1.4
233.04546	3.0
243.02956	3.5
243.06641	9.4
245.00883	8.0
246.01553	3.0
247.02371	3.4
247.06026	4.2
249.03995	3.2
254.99396	2.8
261.03992	6.1
271.06113	3.0
273.00314	14.8
273.03503	2.1
277.03549	16.6
285.04102	2.1
287.01913	11.0
297.03812	1.8
300.09912	3.9
300.99667	1.5
305.03021	100.0
306.03424	3.8
307.08194	5.9
315.05090	87.2
315.12198	7.5
316.05316	4.1
327.12253	3.6
329.06409	1.8
331.00961	2.2
333.06201	6.4
373.25787	1.8
405.11389	1.9
408.64655	1.8
469.04105	1.9
527.06213	3.8
535.31323	9.5
545.07123	14.0
577.09888	23.0
578.09821	2.1
589.06152	1.7
603.07715	2.1
621.08813	36.4
622.08850	2.0
653.22083	7.1
653.32031	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	651.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81245	0.6
56.03361	0.6
57.03430	0.7
57.74784	0.6
59.01378	100.0
61.98827	3.3
62.59873	0.6
62.93934	0.6
71.01392	2.1
71.53168	1.3
72.99308	0.9
78.95905	1.6
88.98799	1.0
89.02451	1.6
89.85655	0.6
101.02467	2.2
109.02937	0.7
113.02452	1.0
116.92871	2.2
119.05064	0.9
121.02961	1.0
125.02496	2.0
130.87053	0.7
131.03511	0.7
135.04553	2.4
137.02484	1.3
145.02951	1.5
161.02504	1.8
169.01437	2.4
179.03506	2.7
209.11861	0.9
227.03630	0.9
249.11034	1.6
255.03229	0.7
283.02603	1.1
299.02087	0.7
360.28809	0.7
443.12228	0.6
447.09158	0.8
489.35394	1.5
554.28088	0.8
579.06744	0.7
589.25708	1.5
607.39392	1.5
615.90405	0.7
651.39087	6.3
652.38647	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	651.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81245	0.6
56.03361	0.6
57.03430	0.7
57.74784	0.6
59.01378	100.0
61.98827	3.3
62.59873	0.6
62.93934	0.6
71.01392	2.1
71.53168	1.3
72.99308	0.9
78.95905	1.6
88.98799	1.0
89.02451	1.6
89.85655	0.6
101.02467	2.2
109.02937	0.7
113.02452	1.0
116.92871	2.2
119.05064	0.9
121.02961	1.0
125.02496	2.0
130.87053	0.7
131.03511	0.7
135.04553	2.4
137.02484	1.3
145.02951	1.5
161.02504	1.8
169.01437	2.4
179.03506	2.7
209.11861	0.9
227.03630	0.9
249.11034	1.6
255.03229	0.7
283.02603	1.1
299.02087	0.7
360.28809	0.7
443.12228	0.6
447.09158	0.8
489.35394	1.5
554.28088	0.8
579.06744	0.7
589.25708	1.5
607.39392	1.5
615.90405	0.7
651.39087	6.3
652.38647	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	651.4111
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
51.29927	0.4
58.00599	0.6
59.01377	7.1
61.98827	6.1
69.33961	3.4
71.01383	8.7
72.99300	0.9
78.95894	1.1
82.10578	0.4
83.01376	0.6
85.02970	0.7
87.00869	0.8
89.02444	9.9
98.19860	0.4
101.02448	4.5
104.92807	4.2
113.02464	2.7
119.03488	2.3
124.59866	0.3
130.63373	0.4
131.03506	1.0
143.03506	1.1
144.59029	0.4
149.04553	0.9
161.04579	1.6
179.05620	6.5
180.25850	0.4
180.98792	0.3
209.11958	0.4
255.03023	0.9
277.21762	0.5
283.02460	0.7
284.03256	0.5
285.04080	1.3
322.24438	0.4
390.79916	0.4
413.01816	0.4
471.34787	100.0
472.35147	9.6
476.53561	0.5
522.15552	0.9
651.25531	3.0
651.35504	0.4
651.41119	0.5
652.26074	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81245	0.6
56.03361	0.6
57.03430	0.7
57.74784	0.6
59.01378	100.0
61.98827	3.3
62.59873	0.6
62.93934	0.6
71.01392	2.1
71.53168	1.3
72.99308	0.9
78.95905	1.6
88.98799	1.0
89.02451	1.6
89.85655	0.6
101.02467	2.2
109.02937	0.7
113.02452	1.0
116.92871	2.2
119.05064	0.9
121.02961	1.0
125.02496	2.0
130.87053	0.7
131.03511	0.7
135.04553	2.4
137.02484	1.3
145.02951	1.5
161.02504	1.8
169.01437	2.4
179.03506	2.7
209.11861	0.9
227.03630	0.9
249.11034	1.6
255.03229	0.7
283.02603	1.1
299.02087	0.7
360.28809	0.7
443.12228	0.6
447.09158	0.8
489.35394	1.5
554.28088	0.8
579.06744	0.7
589.25708	1.5
607.39392	1.5
615.90405	0.7
651.39087	6.3
652.38647	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	651.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49403	0.3
59.01378	100.0
61.98833	0.9
63.13402	0.4
65.59789	0.3
69.97868	1.3
71.01402	0.6
78.95901	2.5
89.02448	0.5
91.08913	0.3
98.00842	0.4
113.02457	0.4
125.09718	0.5
152.99557	2.6
187.09738	0.7
192.59132	0.3
224.44977	0.3
268.61877	0.4
277.21713	21.8
278.22107	1.3
279.23505	0.4
291.23108	0.5
415.13757	0.7
465.26550	0.5
651.14569	0.4
651.35272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.9
61.98829	18.2
62.32598	1.4
62.32898	1.5
66.35456	1.2
69.71926	1.1
70.96493	3.0
70.96855	1.2
71.05018	3.2
78.95895	2.3
93.03455	1.7
117.03468	22.3
119.05022	67.4
121.02957	100.0
122.03250	2.0
140.48581	1.2
145.02954	81.0
146.03307	3.5
162.83914	5.7
163.03993	6.0
164.83609	2.1
191.39294	1.2
206.65672	1.4
246.03148	1.4
283.02658	1.7
285.03882	2.1
297.23361	1.3
325.82352	1.6
342.85797	1.4
377.11337	1.3
469.33170	4.2
485.32581	1.7
487.34424	14.2
488.34613	3.0
489.34897	2.6
513.32184	22.1
529.35211	2.2
569.35162	2.0
571.37622	2.0
589.38934	19.1
590.39038	1.8
633.37927	33.4
634.38513	3.5
651.17743	2.4
651.28333	10.9
651.38922	55.3
652.28766	2.1
652.39050	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	651.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52915	1.7
59.01373	4.1
71.01376	4.0
71.52905	1.6
75.00878	2.3
85.02937	2.0
96.96042	2.0
109.02919	1.6
116.21899	1.4
118.98040	1.9
119.05006	2.1
121.02932	2.7
123.00818	2.0
124.01653	5.4
125.02470	3.3
133.02957	1.9
135.02974	4.0
135.04477	2.2
137.02400	1.8
139.00377	3.4
139.04004	34.4
145.02898	2.3
146.03693	4.9
149.06042	3.1
151.00362	5.7
151.03981	3.0
153.05521	4.6
161.02419	5.3
161.06082	2.7
163.00410	8.6
164.04727	4.5
165.01927	3.3
166.02722	11.6
171.85675	1.6
175.03958	3.0
177.01851	1.5
178.02733	11.7
179.03409	4.2
179.07118	18.2
179.10643	1.4
180.04259	1.7
181.01483	8.2
181.05048	21.9
183.06561	4.1
193.01385	3.2
193.05058	32.7
194.02168	4.8
195.02927	3.5
196.03743	20.5
197.04539	7.0
204.64897	1.3
208.03723	3.7
211.06108	100.0
212.06427	3.6
214.95650	1.4
221.04459	1.4
223.06097	25.6
241.07129	21.4
255.02953	3.6
284.06915	5.2
285.07761	3.2
299.09286	11.1
300.02869	3.4
300.09933	3.1
301.03485	5.5
314.11542	2.2
328.09454	2.5
343.11761	5.4
358.10638	3.4
373.12860	21.7
403.13916	18.2
447.09302	5.5
465.09235	1.5
563.26721	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2461
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
55.33842	1.0
59.01381	19.9
61.98829	7.0
62.19281	1.2
71.01380	15.9
71.53127	2.1
71.53500	1.6
72.99315	1.4
83.71275	1.1
85.02935	3.2
87.00852	3.3
89.02444	18.4
93.03454	6.9
97.02921	1.6
101.02448	13.9
101.92876	1.1
105.00014	1.5
112.27200	1.1
113.02428	5.9
119.03471	5.8
125.02445	3.9
135.04504	1.1
137.02466	6.8
142.99809	1.4
143.03462	2.6
161.02377	1.3
161.04494	2.6
179.05637	6.3
200.26950	1.1
217.07220	1.2
221.06529	1.4
235.08162	3.7
253.21716	10.6
277.21606	1.9
279.92731	1.3
280.95081	1.4
318.57712	1.3
348.06152	1.5
397.13428	14.4
415.08914	2.4
415.14532	45.4
416.14584	1.9
435.18185	1.6
469.33270	1.8
471.34787	28.1
472.35150	1.9
489.15369	10.1
491.17023	7.2
492.17108	1.5
503.17026	1.3
504.17996	2.4
505.18787	4.9
545.18207	4.8
555.91724	1.3
591.22327	17.7
592.23102	3.0
619.21967	1.8
651.24585	100.0
652.24963	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	651.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89783	0.5
56.34272	0.6
57.03471	0.7
59.01377	21.2
59.16779	0.5
61.98826	10.2
69.42532	2.8
69.42960	1.8
71.01382	2.9
72.99318	1.1
73.02961	0.8
78.95903	12.3
80.02701	1.9
81.03472	2.5
82.34213	0.6
83.01409	1.3
83.05032	7.0
84.02161	1.9
85.02970	0.8
88.98827	2.0
89.02461	1.6
93.03486	1.5
95.05028	1.4
96.96049	1.0
97.06567	0.7
101.02446	1.1
107.01387	0.7
108.02154	1.6
109.02953	2.4
109.06601	1.0
112.98569	0.8
113.02468	1.1
116.92870	1.6
119.05070	0.7
123.00893	1.4
123.84753	0.6
125.00094	6.5
125.02431	2.4
125.05991	0.6
135.04546	1.1
135.08189	0.9
137.02455	1.9
139.04036	1.1
145.02953	1.3
147.04498	2.1
152.01105	1.6
152.99626	1.3
153.01952	1.3
161.02417	1.6
161.05960	1.4
162.89291	0.6
163.11279	7.3
165.01941	0.8
165.12822	4.6
168.00612	0.6
169.01448	3.3
171.10236	0.7
179.03564	1.6
181.02728	2.5
181.12309	1.1
189.05568	0.8
191.10722	2.0
209.11812	100.0
210.12134	3.8
227.12877	22.8
228.13139	0.7
285.03955	0.8
311.09286	1.2
329.05249	0.6
341.13870	0.7
391.15298	0.7
409.16211	2.1
429.30225	0.9
441.18854	2.1
489.36075	1.2
503.33997	3.7
524.76080	0.7
545.24225	0.7
585.11578	0.7
617.57397	0.7
619.28796	9.2
620.28845	1.1
651.31006	36.3
652.31000	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	651.1565
Annotation	Kaempferol 3-(6''-acetylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
51.22775	0.7
51.77066	0.7
53.32525	0.7
59.01370	1.5
63.97380	0.7
65.00344	1.2
71.01370	1.7
71.52570	0.6
74.77010	0.7
75.00871	1.0
85.02951	1.6
87.00896	1.8
89.02496	0.7
93.03449	3.5
94.22514	0.6
96.96027	0.8
107.01395	1.6
109.02950	0.9
114.84799	0.7
117.03469	2.2
119.05010	4.6
125.02448	2.6
135.04543	1.8
137.02391	1.0
147.00862	1.2
151.00362	3.1
161.02489	1.7
163.03989	2.2
169.01486	3.7
169.02779	0.7
169.06587	0.9
171.04433	0.8
173.02397	0.7
173.04591	1.1
177.04094	0.7
179.03488	1.8
183.04494	3.5
185.06107	1.0
187.04018	0.9
189.05453	0.7
191.05589	7.4
195.05038	2.1
211.03957	4.0
213.05554	1.6
214.02817	0.8
215.03619	0.7
218.81976	0.7
227.03496	8.6
229.04976	1.0
235.44955	0.8
239.03377	0.8
241.05159	0.9
243.03096	1.2
255.02966	52.1
256.03406	2.8
271.02478	3.5
281.04779	0.8
283.02460	100.0
284.03067	12.8
285.04019	69.8
286.04340	3.0
297.03931	1.4
299.01971	4.4
300.02505	0.9
301.00009	1.0
301.03497	2.7
313.05518	1.0
325.09286	1.0
327.05042	2.7
327.08694	0.8
337.08002	0.7
353.09991	0.9
446.08432	2.6
447.09308	29.7
448.09271	1.4
488.09543	14.9
489.10303	27.4
490.10577	2.9
499.14465	2.5
504.09631	1.0
505.09888	1.2
562.69244	0.7
651.15576	50.7
652.15967	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	651.1563
Annotation	Kaempferol 3-(6''-acetylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.15645	0.5
61.62542	0.5
63.05379	0.6
63.64872	0.5
71.43604	1.2
74.48309	0.5
90.23091	0.5
93.03455	1.6
104.74390	0.5
107.01369	1.1
110.45975	0.7
117.03423	1.5
117.04259	0.7
117.05173	0.6
118.90807	0.6
125.02439	0.6
134.63971	0.6
135.04527	0.7
151.00381	1.8
159.04532	0.9
163.00320	0.5
169.06612	0.9
171.04530	0.7
183.04559	3.3
191.05487	0.5
199.03931	0.8
211.03912	3.2
213.05539	0.7
227.03459	6.5
239.03529	0.8
255.02972	50.4
256.03378	2.6
269.04623	0.8
277.93839	0.6
281.04382	0.9
283.02460	100.0
284.03036	11.2
285.04028	65.2
286.04333	3.8
297.03940	0.7
309.04199	0.9
327.05005	2.4
446.08527	20.3
447.09253	13.2
448.09561	0.9
489.10388	24.5
490.10486	1.8
503.12408	1.1
531.11615	3.3
651.15631	45.7
652.16150	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	649.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00564	0.1
59.01369	0.4
61.98819	0.3
64.22086	0.1
71.01357	0.3
71.05029	0.5
73.02923	0.1
75.14854	0.1
83.05026	0.2
85.02925	0.1
89.02441	0.3
97.06575	0.1
98.20587	0.2
101.02416	0.3
108.02142	0.2
109.02940	0.1
115.00342	0.1
125.02451	0.2
145.02995	0.2
152.01187	0.1
153.01968	0.2
161.02408	0.1
168.94743	0.1
169.01430	0.3
184.54921	0.1
206.68562	0.1
247.12892	0.1
278.57138	0.1
289.06140	0.1
371.29553	0.4
377.28568	0.2
393.31482	0.2
405.31650	0.4
407.33389	1.0
408.33603	0.2
423.32590	0.7
425.34244	1.0
427.32059	1.0
439.32129	0.3
440.32889	0.1
441.33801	0.2
443.35208	0.8
455.31638	0.2
467.31671	0.3
469.33188	9.9
470.33530	1.0
487.34247	100.0
488.34583	10.9
497.20389	0.4
513.32257	0.4
649.20422	0.9
649.30212	0.1
650.21082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40070	0.3
52.88236	0.2
59.01382	1.4
61.98835	1.4
71.01363	0.4
71.05012	1.1
78.98567	0.3
89.02437	0.6
95.67374	0.3
96.96025	0.3
101.02396	0.6
109.02971	0.4
116.92867	0.6
122.92124	0.3
125.02441	0.7
145.70677	0.3
161.02390	0.4
169.01390	0.4
241.93298	0.3
248.12581	0.3
315.30850	0.3
371.29794	0.3
393.31607	0.4
394.23209	0.3
414.21530	0.3
423.32697	0.8
427.32202	0.9
428.32260	0.3
437.30447	0.9
439.32126	0.4
443.35284	0.5
467.31735	2.2
469.33182	10.5
470.33453	0.9
487.34256	100.0
488.34589	9.9
513.31879	0.3
566.02081	0.3
645.18463	0.3
649.29437	0.4
649.38605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3958
Annotation	28-Glucosyl tormentate
Peak:m/z	Relative Intensity
50.73461	0.6
53.32336	0.6
59.01113	0.8
59.01382	11.0
61.98829	5.3
62.66599	0.6
71.01383	15.0
71.04992	1.0
71.53257	0.8
74.97865	0.6
78.95911	0.9
83.01387	0.8
85.02931	0.8
87.00872	1.7
89.02443	20.8
97.06607	1.2
97.25043	0.6
101.02441	5.8
103.92038	1.2
104.92799	2.0
113.02447	3.4
119.03513	3.5
125.02396	0.8
131.03508	1.2
143.03537	1.5
145.02957	2.1
149.04573	1.4
161.04535	1.5
177.04021	0.6
179.05605	9.6
214.93539	0.6
237.08704	0.7
287.20273	0.7
301.55746	0.7
361.29071	0.8
407.33194	1.6
409.31049	2.2
423.32672	1.0
427.40051	0.7
438.58398	0.7
439.32330	3.0
446.24463	0.7
451.32147	9.9
452.32153	0.8
456.33084	0.8
469.33194	100.0
470.33545	10.8
471.34604	4.0
487.34491	0.7
649.24811	1.5
649.37402	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	650.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.9
61.98825	4.8
69.03425	1.0
69.39014	5.0
71.01367	1.6
81.03455	0.6
83.01357	0.6
84.88770	0.7
85.02947	0.9
87.00902	0.8
88.98804	0.8
89.02505	0.7
95.01357	0.7
96.96008	17.1
97.02931	1.6
101.02412	1.2
106.58315	0.6
107.01385	9.3
112.98593	0.7
115.92102	0.8
121.02944	2.1
123.00872	1.1
124.01627	0.5
125.02444	48.1
126.02777	2.3
139.00407	0.7
145.02940	0.9
151.00414	1.3
161.02478	0.6
161.70651	0.6
166.02693	1.2
169.01419	100.0
170.01794	4.1
177.03897	0.7
181.05031	3.0
233.08167	0.9
327.21774	1.3
415.14029	1.0
417.08447	1.8
435.09308	1.3
447.16425	1.1
587.10352	10.6
588.10162	1.2
649.28448	1.0
650.18628	1.3
650.28918	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	650.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27894	1.4
57.03448	1.5
59.01378	9.9
61.98831	100.0
68.99563	4.9
69.03500	1.3
71.01384	6.6
71.52736	2.3
71.53116	1.7
72.99275	1.5
73.02957	1.8
81.19286	1.3
85.02934	3.3
88.95230	1.2
88.98799	3.7
89.02414	2.8
93.03525	1.9
95.28101	1.3
96.96021	3.7
101.02421	3.8
105.00272	1.4
109.02953	3.0
112.98565	4.1
113.02435	3.4
116.92831	3.4
119.05041	3.7
122.03651	1.3
123.00909	1.4
125.02448	3.8
133.02966	18.8
134.03711	2.9
135.04529	45.5
136.04968	2.3
137.02423	3.3
149.06058	5.6
151.04092	1.3
161.02444	83.1
162.02808	3.8
163.04027	2.8
169.01369	4.0
177.05554	14.3
179.03503	56.8
180.03812	1.8
203.03464	3.9
209.11841	2.2
219.13857	4.0
221.04546	20.3
251.05627	19.9
263.12756	1.9
281.06668	28.3
285.03925	1.9
305.06674	1.7
323.07718	80.8
324.08127	4.6
341.08774	52.1
587.21362	53.4
588.21570	5.0
613.78680	1.8
650.30109	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	649.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
60.83310	0.1
60.95047	0.1
61.98824	0.4
67.11278	0.1
67.28626	0.1
71.01380	0.1
71.05035	0.7
71.53547	0.2
89.02467	0.2
97.06606	0.1
99.33237	0.1
101.02455	0.2
108.02177	0.1
109.02930	0.3
115.45526	0.1
125.02480	0.2
137.09671	0.1
152.01123	0.3
153.01923	0.1
159.40314	0.1
161.02420	0.2
169.01353	0.2
195.05266	0.1
201.58810	0.1
216.62498	0.1
308.42273	0.1
316.99875	0.1
325.89966	0.1
371.29413	0.2
377.28461	0.2
391.30273	0.1
392.31290	0.1
393.31537	0.4
405.31598	0.4
407.33154	1.4
421.31415	0.2
423.32764	0.9
425.34366	1.4
427.32031	1.2
439.32031	0.5
441.33716	0.3
443.35089	0.5
455.31100	0.3
457.33389	0.2
467.31644	0.3
469.33197	10.6
470.33560	1.0
487.34259	100.0
488.34613	10.1
497.19989	0.2
513.32202	0.3
649.20648	0.3
649.30103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16098	1.0
54.73952	1.1
59.01380	8.6
60.99296	1.4
61.98824	12.7
63.90620	1.1
71.01361	1.9
71.05016	2.3
71.53319	1.3
78.95907	2.2
81.61264	1.0
89.02438	1.6
95.01359	1.1
101.02436	3.1
117.03468	31.5
118.03792	1.3
119.05030	73.7
120.05354	1.6
121.02975	3.6
123.00911	1.9
125.02419	1.7
145.02954	100.0
146.03308	3.3
160.84161	1.9
162.83910	2.7
163.04013	99.3
164.04301	2.6
169.01418	3.1
216.15669	1.3
251.20129	2.1
318.51346	1.2
422.44308	1.3
467.31555	1.4
469.33234	6.0
485.33081	1.6
487.34290	62.9
488.34665	6.1
501.32092	1.8
587.37341	67.4
588.37512	8.0
631.36243	3.1
649.28534	6.6
649.37360	33.7
650.37836	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	649.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82389	0.8
58.00608	0.9
59.01377	9.9
61.98841	6.9
63.01374	0.7
63.77628	0.8
71.05023	2.1
71.67619	0.9
78.95905	2.5
117.03461	25.8
118.03787	1.1
119.05026	26.6
120.05335	1.5
121.02926	1.5
123.04475	1.0
143.89420	0.9
145.02950	100.0
146.03290	2.3
160.84201	1.6
161.02403	1.0
162.83916	2.0
163.04007	4.9
164.83612	1.1
168.00629	0.9
169.01414	1.5
267.66269	1.0
311.24683	1.0
423.33136	1.1
487.34134	6.4
529.31647	2.9
587.37262	11.0
588.38190	1.1
605.38513	1.4
649.29480	3.1
649.37451	70.4
650.37756	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	649.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58778	0.4
59.01379	6.0
60.88672	0.4
60.99326	0.5
61.98837	2.6
71.01383	1.9
71.02036	1.3
71.05038	1.3
78.02518	0.5
78.95908	1.2
84.55199	0.5
85.02974	0.9
87.00867	0.5
89.02460	1.5
93.08732	0.5
101.02438	1.5
113.02484	0.6
117.03463	30.6
118.03800	0.8
119.05025	31.6
120.05349	0.8
121.02948	2.3
125.02444	0.9
133.02927	0.9
145.02948	100.0
146.03285	3.2
147.04388	0.5
152.58035	0.5
152.99550	0.5
161.02432	1.2
162.03122	1.6
162.83820	0.8
163.04008	19.7
164.04361	0.7
180.73439	0.5
235.08333	0.9
251.20168	4.2
397.13559	3.6
415.14517	1.4
455.31955	0.7
487.34177	2.5
587.37354	47.5
588.37787	4.7
603.39252	2.6
605.38617	3.5
631.36346	3.1
649.37427	49.0
650.37732	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	649.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
59.01378	30.0
61.98836	11.5
68.99565	1.7
69.52479	1.3
69.60799	3.5
69.61207	5.2
71.01379	19.7
72.99291	3.0
73.02934	1.8
82.27513	1.4
83.01365	2.8
85.02939	6.3
88.98811	2.8
89.02443	19.2
90.14999	1.3
95.01375	2.9
96.96014	6.3
98.19874	1.5
101.02436	13.2
107.01344	4.7
108.02222	2.0
109.02908	3.0
111.00900	2.8
113.02466	6.8
116.86582	1.3
116.92841	3.8
117.03384	2.7
119.03467	5.8
119.05014	2.9
123.00874	9.3
125.01540	1.5
125.02438	24.3
127.00290	1.7
133.02924	1.9
135.02893	1.7
135.04538	2.0
136.98763	1.7
137.02397	3.0
139.00337	5.3
140.01122	5.1
141.01907	1.6
145.02946	8.3
150.03221	1.7
151.00360	8.9
152.01047	2.8
153.01974	3.5
161.02354	2.9
163.03976	2.1
165.05487	2.0
167.03516	1.5
168.00652	12.8
169.01419	29.9
177.03979	2.3
195.06633	3.6
211.02444	11.5
217.01247	1.3
271.04483	8.2
328.59912	1.3
469.33096	1.7
487.34323	64.0
488.34265	2.3
497.20273	67.3
498.20575	5.4
524.19928	1.5
649.21100	100.0
649.38318	3.1
650.21521	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	649.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94046	0.8
55.68677	0.8
59.01382	5.9
61.98815	4.6
64.96365	0.8
71.01350	1.0
71.05033	0.9
71.53751	1.4
78.95914	1.2
89.02431	1.2
109.02931	1.0
117.03454	3.3
119.05016	2.5
123.04519	2.0
125.02440	7.2
132.02145	1.8
133.02963	24.9
134.03706	3.5
135.04509	13.1
137.02422	3.9
145.02954	10.7
147.04500	1.0
149.02406	1.0
151.03975	2.6
161.02440	82.7
162.02785	1.4
162.83899	1.2
163.03972	2.1
178.02728	1.9
179.03465	3.3
228.06686	0.8
258.14340	0.8
277.21695	1.6
289.07150	3.7
425.34186	1.7
457.33118	1.8
469.33273	1.5
485.32361	0.9
486.62308	0.8
487.34363	3.5
587.37146	2.2
631.36548	1.3
649.37408	100.0
650.37714	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	648.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07724	0.2
55.12278	0.2
55.56862	0.2
56.37711	0.2
59.01377	0.5
61.98827	100.0
69.29024	2.0
88.28659	0.3
92.39554	0.2
96.96037	0.3
115.99094	0.2
161.02492	0.7
285.04224	0.3
347.95435	0.3
513.03400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99072	0.2
54.40210	0.2
59.01376	1.3
61.40755	0.2
61.98829	100.0
69.38826	1.9
71.01390	0.7
85.02921	0.4
89.02436	0.5
96.96007	0.4
98.27423	0.2
101.02462	0.5
108.02195	0.4
109.02968	0.4
113.02439	0.5
116.92871	0.3
119.03483	0.2
125.02455	0.4
135.02986	0.3
152.01208	0.6
161.02498	0.3
240.71770	0.2
281.89423	0.4
511.10568	0.2
544.28839	0.5
562.29901	0.8
649.28625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66679	2.1
59.01372	5.9
59.87766	2.4
60.39810	2.6
61.98801	2.6
69.79109	13.9
71.01411	3.1
83.96828	2.2
96.96014	100.0
97.95928	3.8
98.20663	2.5
98.95595	68.6
98.96430	12.3
99.92584	43.7
100.93368	4.4
101.88020	2.3
103.22458	2.3
107.01408	3.2
107.31392	2.6
109.02988	2.8
112.01204	2.7
115.92088	19.3
116.92093	4.3
116.92864	53.7
119.05006	10.8
129.01892	3.0
133.02936	4.3
135.04517	9.4
145.02942	3.3
149.02419	3.1
151.00357	5.4
161.02451	23.1
163.03952	6.6
164.04781	8.4
165.05585	2.7
167.52299	2.6
177.03999	2.6
177.05568	2.5
179.03470	11.5
179.07127	7.8
180.04201	3.2
189.01875	3.2
199.04016	4.7
215.95096	2.6
225.02115	3.4
226.02623	3.6
226.96440	2.5
227.03481	3.6
231.94945	2.9
241.01367	4.5
242.02094	3.0
243.03009	7.1
243.96794	3.2
244.97653	4.1
245.97346	2.4
255.02948	7.1
271.02499	31.9
284.95209	3.4
294.18094	2.7
296.94925	3.9
298.96613	2.7
299.01962	47.5
300.02692	10.2
301.03293	4.4
308.94922	3.3
323.07632	6.0
324.94199	3.6
325.95187	8.9
326.95801	8.8
336.94489	6.2
338.96112	4.5
340.94022	4.0
341.94525	2.8
352.94067	15.4
353.94797	15.8
354.95557	27.2
355.96121	6.1
366.95395	3.5
369.94254	5.8
370.95111	12.6
380.93335	8.5
381.94196	11.8
382.94952	43.1
383.95761	30.3
384.96576	12.3
385.97614	3.4
394.94913	3.8
398.94501	10.1
411.95200	8.2
412.95877	5.4
463.09027	5.8
480.98575	6.0
487.12506	12.7
488.79929	2.7
495.00220	6.2
507.10019	5.3
508.98053	7.9
510.99786	20.4
526.99219	90.7
527.99359	10.4
529.00720	7.2
569.00256	8.9
587.01410	69.3
588.01514	9.0
605.02643	9.3
612.99268	38.3
613.99701	4.0
631.00140	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	647.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73115	0.7
61.07357	0.7
61.98824	1.2
78.95904	27.5
80.02652	1.8
81.03445	1.8
83.05032	7.3
84.02135	1.8
95.05006	0.7
96.11085	0.7
97.06601	0.7
110.98532	1.7
125.00087	9.7
125.06114	0.8
135.08194	1.0
152.99609	4.3
163.11284	6.4
164.11630	0.9
165.12839	3.3
179.10806	1.0
181.02657	4.9
181.12349	1.3
181.97583	0.7
185.11841	0.8
191.10756	1.7
197.11818	4.2
199.13458	1.2
209.11819	100.0
210.12219	3.6
211.13416	2.5
225.11348	0.7
227.12874	26.3
228.13199	1.5
241.10767	1.0
245.81961	0.8
253.21738	1.3
255.23286	81.7
256.23633	3.8
281.24854	1.8
320.14142	0.8
359.39447	0.8
391.15515	1.0
393.13190	1.3
409.16351	1.0
434.64850	0.8
437.26602	7.8
454.70380	0.8
548.46143	0.8
608.34174	0.8
608.44244	0.8
647.39258	50.3
648.39398	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	647.3951
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
61.24724	0.7
78.95900	1.7
89.50377	0.6
91.96389	0.6
95.76341	0.7
98.20663	1.8
105.03453	2.4
117.06026	0.7
119.04942	0.7
132.02158	7.3
133.02951	16.3
134.03732	3.3
136.01596	0.8
147.04562	0.8
149.06033	1.9
152.99561	0.8
160.01646	36.6
161.02248	0.6
161.92581	0.9
175.03993	39.0
176.83232	0.7
177.01959	3.6
193.05087	1.0
211.44658	0.7
229.13361	0.8
277.21744	2.4
453.33627	1.5
497.32977	1.4
515.09875	0.8
566.54608	0.7
588.38385	0.9
632.37244	6.2
647.39496	100.0
648.39899	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	647.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68484	0.9
59.01373	7.7
61.98800	2.6
69.02615	1.1
71.01390	6.2
71.53425	1.8
73.02933	1.6
79.59330	1.0
80.96474	3.8
81.03423	1.5
82.96068	2.4
83.01352	1.7
85.02937	2.2
89.02441	1.8
93.03436	1.8
94.98022	1.4
95.01353	3.5
96.95958	2.9
97.02935	1.8
99.92519	2.4
101.02396	3.4
107.01384	8.7
111.00825	4.2
113.02413	2.5
115.92029	1.4
116.92764	1.3
117.03461	21.6
119.05017	10.1
121.02895	2.2
123.00882	15.0
124.01607	3.6
125.02443	51.2
127.00368	1.2
130.31932	1.1
133.02930	1.2
135.04469	3.2
136.98763	1.9
137.02425	2.5
139.00383	6.5
139.03951	2.6
140.01155	5.5
141.01859	1.6
145.02946	82.0
146.03209	2.5
151.00368	9.2
153.01880	2.0
161.02371	3.7
163.04007	7.6
165.01869	2.2
166.06380	7.9
166.99753	2.8
167.07074	2.2
168.00645	7.7
169.01414	70.0
170.01608	2.3
177.05612	1.0
179.03366	3.7
181.08586	4.3
183.02896	4.3
191.05518	2.2
195.02840	2.2
195.06570	2.0
205.05226	1.1
211.02289	1.3
225.07617	1.8
263.01355	1.1
291.58163	1.1
300.99838	2.4
307.08188	8.9
313.05624	19.2
318.07437	11.5
327.07254	1.4
332.08813	1.9
333.09814	34.2
334.09912	2.2
339.10840	24.8
350.65875	1.1
391.02789	1.1
471.12717	1.4
495.15045	100.0
496.15347	7.1
584.10870	1.7
647.16003	91.9
648.16125	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	647.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51302	0.4
59.01366	1.7
65.00301	0.3
69.03444	0.4
71.01369	1.6
71.51954	0.6
73.02909	0.4
81.03447	0.5
85.02949	6.2
87.00881	1.6
87.57224	0.4
93.03454	3.0
95.01369	0.6
96.95982	0.6
99.00878	0.5
101.02459	0.9
101.11004	0.4
105.03491	0.9
107.01387	0.6
107.05040	0.5
109.02950	1.3
111.04491	0.7
113.02443	0.8
117.03459	1.2
119.05019	1.0
121.02949	0.5
123.00858	1.4
125.02476	3.0
127.03987	1.7
131.07108	0.6
133.02966	2.5
135.04526	2.9
137.02448	0.8
139.00322	0.6
145.02937	2.3
147.04536	2.0
149.02414	0.4
151.00339	0.7
153.01978	0.4
155.03571	0.4
157.02980	0.4
160.01604	0.4
161.02423	6.9
162.03181	1.6
163.00346	1.3
163.04005	6.3
164.01115	0.6
165.01936	1.0
169.01410	2.9
171.02991	0.4
173.02408	2.5
173.04515	1.1
174.03111	0.6
175.03941	1.3
176.01146	0.4
177.01901	0.9
179.03493	1.1
187.00447	0.6
187.03888	0.4
188.01053	0.7
189.01912	7.0
190.02634	2.0
191.03546	11.8
191.05589	100.0
192.00380	0.4
192.03854	0.5
192.05962	2.8
192.99545	0.6
193.05081	0.4
201.01938	2.4
201.05515	0.4
205.01328	0.5
207.02858	0.5
215.03450	0.6
216.00591	0.9
217.01416	6.5
217.05006	0.5
218.02016	0.7
219.02928	2.9
229.01476	0.8
231.02974	0.4
232.00185	0.7
232.36862	0.4
233.00755	0.7
235.02480	2.6
244.00052	0.6
245.00900	4.2
259.99594	1.3
261.00372	9.8
262.00714	0.6
270.98947	0.8
275.02106	0.7
277.03568	0.4
287.99115	0.7
288.99887	1.3
289.07297	0.5
293.12302	1.3
298.98474	0.7
299.99081	0.5
300.99817	2.1
303.01450	0.4
331.01016	0.6
353.08762	13.8
353.13113	0.7
354.09052	0.4
363.03549	0.9
391.03067	0.6
405.04636	2.1
423.05710	1.9
433.03998	3.4
434.04758	0.5
451.05310	0.7
575.06708	30.2
576.07062	4.2
603.06244	9.1
603.15485	0.8
604.06720	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	647.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62139	0.2
59.88641	0.2
61.98812	0.2
64.47234	0.2
71.52089	0.2
71.52460	0.3
79.74905	0.2
79.95734	3.3
90.92583	0.2
93.03477	0.5
96.96008	100.0
97.95961	0.3
101.61049	0.2
109.02950	0.3
111.60149	0.1
119.05029	0.4
121.02939	0.2
125.02447	0.3
130.61642	0.2
135.04562	0.3
135.67203	0.2
137.02393	0.2
143.89378	0.2
145.02979	0.3
151.00352	0.3
161.02423	0.3
162.08209	0.2
169.01390	0.2
173.04445	0.2
179.03638	0.2
242.64798	0.2
243.02888	0.2
255.02937	0.8
257.33096	0.2
271.02414	1.2
289.07138	0.8
300.02704	2.6
301.03345	1.0
406.14331	0.2
505.09882	3.3
506.10156	0.2
588.28986	0.2
647.20258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72752	1.7
58.91273	1.5
59.01366	2.6
70.52552	3.0
70.52921	3.1
71.01380	5.9
73.02981	1.5
74.02478	3.6
75.00862	4.2
76.94630	1.4
85.02940	4.2
87.00891	2.5
89.02442	1.9
89.03979	1.7
93.03437	4.2
95.01353	5.0
96.96004	2.3
97.02937	2.1
102.35015	1.7
105.03503	1.8
107.01385	12.3
109.02971	3.3
111.00903	3.4
113.02468	2.7
116.03532	2.3
117.03457	4.5
119.05032	4.6
121.02969	2.2
123.00885	8.4
123.04538	3.2
124.98798	1.8
125.01534	2.2
125.02449	37.5
133.02942	5.4
135.02979	3.2
135.04539	8.6
135.05424	1.5
137.02466	5.4
139.00345	5.7
140.01176	2.3
145.02948	8.3
146.03781	2.5
147.04462	7.6
149.02388	3.5
150.03174	1.6
151.00339	3.6
151.03946	2.5
153.01955	2.3
160.01726	3.1
161.02428	21.9
163.00374	5.8
163.04007	17.1
164.01102	1.7
165.01921	4.4
165.05562	2.8
168.00577	3.0
169.01424	32.9
173.02397	7.0
173.04608	1.9
173.06082	2.0
175.03992	5.3
176.01163	3.1
177.01892	4.7
177.05524	2.6
179.03487	3.3
185.65419	1.6
187.00381	4.8
187.03987	2.5
188.01093	3.7
189.01915	23.7
190.02669	7.8
190.99855	2.7
191.03505	46.0
191.05539	7.3
193.01407	10.6
195.06561	2.1
201.01952	8.4
201.03601	1.6
203.03401	5.0
205.01466	2.4
207.03038	2.7
209.00787	2.4
211.02499	6.1
214.99753	3.1
216.00589	6.2
217.01416	19.9
217.04927	1.9
218.02147	2.6
219.02982	10.9
221.00894	2.6
229.01361	4.6
229.05038	1.7
231.02841	3.4
232.00031	3.9
233.00819	4.1
234.05240	1.8
235.02452	23.0
237.06047	3.3
242.02376	2.0
242.99260	2.4
243.02965	1.8
244.00139	2.7
245.00937	9.5
247.02402	4.4
257.04636	2.1
259.02457	3.9
259.99677	8.1
261.00369	24.2
261.08636	2.4
262.00839	2.7
263.01962	3.8
270.98712	3.4
275.01941	5.0
277.03574	2.8
287.99182	8.0
288.99899	6.3
289.07199	5.2
298.98193	2.6
299.99078	2.0
300.99884	13.3
303.01535	1.7
319.04639	2.2
331.00934	3.2
357.08325	2.3
363.03619	10.6
391.03015	14.5
405.04617	28.1
423.05847	4.0
433.04016	5.7
466.53180	1.8
531.07916	3.7
575.06738	100.0
576.07117	10.6
603.06134	26.3
604.06647	2.8
647.16150	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	647.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69082	2.3
69.69515	3.9
71.01363	1.4
76.53910	1.2
85.02934	1.8
87.00849	1.5
93.03468	1.9
98.20544	1.6
101.02421	1.4
105.03463	2.8
107.05027	1.0
117.03449	2.6
119.05001	4.1
123.00862	2.7
124.01640	1.0
125.02450	6.4
129.03441	1.1
132.02219	1.3
133.02953	3.5
135.04468	3.9
137.02425	1.3
145.02969	7.7
147.00804	1.1
147.04524	5.2
149.02420	1.5
151.00362	1.1
160.01627	1.5
161.02426	12.9
162.03218	3.7
163.00317	3.8
163.04001	16.3
164.01115	2.1
165.01930	2.4
169.01343	5.8
173.02443	6.9
174.03038	1.0
175.04019	2.4
176.01149	1.2
177.01894	1.7
187.00331	2.5
188.01086	2.3
189.01918	18.1
190.02702	5.5
191.03471	34.0
191.05563	24.0
191.07162	0.9
192.03867	2.0
201.01961	6.5
203.03380	1.7
205.01306	1.2
216.00642	3.0
217.01405	15.5
218.02042	1.9
219.02974	7.7
231.02893	1.6
231.99988	2.2
235.02502	6.9
242.99359	1.1
244.00081	1.0
245.00870	11.1
259.02570	1.2
259.99570	3.3
261.00360	30.9
262.00742	1.0
263.01898	1.8
270.98895	2.4
287.99054	1.6
288.99817	3.7
299.98895	1.0
300.99933	2.0
353.08725	5.1
363.03607	4.5
405.04608	7.2
414.46924	1.0
423.05508	5.1
433.04092	12.8
451.04938	2.2
575.06732	100.0
576.07074	7.5
603.06232	31.5
604.06421	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	647.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45024	0.7
59.01353	1.1
61.98819	0.9
71.01369	2.1
71.29269	1.6
83.54472	0.8
85.02943	1.5
87.00887	1.0
93.03465	1.5
95.01373	1.4
96.96006	1.3
100.51345	0.7
101.02425	1.0
103.20436	0.7
105.03433	3.3
107.01378	2.4
107.04987	0.9
109.02937	0.9
111.00861	1.2
113.02410	1.3
117.03417	1.5
119.05000	2.9
121.03009	0.8
122.03700	1.3
123.00012	0.8
123.00816	4.1
125.02450	10.1
133.02960	4.7
135.02960	1.6
135.04515	4.7
137.02397	1.7
139.00313	1.0
145.02954	4.8
146.03703	1.5
147.04506	4.6
148.01607	0.9
149.02417	2.0
151.00308	3.2
159.04437	1.0
160.01627	1.0
161.02441	15.3
162.03165	2.9
163.00366	4.2
163.04002	16.9
164.01106	0.7
165.01909	2.1
165.05569	2.0
166.99852	1.1
168.72937	0.8
169.01433	8.6
173.02396	5.9
175.04022	1.4
177.01875	2.7
187.00342	1.5
187.03998	1.6
188.01033	1.0
189.01926	15.2
190.02676	5.4
191.03502	40.5
191.05397	2.6
192.03746	1.1
193.01445	1.5
201.01912	1.4
203.03403	2.5
205.01398	2.2
206.02083	1.1
207.02893	2.8
209.04483	1.6
209.62083	0.8
214.99884	0.9
215.03445	1.3
216.00615	2.2
217.01398	11.0
217.04863	1.2
218.01990	1.5
219.02919	3.0
231.02922	1.6
232.00056	1.6
233.00919	1.9
234.01631	1.7
235.00249	1.4
235.02449	15.8
236.02892	1.1
245.00914	3.0
245.04477	1.1
259.02420	1.6
259.99612	1.5
261.00381	31.3
270.98770	0.9
277.03320	1.1
287.99011	1.5
300.99759	1.8
312.88980	0.8
319.04578	2.4
353.17236	0.8
363.03485	2.9
379.06665	1.4
391.03119	1.6
405.04611	10.7
423.05746	8.4
433.04147	3.8
451.05344	1.1
531.07867	1.2
535.95837	1.0
575.06738	100.0
576.07080	7.0
603.06293	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	647.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48764	1.7
65.09997	1.7
66.83555	1.7
69.23720	1.7
70.80250	3.8
70.80586	4.0
77.79613	1.7
81.03545	1.8
85.02978	2.6
93.03451	3.1
95.01388	3.5
105.03453	4.2
107.01398	8.7
108.02200	3.3
109.02948	2.2
111.00859	2.7
111.18484	1.8
111.70108	1.7
113.02425	2.6
117.03455	3.9
119.05022	8.3
123.00886	6.7
125.02453	29.9
133.02939	5.1
135.04532	19.3
137.02434	7.9
145.02995	10.7
147.04530	11.3
149.02469	3.7
153.01901	2.1
161.02428	20.7
163.00333	7.0
163.02737	3.3
163.04012	41.5
165.01944	4.2
165.05678	2.1
168.00613	1.9
169.01416	23.0
173.02472	9.2
177.01846	4.5
181.82729	2.2
187.00368	5.2
189.01924	19.6
190.02644	5.1
190.99825	3.5
191.03500	91.7
192.03925	2.6
201.01985	2.0
203.03508	2.3
207.03108	4.4
209.00798	6.1
209.04501	5.5
214.99796	6.6
216.00555	2.6
217.01358	15.2
218.99199	1.9
219.02974	5.5
232.00014	2.5
233.00990	1.9
235.02477	78.1
242.99409	2.9
244.03777	1.8
245.00867	2.6
247.02510	2.4
259.99557	4.1
261.00366	43.9
263.01981	2.8
270.98563	3.1
275.01913	4.1
279.01492	4.7
286.98492	3.7
298.98337	3.2
300.99893	7.0
361.05640	9.5
363.03763	3.8
379.06274	2.2
405.04691	13.5
423.05603	3.4
431.02371	5.2
449.03290	4.4
573.04706	2.6
575.06744	100.0
576.07245	6.5
601.04773	16.7
603.06207	4.0
648.76263	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.1
59.01372	9.6
61.98818	8.3
63.47166	2.0
63.71012	1.8
66.65930	2.3
71.01382	36.7
72.99286	5.3
73.02956	2.1
78.95881	2.9
83.01402	11.2
85.02946	5.1
87.00903	3.6
98.19876	4.8
99.00878	22.8
111.00877	19.3
112.98813	72.6
115.00357	8.5
124.98775	7.1
129.01924	7.0
142.99857	100.0
144.00220	2.8
145.01369	3.0
152.99576	2.8
160.84238	11.5
171.10266	2.6
173.00902	85.7
200.44493	2.2
229.69241	1.9
258.43790	2.0
266.90900	2.0
471.34753	44.2
472.35104	5.6
483.30893	3.2
585.34125	8.7
645.35016	4.2
646.16785	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	645.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45286	0.5
59.01379	100.0
61.98835	2.0
63.73791	0.6
65.49824	0.5
71.01384	1.3
77.20757	0.6
78.95891	1.0
98.19862	1.3
111.00866	0.6
111.19225	0.6
112.98830	1.5
135.03038	0.7
142.99866	2.1
154.21289	0.5
155.77861	0.5
173.00903	1.9
189.69691	0.5
229.43282	0.7
269.44995	0.6
297.45538	0.6
471.34760	2.5
507.44760	0.6
513.87762	0.7
631.74384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97375	0.2
57.80422	0.3
59.01381	0.8
60.16120	0.3
61.98829	100.0
65.81609	0.3
70.67833	0.8
71.01382	0.5
72.80689	0.3
85.02990	0.3
86.70396	0.3
101.02435	0.3
101.76910	0.2
107.01398	0.3
112.98624	0.3
113.02480	0.4
116.92819	0.3
119.04992	1.3
123.00861	0.4
125.02431	2.8
126.02789	0.4
133.02997	0.3
135.04581	0.4
161.02454	2.1
161.35576	0.3
162.02837	0.6
162.60640	0.3
163.03938	0.6
164.04312	0.4
165.01944	0.3
169.01442	2.5
170.01732	1.1
193.44223	0.3
201.11349	0.3
209.11826	0.7
210.12253	0.3
246.07045	0.3
257.08505	0.4
302.03848	0.4
352.78461	0.3
419.08917	0.8
494.21249	0.6
583.13647	1.7
646.22296	1.7
646.31018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17593	0.3
57.88758	0.3
59.01381	1.4
61.98829	100.0
65.00307	0.3
70.86252	0.6
71.01375	0.5
73.28752	0.3
85.02956	0.3
85.40223	0.3
95.14705	0.3
96.96048	0.6
101.02459	0.5
112.98517	0.3
113.02496	0.3
121.03033	0.4
123.00864	0.4
125.02460	1.0
137.02455	1.6
145.02980	0.6
150.03101	0.3
151.00357	0.6
161.02486	1.2
163.04103	0.3
168.00711	0.4
169.01440	1.1
187.07729	0.9
209.11870	1.0
227.13066	0.5
248.57167	0.3
257.08246	0.8
258.08578	0.4
271.06097	0.8
274.04190	0.3
328.42526	0.3
485.33194	0.6
602.27271	0.8
646.32184	0.6
647.30133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04201	1.3
54.52338	1.2
59.01376	5.5
60.99286	4.6
61.98827	9.8
65.36728	1.4
67.01901	12.8
69.03443	4.2
69.62961	8.2
71.01359	6.0
78.05183	1.5
79.95760	1.6
80.96516	4.3
81.03464	2.5
85.02950	6.1
87.00887	19.3
89.02454	1.8
93.03455	88.4
94.03816	2.1
95.01410	1.5
96.96013	24.3
98.93914	1.4
99.00856	1.8
104.95346	1.3
107.01375	2.6
109.02921	3.5
110.27315	1.3
111.04489	8.5
117.03482	7.1
119.05028	41.7
120.05317	1.9
123.00879	2.8
125.02406	8.3
129.01955	1.8
132.67635	1.4
139.00322	2.5
145.02954	30.5
151.00336	3.2
153.01823	2.0
155.03511	2.9
161.02415	5.4
161.06128	1.5
163.04001	30.8
168.00671	2.9
169.01399	11.5
170.01768	2.3
173.04523	22.7
191.05600	100.0
192.05960	2.5
234.81375	1.6
243.03001	2.2
255.02795	7.5
267.14920	1.6
271.02466	10.8
279.99194	1.5
285.03860	1.7
300.02759	18.9
301.03564	5.4
307.07962	3.3
337.09329	10.1
379.10269	1.9
463.08780	2.1
499.14578	53.9
500.14511	2.1
582.18964	16.6
583.10901	23.5
645.18256	98.2
646.18024	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	645.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04201	1.3
54.52338	1.2
59.01376	5.5
60.99286	4.6
61.98827	9.8
65.36728	1.4
67.01901	12.8
69.03443	4.2
69.62961	8.2
71.01359	6.0
78.05183	1.5
79.95760	1.6
80.96516	4.3
81.03464	2.5
85.02950	6.1
87.00887	19.3
89.02454	1.8
93.03455	88.4
94.03816	2.1
95.01410	1.5
96.96013	24.3
98.93914	1.4
99.00856	1.8
104.95346	1.3
107.01375	2.6
109.02921	3.5
110.27315	1.3
111.04489	8.5
117.03482	7.1
119.05028	41.7
120.05317	1.9
123.00879	2.8
125.02406	8.3
129.01955	1.8
132.67635	1.4
139.00322	2.5
145.02954	30.5
151.00336	3.2
153.01823	2.0
155.03511	2.9
161.02415	5.4
161.06128	1.5
163.04001	30.8
168.00671	2.9
169.01399	11.5
170.01768	2.3
173.04523	22.7
191.05600	100.0
192.05960	2.5
234.81375	1.6
243.03001	2.2
255.02795	7.5
267.14920	1.6
271.02466	10.8
279.99194	1.5
285.03860	1.7
300.02759	18.9
301.03564	5.4
307.07962	3.3
337.09329	10.1
379.10269	1.9
463.08780	2.1
499.14578	53.9
500.14511	2.1
582.18964	16.6
583.10901	23.5
645.18256	98.2
646.18024	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	645.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71131	0.6
57.03427	0.7
57.25121	0.6
59.01361	2.6
60.99301	4.2
61.98795	0.6
65.03980	0.8
67.01885	11.6
69.03436	2.4
69.31057	1.7
69.31467	4.3
71.01376	4.0
75.54700	0.6
81.03441	1.6
83.05026	1.5
85.02947	1.7
86.46918	0.7
87.00874	17.1
93.03457	79.1
94.03799	1.3
96.95969	0.8
97.76444	0.8
99.00870	2.0
107.01414	1.3
109.02921	1.0
111.04528	9.8
117.03462	5.1
119.05025	33.9
120.05344	1.6
123.00853	1.1
125.02441	9.1
129.01878	2.1
133.02925	3.1
135.04538	7.4
145.02948	25.1
149.06010	1.5
151.00371	1.1
155.03477	2.8
161.02441	11.7
161.81779	0.7
163.04007	29.2
169.00000	1.0
169.01419	14.9
172.66521	0.7
173.04536	22.2
175.03940	0.8
177.05499	1.6
179.03490	11.6
191.05603	16.7
192.05972	0.8
203.03531	1.6
211.02469	2.1
221.04593	3.3
251.05521	3.3
271.04556	1.7
281.06726	4.7
282.07147	1.0
307.08267	6.1
313.05640	3.5
323.07739	2.0
341.08929	1.6
465.06815	3.8
471.13095	6.8
472.13214	0.8
475.08813	10.0
476.09323	1.0
493.09827	22.3
494.10236	3.0
590.46637	0.7
645.18262	100.0
646.18738	12.1
646.29102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42855	0.4
56.31903	0.5
59.01375	2.9
61.98833	1.9
67.01882	1.1
68.99810	0.5
69.37231	0.4
71.01365	0.6
79.75659	0.4
93.03460	4.9
96.96003	0.5
98.19846	0.9
104.66452	0.5
108.02182	0.8
109.02950	4.4
117.89822	0.5
121.02939	0.8
123.00877	1.6
123.04554	0.6
124.01687	0.7
125.02452	1.7
133.03012	0.6
135.04533	0.8
136.01646	2.9
137.02443	31.2
145.03044	0.6
148.01744	0.6
149.02420	1.6
149.99529	0.6
150.03204	3.3
151.00359	5.5
151.04004	3.9
152.01195	1.1
152.04776	1.5
153.01917	1.3
159.04514	0.7
162.03249	1.1
163.04051	0.6
164.01094	2.0
164.04802	0.7
165.01927	100.0
165.05586	5.8
166.02701	15.5
167.03477	1.8
169.01416	0.8
173.02480	0.7
175.04034	1.6
176.04584	0.5
177.01920	1.2
177.05603	0.8
178.02626	0.9
179.03496	22.2
179.06989	0.7
180.04276	55.9
181.05060	20.7
184.03975	0.7
187.03969	1.8
190.02623	0.7
192.04320	0.9
193.04994	1.4
193.71106	0.5
194.05838	3.6
195.03003	3.0
195.06618	75.9
196.06915	2.4
205.05034	5.1
206.05670	0.7
207.06561	0.8
210.05302	13.3
211.05797	0.6
219.06639	0.5
220.07385	2.6
221.08163	1.0
225.07674	48.3
226.08000	1.6
235.09744	1.2
311.09229	0.5
314.95715	0.5
339.08624	0.7
343.11877	0.7
352.81076	0.5
359.11325	2.3
371.11298	1.1
372.12027	0.6
373.12845	1.4
386.13483	1.2
387.09927	3.1
387.14886	6.7
402.13214	1.8
403.13861	1.7
416.14752	1.6
417.15494	25.5
418.15707	1.5
421.29373	1.0
525.19379	0.6
565.20050	3.4
577.20746	0.7
580.19434	1.4
595.21838	38.5
596.22168	4.9
643.22705	4.4
644.23877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.3
61.98829	40.4
68.99862	0.9
71.01382	2.4
79.01868	0.8
85.09453	0.9
85.81951	0.9
93.03468	1.1
95.01358	1.9
97.02946	1.4
107.01382	16.5
109.02946	1.3
117.03469	2.6
119.05028	40.1
121.02953	7.1
121.28854	1.0
123.00883	8.8
125.02448	64.8
126.02760	2.9
133.06529	1.7
133.62883	1.0
135.04515	3.3
136.05272	2.3
137.02432	5.1
139.00356	4.1
140.01147	1.2
145.02962	8.9
151.00400	7.4
151.03978	1.2
153.01930	1.4
159.04448	1.9
161.02437	4.7
161.06116	2.7
163.04015	38.3
165.01941	21.0
165.05516	1.5
166.02301	3.4
168.00554	1.3
169.01419	100.0
170.01758	2.9
175.03925	1.1
179.03476	3.3
180.04285	9.2
181.04742	3.7
187.03983	4.1
195.06612	15.2
196.06934	4.0
210.05249	1.7
211.02469	1.7
225.07675	10.4
226.07996	4.1
295.04599	3.6
315.02618	1.3
329.23291	1.8
361.28659	1.0
388.51010	0.9
417.08261	44.2
418.08539	3.2
418.15619	1.8
481.35165	3.6
482.35776	2.0
493.20633	1.3
581.12927	74.0
582.13324	8.3
596.22205	1.0
643.29053	7.3
644.20032	1.7
644.29822	6.4
645.21661	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59520	0.8
55.54832	1.0
59.01369	3.3
59.69736	0.9
71.01364	2.5
85.02943	5.8
87.00889	1.8
89.02386	1.7
93.03440	3.8
97.02948	1.1
117.50899	1.1
125.02387	1.4
127.04015	1.2
135.04472	1.1
137.02451	1.5
160.49463	1.1
161.02368	2.0
163.04025	2.0
165.01883	1.9
183.07497	1.0
191.05602	100.0
192.06056	2.0
229.01425	1.1
300.99802	2.8
353.08716	11.8
369.74274	1.1
392.67001	1.0
643.18286	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	643.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
59.01377	12.3
61.91169	2.0
61.98833	55.4
63.78074	2.3
71.01370	8.2
83.01392	2.8
85.02956	3.2
88.98778	5.3
89.02422	4.2
93.03436	9.4
95.01372	3.0
96.96003	3.5
101.02425	2.6
109.02931	5.1
113.02441	2.7
117.03479	2.8
117.08974	2.0
121.02957	100.0
122.03753	4.6
123.04565	4.4
124.01674	3.9
125.02454	35.9
133.02951	5.1
135.04503	3.1
135.69342	2.1
137.02432	30.4
149.02435	9.9
150.03241	28.5
151.00421	10.0
151.03981	5.2
152.01111	3.0
153.01884	3.8
155.37421	2.0
158.10939	2.0
161.02477	14.6
161.04575	2.5
164.01091	2.6
165.01933	78.4
165.05560	29.5
166.02727	11.7
167.03416	3.5
168.00676	2.5
169.01436	39.8
177.01929	3.7
179.03487	20.8
180.04279	47.4
181.05054	15.8
187.04008	2.7
187.07666	3.2
195.02792	3.6
195.06604	73.6
205.04860	4.8
209.11879	3.7
210.05319	8.2
216.28407	2.5
225.07695	43.0
228.99544	2.3
247.63782	2.1
257.08212	2.6
273.07825	3.4
298.48740	2.4
338.84286	2.2
341.06641	2.6
387.14380	7.4
417.15439	20.0
462.07040	2.3
473.18115	9.4
487.10321	2.4
521.20477	4.9
565.20618	3.1
580.20197	2.5
580.28632	14.1
595.13409	3.3
595.21863	35.5
596.22028	4.7
599.25128	3.7
611.15430	2.7
643.30261	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13571	0.7
59.01360	2.2
61.98819	0.9
67.01878	0.5
67.32958	0.7
69.36890	4.5
71.01369	1.7
71.05019	2.4
77.03960	0.9
83.01391	1.4
89.02401	0.7
93.03462	2.9
95.05025	1.9
97.02942	9.5
101.02422	1.0
106.90054	0.7
109.02953	7.0
119.05048	3.0
121.02968	4.5
123.00910	0.7
125.02431	1.1
137.02435	19.0
139.04012	61.1
140.04324	0.7
145.03003	1.0
153.01927	16.3
154.02306	0.7
161.13718	0.6
163.03981	3.5
165.01926	100.0
166.02243	1.7
183.02992	5.4
191.05617	4.5
195.02959	0.8
255.05159	0.8
300.99844	1.2
315.07306	2.5
327.07037	3.8
345.08234	80.8
346.08627	3.8
353.05273	0.8
463.08838	2.5
481.10028	5.2
483.33807	0.8
571.87671	0.7
643.18561	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94812	1.2
59.01373	5.7
61.98832	21.1
71.01376	5.4
73.02940	2.0
75.00861	3.7
79.95724	1.3
81.03439	2.1
83.01366	1.5
83.05050	2.8
83.80913	1.5
85.02964	1.6
88.98762	1.6
89.02433	1.8
93.03452	22.2
94.43515	1.7
96.49181	1.1
96.96003	10.0
98.19893	2.9
101.02456	2.6
109.02948	1.9
111.04497	7.5
117.03474	2.5
119.05028	81.2
120.05332	1.8
121.02946	1.7
125.02386	3.4
129.01897	1.2
132.02174	2.1
133.02959	29.3
135.04517	21.4
137.02448	20.0
139.04015	3.1
145.02940	10.6
149.06018	1.6
151.90536	1.2
155.03513	12.4
161.02441	100.0
162.02774	2.7
163.04005	63.9
164.04314	1.9
167.03371	1.3
169.01437	4.5
177.04176	2.2
177.05586	3.7
179.03493	18.6
183.13823	1.7
195.05008	2.2
203.03496	1.7
221.04495	4.3
237.59946	1.2
255.03000	1.6
285.03906	3.8
300.99802	2.0
301.03152	1.5
319.08243	22.1
320.08621	1.5
323.07727	24.6
443.13684	2.6
481.13519	51.9
482.13681	3.2
487.12488	79.0
488.12906	8.0
491.11957	2.5
642.26678	3.0
643.16492	16.2
643.27203	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	641.3904
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
53.53122	0.4
55.25327	0.4
57.03455	0.6
59.01367	1.2
61.98835	3.0
71.01375	0.9
71.05029	0.4
83.05013	0.4
85.02972	0.7
87.16719	0.4
88.98798	0.9
107.05025	0.6
109.02964	0.6
109.06609	0.4
111.04543	1.3
113.02436	0.5
116.77832	0.5
121.06626	2.9
122.03760	0.7
123.08171	0.6
125.02449	0.6
135.04520	1.9
136.05299	45.8
137.02382	0.9
137.05814	0.4
138.03320	0.5
139.03999	0.4
143.50963	0.4
146.92029	0.5
147.08154	1.2
148.05304	1.4
149.06068	8.2
150.06871	5.5
155.10732	0.5
159.29630	0.4
162.06848	1.3
163.07660	2.2
164.04816	0.6
164.08455	2.1
165.09204	53.2
166.09543	1.6
195.10257	1.3
199.93248	0.5
209.11836	0.9
211.13376	0.6
229.44548	0.4
257.84354	0.4
311.25842	1.0
313.23834	21.9
314.24203	1.6
435.22537	0.5
443.31738	0.8
460.31641	0.4
461.32748	9.3
462.33142	0.9
478.32980	7.4
479.33783	38.1
480.34042	3.3
493.35229	1.9
521.34534	0.9
641.39026	100.0
642.39423	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	641.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72008	0.2
59.01375	1.6
61.98829	1.2
65.20010	0.2
69.03455	0.4
71.01379	1.7
71.53186	0.3
73.02940	0.3
78.95893	0.5
83.01399	0.2
83.05000	0.4
85.02946	0.4
87.00851	0.4
89.02435	0.9
101.02433	1.4
113.02440	0.5
116.92812	0.3
119.03511	0.2
121.02964	0.3
125.02435	0.2
136.12611	0.2
137.12709	0.2
145.05162	0.2
152.99722	0.2
161.04543	0.9
165.12823	0.5
167.14349	0.5
179.05638	0.3
183.13899	6.9
193.12337	1.6
209.11853	0.3
211.13387	100.0
212.13722	3.5
235.08223	1.4
253.09262	3.5
264.92441	0.2
387.25543	0.5
405.26312	0.4
429.21259	0.7
441.76413	0.2
447.22305	4.4
448.22668	0.2
623.34515	0.9
641.33942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46385	0.9
54.33952	0.9
54.60564	0.9
57.03447	4.8
57.03691	0.8
59.01377	16.0
59.82574	0.9
61.98831	9.0
69.03445	1.3
71.01381	17.1
72.99305	3.0
73.02943	1.6
74.55820	0.9
75.00871	43.4
83.01390	2.6
83.17557	0.8
85.02462	1.4
85.02951	11.8
87.00874	9.5
87.04504	1.1
88.98807	2.9
89.02441	5.2
93.03455	1.2
95.01373	1.2
97.02951	2.9
98.19885	3.3
99.00892	7.9
101.02444	5.3
107.01337	1.2
111.00887	2.9
113.02460	2.9
116.92829	1.1
119.03488	1.4
121.02931	1.4
123.00917	1.5
125.02449	1.8
129.01949	19.3
133.02908	1.9
135.03029	1.1
135.04474	2.4
141.01889	4.2
145.02939	1.8
151.00366	3.1
158.14323	0.9
159.02986	7.9
159.04214	1.2
161.02429	4.2
161.04498	1.6
163.04016	1.6
165.12848	7.7
167.32726	0.9
169.01399	3.1
174.87360	0.9
177.04042	37.3
178.04433	1.4
179.03435	1.5
183.13893	36.4
184.14182	1.5
195.05092	21.7
195.06769	1.9
207.13939	1.7
227.12860	2.5
229.05096	2.0
251.12866	1.9
253.09279	2.7
255.02960	1.5
257.04517	1.9
284.03180	1.7
285.04047	27.8
285.25989	0.9
286.04346	1.8
323.07596	2.5
355.06589	4.4
405.79257	1.1
445.20657	3.7
445.26147	1.0
463.21823	16.1
487.21707	1.0
537.40924	1.1
544.93512	1.0
562.07013	1.0
605.24304	5.6
641.26556	100.0
642.26782	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	641.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83724	1.0
61.98833	2.6
65.82979	0.9
75.65507	1.1
78.95905	100.0
79.06313	1.1
81.03455	1.3
82.84393	1.3
83.05030	4.9
94.55730	1.1
96.96947	9.1
98.20786	2.0
117.19110	1.2
152.99580	60.0
163.11301	3.8
165.12827	3.7
171.10300	1.3
199.13388	2.2
209.11816	63.3
210.12152	1.9
216.92461	1.3
227.12904	14.2
233.30363	1.2
251.20013	1.8
277.21719	38.4
278.22134	1.5
363.12134	49.4
364.12622	1.7
381.13193	11.6
413.20999	10.5
431.22128	6.3
641.34637	37.1
642.35168	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70961	0.7
61.98833	6.8
67.33238	0.8
69.41249	5.5
70.99393	0.8
76.67599	0.6
78.95903	100.0
81.03453	0.8
83.05017	2.7
95.05035	0.9
96.96962	7.3
113.86726	0.7
115.11710	0.7
116.92076	1.3
116.92852	12.6
117.92863	3.5
122.79235	1.0
131.68846	0.8
134.98521	1.1
149.81471	0.8
150.97987	0.9
152.99582	56.4
163.11267	2.1
165.12810	1.2
171.00684	0.9
174.66119	0.7
177.57614	0.8
179.04285	0.8
191.10786	0.8
209.11823	29.8
227.12904	7.4
233.22522	0.8
267.83945	0.8
277.21713	61.1
278.22079	3.2
279.22415	0.8
363.12106	19.9
379.56790	0.9
381.12943	2.4
413.20969	23.9
414.21161	1.0
431.22021	11.4
514.20093	1.1
529.22485	12.7
530.23248	1.8
573.21185	1.1
641.34534	38.2
642.35229	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	641.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59138	0.8
59.01379	6.9
70.53015	2.9
71.01378	2.3
75.00865	6.8
87.00839	1.1
89.02434	2.4
90.14398	0.7
93.03455	48.3
101.02447	1.7
113.02464	1.0
117.01981	1.9
117.89277	0.8
119.05015	3.1
121.02953	66.6
122.03247	0.9
135.02994	22.9
137.02440	100.0
138.02760	3.3
161.02419	1.2
163.04007	2.7
181.05058	55.9
191.05594	1.9
281.06598	5.4
281.16446	1.0
299.07700	42.5
300.08167	1.2
341.10986	1.0
594.26440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24833	0.6
56.31604	0.6
58.67146	0.6
59.01374	2.2
61.98832	6.6
64.19214	0.5
64.53131	0.6
65.00307	0.6
67.01878	1.0
68.30421	0.7
69.03450	1.5
69.98846	2.8
71.01387	2.5
79.01891	1.4
81.03429	0.8
88.98832	0.9
89.02410	0.8
89.03984	0.6
93.03461	2.2
95.01373	1.6
97.02956	1.4
99.96682	0.6
102.02779	0.6
107.01386	20.0
108.02214	0.6
109.02979	1.6
109.03723	0.6
111.00862	1.4
119.05038	1.0
121.02954	22.0
123.00882	9.8
124.01692	1.6
125.02447	61.9
126.02782	0.8
132.02177	1.3
133.13405	0.6
135.04518	2.5
136.98816	0.8
137.02448	4.1
139.00348	2.4
139.03978	1.9
140.01132	1.2
141.01965	1.2
145.02895	0.8
147.04555	2.8
149.02435	50.9
150.02802	1.7
151.00385	5.9
151.03981	1.2
152.01164	0.9
153.01971	1.1
159.82443	0.6
161.02399	1.5
163.04004	2.3
164.04784	34.7
165.05417	0.9
167.03436	1.3
168.00635	5.3
169.01419	100.0
170.01776	1.9
174.01630	1.2
175.00378	2.1
179.03490	1.1
179.07149	4.7
181.05048	2.2
182.05370	1.0
183.02957	14.1
190.02702	4.8
191.03500	2.9
193.01421	1.4
205.05035	4.0
206.05864	1.6
208.03760	3.8
210.51582	0.6
217.01453	1.1
221.08134	1.1
223.06096	44.7
224.06438	2.2
232.03799	2.0
237.07716	0.7
247.06169	2.8
265.07239	1.0
295.04517	2.9
329.23288	1.2
417.08231	59.9
418.08472	4.0
425.72165	0.6
457.11362	2.3
495.14786	0.8
641.15161	25.1
641.27826	3.0
642.15814	2.0
645.98694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09329	1.1
59.01379	6.2
71.01366	4.4
85.02962	1.8
87.00844	1.3
89.02442	3.3
91.79947	1.2
93.03451	27.6
101.02406	1.5
119.04928	1.4
125.02461	2.4
130.57100	1.2
133.02956	21.9
135.02982	2.1
135.04529	11.1
137.02435	53.2
138.02768	1.9
149.06126	1.7
161.02441	100.0
177.05547	2.5
179.03497	25.6
180.03767	1.3
191.05605	4.8
194.48845	1.3
199.03845	2.3
203.03542	3.0
210.83662	1.6
221.04489	3.8
251.05408	1.8
272.69235	1.4
281.06662	6.0
299.07718	11.4
300.99927	3.6
341.08755	58.1
342.09009	2.9
343.71390	1.5
449.09000	1.7
468.35159	1.5
469.36295	1.3
479.11911	3.0
641.13965	2.0
641.23358	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	639.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94228	0.5
58.34051	0.5
58.91430	0.5
59.01378	3.2
69.73950	3.2
71.01377	1.8
72.85477	0.5
72.99303	1.6
75.00871	19.9
87.00885	0.8
89.02426	3.9
91.32247	0.5
99.00874	0.7
117.01934	1.6
119.42935	0.6
131.88281	0.5
133.02928	0.9
135.02995	100.0
135.04469	6.9
161.02443	3.7
169.01454	0.8
179.03525	5.0
191.05627	2.0
297.06122	20.5
298.06372	0.8
384.30560	0.5
407.48621	0.6
568.18005	0.6
629.36932	0.7
638.33289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44875	2.1
59.01381	11.9
59.74319	2.4
61.98832	9.7
71.01373	4.6
71.53860	3.0
78.51809	1.9
85.02953	3.9
86.00085	3.1
100.14350	2.1
101.02441	8.4
127.56814	2.5
131.03491	6.7
132.00851	2.2
133.80098	2.4
140.84500	2.1
159.13075	2.1
195.20895	2.2
197.99426	2.1
246.39433	2.1
298.69675	2.1
334.39236	2.1
351.64041	2.2
352.25885	2.1
391.73309	2.1
603.39026	100.0
604.39258	12.2
639.24805	4.0
639.36523	43.4
640.36469	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3747
Annotation	Cilistol j
Peak:m/z	Relative Intensity
59.01366	3.1
61.98828	10.5
68.34541	0.7
71.01374	1.9
71.52774	0.8
71.53448	0.9
78.95905	8.2
85.02954	0.8
88.98856	1.0
95.01424	0.8
96.96012	1.2
101.02451	0.9
107.05085	0.8
111.04531	1.5
113.02376	1.4
116.92850	1.3
121.02910	0.9
121.06589	2.6
125.02516	1.0
126.43615	0.6
135.04521	2.5
136.05299	46.4
137.02408	2.5
140.88054	0.7
147.08180	1.8
148.05312	2.0
149.06085	8.2
150.06898	5.0
152.99640	3.8
161.02397	1.5
162.06850	1.5
163.07634	2.1
164.04631	0.9
164.08424	1.5
165.09206	50.8
169.01454	0.9
189.09196	1.0
209.11794	6.7
211.13391	6.0
227.12889	1.0
309.24640	0.8
311.22260	23.2
363.12238	1.7
379.15421	1.1
395.14597	1.0
410.71048	0.7
459.31281	8.8
460.31500	0.8
476.31155	4.5
477.32184	40.1
478.32520	3.9
491.33771	1.8
519.33252	1.4
575.26398	2.8
607.28955	2.8
621.33551	1.0
639.37555	100.0
640.27002	1.3
640.37823	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	639.1355
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
57.03459	0.7
59.01371	7.9
60.99305	0.9
61.98837	3.3
63.02371	1.5
65.00320	4.8
69.63266	2.6
71.01067	0.4
71.01376	5.0
72.99284	0.4
73.02950	3.9
76.91457	0.4
79.00672	0.4
79.85331	0.4
81.03461	0.5
83.01386	3.9
85.02941	1.3
87.00861	0.7
88.98802	7.6
89.02451	2.6
93.03474	1.7
95.01392	0.9
97.02950	0.4
98.19897	0.9
101.02444	3.5
107.01388	8.7
108.02164	0.8
109.02961	2.9
113.02438	1.2
116.92828	1.2
117.03450	2.9
119.03481	1.0
119.05019	3.6
121.02944	3.6
123.00851	0.5
123.04489	0.5
124.01644	0.7
125.02428	1.6
131.01416	0.6
131.03474	0.5
132.02179	1.2
133.02969	5.3
134.03723	2.1
135.00845	0.6
135.03009	1.0
135.04523	9.2
135.11783	0.5
137.02440	1.1
139.04025	0.6
143.03542	0.5
145.02946	8.9
147.04526	0.6
147.08144	3.5
148.01671	0.7
149.02428	1.2
149.06104	3.2
151.00363	30.4
151.07617	0.4
152.00754	0.4
153.01944	0.4
159.04498	1.1
160.01653	5.4
161.02434	20.0
161.06100	0.8
163.00385	1.1
163.04002	5.1
164.01132	0.9
165.01974	0.7
167.45773	0.4
169.01439	1.5
173.53827	0.6
175.00348	3.4
175.04004	4.0
177.02026	0.7
177.05557	2.3
178.99873	6.0
179.03491	10.2
179.05632	0.7
183.02980	0.9
183.04468	0.8
187.03937	1.3
189.02049	0.4
193.01344	1.0
193.05040	1.3
201.05545	0.6
202.79068	0.4
203.03412	1.2
205.05171	0.6
211.03925	0.9
215.03383	0.5
217.05049	0.5
219.02893	0.8
221.04488	2.7
227.03461	1.6
229.04825	0.5
233.04485	0.7
237.04044	1.1
243.02925	2.0
245.04428	0.6
251.05586	3.0
255.02974	3.5
256.03622	0.5
271.02441	5.1
272.02884	0.7
273.04214	0.7
281.06577	3.5
283.02341	0.7
284.03214	0.6
285.04007	0.6
299.01886	0.8
299.16504	0.7
300.02713	18.8
301.03503	100.0
302.03824	4.5
315.05075	11.7
316.05353	0.6
323.07706	9.2
324.07880	0.5
337.05502	1.5
337.09161	0.7
341.08719	5.2
343.04480	0.9
356.61890	0.5
453.59055	0.5
459.27426	1.9
463.08813	3.4
475.08899	0.7
477.10495	0.5
479.22705	0.6
487.12323	13.5
488.12866	1.2
489.10150	2.2
517.09967	3.9
521.23950	13.0
549.23438	1.1
603.13770	1.2
639.13580	36.9
639.26544	6.1
640.13721	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	639.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.8
59.08537	0.6
61.70273	0.7
61.98836	2.6
63.02396	1.0
65.00330	2.2
69.46421	4.1
71.01389	5.7
73.02953	0.7
75.58135	0.6
83.01406	1.2
85.02957	1.4
88.98788	3.6
89.02451	2.9
93.03450	0.9
99.04505	4.0
101.02451	2.8
107.01400	3.1
108.02200	2.8
109.02957	2.4
113.02431	1.2
117.03488	3.0
119.03517	1.7
119.05053	2.0
121.02979	2.1
123.00912	0.7
125.02425	3.1
131.03453	0.7
133.02940	5.5
134.03760	0.8
135.00864	1.2
135.04543	5.8
135.08185	1.0
137.02455	1.5
145.02966	10.3
148.01662	1.8
151.00363	10.5
152.01163	0.9
153.01927	0.8
159.04497	0.8
160.01636	0.9
161.02429	15.4
163.00374	2.5
163.04027	2.6
167.06982	0.8
169.01411	3.6
175.04053	1.8
177.05537	1.2
178.99858	5.0
179.03467	7.8
179.05089	0.9
190.99982	0.9
191.14386	1.0
199.03963	1.3
203.03506	1.0
215.03389	1.2
221.04495	2.1
226.02728	1.3
227.03415	4.0
235.13368	4.8
243.02979	11.7
244.03520	1.4
244.67484	0.6
245.04398	1.2
246.28517	0.7
249.74339	0.6
251.05545	1.8
254.02229	2.4
255.02959	27.8
256.03342	1.1
271.02448	57.6
272.03049	4.3
273.03992	1.2
281.06635	2.4
299.02045	2.3
300.02728	100.0
301.03461	34.6
302.03757	1.6
314.04361	1.2
315.05069	3.6
323.07742	4.2
341.08597	2.8
459.09363	1.5
459.27487	5.3
463.08804	45.2
464.09085	4.5
477.10248	2.3
477.21487	0.9
487.12463	12.3
487.99188	0.7
488.12616	1.3
521.23962	1.3
617.92828	0.6
639.13440	49.6
639.25140	2.1
639.34338	2.4
640.13727	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	637.3954
Annotation	23-O-beta-D-Glucopyranosyl-2-epi-25-methyldolichosterone
Peak:m/z	Relative Intensity
55.01863	2.4
57.03445	1.9
58.00597	1.0
59.01382	13.4
60.37571	0.5
61.98829	5.1
68.99806	0.5
69.03474	0.6
71.01385	16.1
72.99304	1.5
73.02948	6.6
75.00871	3.3
83.01386	5.6
85.02947	9.4
86.00111	1.1
87.00880	2.3
88.98798	2.3
89.02432	3.2
93.03458	1.2
95.01385	1.7
96.95994	1.6
97.02998	0.7
99.00871	2.3
101.02442	13.4
109.03003	0.8
111.00866	1.9
113.02457	6.2
116.92862	1.4
118.98058	1.6
119.05028	1.1
121.02919	1.1
123.00884	0.6
125.02435	1.5
129.01955	1.5
133.02943	1.2
135.03011	2.8
135.04521	3.8
136.04875	1.2
137.02449	1.6
137.06076	0.9
141.01952	0.7
145.02908	1.0
146.98082	0.6
159.02959	1.4
160.01682	0.8
161.02437	3.8
161.04561	1.4
163.04050	1.3
169.01582	1.2
175.04024	2.5
177.04004	1.4
179.03497	3.0
180.03830	1.0
181.05070	1.8
191.05646	1.1
195.04979	0.6
224.96994	0.6
285.04111	1.4
323.07758	0.7
337.09412	1.1
389.25439	6.4
404.59351	0.8
409.31284	3.6
411.29593	0.7
415.18311	0.7
433.14539	0.7
475.34320	4.7
485.16809	1.8
593.24280	0.8
637.39557	100.0
638.39923	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	638.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48314	0.7
54.27349	0.5
59.01377	1.9
61.98831	100.0
77.35540	0.5
78.95901	6.0
123.14864	0.6
140.25587	0.7
152.99606	2.4
154.00015	1.0
196.62009	0.6
197.11853	2.7
202.12045	0.7
255.23404	2.0
256.23676	1.7
277.21887	2.8
315.14511	0.8
382.99326	0.6
575.35779	9.0
576.35968	0.8
620.37006	1.6
638.27185	1.4
638.38208	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	639.1203
Annotation	Quercetin 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
59.01373	3.3
59.18130	0.7
59.57688	0.8
65.00319	1.9
71.01372	4.4
71.51569	0.8
71.51955	1.1
75.00864	2.8
78.32887	0.8
80.57955	0.8
83.01384	2.3
85.02964	2.6
87.00880	1.5
89.02408	1.9
93.03448	2.8
95.01382	1.9
97.02927	1.4
101.02414	1.0
107.01385	5.3
109.02956	4.3
111.00865	1.3
111.04546	3.7
113.02435	2.1
121.02943	2.3
123.00898	5.3
123.04537	1.4
125.02435	8.2
131.36183	0.9
135.02992	9.1
135.04535	3.3
137.02444	2.4
139.00325	1.1
145.02916	1.0
149.02393	1.2
151.00368	17.4
151.03987	0.9
153.01964	1.0
155.03497	2.8
159.04482	0.8
161.02441	1.3
163.00331	1.1
164.01163	1.0
165.01865	1.0
168.00688	1.2
169.01421	14.8
173.04501	1.4
175.00351	1.8
175.02487	1.4
177.01831	1.2
178.99863	2.8
179.03474	2.8
180.02747	0.9
187.04031	1.3
191.05537	0.9
193.01323	0.9
202.61203	0.8
203.07057	0.8
211.02426	2.0
211.04176	0.9
217.01370	1.2
227.03503	1.5
243.03041	1.6
245.08160	0.9
255.02945	3.2
271.02463	2.9
275.01932	1.3
281.06619	1.0
289.07135	5.3
297.12097	1.0
300.02637	8.5
301.03500	100.0
302.03873	4.0
313.05966	1.0
323.02283	0.8
331.06693	3.5
343.04727	1.2
447.09106	1.3
463.08789	59.7
464.09061	5.1
469.09811	5.7
487.10904	21.5
488.11417	0.9
517.14429	3.0
607.17773	1.5
639.11853	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	637.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40888	2.0
57.03445	4.7
59.01382	89.9
69.03432	2.3
71.01010	3.7
71.01384	51.0
71.52364	3.6
71.52729	3.0
73.02930	10.3
75.00860	7.4
83.01382	6.7
85.02929	20.8
87.00876	7.8
89.02449	31.9
93.03455	5.5
95.01396	6.2
96.96014	22.0
99.00845	4.5
101.02443	35.1
107.94462	2.7
113.02445	24.6
119.03511	16.3
119.05009	14.9
121.02995	2.6
123.00845	5.1
124.01604	3.4
125.02399	13.3
131.57449	2.3
133.02913	5.3
135.02972	14.5
135.04500	7.5
143.03494	3.8
147.60811	2.5
159.02954	2.3
161.02408	17.0
161.04552	6.8
163.04013	34.0
164.04315	3.3
169.01379	10.6
169.02667	2.3
170.01816	2.9
173.04475	4.6
179.03416	3.4
179.05582	5.9
191.05641	26.9
265.70050	2.9
271.02560	2.8
281.06586	6.0
299.01743	3.2
313.49121	3.0
355.10190	11.1
371.20737	3.9
389.21542	4.4
428.64542	3.0
445.11771	2.9
533.26044	100.0
534.26208	8.0
551.27081	78.1
593.28369	23.6
624.43427	2.6
637.09460	8.0
637.17657	3.2
664.35846	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	637.3
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	72.7
61.98833	73.5
71.01382	40.2
71.53237	17.0
71.53593	13.7
78.95895	19.4
89.02448	44.7
101.02444	28.3
111.79516	13.0
113.02412	20.9
119.03548	18.7
121.03014	15.4
125.66013	11.4
136.14517	12.7
144.18773	11.2
145.02983	32.8
179.05632	27.8
215.03178	14.1
277.21771	100.0
323.09668	28.5
341.10815	89.6
601.32452	27.7
637.29803	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	635.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
67.25710	0.4
67.40652	0.4
70.25391	1.6
71.01385	2.9
86.79150	0.5
89.02446	4.2
89.31361	0.4
91.80251	0.5
98.19949	0.5
99.45628	0.4
101.02464	1.5
107.40491	0.4
108.12858	0.4
111.88967	0.4
113.02480	1.0
113.41096	0.4
119.03512	1.7
149.04562	0.5
179.05612	0.5
199.45042	0.4
313.76392	0.5
494.03702	0.5
522.54938	0.4
664.67224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2661
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
58.51001	0.8
59.01384	1.0
61.98809	2.4
71.01389	1.0
71.53748	1.2
78.95882	1.8
89.02419	1.1
102.27213	0.9
116.92863	1.8
285.03931	1.0
431.14487	1.0
432.15781	1.3
433.16443	7.2
434.17126	5.7
447.18250	9.8
448.19119	9.3
449.19626	5.1
457.32950	3.0
461.20126	1.7
462.20682	9.0
463.21448	6.2
475.17612	2.5
476.18451	1.0
477.19513	1.9
489.19406	1.5
492.18115	1.8
493.18637	2.8
506.19513	3.9
507.20486	6.4
521.22235	17.8
535.20007	3.1
536.20416	1.2
550.22284	2.9
551.22974	3.6
577.24512	2.8
578.24817	1.1
581.28259	1.0
593.24316	1.5
594.24500	1.2
597.09314	1.1
608.26404	15.8
609.26868	6.4
622.24316	3.4
637.26611	100.0
638.26807	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	637.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
60.38955	1.0
61.98824	2.0
71.01376	1.1
71.52980	1.1
78.95928	2.0
89.02417	1.0
107.35020	0.8
116.92838	1.3
123.00983	0.9
134.06264	0.9
135.93474	0.8
165.23853	0.8
421.20187	1.0
431.18805	1.2
433.16479	7.1
434.17416	3.8
447.18066	6.7
448.18823	7.8
449.19653	2.8
457.33139	3.7
461.20361	1.4
462.20688	10.1
463.21320	4.0
475.17831	3.9
476.18063	1.5
477.19211	1.5
489.19543	1.9
493.18747	2.0
506.19339	2.9
507.20416	4.4
521.22137	15.4
522.22510	2.2
531.20660	1.2
535.19745	2.4
536.21027	1.2
549.55011	1.0
550.22388	3.3
551.22894	3.6
555.28363	1.3
577.24469	5.4
578.24731	1.1
593.24451	1.2
594.25665	1.6
608.26379	13.8
609.27069	7.4
622.23914	4.1
637.26624	100.0
638.26874	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	637.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40888	2.0
57.03445	4.7
59.01382	89.9
69.03432	2.3
71.01010	3.7
71.01384	51.0
71.52364	3.6
71.52729	3.0
73.02930	10.3
75.00860	7.4
83.01382	6.7
85.02929	20.8
87.00876	7.8
89.02449	31.9
93.03455	5.5
95.01396	6.2
96.96014	22.0
99.00845	4.5
101.02443	35.1
107.94462	2.7
113.02445	24.6
119.03511	16.3
119.05009	14.9
121.02995	2.6
123.00845	5.1
124.01604	3.4
125.02399	13.3
131.57449	2.3
133.02913	5.3
135.02972	14.5
135.04500	7.5
143.03494	3.8
147.60811	2.5
159.02954	2.3
161.02408	17.0
161.04552	6.8
163.04013	34.0
164.04315	3.3
169.01379	10.6
169.02667	2.3
170.01816	2.9
173.04475	4.6
179.03416	3.4
179.05582	5.9
191.05641	26.9
265.70050	2.9
271.02560	2.8
281.06586	6.0
299.01743	3.2
313.49121	3.0
355.10190	11.1
371.20737	3.9
389.21542	4.4
428.64542	3.0
445.11771	2.9
533.26044	100.0
534.26208	8.0
551.27081	78.1
593.28369	23.6
624.43427	2.6
637.09460	8.0
637.17657	3.2
664.35846	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	635.4158
Annotation	Ginsenoside Rh7
Peak:m/z	Relative Intensity
57.73707	1.1
58.00568	1.2
59.01114	1.1
59.01384	13.0
61.98818	2.2
63.45485	0.8
66.45468	0.8
71.01069	1.0
71.01385	12.9
71.51338	1.4
72.23200	0.8
72.99310	1.3
77.27275	1.0
78.45365	0.9
78.95911	7.5
87.00886	1.2
89.02442	17.2
89.41561	0.8
97.55857	0.9
100.72761	0.8
101.02421	3.7
113.02451	2.0
119.03465	2.9
131.03453	1.5
143.03470	1.5
152.99586	3.3
161.04582	2.1
171.10168	1.6
179.05597	13.4
255.23257	4.1
305.84778	0.9
308.62534	0.8
399.13840	0.9
455.35275	100.0
456.35718	8.0
635.35645	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	635.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01725	0.6
61.98832	1.8
71.01389	0.3
71.53268	0.3
78.95908	0.3
101.02504	0.3
107.81529	0.2
116.92864	0.4
124.65675	0.2
131.03532	0.3
277.21860	0.2
351.34323	0.2
487.34555	0.7
566.05835	0.3
575.39667	0.4
579.71307	0.3
635.30292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2507
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
59.01377	8.0
61.98824	2.7
69.32454	7.7
71.01408	4.9
78.95905	11.3
85.02959	1.7
86.74684	0.8
89.02441	3.5
92.08102	0.9
97.38693	0.8
101.02441	3.3
113.02434	1.6
119.03495	0.9
152.99564	7.2
171.10223	1.4
195.13872	4.1
213.14862	1.7
225.11302	1.5
234.06680	1.0
255.23294	6.5
277.21719	6.9
291.23425	1.1
329.16156	1.0
357.19174	3.5
375.20316	6.7
387.16605	1.0
391.22815	1.7
399.13922	1.1
415.15793	1.8
419.18927	1.7
430.13681	1.2
431.14154	1.9
431.18799	3.8
433.20651	1.3
445.15958	4.4
446.21768	1.3
457.20261	0.9
458.17667	4.2
459.13730	1.7
459.18954	1.6
473.15985	5.0
473.21008	1.8
474.16650	9.3
475.17542	4.3
486.20477	1.6
487.17804	2.6
488.18573	7.6
489.19296	6.7
490.20380	5.8
501.19467	2.1
505.22687	4.1
516.17920	2.0
529.18298	1.3
549.21313	1.5
559.23450	1.4
560.20868	2.1
575.22992	17.3
576.23615	7.8
603.22253	2.6
617.35333	1.4
635.25140	100.0
635.41449	20.9
636.25519	12.2
636.41522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22853	2.6
55.01859	3.6
58.00590	3.9
59.01381	100.0
60.99318	3.2
61.98832	35.6
69.21060	8.4
69.21482	17.6
71.01380	29.3
71.05023	13.0
72.99302	12.4
73.02946	7.8
75.00896	3.2
75.05888	2.8
78.95907	5.6
80.51910	2.6
83.01386	7.3
85.02953	23.9
87.00899	3.2
88.98814	9.0
89.02448	12.1
90.20094	2.6
96.96017	6.4
99.00896	3.9
101.02450	38.3
105.01919	5.2
109.02991	2.8
115.92079	2.9
116.92848	7.8
125.02465	6.0
131.03505	49.8
161.02361	3.9
161.64871	2.8
169.01431	9.5
201.82910	3.0
244.67480	2.7
285.04144	4.0
300.99591	3.0
325.72021	2.9
337.25214	3.8
339.26617	4.6
373.27408	4.7
399.21597	4.8
405.31604	26.7
421.30917	5.3
423.32684	48.1
424.33093	4.8
425.34180	11.0
439.32202	14.7
441.34344	3.5
448.14328	3.5
457.33170	50.1
458.33597	3.1
465.06631	5.9
473.35162	4.1
487.34412	3.2
501.32123	5.8
503.33435	3.6
555.37177	5.1
557.38702	4.1
573.38263	5.2
589.37366	25.0
601.37415	72.1
602.38135	4.6
617.36859	7.4
635.38654	63.6
636.38043	8.1
645.37054	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	635.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01385	4.3
60.01760	0.8
61.98820	2.6
66.75680	0.6
68.35990	0.7
68.99801	1.2
69.03436	1.1
69.40238	6.2
69.71034	0.8
71.01377	5.4
72.99309	2.0
73.16067	0.8
75.00877	6.1
79.01865	0.7
83.01395	1.3
84.36367	0.8
85.02951	3.7
87.00860	1.4
88.98802	0.7
95.01385	1.6
96.05015	0.6
96.96007	4.2
97.02952	1.5
98.19789	0.8
99.00860	1.7
101.02434	3.0
107.01395	9.5
109.02924	0.9
110.00111	1.4
111.00870	7.6
116.92822	1.2
123.00889	9.2
124.01658	4.2
124.20510	0.6
125.02446	50.7
125.54976	0.7
126.02686	1.1
127.00349	2.5
129.01929	1.7
136.98805	4.0
137.02437	1.2
139.00363	8.2
140.01154	9.7
141.01900	0.9
151.00363	5.2
153.01883	1.0
159.02985	1.0
168.00630	17.7
169.01416	68.6
170.01755	1.5
177.04039	28.2
197.84207	0.8
211.02475	3.2
237.03682	0.8
259.13318	0.8
261.15097	1.5
271.04633	1.6
277.11240	0.8
305.10812	1.2
305.13956	10.9
329.05139	13.2
330.05142	0.7
387.55560	0.8
408.16974	0.9
483.18677	72.1
484.19266	4.1
635.19751	100.0
636.20044	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1618
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
56.03514	0.7
59.01380	4.5
65.00319	0.9
71.01367	1.8
73.02950	1.3
85.02935	1.3
87.00862	1.2
89.02425	1.1
93.03448	3.4
96.95972	3.3
102.71441	0.8
107.01350	0.8
109.02908	0.9
113.02448	1.8
115.00385	0.9
117.03467	1.0
119.04996	1.6
125.02406	3.4
133.02942	1.8
134.03682	1.3
135.02982	1.2
135.04544	5.3
151.00287	1.5
153.01949	1.0
155.05052	1.1
159.04536	1.6
161.02451	7.6
163.00357	1.0
165.01816	1.0
169.01491	4.4
169.06616	1.6
179.03508	6.8
183.04517	3.9
187.04005	1.0
189.05534	1.5
191.05617	7.4
193.05109	0.9
199.03976	0.9
202.57765	0.8
211.03952	2.7
213.05559	1.8
214.02797	0.8
215.03290	1.0
227.03424	5.6
228.13844	0.8
229.05035	1.0
241.05011	1.0
255.02983	37.3
256.03574	1.8
257.04318	0.9
269.04578	1.9
271.04782	0.9
274.01291	1.1
281.04471	1.5
283.02454	68.4
284.03104	6.4
285.04031	100.0
286.04367	3.4
292.18567	0.8
297.04050	2.1
300.99930	1.0
309.03940	1.5
323.07748	3.5
327.05072	4.1
431.10056	4.4
465.06735	1.7
478.05273	1.8
488.09573	14.3
489.10367	47.7
490.10922	2.4
503.11938	1.3
517.13562	2.9
533.26117	1.2
549.58734	0.8
563.08478	2.1
635.07068	4.3
635.16254	30.9
636.16644	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	635.1616
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
55.01856	0.3
59.01390	2.2
61.98537	0.5
61.98829	5.8
63.02397	0.5
64.93377	0.4
65.00317	0.4
66.21947	0.3
69.03465	0.4
71.01378	2.0
71.53179	0.3
71.53663	0.7
72.99295	0.8
75.00879	2.0
83.01382	0.8
85.02940	1.4
89.02448	0.9
91.01874	0.3
91.93534	0.3
93.03473	1.7
95.01389	0.5
95.74641	0.4
96.96010	2.9
96.96886	0.4
97.02923	0.5
101.02441	1.1
107.01400	4.7
109.02948	1.4
111.00872	2.4
116.92842	1.0
123.00846	1.8
124.01647	1.3
125.02449	13.2
125.56322	0.4
127.00369	0.7
129.01958	0.5
131.05038	0.4
135.00861	1.1
136.98802	1.8
139.00397	2.0
140.01149	3.1
141.01840	0.4
141.07053	0.5
143.05023	1.7
145.02937	0.7
151.00348	1.7
153.01923	0.6
157.06549	1.0
159.04488	1.5
161.02446	0.7
163.00374	2.5
165.01962	0.5
167.05011	0.6
168.00648	5.5
168.05875	0.4
169.01418	17.8
169.06467	0.7
171.04507	0.7
177.04033	6.2
182.03706	0.4
183.04459	0.4
185.06075	2.3
187.03999	4.8
189.05539	1.0
195.04616	0.5
196.05254	0.4
197.06081	1.4
199.03952	1.1
201.05524	1.0
211.02243	0.6
211.04077	2.3
212.04605	0.4
213.05588	2.3
213.86432	0.4
214.02597	0.5
227.03500	5.2
229.05037	14.6
230.05339	0.6
239.03555	1.9
240.04323	0.7
241.05080	1.9
243.02989	0.5
255.02989	5.3
256.03738	1.4
257.04532	7.5
258.04871	0.4
261.14929	0.4
267.03003	1.5
284.03250	4.2
285.04031	100.0
286.04413	4.0
305.13956	3.2
329.05139	2.9
343.12125	0.5
403.13864	0.6
443.22800	0.4
473.23834	0.4
483.18698	19.2
484.19064	1.3
575.14044	0.5
591.26172	0.6
593.15021	1.3
635.18256	32.5
636.17401	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	635.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43609	0.7
57.71891	0.7
59.01311	2.5
61.98767	6.3
67.01848	1.3
69.03407	0.9
71.01369	3.6
71.37092	1.4
75.00807	3.1
75.86082	0.7
77.42242	0.8
79.01830	0.9
83.01363	1.6
85.02873	2.8
85.03355	0.9
89.02393	1.3
91.01836	0.9
93.03391	2.4
95.01333	1.0
96.95961	2.4
98.74151	0.8
101.02406	1.7
107.01386	6.8
109.02915	1.2
110.00054	0.9
111.00883	4.4
116.92841	1.7
123.00900	4.3
124.01605	3.2
125.02451	27.4
126.02728	0.9
127.00325	1.3
129.01888	1.0
131.04912	0.8
136.98735	2.3
139.00397	3.7
140.01170	5.0
141.01903	0.9
143.04962	1.0
151.00282	3.0
156.16150	0.7
157.06587	1.0
159.02968	1.1
159.04457	1.7
163.00319	2.6
165.01846	0.9
168.00653	12.4
168.05620	0.9
169.01425	39.8
169.06514	0.9
170.01747	0.9
171.04396	1.2
177.04022	15.4
185.06042	3.9
187.04047	3.9
189.05521	1.1
195.04619	1.0
199.03949	1.8
201.05515	0.9
211.02295	1.5
211.04085	1.7
213.05508	3.2
227.03526	5.6
229.05055	12.2
239.03470	1.8
241.05096	2.4
249.17235	0.8
255.03029	5.4
257.04437	6.8
261.14700	1.2
284.03348	4.3
285.04044	100.0
286.04422	5.6
300.99475	0.8
305.13934	8.5
313.05331	0.8
318.92313	0.9
329.05106	8.0
477.70950	0.8
483.18713	50.0
484.19385	2.9
575.13678	0.8
593.14966	1.5
635.19757	65.1
636.20184	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18209	0.4
59.01368	1.6
69.45850	3.5
71.01368	1.4
75.00866	1.7
85.02953	6.5
87.00886	1.3
89.02491	0.7
89.22681	0.5
92.09513	0.5
92.97424	0.5
93.03442	3.0
98.20594	1.0
101.02453	0.5
107.01379	0.7
109.02962	2.3
111.04518	1.2
112.76426	0.5
119.05042	1.6
122.48228	0.5
123.00851	1.0
125.02439	6.3
127.04027	1.0
131.29163	0.5
135.02992	5.5
135.04498	0.8
139.24199	0.5
151.00346	0.7
161.02432	2.3
162.53247	0.4
163.03995	4.3
169.01405	8.8
173.04486	1.0
179.03481	1.5
191.05606	100.0
192.05942	1.6
211.02528	1.0
271.04587	0.7
280.48123	0.5
281.06757	1.4
300.99957	0.7
302.00290	0.6
303.00613	0.9
313.05811	2.3
353.08725	10.6
465.06729	12.2
466.06979	0.8
483.07813	1.5
558.75397	0.5
635.07928	2.3
650.70471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0894
Annotation	1,2,6-tri-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.38554	0.9
52.82922	0.9
59.01376	6.0
60.72342	0.9
67.01849	1.2
69.03423	2.4
69.22272	9.6
69.78275	0.9
70.37311	1.3
71.01382	6.1
72.99295	1.2
73.02915	1.4
75.00851	1.6
77.76546	0.9
79.01874	1.0
81.03446	1.4
83.01377	1.6
84.95856	0.9
85.02962	4.7
89.02419	2.4
92.23740	1.0
93.03443	3.2
95.01369	4.8
97.02925	2.3
98.20592	2.4
101.02421	3.6
107.01393	8.9
109.02948	1.8
111.00864	1.9
113.02448	6.0
118.98081	2.4
119.03441	1.3
123.00896	7.9
124.01649	1.7
125.02445	78.8
126.02749	1.7
133.02853	1.3
135.02977	5.1
135.04512	2.5
137.02365	1.5
139.00334	3.5
140.01083	2.1
141.01997	1.2
145.02933	1.6
147.04570	1.2
151.00371	6.3
153.01884	1.9
161.02357	2.0
163.04013	1.5
165.01897	2.1
166.99870	2.4
167.03497	1.7
168.00635	5.7
169.01414	100.0
170.01790	2.0
173.02306	1.1
173.04472	1.2
175.03889	1.5
177.01895	1.2
179.03439	3.9
181.01270	1.0
181.06593	1.1
191.03685	2.0
191.05608	18.2
193.01353	4.4
193.04984	1.2
195.06609	1.2
203.03506	1.6
211.02426	9.1
221.04518	1.1
229.01210	1.3
235.02547	2.0
245.00735	1.2
253.03505	1.1
255.10170	2.6
258.01202	1.2
271.04590	4.8
275.01874	3.3
276.02219	1.3
277.02588	2.5
295.04480	4.3
297.06158	1.2
300.99854	14.7
302.00229	9.4
303.00439	12.1
313.02264	1.4
313.05661	19.2
331.06412	2.4
343.08258	1.0
344.37549	0.9
344.58606	1.1
353.08688	1.5
422.31641	1.1
423.05527	2.2
465.06714	52.5
466.06778	1.8
468.39246	1.0
483.07822	17.4
517.13574	2.1
531.24451	2.6
549.25360	2.0
591.11707	1.1
634.06696	1.4
635.08313	53.9
636.08966	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	633.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20759	0.8
59.01379	100.0
61.98827	4.4
67.79215	0.8
68.99577	1.3
70.44344	0.9
71.01360	1.3
78.95913	3.0
112.98521	1.4
116.92810	1.9
117.03460	3.4
119.05022	2.0
128.90158	1.2
131.03543	0.9
145.02954	11.5
168.89958	0.9
169.01474	1.1
204.25337	0.9
245.00697	0.9
257.93048	0.9
259.88922	0.8
275.01822	1.6
300.99863	5.5
441.33591	1.4
485.32602	1.9
503.33990	0.9
573.37970	12.6
589.35956	0.9
633.07166	2.3
633.28760	1.5
633.38141	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	635.089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59346	0.5
51.88653	0.5
55.32172	0.6
58.98006	0.4
59.01377	3.8
63.08343	0.5
67.01895	1.2
68.99845	0.4
69.03458	1.3
70.51495	0.4
71.01398	3.6
73.02952	0.7
75.00880	2.0
78.72624	0.4
79.01888	0.5
79.94929	0.5
80.43835	0.4
81.03457	0.6
83.01390	0.7
85.02955	2.5
87.00893	1.1
89.02462	2.2
93.03448	1.2
95.01393	1.7
97.02950	1.7
101.02467	1.9
107.01397	6.3
109.02940	1.0
111.00890	1.5
113.02457	1.8
119.03462	1.1
123.00882	5.1
124.01662	1.8
124.29552	0.5
125.02443	82.7
126.02779	1.6
127.00394	0.5
135.02994	8.0
135.04550	1.0
137.02402	1.4
139.00363	2.1
139.04030	0.6
139.91148	0.5
140.01161	2.0
143.03482	0.9
149.06061	0.5
151.00362	2.7
151.04066	0.5
161.02382	0.8
161.04544	0.6
164.01259	0.5
165.01865	1.2
166.99960	0.8
167.03503	0.9
168.00615	4.4
169.01418	100.0
170.01790	2.1
173.04590	1.2
179.03409	1.2
181.01457	1.0
191.03870	0.9
191.05585	6.6
191.07184	0.7
191.56665	0.5
193.01390	4.8
203.29012	0.5
205.01430	0.6
207.02950	1.0
211.02457	10.2
223.02292	1.0
235.02562	0.6
241.03534	2.0
253.03503	0.8
255.10281	2.0
271.04590	6.2
277.03571	0.5
295.04565	4.5
297.06073	1.7
300.99808	1.0
302.00394	0.5
313.05627	7.5
331.06805	1.2
423.05499	2.7
461.10403	0.5
465.06729	13.4
483.07767	15.3
483.14642	0.8
517.13507	1.0
635.08722	67.8
636.09058	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	635.0887
Annotation	1,2,6-tri-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01372	1.2
69.03427	0.6
69.71490	0.3
71.01369	4.5
73.02964	0.6
77.07120	0.3
79.01873	0.9
81.03446	0.5
83.01392	0.8
85.02965	1.3
87.00893	0.7
90.52566	0.4
95.01360	1.9
97.02927	0.9
98.20668	0.8
101.02434	1.6
107.01392	5.9
109.02895	0.4
110.75453	0.4
111.00887	1.3
113.02443	1.6
116.57381	0.3
120.92214	0.4
123.00872	7.4
124.01681	1.5
125.02441	45.2
126.02789	0.5
127.00315	0.8
135.04597	0.5
136.98805	0.9
137.02509	0.8
138.03191	0.5
139.00360	3.1
139.04004	0.5
140.01135	2.5
141.01944	0.9
145.02977	0.5
149.02423	1.2
151.00359	5.2
153.01955	0.7
161.02373	0.6
165.01836	0.8
166.99858	1.4
167.03494	1.1
168.00612	3.9
169.01414	61.1
170.01729	1.0
179.03458	0.9
180.25124	0.4
181.01346	0.5
191.03592	0.5
191.05562	0.9
193.01381	3.3
200.99529	0.4
202.81718	0.4
211.02490	4.7
223.02480	1.2
233.95345	0.5
235.02455	0.9
241.03496	0.8
253.03551	0.5
271.04727	0.5
295.04639	2.1
297.06152	2.7
313.05652	19.5
314.05933	1.0
315.24915	0.4
434.06296	0.5
435.45996	0.6
465.06699	100.0
466.07050	7.0
483.07724	2.0
635.08557	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	633.3797
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
59.01372	1.3
61.02563	0.3
61.98826	1.0
71.05025	1.0
83.05066	0.4
89.03972	0.3
91.67260	0.3
98.19923	0.6
105.07549	0.3
110.51150	0.3
117.03465	28.3
118.03724	0.4
119.05027	16.0
120.05356	0.3
121.02972	1.4
123.04510	0.7
124.07582	0.3
133.02921	0.5
135.67366	0.2
145.02950	100.0
146.03294	2.8
162.03206	1.3
163.04001	1.1
300.99863	0.5
409.30820	0.5
467.31863	0.4
469.33240	1.8
485.32809	2.6
487.34427	0.4
513.32300	1.0
589.38965	1.9
633.37915	93.1
634.38336	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	633.4007
Annotation	Kolokoside B
Peak:m/z	Relative Intensity
52.41025	0.7
53.49743	0.7
59.01378	1.4
61.98823	3.3
71.01383	0.9
85.02952	1.0
89.02485	0.7
98.20649	2.6
101.02477	3.9
102.02161	0.7
104.37955	0.7
113.02432	1.4
117.03451	2.4
118.50943	0.8
119.05054	1.9
130.38327	0.7
145.02969	8.7
160.43243	0.8
161.04581	1.7
300.99744	2.4
469.33282	1.8
471.34778	100.0
472.35141	9.3
615.37024	0.9
633.08026	1.0
633.38068	7.2
634.38586	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98834	4.9
73.77982	0.9
79.54533	0.9
98.19763	2.0
101.02419	1.4
117.03463	20.8
119.05037	27.7
121.03007	2.1
132.62077	1.0
133.02959	2.9
138.83745	0.9
145.02953	58.7
146.03310	2.2
160.84248	6.4
161.02441	3.9
162.83896	7.5
163.04008	39.2
164.04337	1.7
300.99850	4.2
439.32504	5.3
471.34772	100.0
472.35226	8.1
553.85065	1.1
571.37939	8.2
591.61066	1.0
594.91699	1.2
615.36560	5.4
633.07391	1.8
633.20227	2.3
633.38013	80.3
634.19232	1.5
634.38202	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	633.364
Annotation	Unnarmicin A
Peak:m/z	Relative Intensity
58.92571	1.3
59.01376	32.3
61.98822	12.2
68.99554	5.0
70.04247	4.1
71.01369	7.3
72.99300	2.3
73.02943	15.4
75.00867	67.7
78.95878	2.4
85.02906	1.3
85.62926	1.3
89.02414	1.9
101.02420	1.6
103.00375	1.3
112.98558	3.2
116.92864	1.5
117.01937	100.0
118.02264	2.6
123.00888	1.4
125.02474	1.6
145.02924	2.0
161.00882	5.2
169.01387	2.6
185.72998	1.5
275.01996	1.9
300.99921	8.2
409.15237	1.3
453.33563	2.0
457.07480	1.4
457.35147	1.2
469.32663	1.5
471.34882	15.9
474.43027	1.3
485.32758	14.1
513.35504	6.8
514.35803	1.7
557.34784	1.9
633.07275	2.7
633.36505	74.0
634.37109	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	633.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	3.7
65.30329	0.7
78.95902	22.4
80.02691	1.9
81.03464	2.2
83.05038	7.7
84.02177	1.5
95.05029	1.0
97.23216	0.8
109.06654	1.0
110.98531	16.3
115.21649	0.7
125.04429	0.8
125.09702	0.7
132.98988	0.7
135.08186	0.8
137.36583	0.7
148.69882	0.8
152.99576	3.1
154.82487	0.7
163.11302	6.9
165.12849	4.3
167.01132	7.3
169.12201	0.7
171.10291	0.8
181.12343	2.1
191.10742	2.3
197.11797	4.4
199.13374	2.8
201.14973	2.1
209.11824	100.0
210.12119	3.5
227.12874	34.3
228.13181	1.1
240.46631	0.7
250.02682	0.7
253.21655	1.3
255.23274	97.3
256.23596	4.5
281.24667	0.8
377.13556	2.7
395.14743	1.5
397.06903	0.8
397.16467	3.5
423.25125	7.8
633.37634	55.0
634.38123	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	633.3792
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.12791	0.6
53.82168	0.5
54.78170	0.5
54.98333	0.7
57.16491	0.5
69.22366	5.6
83.05009	0.8
86.33510	0.5
98.19859	1.0
117.03465	27.9
118.03806	0.6
119.05025	13.0
121.02960	2.2
121.09826	0.6
145.02948	93.9
146.03310	3.2
163.03995	4.0
232.67300	0.6
240.79817	0.6
242.20331	0.6
256.76697	0.7
274.04279	0.7
306.10104	0.6
384.31952	0.6
468.91174	0.7
469.33105	1.6
471.34973	1.5
569.62695	0.7
589.38788	2.1
615.36859	1.1
633.37909	100.0
634.38281	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	633.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23127	1.1
53.31610	1.2
54.83986	1.2
58.65025	1.1
59.01384	7.8
61.98827	18.3
63.11198	1.1
69.17097	12.2
70.90909	1.2
71.01377	5.5
73.02941	2.9
83.01401	2.2
85.02960	2.5
87.60870	1.2
88.98797	1.7
89.02444	2.5
93.03459	6.3
95.01380	1.7
96.96002	3.7
98.20654	3.5
101.02431	3.5
107.01394	2.1
109.02930	2.5
113.02459	1.7
117.03428	2.7
119.04993	4.8
121.02946	7.4
122.03741	14.1
123.00884	2.4
123.04482	1.5
125.02418	9.8
132.02150	1.4
133.02945	4.4
134.03807	1.4
135.02957	1.6
135.04536	2.3
136.01674	2.3
137.02466	9.5
145.02902	6.5
148.23911	1.2
149.02438	32.6
150.03221	87.4
151.03850	5.1
153.05531	4.2
159.04590	1.5
161.02409	5.4
162.02840	1.2
163.04008	4.5
164.04770	13.4
165.01938	19.0
165.05559	95.6
166.05878	5.3
169.01402	12.9
173.04559	2.5
176.04736	1.7
177.01900	1.5
179.03508	12.5
179.05089	1.6
179.07089	2.8
180.04260	18.0
181.05069	52.4
182.05730	5.0
194.05812	4.6
195.06618	100.0
196.07391	45.1
196.38452	1.2
197.08165	6.5
205.05058	1.7
207.06648	1.3
209.08188	3.1
210.08499	2.0
211.02350	1.4
211.09758	39.2
225.07646	12.0
227.12659	1.3
249.14938	1.4
253.05096	1.6
257.08078	2.0
284.03326	1.8
285.03848	1.4
297.07635	1.7
299.09351	1.4
300.99820	5.7
313.05939	1.5
343.11804	5.5
359.11325	4.3
373.12881	54.3
374.13452	6.5
389.16022	12.6
390.16367	1.8
417.24982	1.7
421.15073	14.9
433.07739	7.9
481.17346	1.4
529.41241	1.2
585.23370	15.4
597.12653	6.2
633.07074	2.8
633.17480	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	633.0732
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
62.24007	0.6
62.34637	0.7
69.79195	3.7
81.02276	0.7
95.01402	1.8
97.47968	0.9
98.19851	0.7
100.48811	0.7
107.01416	2.3
123.00893	3.7
125.02454	13.4
133.02936	0.8
145.02953	2.1
147.04521	1.2
157.02963	0.9
159.04521	3.1
163.04027	1.3
169.01456	9.2
172.51450	0.7
173.02441	2.6
175.04033	4.1
177.01932	1.7
185.02419	2.7
187.04010	1.6
190.02722	1.0
191.03503	2.0
201.01917	3.4
203.03473	9.6
211.52223	0.7
213.01965	1.9
219.02977	1.2
221.04588	1.8
229.01421	9.8
231.02983	12.7
245.00931	1.5
247.02443	1.3
249.04018	26.3
257.00903	8.8
258.01672	4.1
273.00266	1.4
274.01370	0.9
275.01962	45.7
276.02252	1.2
283.99652	2.7
299.99072	2.8
300.99887	100.0
302.00232	4.0
411.37445	0.8
419.06268	0.9
481.05920	1.9
628.10968	0.7
633.07288	72.9
634.07227	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	633.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23127	1.1
53.31610	1.2
54.83986	1.2
58.65025	1.1
59.01384	7.8
61.98827	18.3
63.11198	1.1
69.17097	12.2
70.90909	1.2
71.01377	5.5
73.02941	2.9
83.01401	2.2
85.02960	2.5
87.60870	1.2
88.98797	1.7
89.02444	2.5
93.03459	6.3
95.01380	1.7
96.96002	3.7
98.20654	3.5
101.02431	3.5
107.01394	2.1
109.02930	2.5
113.02459	1.7
117.03428	2.7
119.04993	4.8
121.02946	7.4
122.03741	14.1
123.00884	2.4
123.04482	1.5
125.02418	9.8
132.02150	1.4
133.02945	4.4
134.03807	1.4
135.02957	1.6
135.04536	2.3
136.01674	2.3
137.02466	9.5
145.02902	6.5
148.23911	1.2
149.02438	32.6
150.03221	87.4
151.03850	5.1
153.05531	4.2
159.04590	1.5
161.02409	5.4
162.02840	1.2
163.04008	4.5
164.04770	13.4
165.01938	19.0
165.05559	95.6
166.05878	5.3
169.01402	12.9
173.04559	2.5
176.04736	1.7
177.01900	1.5
179.03508	12.5
179.05089	1.6
179.07089	2.8
180.04260	18.0
181.05069	52.4
182.05730	5.0
194.05812	4.6
195.06618	100.0
196.07391	45.1
196.38452	1.2
197.08165	6.5
205.05058	1.7
207.06648	1.3
209.08188	3.1
210.08499	2.0
211.02350	1.4
211.09758	39.2
225.07646	12.0
227.12659	1.3
249.14938	1.4
253.05096	1.6
257.08078	2.0
284.03326	1.8
285.03848	1.4
297.07635	1.7
299.09351	1.4
300.99820	5.7
313.05939	1.5
343.11804	5.5
359.11325	4.3
373.12881	54.3
374.13452	6.5
389.16022	12.6
390.16367	1.8
417.24982	1.7
421.15073	14.9
433.07739	7.9
481.17346	1.4
529.41241	1.2
585.23370	15.4
597.12653	6.2
633.07074	2.8
633.17480	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	633.0729
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
63.21259	0.5
66.24509	0.5
66.56271	0.5
70.02772	1.1
70.03162	1.2
75.12674	0.5
95.01382	0.9
95.54457	0.5
106.12561	0.5
107.01353	0.7
117.03426	0.7
123.00872	2.4
124.01601	0.6
125.02425	3.4
126.93112	0.6
145.02919	1.4
147.04436	0.6
157.02922	1.0
163.04036	0.8
169.01387	1.9
173.02434	1.6
175.03998	1.3
185.02466	3.2
189.01973	0.7
191.03531	0.8
201.01900	3.8
203.03534	3.9
211.02521	0.6
213.01874	1.0
217.01378	0.7
221.27426	0.5
228.00537	0.7
229.01439	6.4
231.03018	3.1
241.07555	0.5
245.00897	1.9
247.02319	1.1
249.04063	3.8
257.00912	6.4
258.01584	1.6
273.00345	1.0
275.01953	14.7
276.02203	0.6
283.99493	3.0
299.99194	2.6
300.99872	100.0
302.00250	4.7
331.06973	0.7
387.53265	0.6
463.04980	3.2
557.79761	0.6
633.07275	44.6
634.07562	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	633.0732
Annotation	Corilagin
Peak:m/z	Relative Intensity
50.33911	0.5
56.39647	0.5
57.71606	0.5
59.01377	1.3
69.29535	4.2
70.22615	0.5
70.29980	0.5
71.01381	0.8
85.02975	0.6
95.01373	1.1
96.25438	0.5
107.01396	0.7
111.00848	0.7
113.02480	0.6
123.00877	2.1
125.02428	3.7
145.02966	1.8
147.04549	1.0
151.00333	0.5
157.02921	1.1
159.04469	1.0
161.02444	0.7
163.04045	0.9
166.97148	0.6
166.99857	0.5
169.01443	4.0
173.02409	2.2
175.04004	2.3
177.01932	0.7
177.08977	0.5
185.02422	2.8
189.01962	0.8
190.02785	0.6
191.03542	1.2
191.05489	0.5
193.01410	0.6
201.01959	4.1
203.03508	4.4
211.02559	0.8
213.01872	0.9
217.01294	0.8
219.03043	1.2
229.01425	8.5
230.02042	0.9
231.03038	3.9
245.00851	2.4
247.02457	1.4
249.04018	5.0
257.00928	8.1
258.01605	2.3
271.99686	0.5
273.00470	1.3
274.01147	0.7
275.01962	23.4
275.05002	1.2
276.02344	1.3
283.99673	2.4
291.10815	1.5
291.73126	0.5
299.99106	3.2
300.99878	100.0
302.00269	5.0
463.05212	2.7
481.06061	0.9
598.18073	0.6
633.07288	49.1
634.07477	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	632.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01370	2.1
60.03288	0.5
61.98831	14.4
65.00315	0.5
67.01875	0.7
69.68330	0.8
69.68740	2.0
71.01377	2.3
72.99297	0.5
73.02971	0.6
76.27343	0.4
76.93526	0.4
77.09114	0.5
79.01884	0.9
79.76714	0.5
83.01403	0.8
85.02935	0.9
86.68623	0.4
90.44492	0.5
93.84058	0.5
95.01379	1.7
96.95982	0.8
97.02924	0.6
98.20766	0.5
101.02442	1.4
107.01419	3.2
111.00892	1.3
113.02461	1.3
116.92819	0.8
123.00887	11.0
124.01684	0.7
125.02454	15.2
127.00369	0.7
135.04576	1.0
136.98805	0.8
139.00371	3.6
140.01135	1.9
141.01912	0.9
145.02963	0.9
151.00366	8.9
151.04117	0.6
153.01871	0.7
161.02345	1.0
163.03949	0.6
168.00626	2.2
169.01418	19.4
169.35243	0.5
179.03479	0.8
203.21552	0.5
211.02458	1.8
271.04666	2.7
285.04099	1.8
300.99799	0.7
313.05743	2.6
434.66635	0.7
469.97275	0.5
569.26019	100.0
570.26385	10.8
616.09698	0.6
616.67883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43164	0.4
57.03458	0.5
59.01383	3.3
61.98833	16.6
67.01875	0.9
71.01387	2.7
71.53294	0.5
71.53705	0.4
72.99277	0.6
73.02951	0.6
74.36561	0.4
79.01898	0.7
83.01380	0.7
85.02943	1.7
87.00876	0.6
89.02437	0.8
95.01388	1.8
96.96023	1.1
97.02955	0.4
101.02431	2.0
107.01398	3.4
109.02932	0.6
111.00877	1.4
113.02447	0.7
123.00880	11.5
124.01736	0.9
125.02448	17.5
127.00349	0.9
133.02979	0.6
135.04533	0.9
136.98796	1.3
137.02466	0.9
139.00381	3.3
140.01169	2.9
141.01904	1.4
145.02989	0.7
151.00377	10.0
151.96631	0.5
152.01056	0.4
153.01973	0.6
158.16260	0.4
161.02397	1.6
163.04059	0.8
167.03336	0.4
168.00655	2.6
169.01430	19.6
170.01752	0.5
179.03531	0.9
181.05002	0.5
209.01845	0.4
211.02493	2.3
230.22491	0.4
271.04550	3.1
278.62802	0.4
285.04138	0.7
287.05518	0.5
294.17365	0.5
300.99832	1.0
302.63174	0.4
313.05612	3.0
339.33893	0.4
370.24884	0.4
419.24771	0.4
459.10016	0.5
529.20367	0.4
569.13586	3.5
569.26013	100.0
570.26324	10.3
632.25208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.0
61.98822	3.4
71.01383	3.6
71.53569	0.8
72.99315	1.5
73.02932	1.6
75.00876	1.5
76.32884	0.7
78.95893	1.4
85.02945	1.3
87.00874	1.5
89.02453	1.1
95.01385	1.0
96.96012	19.9
98.95590	12.0
98.96411	1.4
99.00894	1.4
99.92585	37.4
100.92657	1.1
100.93370	2.8
101.02450	1.5
107.01359	0.9
111.00857	1.0
113.02411	1.8
115.92083	24.4
116.92857	100.0
117.03474	1.6
117.92852	2.4
119.03515	0.8
119.05034	6.2
121.02953	1.4
123.00922	0.8
125.02423	2.0
129.01945	1.7
133.06606	1.5
135.02979	1.1
135.04538	2.3
137.02428	2.1
140.92776	0.9
141.93646	2.9
145.02940	7.6
151.00330	0.9
156.92311	1.3
161.02457	2.2
161.06111	2.3
163.04066	4.6
165.01930	7.0
166.06329	3.6
169.01472	1.6
169.93129	1.0
170.93913	0.8
171.94582	0.9
179.03494	2.1
180.04288	2.9
181.08710	1.4
184.91838	5.2
185.92607	1.2
187.11327	0.9
193.05017	1.1
195.05006	1.9
195.06638	4.0
205.05063	1.1
205.12221	1.1
210.05292	1.0
212.94969	1.0
225.07695	4.4
227.03586	1.2
242.95961	2.0
243.96802	2.9
244.97577	1.9
249.11409	1.1
255.03014	7.0
261.97861	1.5
283.02475	9.2
284.03189	3.2
285.03967	3.4
285.97705	0.8
300.99744	1.4
302.98184	0.7
303.99188	1.5
307.08194	4.0
329.10406	0.9
329.96802	1.0
330.97598	1.7
337.95511	0.9
346.97009	1.2
359.14868	1.2
365.94733	10.8
366.95392	6.5
367.95859	0.9
368.96863	1.3
382.94946	1.0
383.95798	4.5
384.96524	4.0
395.95886	0.8
396.96573	2.6
403.14063	1.8
443.15195	0.8
471.12964	5.4
510.99847	0.9
513.13922	1.6
547.01941	4.4
571.01849	1.5
589.02911	22.9
589.21954	0.8
590.02734	2.0
629.47168	0.7
633.01685	12.0
633.19342	4.0
634.02289	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91874	0.4
59.01364	1.1
61.98822	5.6
70.70470	0.9
71.01362	0.8
85.02957	0.6
93.03455	1.6
107.01379	1.7
107.05041	0.5
109.02966	0.8
117.03470	0.6
123.00859	0.8
125.02400	1.3
129.96602	0.5
131.05066	0.6
135.00861	1.3
137.02440	0.6
143.05037	0.8
145.02936	0.8
151.00356	1.7
157.06575	1.0
159.04477	1.8
161.02440	0.5
163.00366	2.7
165.01950	1.2
169.01439	1.4
171.04442	0.9
176.80339	0.5
185.06049	2.9
187.03955	3.2
189.05534	0.8
195.04510	0.6
195.06570	0.5
197.06094	1.2
199.04025	0.7
201.05644	0.6
211.04024	1.5
213.05571	1.8
223.03906	0.7
227.03436	3.3
229.05029	11.5
239.03477	1.7
240.04239	0.9
240.44164	0.5
241.05078	1.4
244.00531	0.5
255.03119	0.6
256.03732	0.7
257.04529	5.5
267.02927	1.0
283.04572	9.4
285.04031	100.0
286.04453	4.3
299.58798	0.6
300.99930	0.9
346.79779	0.6
353.71835	0.5
499.10727	0.5
569.09332	14.3
570.09930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19163	0.2
59.01384	0.6
61.98830	100.0
66.60637	0.2
69.18562	2.8
69.18898	0.6
71.01377	0.4
81.18150	0.2
91.06402	0.3
97.02972	0.3
98.19865	0.5
101.02441	0.3
107.01381	0.5
107.85549	0.3
109.02946	0.3
113.02492	0.2
119.05000	1.3
121.02953	0.4
123.00897	0.5
125.02452	6.3
133.03006	0.4
135.04530	1.3
145.02971	1.0
152.64311	0.3
153.12070	0.3
161.02469	0.9
162.32642	0.2
163.04060	0.9
167.03520	0.6
169.01414	10.2
171.48666	0.3
179.03508	1.1
181.01599	0.3
191.05763	0.3
217.01358	0.3
218.82571	0.3
242.56972	0.3
280.39731	0.2
285.03943	0.3
301.00021	0.7
323.07715	0.6
463.09125	0.5
471.13068	1.2
481.09888	0.4
503.12027	0.5
524.20813	0.3
569.25458	0.4
594.15839	0.4
633.12292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3637
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
58.46510	0.3
59.01377	0.6
61.98841	0.8
66.72314	0.3
69.28870	0.6
69.29285	2.4
71.05025	0.5
78.77748	0.3
80.25942	0.3
83.05038	2.1
89.75732	0.3
117.03463	27.2
118.03783	0.7
119.05024	17.0
120.05334	0.4
121.02962	1.9
123.04495	0.7
134.03717	0.4
145.02950	100.0
146.03279	2.7
147.04460	0.4
162.03235	1.0
162.90269	0.3
163.03990	1.1
196.41893	0.3
259.80624	0.3
450.99783	0.4
467.31485	0.4
469.33121	0.8
471.42841	0.4
569.36407	2.0
587.37439	4.8
588.37720	0.8
613.35278	1.1
631.36365	75.9
632.36694	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	631.3638
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
59.01380	1.4
61.98819	1.2
68.99577	1.1
71.01378	0.3
71.05025	0.9
78.95899	0.5
83.05012	1.8
87.00907	0.4
99.90833	0.3
112.98618	0.6
117.03465	27.4
118.03848	0.3
119.05027	17.7
120.05376	0.4
121.02956	2.0
123.04522	0.7
145.02951	100.0
146.03281	2.0
149.41202	0.3
162.03221	0.9
163.04033	1.3
164.92795	0.3
203.85672	0.3
275.02112	0.4
300.99954	0.4
313.80923	0.3
337.25204	0.4
450.99469	0.4
467.32077	0.5
485.32608	0.5
501.95145	0.3
503.31668	0.4
569.36285	1.0
587.37372	5.8
588.37543	0.5
613.04865	0.4
613.35321	0.9
631.36389	78.2
632.36664	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	631.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16045	0.8
55.32747	0.7
57.03430	0.9
59.01371	4.6
60.88498	0.7
61.98827	25.5
68.99564	3.9
70.82011	1.8
70.82356	1.4
71.01386	3.3
75.00896	1.4
82.95410	1.5
83.01389	1.2
85.02941	1.3
87.00891	1.5
93.03451	5.7
95.05019	1.0
96.96004	3.2
101.02444	3.2
105.03448	3.8
107.05005	1.2
108.02229	1.0
109.02937	2.5
111.00898	1.3
112.98547	4.5
113.02457	1.2
119.05013	3.9
121.02962	5.3
122.03722	10.7
123.00894	1.9
123.04531	2.7
124.01663	1.4
125.02451	5.8
129.01935	0.9
133.02921	3.5
134.03754	1.2
135.04510	3.1
136.01686	1.9
137.02483	6.7
139.00375	0.8
139.04013	1.3
145.02980	2.8
149.02446	15.4
149.06108	0.8
150.03223	69.3
151.00385	1.2
151.04022	14.2
153.05505	1.3
160.01651	1.0
161.02437	46.6
162.02856	2.0
163.04010	3.1
164.04747	4.9
165.01917	14.2
165.05563	74.4
166.05881	1.2
168.00613	0.9
169.01454	5.4
175.03979	1.6
176.04771	18.8
177.05449	1.5
179.03491	68.5
180.04259	15.7
183.13927	1.4
187.04037	1.2
189.01918	1.0
191.03555	1.3
191.05551	1.5
191.07117	8.8
194.05840	63.8
195.06616	100.0
196.06979	2.8
202.90002	1.0
203.07063	0.9
205.05095	1.0
207.06754	1.5
207.49602	0.8
208.03558	0.9
209.08180	97.7
210.05305	1.4
210.08507	2.7
217.01538	1.0
219.02831	1.3
225.07722	9.8
225.66934	0.9
227.03526	2.1
228.03778	1.0
232.00142	0.9
255.02933	2.8
256.03271	3.3
281.06531	1.1
284.03378	4.7
285.03812	8.3
286.04297	2.8
289.07166	3.4
300.99869	2.5
323.07767	1.8
373.12851	6.4
374.51733	1.0
387.14355	3.2
421.15012	3.8
435.11133	0.9
450.99060	1.0
490.51382	0.8
501.13965	1.5
513.26202	1.2
517.13379	1.3
568.11713	9.0
568.24969	1.1
583.21722	1.4
587.26672	0.9
595.26611	1.2
631.15698	1.7
631.24652	2.9
631.33972	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	631.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.4
61.98830	14.6
68.07531	1.0
68.99561	2.4
69.24922	5.5
69.25343	3.4
71.01373	3.1
72.99310	1.8
74.24840	0.9
75.00860	1.6
88.98802	1.4
93.03470	5.2
95.05048	1.3
96.96005	3.7
97.02905	1.0
98.20652	2.3
101.02460	2.3
105.03432	2.3
109.02955	1.6
112.98543	1.7
113.02435	1.8
119.05012	4.2
121.02975	4.7
122.03746	8.7
123.00875	1.5
123.04485	2.2
125.02450	6.2
133.02934	4.7
135.03061	1.1
135.04547	1.9
137.02451	6.1
139.00333	1.5
145.02957	2.9
148.70291	1.1
149.02419	13.8
149.06047	1.5
150.03221	61.6
151.00398	2.0
151.04010	13.1
161.01125	2.2
161.02446	43.9
162.02893	1.2
163.03981	2.2
164.04770	3.5
165.01938	14.8
165.05562	65.8
166.02605	1.1
166.05942	1.7
166.99756	1.1
167.07091	1.5
169.01376	3.5
176.04776	18.9
177.01852	1.0
177.05522	1.3
179.03491	63.5
180.04265	12.6
189.01964	1.2
191.05630	1.3
191.07185	6.5
193.04990	1.1
194.05827	61.0
195.06615	96.8
196.06950	2.2
205.05092	1.4
209.08180	100.0
210.05360	1.3
210.08446	3.5
225.07648	9.3
227.03252	1.0
255.02928	1.3
256.03577	1.1
268.56793	1.1
274.69788	1.0
284.03198	1.9
285.03778	3.2
286.04358	1.2
289.07016	1.6
299.04932	1.1
300.99844	3.7
351.49997	1.1
370.94519	1.4
373.12851	6.4
387.14655	2.8
421.14993	4.1
501.13965	1.6
568.11664	5.4
631.15271	1.4
631.24060	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0574
Annotation	Castalin
Peak:m/z	Relative Intensity
55.80319	1.7
59.01379	2.5
61.98838	1.7
69.58064	8.0
71.01371	2.2
75.60062	1.7
95.01398	2.0
109.02922	3.2
111.00867	4.7
114.89751	1.5
119.05030	3.2
120.86042	1.8
123.00877	4.1
125.02422	1.8
135.02997	2.0
139.00330	6.4
145.02965	4.6
159.04567	3.5
161.02409	3.8
163.00351	2.8
163.03995	4.1
164.98311	8.8
165.01971	2.2
166.99811	2.8
169.01450	1.9
173.02460	5.3
174.63631	1.6
177.01884	2.5
178.99860	1.9
181.01381	4.3
185.02417	2.6
187.04008	2.7
189.01956	7.0
191.03471	6.9
191.05595	4.6
199.04059	2.2
201.01889	5.1
203.03487	3.1
211.04066	2.6
213.01884	6.0
214.02643	1.9
215.00085	2.1
215.03442	6.9
217.01378	5.3
221.00970	2.3
229.01344	8.8
231.02951	5.6
239.03571	2.1
242.93236	1.8
245.00784	3.4
247.02541	2.2
257.00900	7.6
259.02420	7.4
259.99542	2.6
261.00388	6.1
267.02921	1.8
270.98819	3.7
273.00400	3.3
279.03046	2.2
282.98843	3.7
283.99677	3.7
285.00394	20.7
289.07166	5.2
293.00809	2.5
298.98270	2.6
299.99164	3.3
300.99841	11.6
303.01511	2.6
307.02454	3.4
310.98355	2.7
323.01895	5.3
335.02417	3.9
341.06613	3.5
351.01547	9.3
363.01608	1.7
375.62283	1.7
379.00903	5.2
381.02493	4.1
382.71539	2.1
387.79956	1.8
407.00378	7.7
419.06393	2.3
423.05725	4.6
425.01514	5.8
432.98312	4.1
449.03638	2.6
450.99402	100.0
451.99527	6.5
463.05350	3.4
469.00403	2.1
571.03619	4.2
587.06085	3.9
613.04834	7.3
631.05762	90.5
632.06061	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	631.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.6
65.00282	2.3
69.51658	8.2
69.52053	2.5
71.01380	1.6
87.00869	3.1
95.01353	1.8
98.13658	1.2
111.00873	3.0
115.00366	4.1
118.51205	1.3
123.00928	3.2
125.02393	3.5
133.03035	1.3
139.00375	5.9
145.02887	1.6
161.02396	3.1
163.03993	2.9
164.98309	7.6
166.99820	1.5
169.01411	1.3
173.02408	1.3
175.02478	6.5
178.99844	1.6
181.01407	5.1
185.02434	1.9
187.03987	2.0
189.01880	2.9
191.03462	5.8
197.02516	1.6
201.01917	2.9
203.03430	1.7
213.01909	4.3
214.02800	1.5
215.03540	3.0
217.01477	1.6
226.99840	1.7
228.00471	1.5
229.01421	3.9
231.02892	3.2
238.99812	1.5
241.01372	1.6
251.03624	1.6
254.99368	1.9
257.00864	7.0
259.02438	5.7
261.00388	5.3
273.00488	2.1
275.02029	1.8
279.02811	1.6
282.98770	2.0
283.99466	2.6
285.00388	19.7
286.00638	1.9
295.02618	2.5
297.03897	1.5
298.98105	1.6
299.01852	1.8
299.99069	1.9
300.99933	4.2
303.01437	2.1
307.02472	2.3
310.98288	4.6
311.01694	1.8
323.01987	5.8
325.03513	2.1
335.02020	2.7
339.01431	1.7
343.76294	1.4
351.01334	7.7
379.00867	4.8
381.02539	2.2
404.09381	1.7
404.99109	1.7
407.00510	7.8
409.01794	1.5
422.99295	1.6
423.05255	1.3
425.01614	4.5
432.98285	2.9
450.99402	100.0
451.99597	6.0
463.05414	1.8
571.03381	2.1
631.05762	81.8
632.06268	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	631.0575
Annotation	Castalin
Peak:m/z	Relative Intensity
51.80997	1.1
53.22988	1.3
53.99621	1.2
57.24576	1.1
65.00315	2.1
69.69735	3.6
69.70148	4.1
71.01405	1.2
95.01361	2.8
111.00852	4.1
112.20247	1.2
114.45276	1.3
117.03416	1.4
123.00854	2.6
125.02449	1.4
129.89502	1.2
133.02892	1.3
139.00369	6.8
149.12531	1.5
153.01932	1.5
157.02826	1.6
161.02383	1.8
163.00371	1.6
163.03993	3.1
164.98328	7.3
173.02457	1.7
175.02475	2.0
175.03955	1.9
181.01338	3.3
185.02486	2.7
187.03935	2.4
189.01909	5.5
191.03462	4.2
197.02582	1.5
201.01910	1.8
213.01939	5.5
214.99911	1.6
215.03456	4.9
217.01460	2.8
221.00841	1.5
226.99831	2.9
227.03296	2.2
229.01460	6.6
231.02930	5.0
241.01254	2.6
247.02312	1.9
251.03369	2.3
254.99258	3.7
257.01022	6.3
259.02515	7.0
261.00388	4.5
270.98920	1.6
273.00296	2.1
274.01178	1.3
279.02908	2.2
282.98862	3.9
283.02267	1.6
283.99545	3.5
285.00330	18.1
295.02402	2.6
298.98181	1.5
299.98944	1.9
300.99881	6.5
303.01474	2.1
307.02383	2.9
309.03876	1.5
310.98264	5.1
322.01108	1.4
323.02011	4.3
325.03436	2.2
335.01950	3.8
348.99545	1.8
351.01492	6.2
379.00858	4.4
407.00534	8.6
419.06024	1.8
423.05435	2.0
425.01321	3.6
432.98245	2.8
450.99414	100.0
451.99820	7.0
547.42847	1.3
571.03271	2.8
613.04486	2.6
631.05719	75.6
632.06183	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	630.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74884	0.9
59.01394	1.5
61.98830	57.3
68.01131	1.0
88.86227	1.1
92.70670	1.0
93.03464	4.5
98.20676	2.3
101.02448	1.5
107.01373	1.5
107.20367	1.0
111.04581	1.0
114.94947	1.1
121.31364	1.1
123.00858	1.2
125.02435	4.4
137.02466	5.2
145.02971	1.9
151.00375	3.6
161.02412	3.0
163.00380	2.0
165.01976	1.7
165.05589	1.1
169.01436	3.4
169.91017	1.0
179.03523	2.3
179.65218	1.2
211.04016	1.9
227.03494	20.7
229.05046	3.8
239.03374	1.6
255.02982	35.5
256.03616	5.1
257.04544	4.0
281.06570	2.2
284.03253	54.0
285.04019	41.4
286.04410	2.1
335.93179	1.5
380.08041	1.0
567.11414	100.0
567.25262	2.9
568.11798	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	631.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19956	1.3
54.28054	1.5
59.01365	2.5
60.79351	1.6
62.26580	1.4
71.01394	2.0
79.92603	1.7
92.46686	1.4
95.01364	2.6
97.02987	1.6
109.02937	2.6
111.00886	3.3
113.02534	1.5
117.03440	1.8
123.00868	4.9
125.02420	3.0
135.04482	2.7
137.02339	1.8
139.00385	8.0
141.01967	1.5
145.02930	2.2
147.04485	1.6
149.02419	2.6
157.02980	2.6
159.04475	1.9
161.02461	3.5
163.00383	4.0
163.04025	3.5
164.98239	10.1
165.01955	3.1
171.00952	1.5
172.01552	1.7
173.02458	2.5
175.04030	2.3
177.01930	3.0
178.99879	2.7
179.03506	2.0
181.01404	4.5
185.02475	2.8
187.03976	2.3
189.01910	5.6
191.03488	6.6
191.05382	1.8
201.01903	3.8
202.99681	1.8
203.03508	2.1
211.04047	1.9
213.01933	5.4
214.02654	2.3
214.99873	2.6
215.03467	5.6
217.01421	5.5
220.01605	1.6
223.03897	1.9
229.01419	9.4
231.02933	6.6
239.03427	1.7
241.01378	2.6
243.02769	1.7
245.00975	3.7
247.02440	4.0
253.05016	1.8
254.99295	2.1
257.00955	7.8
259.02499	7.7
261.00494	7.9
267.03076	1.9
270.98828	3.0
273.00381	4.0
275.01935	2.6
282.98932	4.6
283.02332	1.8
283.99557	3.5
285.00363	19.8
289.07159	6.1
295.02368	3.3
297.04163	2.1
298.98544	3.7
299.99011	5.1
300.99899	11.7
303.01193	1.7
307.02499	2.8
310.98376	4.9
323.01978	5.7
324.02615	2.6
335.02142	2.3
351.01566	7.7
363.03217	3.1
379.00903	4.4
379.06415	1.9
381.02481	3.6
407.00385	6.2
408.01230	2.1
419.06149	2.2
423.05679	3.5
425.01419	4.5
432.98267	4.7
445.04013	1.7
449.02991	1.8
450.99420	100.0
451.99768	4.5
463.05484	2.1
587.06653	3.1
587.42944	1.9
613.04272	6.4
631.05719	89.8
632.06171	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	630.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
61.98831	54.4
62.24855	0.9
64.77979	0.7
65.00326	0.8
67.34391	0.7
69.57339	2.3
69.57757	2.9
83.01347	1.0
93.03446	3.9
96.96003	0.8
101.02439	1.1
107.01389	2.0
113.02448	1.0
119.05035	1.1
123.00850	0.9
125.02477	2.0
132.02179	1.2
135.04539	1.0
135.11465	0.8
137.02458	5.5
137.70259	0.8
145.02968	2.3
151.00345	3.7
161.02425	3.2
162.11560	0.7
163.00389	1.4
165.01976	1.2
168.00764	0.7
169.01378	2.4
171.04573	0.8
173.58081	0.8
179.03505	1.3
185.06039	1.0
187.04001	1.4
189.03471	0.7
199.03886	1.1
209.37146	0.7
211.04045	2.2
212.04805	0.8
227.03491	19.2
229.05096	4.9
239.03452	1.3
255.02977	37.9
256.03714	4.8
257.04465	2.8
281.06561	1.6
284.03262	57.2
285.04013	42.3
286.04437	1.6
300.99628	0.9
361.03439	0.8
472.83157	0.9
524.63080	1.0
567.11420	100.0
568.11700	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	630.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54694	0.9
59.01376	2.5
59.50795	0.9
59.58694	0.9
61.98829	30.3
65.00322	1.0
71.01377	2.8
71.53021	1.3
83.01392	1.9
85.02946	1.5
88.98798	1.2
89.02428	1.5
93.03474	5.2
95.01427	1.5
96.96004	3.5
97.02957	1.5
99.92589	1.1
101.02399	1.3
105.37594	0.9
107.01365	3.6
108.02164	3.0
109.02948	3.6
111.00883	1.4
113.02410	1.0
119.05070	2.5
121.02956	2.4
123.00877	1.1
125.02449	7.1
130.17461	1.2
135.04518	2.3
137.02490	2.6
148.01675	1.5
151.00388	13.4
151.03949	1.0
152.00742	1.8
153.01947	1.2
161.02409	3.4
163.00374	2.1
163.04034	1.1
165.01900	1.7
168.00574	1.1
169.01405	7.3
170.01694	1.4
175.04005	0.9
178.99850	4.9
179.03510	1.5
180.00108	1.1
181.05035	1.1
191.05582	3.2
192.05989	1.1
199.04063	1.8
201.11308	2.1
209.11829	3.9
211.03868	0.9
215.03430	1.3
226.02713	1.6
227.03459	3.4
228.03951	1.4
229.01453	1.3
243.02962	13.0
244.03290	4.4
244.81483	1.0
254.02202	2.9
255.02975	28.9
256.03308	9.8
271.02457	66.4
272.02847	19.2
273.03604	1.4
287.05725	1.4
299.01996	2.1
300.02731	100.0
301.03256	55.1
302.03781	10.9
313.05435	1.3
328.50912	0.9
339.57965	1.0
375.27652	6.5
376.27829	1.7
463.08810	3.7
464.09076	7.6
465.06802	3.0
466.06967	4.4
522.97888	1.0
567.11432	64.1
567.24353	4.5
568.11517	4.9
595.15149	1.2
629.18604	10.3
629.28741	1.4
630.19092	52.4
631.19836	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	629.3538
Annotation	Adociasulfate 9
Peak:m/z	Relative Intensity
55.01864	2.6
57.03450	3.2
58.00576	1.2
59.01379	47.1
59.57014	0.7
61.98830	3.5
63.94641	0.6
66.08024	0.6
68.99809	0.7
69.03443	0.7
71.01380	46.4
72.99322	3.4
73.02946	8.3
75.00853	0.7
83.01389	5.7
85.02948	17.2
87.00877	2.1
88.98795	0.7
89.02445	25.9
95.01384	5.1
96.96038	0.8
97.02985	0.7
98.20756	1.1
99.00871	4.1
101.02438	26.8
108.08011	0.8
111.00877	2.4
113.02451	17.8
119.03499	13.8
125.02419	1.1
129.01961	3.3
131.03464	1.0
143.03493	2.0
149.04523	1.0
159.02968	1.4
161.02409	1.6
161.04547	5.5
169.01405	1.2
179.05589	3.7
183.10199	0.8
200.67340	0.6
231.94536	0.7
323.89420	0.7
467.30103	17.4
468.30322	1.8
555.34717	0.6
629.35449	100.0
630.35876	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	629.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.5
61.96687	0.9
61.98821	3.4
67.01904	1.1
69.28553	7.6
75.00855	3.8
77.67708	1.0
93.03468	1.4
96.96009	1.2
98.33756	1.0
101.02431	0.9
109.02941	3.5
121.02974	1.1
121.59306	0.9
122.03752	1.9
123.00855	2.8
123.04515	1.8
124.01639	1.5
125.02467	1.3
131.71616	0.8
133.02895	1.1
134.03697	2.1
135.04524	1.9
135.63268	1.1
136.01663	2.2
137.02429	16.6
138.03181	2.1
139.00410	1.7
139.03998	3.3
146.03694	1.7
149.02423	3.0
149.06087	2.2
150.03239	6.6
151.00359	14.3
151.03969	2.4
153.01981	2.7
153.05560	3.4
161.02414	2.2
162.03242	1.6
163.00386	8.6
163.04018	1.3
164.01143	2.0
164.04750	2.9
165.01924	100.0
165.05557	6.0
166.02705	30.7
167.03433	1.3
169.01445	1.2
175.03915	1.2
177.01848	2.1
177.05501	2.1
178.02715	16.2
179.03487	19.4
179.07123	4.1
180.04286	58.1
181.01572	4.9
181.05061	72.3
182.05368	2.4
183.06557	3.7
186.68863	0.9
189.02011	1.1
190.02751	1.1
191.03511	1.3
192.04289	1.0
193.01427	15.5
193.05055	16.9
194.05759	4.5
195.02965	4.8
195.06615	71.6
196.03746	7.2
196.06873	1.6
203.03448	2.9
207.02966	14.1
207.06551	2.6
208.01730	1.1
208.03760	22.6
209.04372	1.0
209.08148	1.1
210.05334	14.6
211.06097	25.5
217.01392	1.5
218.05716	1.4
221.04436	1.3
222.05327	8.9
223.06105	64.0
224.06473	3.4
225.07671	74.2
226.04939	1.0
226.07947	3.0
227.03459	1.0
227.45795	0.9
233.08145	2.2
236.06827	1.0
237.07622	1.3
239.05533	1.8
241.07166	27.6
242.07210	0.9
251.09442	4.9
255.02959	1.1
270.05365	1.1
284.03250	3.5
284.06854	3.9
285.03995	2.0
285.07452	1.8
292.27505	1.0
295.06021	1.3
299.09241	6.7
300.09753	1.7
315.12213	1.3
317.10349	1.0
328.09445	1.7
331.11804	1.2
340.09705	1.7
341.06503	2.0
342.07416	1.2
343.11880	1.2
358.10504	3.5
359.11380	4.4
373.12869	17.1
374.13010	1.0
389.12311	9.3
393.05859	2.4
401.12335	4.8
403.13895	17.5
404.14041	1.5
407.13400	6.7
419.13275	3.3
433.14993	2.9
437.14465	2.3
448.61194	1.0
449.14386	13.9
467.15210	4.4
477.13751	2.1
487.10489	2.0
498.74429	0.9
581.19861	1.6
593.13159	1.9
629.22522	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	629.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43364	0.7
57.03421	0.7
59.01371	2.7
61.98832	8.4
65.00329	1.7
67.01891	1.4
69.03451	1.1
71.01369	2.2
77.60780	0.6
83.01376	1.0
85.02945	1.0
87.00856	2.8
88.98789	1.1
89.02454	0.8
93.03464	10.4
96.96008	2.6
97.02937	0.7
98.20776	1.5
99.00881	0.8
101.02403	0.8
107.01383	4.2
108.02178	2.1
109.02927	2.3
111.04506	1.6
113.02456	0.8
117.03442	0.9
119.05044	5.4
121.02940	1.9
123.00861	1.8
125.02449	11.0
125.40978	0.7
135.00829	0.7
135.04445	1.4
137.02432	1.8
139.00383	1.3
145.02913	1.0
147.04550	1.4
148.01645	1.3
149.02397	0.9
150.03194	1.4
151.00392	11.0
151.04022	0.8
153.01955	1.1
153.05544	0.8
161.02486	3.1
161.04530	0.9
163.00383	2.0
163.04019	4.0
164.01140	1.1
165.01956	0.8
165.05576	1.5
168.00656	0.7
169.01422	14.8
173.04530	3.8
177.01849	0.6
178.99832	4.2
179.03404	0.7
179.07056	1.5
180.04156	0.8
181.05144	0.8
187.04092	0.9
191.05600	9.8
193.01424	1.6
193.04967	0.8
199.03973	1.4
201.05516	0.8
201.11320	3.5
209.11790	2.1
211.02330	1.0
211.04126	0.7
215.03389	0.9
223.06129	0.8
226.02657	3.0
227.03590	3.5
239.05672	1.3
243.02971	12.3
244.03580	0.7
254.02205	2.7
255.02972	25.4
256.03387	1.3
271.02466	66.2
272.03058	4.2
283.02365	0.7
284.03268	0.9
285.03992	1.0
299.01968	2.4
300.02731	100.0
301.03470	27.8
302.03839	1.0
313.05777	4.5
315.25037	0.8
337.09149	1.1
375.27615	3.5
463.08917	11.2
465.06738	17.8
466.07074	1.4
567.11487	9.0
629.18732	85.9
630.19226	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	629.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16888	1.8
59.01376	4.6
61.98836	23.4
65.00362	1.6
67.01894	2.0
67.04048	1.6
67.58553	1.7
71.01382	3.9
71.05011	2.6
71.53667	2.6
74.17505	1.5
80.91716	1.9
82.26823	1.6
83.01384	2.8
85.02954	2.2
85.19271	1.5
88.81341	1.7
88.98797	1.7
93.03465	6.7
95.01388	4.7
95.15965	1.9
96.96012	9.2
97.02938	2.4
99.00923	1.6
100.54202	1.4
107.01405	2.5
108.02190	3.0
109.02940	3.0
111.00912	2.1
113.02446	2.2
117.03461	2.3
119.05035	2.2
121.02917	10.0
122.03732	13.7
123.00910	7.5
123.04558	2.6
124.01707	2.2
125.02422	8.8
126.90391	1.7
135.04526	3.2
136.01712	2.4
137.02451	10.1
138.03236	6.1
139.00389	8.0
139.04005	18.8
141.58286	1.7
145.02986	5.4
147.04558	4.6
149.02440	22.0
150.03226	90.7
151.00385	18.8
151.04004	4.3
152.01144	2.6
153.01968	5.8
153.05597	3.7
159.04524	4.1
161.02480	5.3
162.03226	3.8
163.03986	2.7
164.04790	3.3
165.01933	8.6
165.05565	92.4
166.02702	29.9
166.05861	3.1
169.01451	5.7
175.04037	6.6
177.01953	5.3
177.05597	2.2
178.02701	4.2
178.99918	3.3
179.03615	4.3
180.04314	12.6
181.05069	64.5
189.01990	2.6
190.02609	2.8
191.03540	9.4
191.05545	2.3
192.04301	9.8
193.05078	4.8
195.06609	36.1
195.08298	2.2
196.06894	2.2
203.03537	19.0
204.04135	2.6
205.05116	3.9
207.06596	9.7
207.46234	1.8
210.05489	2.4
211.06102	2.3
217.05206	2.5
218.05824	17.6
219.06598	2.5
221.04630	7.1
223.06158	4.7
225.07777	5.5
226.02744	2.1
227.03540	4.8
233.08205	21.5
235.06183	3.4
236.06866	15.1
243.03006	4.8
251.09225	61.5
251.11758	3.4
252.09653	3.1
255.03021	15.0
271.02493	17.8
272.03201	1.8
284.03198	8.1
285.04141	10.8
296.06253	5.7
300.02686	24.6
301.03397	11.6
311.60870	1.9
355.08423	1.8
357.09772	2.5
358.10696	7.0
373.08975	1.9
373.12830	10.3
385.13055	4.6
387.11172	2.4
403.14114	6.6
417.11871	3.0
431.13330	4.0
432.14166	6.2
433.15009	36.7
434.15424	3.9
508.75797	1.9
564.74890	1.8
567.11621	5.3
581.20276	3.1
593.12866	8.3
597.19647	4.8
629.22516	100.0
630.22693	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	627.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.4
59.01376	53.0
61.98793	1.3
71.01382	21.9
72.99316	5.8
73.02924	1.3
75.00876	17.0
83.01402	2.7
85.02953	11.3
87.00867	5.2
89.02444	13.9
95.01371	2.0
99.00869	6.0
99.04492	6.1
101.02419	7.1
111.00840	1.3
113.02428	4.8
119.03497	3.9
121.02959	1.3
123.00867	1.5
123.04543	1.4
125.02413	2.3
129.01923	9.0
131.90697	1.2
133.02960	2.5
135.03003	1.5
135.04497	1.7
141.01938	1.4
149.02397	1.2
150.03210	2.2
159.02966	3.6
161.02441	6.5
165.01874	2.3
165.12839	3.4
168.00620	1.2
168.93707	1.0
169.01344	2.3
177.04012	9.5
177.92935	1.2
183.04411	1.3
189.12849	1.4
195.03497	1.8
195.05121	17.4
195.06738	1.8
201.05591	1.4
207.13914	7.5
209.11810	21.1
211.03967	1.5
225.14967	7.1
229.05061	1.5
237.06133	1.9
251.12863	4.5
269.13928	34.0
271.02521	1.6
273.04138	1.5
275.01996	1.7
300.02884	1.3
300.99826	3.1
301.03082	2.4
429.17691	1.7
431.19110	1.6
447.18484	3.7
449.20242	42.1
450.20563	3.1
463.09055	1.7
475.14517	6.4
609.23608	5.7
627.24969	100.0
628.25360	6.3
657.47742	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	627.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.0
59.01378	43.5
69.03458	1.3
70.90414	2.3
71.01003	1.8
71.01376	19.6
72.99280	2.3
73.02937	1.1
75.00871	10.3
76.99667	0.9
81.65247	0.9
83.01366	1.9
85.02947	11.7
87.00877	8.3
88.42171	0.9
88.98808	1.6
89.02442	12.4
97.02934	2.5
99.00901	5.5
99.04488	5.0
101.02453	7.3
104.34531	0.9
108.02847	1.1
111.00895	1.2
113.02428	3.7
119.03514	2.4
129.01947	9.9
141.01930	3.3
159.02962	3.4
161.02444	1.3
165.12822	2.6
177.04044	37.2
189.12909	1.3
191.05560	1.2
195.05077	6.0
207.13980	5.3
209.11835	14.6
225.15012	4.9
251.12856	3.6
269.13928	17.5
279.04279	1.2
429.17694	7.2
447.18756	7.4
449.20279	16.1
463.08768	2.0
574.06860	1.2
609.23877	8.9
627.25031	100.0
628.25354	7.7
644.40668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03937	29.1
57.57617	26.8
61.98835	34.1
69.85918	68.5
69.86301	100.0
75.57639	26.1
78.95895	86.6
85.16797	27.2
98.97822	29.4
108.63342	27.3
139.99127	26.2
140.83182	30.5
142.44499	26.3
152.99529	44.1
654.57855	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1143
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.08901	1.3
59.01367	1.7
61.98815	2.5
67.33704	1.6
69.23925	10.8
69.24338	2.3
69.37127	1.3
71.01386	3.8
81.03474	1.3
83.01376	2.3
85.02946	1.5
87.00796	1.4
89.20444	1.2
93.03458	1.5
96.95976	1.5
97.02951	1.9
98.20660	3.1
99.00890	1.4
101.02436	2.4
107.01389	8.8
109.02940	3.4
111.00887	1.8
113.02453	2.6
117.03475	6.5
119.05025	9.0
121.02948	2.3
123.00909	11.1
123.04454	1.4
124.01688	2.4
125.02442	76.3
131.04958	1.6
133.02931	2.7
135.02982	1.4
135.04465	1.9
136.98862	2.0
139.00407	6.1
140.01103	3.9
145.02943	21.0
150.03165	1.5
151.00331	7.6
153.01912	4.9
159.04550	2.1
161.02428	7.9
163.03987	7.1
164.79198	1.3
165.05513	1.4
166.60994	1.5
166.99863	1.4
167.03474	1.8
168.00691	10.1
169.01411	100.0
170.01694	1.8
177.02065	1.4
179.03473	2.2
187.04030	3.5
193.01393	2.2
194.17709	1.3
203.03526	1.8
211.02475	19.1
227.03444	1.8
241.03397	1.8
253.03308	1.5
255.02734	1.3
271.04611	16.7
272.91544	1.4
285.04089	1.3
295.04532	6.4
297.06155	2.7
313.05634	32.3
328.43091	1.4
328.90732	1.4
352.81357	1.5
459.09314	36.0
460.09662	2.1
465.06689	58.1
466.06903	4.4
477.10394	8.7
528.19885	1.8
629.11414	71.9
630.11755	6.1
635.04340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01047	0.6
59.01354	0.6
66.07398	0.6
71.51489	0.6
71.51843	0.8
92.36928	0.6
108.02165	49.7
109.02982	8.7
123.22276	0.6
133.02927	0.9
151.03987	1.0
152.01141	39.5
153.01939	21.1
163.04007	1.1
165.01952	1.3
202.72356	0.7
211.77299	0.7
243.71233	0.6
248.43501	0.6
285.06152	100.0
286.06647	3.3
294.08496	0.6
395.92883	0.6
400.12421	0.7
627.14777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2097
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
61.98822	0.8
70.68240	0.8
73.02929	1.2
185.66167	0.5
252.78348	0.3
347.39380	0.4
437.12454	1.2
438.13336	1.1
449.15637	0.6
451.13965	1.8
452.14929	3.1
465.15796	0.9
466.16989	0.5
469.11057	0.5
479.17856	0.8
480.14243	0.8
481.14923	8.3
482.15121	1.1
484.13663	0.5
493.15213	1.5
495.16721	16.4
496.17084	3.0
507.16403	0.9
508.17886	2.6
509.18164	1.7
512.13593	1.2
519.16400	0.5
521.14801	1.0
523.16602	0.8
525.13721	0.5
526.14844	1.2
528.16510	0.4
533.18451	0.8
535.16229	2.4
536.16724	2.6
539.15466	0.6
540.16888	2.7
551.19354	44.0
552.19690	4.8
553.17468	0.8
554.17499	1.0
555.18817	1.0
568.15942	1.4
572.15546	3.0
586.17212	2.3
595.09430	0.3
595.18286	9.4
596.18738	1.6
627.20917	100.0
628.21179	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	627.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33167	1.2
51.58176	1.5
57.03448	18.0
59.01360	2.2
61.98815	5.9
65.00294	3.0
69.37402	9.0
71.01373	3.2
71.05031	1.3
80.96520	1.7
83.01380	4.9
85.02951	2.1
88.98772	1.8
93.03466	2.3
95.01376	2.5
107.01360	3.2
109.02949	5.3
111.00859	2.4
117.03468	4.1
119.05006	11.1
121.02939	3.6
123.00920	2.4
123.04514	4.3
124.01659	5.1
125.02447	100.0
126.02758	2.2
128.55327	1.2
133.02954	27.2
135.04543	18.9
137.02435	5.0
139.00365	2.6
139.04024	8.4
145.02953	11.1
146.03737	2.6
147.04504	3.7
149.02426	8.3
150.03206	4.8
151.00368	13.3
151.04002	6.9
152.01157	12.9
153.01907	8.0
159.04449	1.8
161.02443	65.8
161.06070	5.3
162.02736	1.4
163.00325	5.7
163.03990	10.5
165.01894	3.6
165.48717	1.4
169.01408	3.1
171.04541	2.8
172.05205	2.3
173.02484	1.3
173.06052	1.5
174.03194	5.5
175.03967	15.1
176.01108	5.1
177.01945	16.5
177.05545	2.3
178.99858	11.8
179.03513	8.6
179.07159	1.5
187.03952	1.5
188.04738	3.8
189.05573	19.8
191.03427	2.3
193.05075	1.6
199.03984	5.0
201.01933	2.5
203.06998	1.6
213.05637	3.1
215.03491	3.5
215.07146	2.1
216.04187	3.7
217.05048	51.0
218.02113	3.3
219.02888	2.8
221.04567	3.5
227.03468	1.7
231.02829	1.5
231.06534	4.9
240.04337	2.5
241.05109	8.5
243.03015	3.5
255.02890	3.1
256.03687	2.6
257.04523	3.4
258.05142	1.9
259.06088	37.1
267.02899	1.5
271.02542	1.9
275.01990	1.5
275.05560	4.9
284.03223	11.7
285.04034	99.7
286.04294	4.9
300.02609	3.5
301.00000	1.6
301.03497	4.8
303.04990	7.6
307.08234	4.0
323.07642	12.9
339.07086	2.1
381.08392	2.0
421.11322	8.5
437.10849	5.8
447.09286	37.8
448.09482	2.8
463.08649	2.5
465.10361	48.3
466.10580	1.9
471.12930	3.7
473.10742	4.0
475.12747	1.5
483.79660	1.3
491.12106	4.6
501.10507	6.8
583.14618	8.4
584.14758	2.0
609.12476	37.9
610.13000	3.5
627.13525	95.5
627.25598	3.9
628.13818	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11869	0.6
59.01374	2.3
61.98829	5.9
65.00314	0.7
67.01878	1.1
68.99818	0.8
69.03455	2.8
69.47459	5.1
71.01383	3.4
73.02966	1.1
75.00871	0.6
75.14037	0.6
78.21202	0.6
79.01898	1.1
81.03478	1.9
82.81076	0.6
83.01386	1.6
85.02965	1.9
88.98787	1.8
89.03957	0.7
93.03458	16.8
93.04034	1.3
95.01407	2.7
97.02949	2.3
98.20678	1.1
99.00887	0.9
101.02460	1.7
107.01389	5.9
108.02153	1.4
109.02944	1.5
111.00893	2.3
113.02455	3.1
116.92880	0.7
117.03477	2.9
119.05023	9.5
121.03014	0.8
123.00889	10.2
123.04523	1.3
124.01662	1.6
125.02446	73.8
126.02760	1.3
132.02182	1.6
133.02988	2.0
133.06615	0.8
134.03737	15.6
135.03001	0.7
135.04495	2.9
136.01656	1.8
136.64854	0.7
136.98866	1.3
137.02438	27.6
138.02806	0.8
139.00391	3.2
139.03983	0.8
140.01154	2.5
141.01961	0.8
145.02936	5.3
146.11398	0.7
147.04489	1.8
149.02402	1.0
149.06030	1.9
151.00371	5.5
151.04094	1.0
152.01161	1.4
153.01915	1.5
159.04523	1.0
160.01686	7.1
161.02460	7.2
163.04001	6.8
165.01959	1.5
166.02657	0.7
166.99886	3.3
167.03490	6.9
167.14323	0.8
168.00598	8.1
169.01419	100.0
170.01720	1.1
174.03241	0.7
175.03973	7.2
176.04753	1.0
178.02754	1.3
179.03436	4.9
183.02974	2.9
187.03932	1.4
191.03488	0.8
193.01436	3.8
193.05058	10.1
194.02077	0.9
202.02701	1.5
203.03590	0.9
203.33290	0.7
205.05040	0.9
209.04564	1.4
211.02423	8.5
217.05078	2.8
227.08615	0.8
235.06055	0.7
239.05576	2.1
243.02863	0.6
271.30096	0.7
281.06616	2.0
295.04697	4.9
313.05399	1.1
327.46252	0.9
433.07706	68.2
434.08105	4.1
443.09906	5.2
457.11331	2.4
463.08755	13.4
464.09198	0.9
626.27118	0.8
627.13458	27.0
627.27893	3.4
628.13788	2.7
644.88977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03428	0.7
59.01379	21.3
63.02389	1.0
65.00321	2.5
69.03453	1.1
69.53779	1.7
69.54198	2.8
71.01019	0.8
71.01385	14.1
72.99311	0.8
73.02938	2.5
81.03429	1.3
83.01392	3.3
85.02959	3.3
87.00867	2.9
89.02445	11.0
95.01363	1.4
96.06285	0.7
97.02940	2.1
101.02447	10.8
107.01372	5.4
109.02930	1.3
109.77651	0.7
111.08103	0.9
113.02443	5.1
119.03517	3.9
121.02926	2.3
125.02415	3.3
131.03494	0.7
133.02974	3.8
135.04520	2.7
137.02405	1.2
143.03502	1.7
150.55832	0.7
151.00368	16.7
161.02429	8.7
161.04503	1.6
165.12860	9.2
178.86836	0.6
178.99866	10.6
179.03471	1.6
179.05560	1.1
183.13892	63.1
184.14253	1.5
209.11809	0.8
221.06763	0.9
226.31049	0.8
226.75043	0.7
227.03455	1.2
227.12863	7.9
235.08224	1.6
255.02936	2.6
271.02484	2.6
300.02725	6.4
301.03513	51.9
302.03809	3.1
323.07684	3.1
397.13470	6.5
415.14551	5.1
431.80536	0.7
463.08810	5.9
468.97501	0.7
475.09180	0.9
499.17404	0.8
503.08124	1.4
519.26508	0.8
607.26202	0.8
625.12103	22.1
625.27106	100.0
626.12292	4.0
626.27368	7.9
628.21075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33026	0.6
57.03445	0.6
58.00591	0.9
59.01377	19.0
61.98814	2.0
69.03455	1.2
69.33153	0.9
69.33569	3.7
71.01009	1.0
71.01380	12.4
73.02934	2.6
81.91614	0.5
83.01366	1.6
85.02930	3.6
87.00877	2.9
89.02444	10.4
93.03414	1.3
95.01391	0.9
97.02921	2.2
99.00869	0.9
101.02440	9.1
108.16892	0.6
111.00842	0.6
111.04445	0.8
111.08132	1.1
113.02438	5.0
119.03492	2.9
125.02449	3.0
133.02946	0.7
137.02513	0.6
151.00378	0.8
161.02397	1.8
161.04503	1.4
161.24496	0.6
163.04106	0.7
165.12843	9.9
179.05653	1.0
183.13893	66.3
184.14232	1.6
209.11818	0.9
221.06578	0.7
227.03465	0.6
227.12891	8.8
235.08112	1.7
239.03612	0.7
253.09241	0.9
255.02873	0.7
269.04559	0.8
301.03433	2.9
309.03900	0.8
317.08163	0.8
369.06049	0.7
373.14923	0.6
385.05627	1.5
389.06674	3.0
397.13474	6.6
402.07144	0.7
403.13745	1.0
415.14523	3.8
430.06589	1.1
431.07526	0.7
462.09293	1.1
531.11182	2.4
598.19049	0.7
607.26233	0.7
625.15558	10.2
625.26984	100.0
626.15857	2.1
626.27356	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	626.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90364	0.7
57.84550	0.6
61.51011	0.7
61.98831	100.0
62.96931	0.8
70.93129	1.5
73.94785	0.7
78.95930	1.1
88.43118	0.6
106.10363	0.7
113.42728	0.7
132.76906	0.7
152.99597	1.3
176.61964	0.8
182.18498	0.7
198.11932	0.7
212.13371	0.9
218.29993	0.7
226.81546	0.7
238.14706	0.8
238.48369	0.7
255.71953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	8.9
59.01374	4.0
61.98816	6.5
63.02368	1.6
65.00325	5.0
71.01382	3.2
71.52583	1.6
71.53025	2.3
73.00220	1.6
77.68964	1.4
78.20171	1.4
83.01373	5.9
83.26145	1.5
85.02946	1.9
90.35522	1.4
95.01404	2.9
103.34872	1.6
107.01377	7.9
109.02946	5.1
117.03487	2.1
119.05014	3.3
121.02945	4.5
123.04489	4.7
125.02449	100.0
133.02957	11.1
134.03809	1.9
135.04492	7.6
137.02425	4.5
139.04005	3.1
145.02942	7.7
147.04561	4.2
149.02463	10.9
151.00365	32.1
151.03986	4.2
152.01099	3.9
153.01945	32.1
157.02974	1.7
159.04526	1.8
160.01610	2.4
161.02438	29.4
163.00372	16.1
163.03970	3.0
167.03529	2.0
169.01422	3.2
173.02353	2.1
174.03134	3.2
175.00293	1.9
175.04015	18.9
176.01097	6.3
177.01944	22.7
178.99881	27.9
179.03448	5.7
181.01352	1.9
189.01970	1.7
189.05577	5.5
191.03535	2.9
191.05597	3.2
197.06046	2.9
199.04022	9.9
200.43275	1.8
201.01907	5.8
203.03445	6.0
205.01344	2.0
213.01820	2.1
213.05510	2.2
214.02794	2.3
215.03554	1.9
216.04355	2.4
217.01573	2.1
217.04991	11.4
219.03021	2.1
221.04344	2.3
229.01363	7.4
231.02962	2.8
231.06517	2.1
241.05052	9.3
243.02867	1.8
245.00993	2.3
249.04134	1.7
257.00876	5.4
258.01620	4.0
259.06110	3.7
271.02133	1.5
271.09714	2.6
275.01953	26.1
275.05533	18.0
283.02386	2.2
284.03192	6.2
285.04016	60.8
299.05545	3.5
300.96719	3.3
300.99921	48.6
303.05087	46.5
304.05423	2.5
307.08322	3.9
323.07742	19.1
351.04224	1.9
465.11746	2.3
475.08932	3.8
476.09268	2.9
477.10263	7.1
487.08759	14.8
488.09293	2.9
499.39258	1.6
503.07971	3.8
505.09824	6.8
599.13879	15.2
609.12408	44.5
610.12982	3.8
627.10852	24.3
628.11133	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	625.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	1.0
69.36570	2.0
69.36997	1.1
83.01364	0.5
93.03481	0.6
107.01387	1.9
109.02962	1.5
121.02931	1.1
123.00877	0.5
133.02888	0.6
149.02432	0.6
151.00366	7.5
159.04448	0.6
163.00299	0.6
163.03900	0.6
169.01364	0.5
171.04480	0.9
173.02556	0.5
173.06181	0.5
175.00264	1.1
175.03983	0.8
178.99826	1.4
187.04001	1.1
191.05583	0.8
193.01408	0.7
199.04019	3.1
201.01984	0.8
203.03542	0.8
211.03955	0.5
215.03479	1.6
226.02687	1.1
227.03462	3.3
227.95909	0.4
229.04945	0.6
243.02954	3.7
255.02971	2.5
271.02463	58.9
272.02753	2.5
272.32440	0.5
297.03946	0.4
299.01944	100.0
299.99167	0.8
300.02603	14.7
301.03503	41.6
302.03983	2.0
313.03342	0.7
343.04544	1.7
462.08011	28.8
463.08810	38.3
464.09445	2.0
505.09698	0.8
568.94580	0.4
625.14063	77.4
626.14386	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	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32143	0.8
69.86212	1.7
69.86617	2.2
79.32002	0.7
98.41289	0.7
107.01380	2.7
151.00372	9.1
163.00398	1.3
171.04570	1.4
175.00401	1.0
178.99883	1.5
199.03972	3.9
201.02022	1.2
215.03546	1.4
226.02748	1.4
227.03447	3.8
243.02974	3.8
255.03023	1.8
257.04620	1.0
271.02478	58.1
272.02917	2.4
285.03970	0.8
299.01956	100.0
300.02603	15.3
301.03503	43.6
302.03922	1.7
313.03375	1.0
343.04407	1.3
462.07980	22.5
463.08783	36.5
464.09183	2.6
505.09842	1.8
625.14075	72.1
626.14246	7.7
639.67267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01159	7.4
59.01380	77.1
69.18925	68.2
69.19340	17.5
71.01368	23.9
73.02940	13.2
75.00842	17.5
83.01389	12.0
85.02944	19.0
89.02434	10.3
91.17798	8.3
95.01350	10.4
101.02420	20.5
108.66667	7.5
119.03392	10.0
121.02926	10.9
125.02426	20.1
133.02963	17.5
135.02951	14.1
149.02448	51.7
150.03229	82.0
151.04019	7.5
161.02411	24.2
164.04759	15.1
165.01877	16.6
165.05577	58.6
169.01466	9.8
179.03517	9.0
180.04210	16.2
181.08662	8.4
188.12094	8.2
193.05089	9.1
195.06593	51.4
209.11795	23.1
225.07661	8.2
271.02606	35.4
300.02579	40.1
301.03339	25.5
325.12814	9.5
329.13882	17.3
343.14267	8.1
345.52390	7.6
403.13947	12.3
421.15158	10.1
473.18109	100.0
491.19217	56.2
493.19666	14.5
533.20154	52.6
581.22406	34.0
625.13715	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02881	3.1
59.01388	21.8
59.81495	3.5
61.98830	6.9
71.01376	16.6
71.52469	5.7
73.02972	3.7
75.00864	4.2
83.05028	5.2
83.10522	3.2
85.02959	4.6
89.02448	10.1
95.39585	4.0
99.00889	4.5
101.02436	6.8
111.27933	3.4
113.02413	5.2
113.50977	3.4
119.03530	4.2
122.03748	6.4
125.02438	8.0
133.02936	6.0
149.02423	11.3
150.03238	31.2
154.21858	3.0
161.02382	6.5
164.14261	3.7
165.05588	28.5
195.06557	19.1
209.11844	70.4
227.12910	9.0
257.75787	4.0
271.99747	5.1
299.99173	42.2
300.99915	100.0
301.03253	8.4
397.13443	15.0
403.13904	6.6
415.14545	8.8
463.04907	20.2
473.18152	14.2
491.19086	7.2
533.20367	6.7
625.08313	50.0
625.24200	5.9
626.08862	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	623.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45324	2.8
54.24091	2.3
59.01375	13.0
68.81026	2.3
69.30271	22.1
71.01366	9.6
72.99307	3.7
73.72710	2.3
75.00875	29.4
79.77858	2.2
82.99908	2.4
83.00394	2.4
89.02443	9.8
89.03942	2.9
103.73183	2.9
111.32690	2.5
117.88469	2.9
119.05023	31.8
133.02957	12.8
134.03645	2.9
135.02982	100.0
135.04506	67.6
135.18651	2.7
135.57999	2.8
137.02423	4.0
149.06058	5.4
161.02437	45.1
161.46835	2.7
163.04015	65.4
177.05562	12.9
179.03496	79.4
180.03691	3.5
221.04529	17.2
251.05577	31.2
281.03677	4.0
281.06653	51.2
341.08768	70.9
505.14038	3.0
608.19257	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	623.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	16.1
59.22297	3.0
69.22288	21.2
69.22714	7.3
71.01375	16.4
72.99343	7.8
73.02930	5.8
75.00856	24.4
85.02948	4.7
87.00888	6.0
89.02458	13.8
93.03459	3.5
98.19830	5.0
109.02943	14.1
117.01925	9.1
119.05025	45.4
119.97397	2.9
125.02449	5.2
130.20409	2.8
133.02946	13.9
135.02989	100.0
135.04520	63.1
135.24535	3.6
136.03253	2.9
137.02428	4.8
138.32092	3.2
149.06044	12.0
161.02443	57.2
163.04016	85.6
163.05420	4.0
177.05551	22.9
179.03502	73.3
180.03741	3.2
185.49411	3.0
191.05698	6.7
195.05135	3.5
221.04562	39.2
224.64154	3.1
227.07149	4.7
251.05574	36.4
281.06656	95.7
296.11566	3.8
307.57767	3.9
337.94489	3.5
341.08798	66.8
342.09323	4.7
521.31714	3.3
623.15753	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	624.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84510	0.5
61.98832	100.0
69.67811	0.5
108.81634	0.5
205.86998	0.5
318.92896	0.5
375.59622	0.5
459.69000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02864	0.4
54.04717	0.4
59.01381	0.8
61.98830	100.0
63.20957	0.4
71.76496	0.4
77.94257	0.4
95.45155	0.5
98.20766	0.8
126.15618	0.4
128.54533	0.5
171.42360	0.4
350.16733	0.5
395.75668	0.5
395.80969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18119	2.5
53.64840	2.4
59.01366	6.2
60.15367	2.7
61.98829	100.0
69.98389	12.2
106.99935	3.0
152.99544	3.3
184.04631	2.7
192.66455	2.2
613.35925	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	625.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96687	0.6
59.01381	0.9
59.01923	0.7
61.98819	1.0
63.02392	0.9
65.00320	2.3
68.92735	0.6
69.51340	4.1
81.69098	0.7
83.01390	2.0
93.03450	1.3
98.20644	0.9
107.01402	4.6
108.02213	1.8
109.02954	2.3
121.02946	2.8
124.01613	0.8
133.02939	4.6
135.04515	3.2
137.02467	1.1
148.01653	1.6
149.02443	1.4
150.99182	1.4
151.00378	17.8
153.39369	0.7
161.02452	10.6
163.00363	2.4
167.30841	0.6
169.01471	0.8
178.99854	8.3
179.03485	2.4
190.99855	0.9
192.00523	1.2
199.04010	1.2
211.04028	0.8
213.01964	0.9
216.04382	0.8
226.02719	0.9
227.03496	2.8
229.04930	1.0
243.02962	9.0
245.04500	1.2
254.02150	1.5
255.02965	28.7
256.03333	1.4
257.04544	0.8
271.02457	50.2
272.02921	3.4
273.04050	1.7
283.02393	2.3
299.02072	1.0
300.02731	100.0
301.03500	63.4
302.03903	2.7
323.07733	2.7
359.23907	0.7
368.07492	0.7
436.41476	0.8
463.08810	92.1
464.09088	6.9
507.28302	1.2
537.62433	0.7
625.11957	52.1
626.12140	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	622.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.2
61.98829	100.0
68.06684	0.6
69.31326	1.7
69.31741	3.1
71.01394	2.0
73.02962	0.9
76.46515	0.5
85.02958	1.0
89.02444	1.5
101.02458	2.5
113.02407	0.9
118.22133	0.5
118.89962	0.7
119.03459	0.7
144.28235	0.6
145.02943	1.0
149.50558	0.5
161.04614	1.9
166.09422	0.6
170.43822	0.6
214.08302	0.6
314.58707	0.5
410.07391	0.5
455.31992	1.9
456.32040	0.7
474.68118	0.6
497.39542	0.5
499.30655	1.3
559.32874	10.8
560.33569	0.6
622.39496	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65665	0.7
59.01382	3.9
61.98829	18.3
65.00319	1.0
65.53090	0.7
73.02970	0.9
76.37910	0.7
78.95886	0.8
87.00845	0.8
88.98799	5.2
89.02437	1.0
93.03452	1.5
95.32121	1.0
95.76869	0.8
98.20647	2.0
107.01382	1.1
113.02457	1.5
115.00352	1.0
116.92845	1.4
117.03473	22.5
119.05029	15.6
123.00878	0.8
125.02450	2.5
132.02193	1.3
133.02953	2.4
133.06549	1.7
134.03758	2.0
135.00885	1.3
135.04521	2.9
137.02420	1.7
145.02950	100.0
146.03333	2.7
151.00406	3.9
153.01935	0.8
159.04478	1.6
160.01628	1.5
161.02460	7.6
161.04633	1.0
161.06062	3.5
163.00194	0.9
163.04010	16.3
164.04300	1.3
169.01428	3.3
175.02545	1.9
175.03986	3.8
177.05539	1.9
179.03470	2.8
185.06087	1.4
187.03966	6.2
195.06523	0.9
200.04666	0.9
205.05077	3.3
211.04016	2.0
221.04465	1.1
225.89429	0.8
227.01349	1.2
227.03496	19.3
228.03793	2.0
229.05020	4.0
235.06096	2.3
255.02975	33.9
256.03693	4.0
257.04504	1.8
265.07156	4.7
283.02704	1.1
284.03244	33.0
285.04044	33.7
299.05557	5.3
307.08292	10.5
313.05786	0.8
315.04865	1.1
323.07684	8.5
325.09241	2.2
337.09375	1.5
411.10959	3.8
447.09662	1.3
459.09378	5.7
470.03781	0.9
471.12924	42.5
472.13318	2.6
623.14032	34.0
623.24353	1.3
624.14520	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	623.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
61.98823	2.7
63.02411	1.4
65.00321	1.2
70.96268	1.4
75.75044	0.7
77.43164	0.7
80.79533	0.7
81.95922	0.7
83.01381	2.1
85.02938	0.9
93.03444	2.1
101.02446	0.7
107.01395	4.7
108.68324	0.7
109.02998	0.8
117.03450	0.9
125.02448	1.4
126.55589	0.7
132.02179	3.0
133.02975	2.7
134.03723	3.7
135.00806	1.7
135.04533	4.8
143.04964	1.0
149.06029	0.8
151.00400	5.9
157.73012	0.7
159.04486	3.0
160.01643	6.7
161.02434	10.2
163.00356	2.8
164.01163	1.4
165.01920	1.2
165.05618	1.0
167.04987	1.4
169.01369	0.9
169.06606	0.8
171.04549	0.9
174.03041	0.7
175.04016	6.7
178.02669	0.8
179.03513	4.4
183.04500	2.9
185.06056	2.1
187.03983	3.0
189.05453	1.0
193.05028	2.0
195.04385	0.8
197.06107	1.1
199.03958	1.1
211.04073	3.4
212.04811	1.1
213.05565	2.8
221.04573	2.1
227.03488	55.1
228.03992	2.9
229.05038	10.4
239.03506	2.7
240.04066	0.9
241.05075	1.9
255.02969	96.2
256.03659	11.2
257.04507	8.2
267.02887	1.0
283.02386	3.7
284.03238	91.8
285.04019	100.0
286.04453	4.3
298.04846	2.8
299.05554	15.7
323.07697	19.4
324.08127	1.4
337.09430	4.4
447.09232	3.5
461.10803	1.5
515.17218	0.7
546.08307	0.8
623.14001	95.4
624.14539	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	621.4009
Annotation	Beesioside A
Peak:m/z	Relative Intensity
55.01871	1.2
57.03447	30.4
58.00578	0.9
59.01377	15.4
61.98824	3.9
63.96220	0.4
67.53526	0.4
68.99561	0.4
71.01380	11.7
71.05020	2.3
71.53371	0.6
72.99294	1.7
73.02939	4.5
78.95892	1.8
83.01389	3.7
85.02949	8.3
86.00082	1.4
87.00873	1.0
88.98805	0.4
89.02436	1.1
95.01366	0.5
96.96021	0.9
96.96989	0.4
99.00848	1.8
99.92564	0.6
101.02438	18.3
102.46310	0.4
113.02451	4.1
116.92886	0.9
125.02429	0.6
131.03493	12.6
143.03490	0.9
145.02953	0.5
159.03090	0.5
161.02440	0.6
161.04593	3.4
169.01393	0.5
214.08083	0.4
267.17102	0.4
391.31595	0.4
418.93723	0.4
425.30338	0.6
427.35968	0.8
439.32462	0.9
471.28992	0.7
487.34113	0.7
501.35617	1.7
503.33255	0.6
559.39813	5.2
603.38458	0.8
621.40027	100.0
622.40265	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	621.4004
Annotation	Beesioside A
Peak:m/z	Relative Intensity
55.01852	1.1
57.03439	1.4
59.01379	29.5
61.98811	1.9
65.26481	0.8
71.01385	7.9
72.99308	2.9
73.02953	3.4
78.95903	1.0
83.01387	4.1
85.02952	10.0
86.00089	2.3
89.43803	0.8
101.02440	22.1
121.02970	0.8
131.03499	35.2
145.02928	1.1
164.48029	0.9
189.54646	0.7
346.34692	0.8
359.49896	0.9
370.67783	0.9
541.38837	1.0
544.77582	0.9
549.10992	0.7
557.38312	2.4
559.39819	6.0
603.38947	1.7
621.40039	100.0
622.40497	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	621.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09737	0.4
55.54754	0.4
57.03449	2.4
58.00587	0.5
58.35383	0.5
59.01106	0.7
59.01378	9.5
60.99308	3.0
61.32693	0.4
61.87857	0.4
61.98829	9.2
64.94941	0.4
68.99581	0.6
71.01382	4.4
71.53045	0.5
72.99306	1.5
73.02934	1.2
75.00876	0.9
78.95910	1.4
83.01387	1.0
83.05016	0.6
85.02950	3.0
86.00114	0.9
88.98816	2.0
89.02428	2.4
96.96014	1.2
96.96977	0.5
99.04523	0.7
99.92538	0.6
101.02447	5.4
101.92304	0.4
113.02417	0.9
115.92076	0.7
116.92868	2.7
118.98075	0.5
119.03609	0.8
121.02995	0.4
125.02444	1.4
131.03505	3.1
135.02953	0.5
135.04503	0.6
137.02437	0.8
145.02972	0.8
152.99623	0.9
161.02473	0.9
165.48816	0.4
166.33791	0.4
169.01431	0.6
171.10223	0.9
179.05586	0.7
190.02623	0.5
209.11787	1.3
300.99954	0.7
391.03418	0.5
411.32703	0.5
441.26471	3.3
525.29034	0.5
608.18103	0.6
621.40082	100.0
622.40454	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	621.4006
Annotation	Beesioside A
Peak:m/z	Relative Intensity
55.01867	2.8
57.03440	3.9
58.00583	2.6
59.01381	70.9
60.99308	12.1
61.98825	3.2
63.37635	1.1
69.28313	5.7
69.28732	3.3
71.01384	17.5
71.05027	3.9
72.99310	4.7
73.02935	5.7
83.01395	8.1
83.01810	1.2
84.33875	1.2
85.02945	16.1
85.06578	4.0
86.00087	5.7
87.00866	1.8
89.02447	9.4
99.00890	3.1
101.02437	41.7
113.02464	2.2
119.03465	1.2
119.51656	1.0
120.99640	2.6
131.03500	100.0
144.16797	1.0
145.02940	2.4
152.87813	1.2
171.87938	1.1
209.11632	1.1
379.38330	1.4
393.73346	1.2
427.36548	1.2
459.34732	3.4
491.30344	1.7
499.30103	1.5
543.37195	1.5
557.38739	5.0
559.40051	60.6
560.40741	5.3
573.37598	2.7
591.38983	69.1
592.39606	6.6
602.07074	1.3
603.38879	6.0
621.40082	37.4
622.40479	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	621.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.4
55.83172	0.9
56.97817	0.8
57.03440	3.4
58.00584	3.0
59.01380	63.9
60.94936	0.7
60.99305	1.8
61.98825	3.4
65.08292	0.9
71.01384	14.7
71.04980	0.8
72.99310	4.8
73.02946	5.0
78.95917	0.9
83.01385	7.9
85.02952	17.7
85.06602	0.8
86.00104	4.2
87.00851	0.9
88.98816	1.6
89.02447	3.6
94.29183	0.9
99.00901	2.3
99.99748	0.8
101.02442	45.1
113.02420	2.9
118.98098	1.0
131.03505	100.0
132.03848	1.4
135.60629	0.8
161.04521	1.0
298.68689	0.8
382.15689	0.9
559.40009	70.8
560.40320	6.3
569.46198	1.1
591.39111	20.5
592.39557	2.7
603.39050	6.4
604.38629	1.3
621.30170	1.3
621.32843	0.8
621.40387	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	621.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61497	0.6
55.96636	0.5
56.52361	0.5
56.64996	0.5
59.01379	100.0
60.12220	0.6
63.98436	0.5
69.92197	1.7
69.92599	1.0
72.00625	0.6
78.95898	0.9
87.63139	0.6
98.19923	0.8
110.92058	0.6
127.80430	0.7
157.08667	0.9
160.78185	0.7
165.12840	0.7
169.01399	0.6
209.11816	14.3
227.12973	1.0
277.21722	19.8
278.22073	1.2
385.12692	0.7
387.46628	0.7
556.41559	0.6
621.27069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98836	0.8
70.37348	2.3
78.95903	1.7
94.14178	0.8
94.78034	0.8
106.06634	1.1
110.44488	0.7
115.79850	0.7
141.92586	0.7
150.16788	0.7
152.99606	1.1
157.08739	1.3
166.70395	0.8
209.11812	17.2
227.13019	1.3
277.21704	24.1
306.31409	0.7
356.56870	0.9
385.12619	0.9
468.13058	0.8
516.63879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03452	7.4
58.00577	1.9
59.01380	41.2
61.98808	2.8
64.12055	1.4
66.68597	1.3
68.99815	2.0
71.01377	27.1
71.53339	1.2
71.53736	1.9
72.99307	4.8
73.02950	3.5
75.00857	3.4
82.42114	1.3
83.01400	3.5
85.02946	29.9
87.00874	12.4
87.04460	1.7
89.01942	1.6
89.02451	17.5
95.01394	3.4
96.96038	7.6
97.02950	8.6
98.95604	3.3
99.00849	4.6
99.04532	2.0
99.92562	4.3
101.02445	12.6
111.00867	5.8
113.02440	8.8
115.04004	3.2
115.92062	4.7
116.92860	43.9
117.92860	2.5
119.03540	6.8
119.05034	2.5
123.00870	2.8
123.04508	2.3
125.02423	3.4
126.69543	1.4
129.01939	20.7
133.02928	3.6
134.03786	1.7
135.02974	5.2
135.04527	8.8
137.02470	2.6
141.01936	5.1
145.02917	3.6
151.00380	3.7
159.02957	7.4
161.02431	11.5
161.13374	7.1
163.03989	2.0
166.02664	5.8
169.01433	3.6
175.03906	2.2
177.03984	2.2
179.03462	3.6
179.05611	3.5
179.60596	1.4
181.05067	7.2
187.11258	4.2
191.05566	6.2
205.12367	16.2
209.06659	39.3
221.04587	2.2
249.11272	12.7
281.06848	2.0
284.02945	1.4
285.03934	2.9
305.03021	4.5
315.05118	4.0
323.07935	1.8
341.08682	1.9
342.22131	1.4
372.95465	1.6
397.18472	4.3
409.15091	7.5
417.15546	10.9
421.11322	2.1
429.17624	7.4
441.17569	21.8
459.14746	1.7
459.22073	3.5
485.10583	1.8
503.12189	4.6
513.09790	1.5
552.08661	1.4
561.28906	1.8
577.24176	2.0
585.11139	2.2
589.21295	5.6
606.42908	1.4
621.23981	100.0
622.24231	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	621.4002
Annotation	Beesioside A
Peak:m/z	Relative Intensity
55.01859	0.4
57.03445	0.5
59.01376	8.9
60.99300	3.1
61.98826	3.4
70.98546	0.5
71.01378	2.7
71.04999	0.4
72.48927	0.4
72.99303	0.8
73.02933	0.8
75.00863	0.7
78.95891	0.4
83.01370	1.0
85.02953	2.0
86.00087	0.6
87.00872	0.4
88.98795	0.7
89.02436	1.2
96.95984	0.5
101.02439	4.4
113.02438	0.7
116.92863	0.7
118.90019	0.5
120.62310	0.3
125.02470	0.4
131.03474	2.8
133.01463	0.4
145.02896	0.4
147.04488	1.0
161.02533	0.5
171.10313	0.4
263.58737	0.3
441.26352	0.9
473.18341	1.0
603.38586	0.4
621.40094	100.0
622.23724	0.8
622.40399	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	621.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22882	3.4
54.54210	3.4
59.01373	28.4
61.98829	33.9
64.88351	3.6
71.01377	20.0
72.99278	3.7
73.02934	8.5
75.00871	7.8
84.44769	3.0
85.02934	6.6
87.00879	6.6
88.98795	40.5
89.02440	8.3
93.03446	3.9
96.95990	20.7
99.14296	3.4
101.02439	13.6
112.89841	3.6
113.02407	7.7
116.92800	3.5
119.03467	6.7
122.03706	6.9
125.02464	8.8
133.02975	6.1
135.02962	6.6
135.04533	8.7
137.02390	10.8
145.02914	6.0
149.02385	8.1
150.03209	41.7
161.02440	20.9
161.04575	5.9
165.05556	63.3
166.67601	3.7
169.01364	5.3
177.03891	3.7
179.03435	5.6
183.13832	3.3
191.03485	6.4
195.04846	5.5
195.06610	100.0
285.04202	4.5
305.64294	3.9
314.59338	3.6
329.10089	6.5
359.15109	22.6
371.14871	23.2
373.26059	18.7
387.16223	4.0
419.93286	3.6
439.63806	3.4
459.29523	3.9
468.45789	3.9
577.32269	18.3
585.23181	13.9
621.15833	9.6
621.26385	7.7
632.62610	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	621.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16750	1.0
59.01368	3.2
61.98834	2.1
69.99660	3.6
71.01357	2.0
81.74527	1.4
89.02447	1.2
105.51736	1.0
105.70325	1.3
109.02940	2.4
123.00894	2.3
125.02449	1.1
135.02942	1.6
135.69009	1.0
137.02440	9.5
145.02916	2.2
151.00346	19.1
152.01102	1.7
152.04774	2.8
166.02701	56.2
167.03534	2.5
177.01936	3.5
177.05574	1.1
181.05052	73.1
192.04190	1.3
200.02794	1.1
207.06549	2.2
221.05409	1.1
244.95094	1.1
277.48062	1.0
328.49152	1.4
387.10764	14.8
402.13382	5.3
404.39993	1.2
417.15503	100.0
418.15747	6.4
561.29150	1.3
589.93445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.1
63.03363	0.5
69.22698	1.1
69.23109	3.8
71.01385	3.9
72.99306	1.8
73.02953	0.5
73.59437	0.5
75.00874	9.2
85.02941	0.7
89.02441	4.2
98.20618	0.9
101.02442	1.6
107.05015	0.9
109.02943	1.2
113.02446	2.0
117.01987	0.9
117.03481	2.4
119.03458	0.7
132.02177	1.0
133.02951	13.3
133.03909	1.0
134.03725	2.0
135.03009	19.7
135.04515	100.0
136.04857	2.0
137.02501	0.5
161.02431	46.9
162.02780	1.1
165.04091	0.5
177.01923	0.6
177.05574	2.3
179.03487	45.0
180.03828	1.1
181.05060	1.7
195.60980	0.5
203.03558	0.8
205.01421	1.1
209.06607	0.7
221.04529	1.5
231.98462	0.5
263.05682	0.5
297.06104	1.2
297.09830	1.0
323.07687	25.7
324.08124	0.8
341.08725	3.3
413.66599	0.5
441.21210	0.8
459.12531	16.1
460.13089	1.4
485.10818	14.9
486.11209	0.6
503.11935	15.1
504.12393	0.7
517.26483	1.3
535.27582	1.0
621.14532	19.4
621.24750	1.0
622.14667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07053	6.1
59.01380	62.4
71.01376	38.4
72.99303	7.5
75.00867	14.8
81.37889	5.6
81.82651	6.3
84.05232	5.6
85.02945	28.0
87.00872	11.4
89.02456	20.1
97.02924	11.5
99.00892	10.7
101.02451	15.8
109.02952	25.1
111.00867	9.1
113.02476	10.0
116.92867	22.9
123.04507	6.3
129.01917	26.4
133.02946	10.2
133.25615	6.5
134.03709	7.3
135.03047	12.2
135.03557	7.1
135.04526	72.0
136.01624	11.7
141.01910	7.5
151.03998	17.9
153.05598	9.8
159.03011	12.2
161.02428	40.9
161.13322	17.8
163.03969	24.3
165.01950	7.6
166.02675	11.7
167.03284	7.3
179.03503	42.5
179.05650	8.2
179.07112	17.3
181.05069	74.6
187.11296	10.1
191.05515	9.7
193.05112	30.7
205.12329	17.1
209.06696	35.1
211.06110	28.1
221.04459	7.8
249.11317	15.9
269.08163	10.0
313.10806	9.2
323.07593	11.9
343.11880	32.8
359.42795	6.3
373.12881	20.5
409.14948	24.5
418.97946	7.6
441.17569	15.8
459.11374	15.1
503.11884	28.0
589.21497	15.5
621.14886	10.0
621.24097	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	621.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14654	2.7
59.01387	22.3
71.01389	14.1
72.99285	2.8
75.00877	28.1
75.72672	2.8
80.49593	3.0
85.02943	4.4
89.02444	21.9
93.03403	3.4
101.02448	6.9
109.02873	2.8
119.03521	3.5
119.04999	5.7
123.87457	3.1
125.02467	5.0
133.02902	4.4
133.76726	3.1
135.03000	100.0
135.04533	11.3
145.02896	4.3
153.01859	5.0
161.02469	7.3
163.03995	4.6
171.95673	2.9
179.03471	12.3
191.05553	10.3
192.05930	3.0
203.58418	3.2
288.99997	3.5
297.06226	15.2
298.80609	3.1
299.98950	7.1
300.99872	13.5
323.13449	44.6
591.31128	3.5
615.84009	3.0
621.12598	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	619.3847
Annotation	Cimigenol 3-O-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
51.31219	0.4
55.01885	1.0
57.03441	1.6
58.00594	0.8
59.01382	19.8
61.98824	3.9
69.23241	2.1
69.23675	1.8
71.01385	7.1
71.05026	2.6
72.82357	0.4
72.98927	0.5
72.99305	2.0
73.02948	1.7
75.00886	0.8
78.95900	0.6
83.01402	2.6
83.05007	0.7
83.91837	0.4
85.02955	4.9
85.06609	0.5
85.36189	0.4
86.00095	1.2
87.00880	1.0
88.98803	0.9
89.02432	2.0
96.96025	1.6
96.96971	0.5
97.02932	0.5
97.06641	0.6
98.20616	0.8
99.00896	0.6
99.92583	0.9
101.02444	10.5
104.92769	0.4
113.02456	1.0
115.00383	0.9
115.92075	1.1
116.92857	0.9
119.03488	0.4
125.02440	1.0
131.03502	7.1
134.03697	0.5
137.02461	0.7
158.80946	0.4
161.02403	1.0
163.04021	0.7
169.01387	0.5
171.10280	1.0
175.04073	0.8
209.11757	2.9
227.13036	0.6
300.99710	0.7
337.09311	1.0
373.27234	0.5
383.22266	0.6
409.31131	0.7
421.31143	0.7
423.32602	0.5
425.34378	2.8
439.26868	0.5
439.32156	3.5
457.33237	8.6
458.33728	0.4
501.32944	0.6
541.35455	0.7
557.38361	1.3
583.36481	2.0
589.37128	0.7
601.37494	10.3
602.37689	1.2
619.31097	4.4
619.38574	100.0
620.29578	0.4
620.38849	8.1
649.41028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3851
Annotation	Cauloside B
Peak:m/z	Relative Intensity
51.41536	0.6
55.01876	3.2
57.03441	2.5
58.00588	2.7
59.01381	59.7
60.99306	0.9
61.98825	1.9
64.66976	0.6
68.99561	0.7
69.03439	0.8
69.25467	3.5
69.25900	2.7
71.01383	11.9
71.05029	3.1
72.99303	4.5
73.02949	5.5
73.39424	0.6
75.00878	0.8
77.63103	0.6
83.01386	6.3
85.02952	17.1
86.00087	3.7
86.54771	0.7
88.98822	1.4
89.02448	2.1
96.96022	1.3
99.00873	3.3
101.02441	38.4
112.98574	1.1
113.02425	1.6
115.91093	0.6
115.91973	0.7
125.02398	0.7
131.03502	100.0
132.03854	1.5
137.02397	0.9
150.94252	0.6
153.53346	0.6
158.91963	0.7
161.02505	0.9
185.28365	0.7
207.33719	0.8
233.07390	0.6
425.45828	0.8
443.39899	0.8
462.97028	0.9
485.32718	1.4
505.31747	1.9
557.38428	49.7
558.38879	4.2
571.36267	0.9
589.37366	14.5
590.38281	1.8
601.37573	6.2
619.39233	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	619.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33978	0.3
59.01377	100.0
60.01722	0.5
61.98833	0.6
64.41498	0.3
69.37461	2.3
78.95905	1.1
89.05268	0.3
117.03528	0.4
127.49020	0.3
131.03493	0.6
144.89107	0.3
145.02959	2.6
146.03333	1.0
151.80757	0.3
161.55978	0.4
173.81953	0.3
242.92064	0.4
277.21780	0.5
288.82904	0.3
291.23346	0.5
358.99002	0.4
559.40137	0.3
619.39221	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	621.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47739	0.3
59.01388	1.3
71.01390	1.6
71.52961	0.6
72.99302	0.5
75.00874	7.0
83.01411	0.4
85.02949	0.6
87.00880	0.6
89.02441	1.8
91.05546	0.4
96.95997	0.8
99.00870	0.6
107.05056	0.6
109.02956	0.6
113.02433	0.4
117.01946	0.9
117.03477	0.9
123.04507	0.4
125.02461	0.4
132.02167	0.7
133.02957	13.6
134.03763	2.0
135.03020	20.1
135.04521	100.0
136.04829	2.4
137.02444	0.7
149.06105	0.6
161.02438	50.8
162.02811	1.4
163.04041	0.5
165.04030	0.4
169.01404	0.6
175.03975	0.6
177.01894	0.4
177.05582	2.7
179.03490	99.6
180.03790	3.0
203.03568	0.7
220.03738	0.4
221.04478	3.4
251.05637	0.6
263.05527	0.5
279.05258	0.5
280.05951	0.5
283.02521	0.4
289.07156	0.4
297.06195	1.4
300.99643	0.4
316.38422	0.3
323.07690	37.2
324.08072	1.3
341.08771	4.3
349.77756	0.3
459.12357	2.9
485.10669	2.9
503.11932	42.2
504.12265	2.5
555.60596	0.4
621.14532	18.2
622.15063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40396	0.8
59.01368	1.5
61.98829	9.4
71.53422	1.5
78.95898	5.3
113.02533	0.9
117.03442	1.7
139.31206	0.7
145.02924	3.7
147.02940	1.5
152.99544	2.7
303.22949	1.0
337.80429	0.8
471.34784	100.0
472.35071	8.8
619.29877	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	619.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09219	1.0
55.01880	1.8
57.03432	3.7
58.00589	2.5
59.01381	59.7
59.38596	1.1
60.99296	6.6
61.98830	5.4
66.95990	0.9
69.03455	1.1
69.19285	6.5
69.19708	3.0
71.01382	20.9
71.05022	16.5
72.99297	4.0
73.02952	6.1
75.00871	1.2
78.95895	2.7
83.01407	7.5
83.04998	1.8
85.02954	19.1
85.06596	1.5
86.00089	4.2
87.00897	1.8
89.02438	8.8
96.96023	1.6
98.20672	1.8
99.00877	2.0
101.02441	41.4
107.01363	2.0
113.02433	2.4
115.92032	1.7
125.00157	1.5
125.02429	3.9
131.03503	100.0
133.02904	0.8
157.60420	1.0
163.11256	1.8
165.12857	1.6
169.01347	4.8
171.10255	3.8
172.10596	1.9
173.10841	0.9
209.11824	21.0
210.12108	2.6
211.12367	1.3
217.70444	1.0
227.12859	3.7
254.09946	1.2
300.08270	1.0
387.46872	1.0
443.35413	2.1
467.19354	1.3
471.31213	3.5
485.32758	8.6
505.31656	10.6
506.31857	1.5
557.38501	60.1
558.38745	4.3
571.35901	3.0
575.39551	22.1
576.39642	2.2
589.37451	71.0
590.37512	7.2
601.37408	6.2
607.38879	1.3
619.20154	2.0
619.28851	6.6
619.38324	13.6
633.36328	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	619.256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.3
67.12080	0.8
78.08977	0.8
78.95910	10.8
96.96953	0.9
112.69869	0.8
152.99586	6.0
188.35854	0.8
209.11816	2.6
229.48717	0.9
255.23315	8.8
356.20316	0.8
363.12027	1.5
389.15244	1.1
391.22742	2.8
395.13000	0.8
401.14017	2.4
409.23569	1.1
415.15610	2.8
416.16397	13.7
429.16943	1.6
430.17975	1.9
431.18640	1.4
434.17578	1.3
444.15625	2.0
444.95874	0.9
458.17068	1.9
459.18228	100.0
460.18738	7.5
473.19720	15.8
474.20316	5.3
485.15921	1.1
486.16422	0.9
487.17944	1.1
501.19061	1.5
503.17145	3.0
505.73331	0.9
517.18756	1.6
518.19568	44.7
519.20044	4.4
532.21252	9.5
533.21906	90.6
534.22284	8.2
543.20190	1.1
587.23010	7.0
613.96356	0.9
619.25653	74.8
619.35608	5.4
620.25848	8.0
620.36176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3846
Annotation	Cimigenol 3-O-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
51.25676	0.5
52.53403	0.6
58.00598	0.6
59.01379	7.3
61.98831	4.1
69.21089	1.2
69.21497	4.6
71.01392	3.1
71.05016	0.9
72.99319	1.3
73.02964	1.0
75.00870	8.7
77.67078	0.6
78.95916	0.9
85.02947	1.5
86.00131	0.7
89.02441	1.8
96.96001	0.7
98.20605	1.2
99.00898	1.5
99.92582	0.8
101.02453	2.1
113.02459	0.9
115.92079	1.2
116.92863	1.2
117.02032	0.7
129.01961	2.0
136.42610	0.5
145.02954	1.2
147.02991	2.0
165.04039	11.3
303.82312	0.6
435.32819	4.0
453.33777	2.0
601.37317	5.2
619.38489	100.0
620.38812	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	619.3849
Annotation	Cimigenol 3-O-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
50.16739	0.4
55.01892	0.4
58.96747	0.4
59.01380	7.1
61.98823	2.3
62.32032	0.4
62.35074	0.4
65.69002	0.4
69.80232	2.3
71.01369	2.9
72.99311	0.5
73.02975	0.6
78.95901	1.4
83.01389	0.9
85.02965	1.1
87.00862	0.5
89.02449	1.2
92.86542	0.5
96.96037	0.6
96.96982	0.5
99.00803	0.5
101.02451	3.2
112.98592	0.9
115.00378	0.6
115.92052	1.0
131.03532	1.9
142.94350	0.5
152.99631	1.0
181.77109	0.4
209.11804	0.7
230.27164	0.4
231.13921	0.4
233.41814	0.5
241.33870	0.4
427.31567	0.9
469.33353	0.8
487.33585	0.5
510.62115	0.5
559.35596	0.5
601.37457	7.1
619.38519	100.0
620.29602	0.5
620.38855	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	619.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07833	0.8
57.84969	0.9
59.01383	7.2
61.15199	0.8
61.98821	11.3
63.02393	1.1
63.56276	0.9
64.45311	0.9
65.00294	1.2
71.01377	4.6
71.17538	0.8
71.53388	1.1
73.02937	1.4
75.00857	1.1
78.95924	1.0
83.01398	1.3
85.02951	1.0
85.06576	1.1
88.98801	1.4
89.02435	2.3
93.03465	1.8
96.95999	1.8
99.92602	0.9
101.02424	3.2
103.62008	1.0
107.01379	1.7
112.98609	0.9
113.02461	1.1
113.06085	2.1
115.04010	1.3
117.03433	1.7
119.05035	1.3
122.85611	0.8
125.02396	1.7
130.93161	0.9
131.03465	1.0
133.02936	1.1
135.04532	1.7
145.02972	1.3
150.03156	1.1
151.00339	1.5
153.01945	1.5
158.95003	0.9
159.04494	1.2
161.02408	3.3
163.00430	1.7
163.04037	2.2
171.10236	1.9
183.04533	1.8
185.06004	1.3
187.04051	2.5
189.05655	0.9
199.03996	1.3
210.12315	1.3
211.03937	3.0
227.03499	73.4
228.03891	3.4
229.05032	4.1
239.03503	1.6
255.02975	100.0
256.03564	10.0
257.04694	4.4
283.02457	3.6
284.03256	86.9
285.04004	74.8
286.04272	2.9
298.04846	4.0
299.05685	7.6
344.54532	1.0
421.25772	1.2
429.08270	1.0
447.09216	3.1
461.11066	7.4
489.10388	30.9
490.10541	1.9
601.15253	2.2
619.16583	74.3
619.37402	3.3
620.16589	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	619.2558
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.54258	0.9
72.06052	1.0
73.29082	0.9
100.93979	1.1
141.56421	1.0
164.17830	1.0
191.75331	1.1
309.71240	1.1
311.90601	1.0
320.97403	1.1
401.13699	2.1
402.79144	1.2
415.15466	2.7
416.16422	12.2
429.17328	1.9
430.18069	2.8
431.18365	1.3
442.09235	1.2
445.16122	1.3
458.17285	1.6
459.18243	100.0
460.18753	7.0
473.19885	12.3
474.20395	5.7
493.43668	1.2
503.17148	2.5
518.19556	47.7
519.19836	4.2
532.21179	7.5
533.21936	85.7
534.22461	7.2
539.31232	1.1
582.41315	1.4
587.23212	5.3
619.25592	77.1
620.25653	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	619.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49826	0.8
54.47160	0.9
59.01366	4.6
61.98825	1.6
67.01903	2.2
70.09746	3.0
71.01385	2.9
75.00868	4.5
85.02948	10.8
87.00872	9.2
89.02442	1.8
93.03458	29.9
94.03782	1.1
96.96011	3.1
96.99302	2.9
98.20607	1.9
101.02412	1.2
101.40482	0.9
109.02946	3.8
111.04501	2.6
119.05012	14.3
122.88643	0.9
123.00864	1.4
123.04513	1.5
125.02445	6.4
126.02785	1.3
127.03999	2.4
131.05003	3.3
133.02948	1.4
135.02995	12.1
135.04529	1.6
137.02356	1.1
143.05016	10.0
145.02954	2.4
145.06522	1.2
153.01917	2.2
161.02362	1.1
163.04016	13.0
165.05574	1.1
169.01413	9.1
171.04494	1.2
172.80882	0.8
173.04526	12.0
179.03574	1.6
191.05602	100.0
192.05920	1.5
203.13002	2.1
211.07547	5.6
223.07446	1.0
235.07607	1.2
237.09129	4.9
265.08661	14.7
283.09805	1.7
300.99844	2.8
309.07687	6.1
313.05856	1.5
327.08725	71.0
328.09097	3.3
334.15884	1.0
337.09204	1.8
427.10593	1.1
445.11417	1.9
449.07230	3.4
457.15076	1.4
467.08035	1.3
501.14020	30.9
501.21436	2.0
502.14487	3.0
619.16748	31.7
620.16669	2.8
638.00226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93767	0.6
57.03442	0.8
59.01377	2.9
60.99305	1.8
62.54015	0.6
67.01889	5.0
67.29935	0.8
69.03442	1.3
69.78545	2.3
69.78947	1.3
71.01385	2.5
73.02940	1.1
75.00868	2.4
81.03465	1.5
83.05013	0.9
85.02950	9.0
87.00883	8.7
92.78201	0.7
93.03461	37.4
96.08330	0.6
99.04527	0.7
109.02939	0.8
111.04523	6.9
111.75880	0.7
119.05015	15.0
125.02451	1.7
127.04008	1.2
131.05089	1.1
133.02936	0.9
135.02998	7.3
139.00432	0.8
143.05032	2.3
145.02962	1.8
155.03470	1.8
156.62656	0.7
163.03999	9.9
169.01466	1.7
171.02959	0.9
173.04535	15.6
174.04858	0.9
179.07098	0.7
191.05612	100.0
192.05959	2.2
211.07637	1.5
223.07626	1.7
235.07590	0.8
237.09203	3.6
265.08810	3.2
283.09833	5.1
300.99805	2.1
309.07666	1.9
327.08734	27.2
328.09006	1.2
337.09216	2.7
355.92474	0.6
445.11505	2.1
457.15094	1.8
501.14017	33.2
502.14508	3.8
619.16699	40.5
620.17017	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	619.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52652	0.2
57.03440	0.4
58.02580	0.2
59.01372	1.6
67.01893	0.7
71.01382	1.3
71.42193	0.2
72.99276	0.3
73.59691	0.2
75.00874	1.8
81.03466	0.4
81.47793	0.2
83.05020	0.4
85.02944	10.3
87.00872	2.2
89.02450	0.5
93.03455	6.8
95.01375	0.3
99.04487	0.5
108.57331	0.3
109.02951	1.0
111.04515	1.4
117.03419	0.4
119.05014	2.5
121.36968	0.2
125.02434	0.6
127.04024	2.5
131.05055	0.3
133.02957	0.3
133.58255	0.2
135.02992	4.8
137.02431	0.4
139.12982	0.2
143.05038	1.4
145.02931	0.3
153.01955	0.4
154.95609	0.2
161.02512	0.3
163.04024	1.7
171.02962	0.7
171.04562	0.3
173.04535	2.1
191.05602	100.0
192.05972	2.0
211.07628	1.5
223.07607	0.4
234.09296	0.2
237.09196	0.7
265.08731	1.8
266.08539	0.2
283.09753	0.5
309.07639	0.7
320.80328	0.2
327.08710	8.0
328.09058	0.4
445.11337	0.7
449.07104	0.3
483.13080	0.3
501.13901	3.1
619.16638	11.1
620.16907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01720	0.6
61.98834	0.5
67.04269	0.2
71.59360	0.2
78.95895	0.5
124.70995	0.3
131.03539	0.9
144.82205	0.2
145.03044	0.4
210.01863	0.3
214.42793	0.3
224.24843	0.3
272.97272	0.2
279.35800	0.2
433.61761	0.3
466.80734	0.3
469.33511	1.2
557.38995	0.5
623.62439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31268	0.5
57.03439	1.0
59.01372	2.2
60.44787	0.4
60.99312	1.1
64.77540	0.4
67.01891	3.4
69.03452	0.7
69.28071	4.6
71.01381	2.7
72.99303	0.7
75.00869	4.3
81.03450	1.2
83.01384	0.8
85.02950	8.1
87.00873	6.5
93.03457	29.2
98.19928	0.8
99.00866	0.6
109.02962	1.3
111.04526	3.7
113.02402	0.5
117.03438	0.6
119.05026	13.9
125.02446	1.0
127.03986	2.1
129.01938	1.4
133.03000	0.8
135.02992	11.6
135.04529	0.8
137.02414	0.9
143.05016	1.7
143.76799	0.5
145.02979	2.0
145.06548	0.7
155.03441	0.9
161.02425	1.0
163.04002	10.7
169.01341	0.8
173.04546	13.0
178.43941	0.5
182.32251	0.5
182.51709	0.5
191.05598	100.0
192.05969	1.7
193.05052	0.5
211.07686	1.5
219.06378	0.5
223.07796	1.0
227.03503	0.6
235.07585	0.6
237.09131	2.8
239.10707	0.7
265.08652	2.7
281.06677	1.6
282.48334	0.5
283.09729	3.8
300.99921	0.9
309.07703	1.3
327.08701	19.3
328.09198	1.2
337.09238	4.0
403.49344	0.7
445.11472	1.2
457.15134	2.3
483.12820	1.1
488.65381	0.6
501.13995	29.6
502.14441	2.2
531.11578	2.0
619.16699	20.6
619.27020	0.6
620.16901	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	617.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77644	0.5
59.15154	0.4
59.62436	0.4
71.86998	0.4
75.94862	0.4
78.95911	1.7
79.76638	0.4
96.96958	0.4
98.19872	1.2
101.51370	0.4
112.16820	0.4
116.09892	0.4
117.03465	28.8
119.05034	7.5
120.90926	0.4
121.02966	0.9
133.02966	0.8
145.02953	97.2
146.03279	1.9
162.03252	0.9
163.03999	1.3
172.14771	0.4
183.53790	0.4
229.50127	0.4
330.01212	0.5
439.32269	0.5
453.33685	1.2
469.33154	1.6
497.32703	1.5
617.38434	100.0
618.38757	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	617.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42955	0.5
59.07284	0.4
61.98829	0.9
64.03442	0.4
65.79699	0.4
66.26919	0.5
70.85349	0.9
70.85680	0.5
78.95908	1.0
79.47745	0.4
79.84026	0.4
85.50751	0.5
109.33038	0.4
117.03464	31.0
118.03825	0.6
118.96028	0.5
119.05022	14.5
121.02948	1.5
123.04523	0.5
133.02956	0.7
145.02953	100.0
146.03284	2.4
152.99570	0.8
162.03207	1.0
163.03946	1.2
202.42401	0.4
257.71097	0.5
295.49420	0.5
453.33524	1.1
455.34991	2.0
497.32681	1.8
555.03491	0.5
579.64691	0.5
617.38446	87.1
618.38702	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	617.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.98837	0.7
67.61903	0.3
74.80545	0.3
78.95904	1.9
81.81542	0.3
110.11930	0.3
117.03461	25.1
119.05033	6.2
121.02975	1.3
123.04597	0.4
145.02948	87.3
146.03276	2.4
162.03087	0.3
163.04010	2.2
222.87718	0.3
278.15781	0.3
426.17447	0.4
434.56952	0.3
453.33929	1.5
469.32990	0.6
497.32632	1.1
573.39453	1.3
616.65363	0.3
617.38422	100.0
618.28766	0.5
618.38696	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	617.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79367	0.3
59.01369	0.4
61.98827	0.4
64.27956	0.2
65.64640	0.2
70.67980	0.7
75.64783	0.3
78.70225	0.3
78.95913	0.9
117.03464	28.9
118.03806	0.3
119.05022	6.2
120.90231	0.2
121.02956	1.4
123.04530	0.6
133.03038	0.2
145.02950	98.3
146.03320	2.1
162.03207	0.5
163.03993	1.8
268.70520	0.3
423.29388	0.4
453.33640	1.1
469.33453	0.3
497.32739	1.5
557.95056	0.3
573.39288	0.3
617.38428	100.0
618.38745	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	617.3845
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
50.48019	0.4
51.02100	0.5
59.01366	0.8
61.98824	1.6
75.60344	0.6
78.95890	0.9
82.48740	0.6
86.05383	0.6
98.19898	1.6
117.03465	27.9
119.05024	15.4
121.02957	1.6
123.04509	0.7
131.72617	0.5
145.02951	100.0
145.61137	0.5
146.03291	2.1
147.09755	0.5
152.99570	0.6
162.03218	1.2
163.04056	0.8
171.10297	1.0
221.69104	0.5
229.51683	0.6
258.07849	0.6
341.70023	0.5
453.33807	0.6
497.32684	1.7
524.31036	0.6
617.38440	88.3
618.38745	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	616.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97772	0.3
61.98832	100.0
66.13091	0.4
76.27660	0.3
95.65397	0.4
123.00980	0.4
125.02481	1.9
135.04562	0.4
137.02467	0.4
149.86971	0.3
151.00410	1.4
154.85767	0.3
169.01474	2.0
178.99873	0.6
179.03682	0.5
205.00500	0.4
205.23625	0.4
252.15997	0.4
255.03001	0.8
271.02499	1.1
272.02899	1.4
300.02771	2.9
301.03143	3.6
302.03821	1.0
314.06039	0.4
464.09341	1.1
616.10199	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	617.3691
Annotation	Cimiaceroside A
Peak:m/z	Relative Intensity
52.06194	0.5
59.01379	7.2
61.98822	2.3
65.39135	0.6
71.01383	5.5
71.05000	1.5
73.02943	0.9
78.95908	4.4
85.02960	1.3
87.00900	0.8
89.02441	4.6
93.03474	0.8
95.37453	0.5
96.96014	1.8
96.96959	4.3
99.92548	0.6
101.02430	2.3
115.92064	1.3
126.97321	0.6
131.03497	1.7
133.02916	0.7
137.02397	1.5
161.02419	2.4
171.10208	0.8
310.22128	0.7
407.29785	0.7
421.30942	0.7
422.50674	0.6
425.30276	0.7
439.32043	0.7
441.33926	1.0
457.32977	0.7
465.30133	3.0
467.31488	0.9
473.33307	0.6
477.55042	0.6
499.30923	0.7
579.27826	1.3
599.35883	6.9
617.36957	100.0
618.27588	0.8
618.37250	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	617.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01097	0.3
55.18882	0.4
59.01379	0.5
61.98843	0.6
69.31264	2.5
78.95915	2.2
81.38857	0.3
91.80787	0.3
117.03465	28.3
118.03777	0.8
119.05024	7.7
120.05444	0.4
121.02929	1.8
123.04538	0.5
129.54472	0.3
145.02951	100.0
146.03299	3.8
152.99516	0.4
158.94243	0.3
162.03183	0.5
163.03995	2.7
286.92569	0.3
355.34717	0.3
453.33841	1.1
469.33148	2.5
497.32858	1.2
522.71033	0.4
573.39032	1.0
617.38409	96.3
618.38794	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	615.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60590	0.6
57.03452	5.9
59.01379	11.6
61.98827	5.7
65.00317	0.8
69.03445	3.0
69.92197	1.9
69.92606	2.6
71.01377	7.2
71.05019	1.4
73.02946	1.8
75.58078	0.7
83.01373	0.9
83.05027	1.7
85.02945	2.3
87.00844	0.9
89.02427	4.8
93.03454	1.0
96.96003	2.3
97.06579	1.2
101.02465	3.9
107.01378	2.0
109.06546	1.0
111.08166	9.1
113.02434	2.4
115.14857	0.7
117.03490	0.7
118.48532	0.7
119.03529	0.8
119.05010	1.5
125.02455	4.6
125.03211	0.8
133.02942	0.8
134.07399	1.8
135.04510	3.0
135.08109	0.9
137.02393	1.0
139.07646	1.3
145.02937	1.7
149.09715	9.5
151.00371	7.3
153.09169	2.7
161.02412	2.6
161.04413	0.9
165.05515	1.3
165.12840	52.3
166.13177	1.5
167.10753	9.8
169.01430	8.2
181.12315	2.0
183.13882	26.9
184.91837	0.7
191.10776	2.1
196.66122	0.7
197.15471	6.4
204.29710	0.7
205.05089	0.9
207.13942	1.4
209.11818	7.7
225.14969	1.3
227.12859	8.6
251.12894	1.7
271.02472	2.0
271.06116	3.4
287.05630	3.8
300.02786	4.0
301.03394	2.7
327.44556	0.8
344.25327	0.7
344.79367	0.7
346.06696	0.8
463.08664	1.3
579.15027	1.3
609.26019	0.8
615.10217	2.6
615.33881	100.0
616.34100	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	615.3687
Annotation	(+)-Kopsoffine
Peak:m/z	Relative Intensity
61.98826	1.5
66.57820	0.5
71.51666	0.9
71.52050	0.8
78.95916	0.8
80.96529	0.9
84.82487	0.6
95.12306	0.5
117.03465	26.8
119.05022	12.4
121.02961	1.2
123.82207	0.6
145.02951	100.0
146.03313	2.0
163.04027	4.7
201.11082	0.7
319.34445	0.7
555.28455	1.3
571.38055	5.2
615.36884	88.6
616.37311	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	615.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.8
61.98829	9.5
64.71601	0.8
67.01886	1.5
71.01380	6.7
71.54054	1.1
72.28094	0.7
72.99291	1.1
79.01918	1.8
83.01437	1.2
85.02944	1.1
89.02463	1.2
95.01381	2.5
97.02950	1.6
99.00817	0.8
101.02412	1.5
107.01392	13.3
109.02959	0.9
111.00874	1.5
113.02421	2.3
113.99577	5.7
117.03386	1.0
118.87366	0.8
121.02997	1.2
123.00890	26.4
125.02445	43.9
137.02414	2.9
139.00380	7.5
140.01132	1.9
141.01974	2.2
145.02933	3.6
149.02338	0.9
151.00365	17.4
153.01967	1.0
161.02391	2.1
163.03998	2.0
165.01956	7.6
165.12767	4.2
166.02626	1.0
167.03438	1.3
167.88036	0.8
168.00638	3.3
169.01422	88.6
170.01817	1.2
179.03485	2.0
180.04256	4.7
183.13899	15.3
193.01454	1.5
195.06622	5.7
201.11324	1.6
207.13905	5.2
209.11768	1.3
210.05264	0.8
211.02457	7.6
225.07678	6.1
227.12888	3.4
237.14761	1.2
251.12851	11.4
253.03528	1.5
255.03015	1.5
271.02142	1.2
299.99216	1.7
300.02661	4.3
300.99982	0.8
301.03421	2.7
301.16541	3.3
313.05652	2.5
325.16440	2.1
359.15060	1.1
435.16974	1.1
453.17444	2.2
463.08664	2.4
481.74429	0.8
523.18286	5.9
541.18787	1.3
615.22882	100.0
616.23175	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	615.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.8
61.98829	9.5
64.71601	0.8
67.01886	1.5
71.01380	6.7
71.54054	1.1
72.28094	0.7
72.99291	1.1
79.01918	1.8
83.01437	1.2
85.02944	1.1
89.02463	1.2
95.01381	2.5
97.02950	1.6
99.00817	0.8
101.02412	1.5
107.01392	13.3
109.02959	0.9
111.00874	1.5
113.02421	2.3
113.99577	5.7
117.03386	1.0
118.87366	0.8
121.02997	1.2
123.00890	26.4
125.02445	43.9
137.02414	2.9
139.00380	7.5
140.01132	1.9
141.01974	2.2
145.02933	3.6
149.02338	0.9
151.00365	17.4
153.01967	1.0
161.02391	2.1
163.03998	2.0
165.01956	7.6
165.12767	4.2
166.02626	1.0
167.03438	1.3
167.88036	0.8
168.00638	3.3
169.01422	88.6
170.01817	1.2
179.03485	2.0
180.04256	4.7
183.13899	15.3
193.01454	1.5
195.06622	5.7
201.11324	1.6
207.13905	5.2
209.11768	1.3
210.05264	0.8
211.02457	7.6
225.07678	6.1
227.12888	3.4
237.14761	1.2
251.12851	11.4
253.03528	1.5
255.03015	1.5
271.02142	1.2
299.99216	1.7
300.02661	4.3
300.99982	0.8
301.03421	2.7
301.16541	3.3
313.05652	2.5
325.16440	2.1
359.15060	1.1
435.16974	1.1
453.17444	2.2
463.08664	2.4
481.74429	0.8
523.18286	5.9
541.18787	1.3
615.22882	100.0
616.23175	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	615.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83627	4.0
59.01371	12.2
61.98820	9.1
71.01371	6.7
71.51583	4.6
71.51997	7.3
73.02950	6.3
75.00874	8.2
80.25246	4.1
81.03463	4.5
83.01398	5.3
85.02931	11.8
87.00858	8.3
89.02445	7.5
89.27431	4.1
93.03439	12.9
95.01366	9.2
96.95987	9.7
97.02966	7.5
108.02223	5.1
109.02943	27.8
119.05015	23.9
121.02938	5.4
123.04491	17.2
125.02464	33.7
134.03732	5.1
135.02992	27.4
135.04485	11.7
137.02432	11.7
139.03966	5.0
145.02911	16.5
147.04486	5.5
149.02426	7.1
151.00346	5.5
151.03970	16.5
153.18300	5.4
159.04497	5.7
159.43959	4.1
160.55293	4.5
161.02377	6.8
163.04074	24.6
165.01935	8.2
165.05507	4.1
167.03476	5.7
169.01456	11.3
173.04524	5.7
177.01953	7.7
177.03984	7.4
179.03468	14.7
189.01921	6.0
191.03427	7.0
191.05585	17.1
201.01953	5.4
201.05624	5.9
203.03467	7.8
203.07118	11.1
205.04999	6.5
211.02412	4.3
217.01482	10.6
227.07140	6.3
229.01305	10.9
229.05046	5.7
231.02783	5.0
245.00851	12.7
245.08089	16.8
246.01585	4.9
247.02464	54.3
257.00867	6.7
271.02512	4.6
271.99661	7.6
273.00458	22.9
275.01785	6.7
283.99509	5.6
289.07172	100.0
290.07376	7.9
291.01559	11.0
300.99921	96.5
302.00327	9.7
327.05103	8.1
341.06476	6.8
352.86841	4.7
409.07568	4.9
435.10931	6.4
453.06778	11.3
571.16602	10.2
615.11798	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	615.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90248	0.9
65.00313	1.6
69.61753	0.8
71.51273	1.1
75.00857	1.2
80.29942	0.8
81.68122	0.7
90.52177	0.9
95.01366	2.0
96.96007	2.4
109.02904	1.0
116.92839	3.4
123.00877	3.1
125.02486	1.5
126.54950	0.7
133.02948	1.1
135.02983	1.4
135.45998	0.8
139.00345	0.8
145.02939	1.3
151.00290	0.9
161.02405	2.1
163.00401	1.5
163.03949	2.5
166.99841	1.7
169.01425	1.1
173.02422	2.3
175.03935	2.0
177.01961	1.2
187.00366	1.5
187.03979	0.8
189.01906	6.5
190.02719	7.9
191.03467	3.0
191.05521	0.9
201.01936	2.4
203.03412	1.0
214.99879	1.5
217.01408	20.5
218.02190	11.4
219.02962	2.6
229.01355	2.1
230.99390	1.3
231.02875	1.9
242.99323	1.8
245.00900	33.1
246.01683	52.9
247.02461	100.0
248.02856	3.5
257.00900	1.0
259.02466	1.9
261.00406	1.5
268.74747	0.8
270.98950	1.6
273.00397	2.1
273.04184	0.8
275.02252	0.9
289.07178	1.6
295.02579	0.9
298.98245	1.9
299.98892	1.3
300.99918	7.7
341.06448	1.8
408.06949	3.8
409.07751	88.6
410.07892	5.0
431.02606	1.7
434.45114	0.9
435.10757	1.0
449.03687	2.6
453.06995	1.9
571.13116	14.7
572.13385	1.3
599.03217	2.1
601.05164	1.4
613.04620	2.1
615.12012	42.7
616.12225	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	615.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04342	1.0
65.00322	1.4
69.20997	4.5
69.21432	7.7
75.61153	1.1
78.87605	1.3
80.34836	1.3
83.01333	1.2
107.01359	5.5
108.60226	1.1
109.02979	1.3
111.00941	1.1
121.02947	2.7
123.00871	1.4
125.02440	14.5
135.38808	1.4
151.00357	10.9
163.00298	2.3
169.01443	13.1
178.99805	4.5
186.72694	1.1
226.02736	1.7
227.03436	3.1
243.03018	7.1
247.14888	1.3
254.02185	2.0
255.02998	22.7
271.02441	44.8
272.02869	2.2
283.02368	2.3
300.02737	92.9
301.03461	37.9
302.03806	1.4
313.05649	2.3
463.08823	43.0
464.09076	3.8
615.09851	100.0
616.09760	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	615.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.9
63.02401	2.9
65.00320	5.1
66.38232	0.4
69.68181	2.5
83.01391	3.3
93.03466	1.7
98.17269	0.5
107.01384	9.4
109.02953	2.1
119.04967	0.4
121.02143	0.9
121.02952	8.6
123.00916	0.5
125.02447	0.8
139.04051	0.5
149.02429	1.3
151.00363	38.7
163.00343	1.7
163.04128	0.5
169.01376	1.8
178.99846	17.9
180.00113	0.5
187.04010	0.6
193.01320	0.7
201.05571	1.1
211.03967	0.8
227.03500	1.3
229.04991	1.0
243.03023	0.7
245.04501	2.1
247.02606	0.6
255.02983	2.0
257.04523	0.9
271.02451	1.7
273.04083	2.5
300.02686	1.7
301.03506	100.0
302.03796	4.9
313.05640	1.6
463.08780	2.1
510.27072	0.6
615.09821	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	613.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.6
59.01165	0.5
59.01381	6.0
61.98829	13.9
63.73697	0.5
66.40335	0.4
67.01889	0.9
69.03447	1.7
69.25623	5.0
71.01386	4.6
72.99304	0.7
73.02929	1.4
75.00868	2.0
78.73955	0.5
78.91917	0.6
79.01897	1.3
83.01396	1.2
85.02950	1.7
87.00882	0.9
88.98809	1.0
89.02445	1.3
93.03449	0.9
93.44164	0.5
95.01381	1.6
96.69962	0.5
96.96012	1.2
97.02940	2.4
99.00898	1.1
101.02446	2.2
107.01386	11.6
111.00872	1.5
113.02420	1.6
115.03982	0.6
121.02963	0.9
123.00878	11.5
124.01673	1.5
125.02447	49.4
126.02759	0.7
133.02940	0.9
135.03078	0.6
135.04489	0.9
136.98848	1.3
137.02452	1.8
139.00389	3.7
139.03972	0.7
140.01151	2.8
141.01965	1.2
145.02971	1.2
149.02383	0.7
150.03220	2.7
151.00378	6.7
151.04005	0.9
161.02435	2.2
161.04518	0.6
163.00385	0.7
163.03995	0.9
165.01962	1.0
165.05571	2.9
165.12828	1.3
167.03514	0.6
168.00655	1.8
169.01418	67.1
170.01796	1.3
177.01744	0.6
179.03435	1.5
181.05000	0.7
183.13863	1.2
191.03488	0.5
195.06548	1.7
229.05049	0.7
284.03372	0.6
285.04074	7.2
329.23322	3.3
451.97672	0.6
475.10852	5.5
551.24902	1.5
569.34918	0.6
577.26410	1.7
583.79156	0.6
613.24963	100.0
614.25348	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	614.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
61.98829	93.8
64.49126	0.9
71.01373	2.2
71.53485	1.1
74.68889	0.8
75.00844	0.8
75.42949	1.0
75.58562	0.7
79.04903	0.8
85.02948	1.4
91.09228	0.8
93.03437	3.6
94.03807	0.8
95.01361	1.3
101.02437	1.7
109.02947	1.4
113.02430	1.1
117.03444	1.6
125.02414	4.2
127.22344	0.8
132.02223	0.8
133.02950	23.1
134.03563	0.8
134.07094	0.8
135.04553	7.3
137.02452	6.4
138.02754	1.7
145.02951	1.0
149.02440	1.1
151.00348	1.7
152.01128	1.3
153.01869	1.5
154.02206	0.8
161.02432	91.6
162.02739	5.7
165.05547	1.9
169.01399	3.7
179.03459	4.4
189.01842	1.0
192.12733	0.9
227.03502	1.4
271.02408	1.3
285.03897	1.8
286.04251	1.2
287.04749	1.5
299.01929	1.9
300.02649	1.9
301.03418	2.4
323.07578	1.2
324.07886	1.4
394.05780	0.9
460.09732	1.1
461.10504	1.3
462.11539	4.3
463.08823	1.9
479.84366	0.8
504.09805	1.1
551.24908	100.0
552.25317	7.1
615.10016	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	615.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61327	0.9
69.16019	6.9
69.16438	3.6
69.38118	1.0
71.01369	2.6
74.43614	1.1
83.01397	1.1
84.47025	0.9
88.14168	0.9
107.01376	6.2
121.02929	2.3
123.00864	3.1
125.02444	18.1
131.13881	1.0
139.00385	1.1
142.44046	1.0
151.00371	15.1
163.00359	1.8
164.01053	1.3
168.00580	1.6
169.01411	21.3
170.01578	1.2
178.99855	5.1
187.03928	1.0
211.02296	1.6
226.02670	1.3
227.03458	2.9
243.02888	8.3
254.02144	1.8
255.02956	21.3
256.03290	1.4
271.02441	43.5
272.02951	3.8
273.04126	1.1
283.02466	1.3
300.02725	100.0
301.03458	40.9
302.03772	1.7
313.05643	4.5
319.69519	1.3
463.08780	47.4
464.08850	2.9
615.09863	81.1
616.10138	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	613.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
61.98832	4.9
71.01393	0.4
71.01848	1.0
88.98809	0.7
93.03466	3.8
97.02879	0.5
107.01382	1.4
109.02966	1.5
116.91364	0.5
117.03427	0.6
121.02962	4.9
122.03739	14.0
123.00893	1.8
123.04547	1.3
125.02457	4.8
126.02807	0.6
133.02937	1.5
134.03741	3.7
135.04140	0.5
136.01680	2.1
137.02463	5.6
139.04012	0.8
146.93669	0.7
149.02446	18.3
150.03224	84.5
151.00381	4.3
151.03897	2.3
152.01170	0.6
152.04582	0.5
159.04568	0.5
161.02426	1.7
164.04791	3.4
165.01926	14.3
165.05566	100.0
165.12845	0.9
166.02707	9.3
166.05867	2.0
167.03426	1.0
169.01414	4.9
170.01772	1.6
175.04042	1.1
177.01880	0.5
179.03473	3.1
180.04285	13.6
181.05075	13.5
183.13889	1.1
187.04034	0.9
189.01762	0.6
191.03375	0.6
193.05077	2.6
194.05568	1.2
195.06619	73.1
196.06941	1.6
203.03447	0.8
204.04268	0.5
205.05148	2.4
208.03780	0.6
209.31339	0.5
210.05287	1.4
220.07396	1.4
221.08272	1.1
223.06046	1.0
225.07672	9.0
227.03488	0.6
227.12918	1.2
255.02887	1.1
284.03336	0.7
285.03821	0.6
357.13580	0.9
372.12109	1.2
387.10739	1.2
387.14651	10.0
388.14883	1.0
402.12955	1.4
403.13699	1.3
417.15543	13.1
418.08899	1.0
418.15805	0.9
419.08731	2.2
503.13409	0.7
565.20825	3.6
577.26239	0.8
613.12726	1.1
613.23969	1.1
613.32623	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71265	0.9
52.85493	1.1
55.01389	0.9
58.23665	1.0
59.01378	1.1
61.98828	11.9
63.21988	1.1
84.93169	1.0
89.55688	0.9
93.03452	7.1
98.20678	2.0
107.01330	1.3
109.02939	4.7
116.20715	0.9
121.02961	7.2
122.03747	13.8
123.00854	2.8
124.01683	1.9
125.02447	17.4
131.14484	0.9
133.02992	5.0
133.06569	1.5
134.03726	2.1
135.02945	1.4
135.04504	4.7
136.01678	7.9
137.02444	29.5
149.02444	28.2
149.06142	1.1
150.03227	93.7
151.00352	8.1
151.04008	11.2
152.01123	2.8
152.04741	2.8
159.04471	1.3
161.02452	9.2
162.02818	1.0
164.01064	1.7
164.04807	6.9
165.01930	47.7
165.05571	100.0
166.02718	21.0
166.05870	2.3
167.03423	3.9
168.85602	0.9
169.01437	24.8
173.02496	1.1
175.03943	3.1
177.01935	1.9
177.05540	3.5
178.02762	1.4
179.03502	15.3
179.07019	1.5
180.04289	31.7
181.05069	29.5
187.03973	2.9
189.05486	2.3
190.02592	1.4
190.06215	1.9
191.03404	1.5
192.04265	1.4
193.05032	1.8
194.05771	3.0
195.06627	88.3
196.06866	2.4
203.03461	5.5
205.05042	7.3
210.05305	4.6
219.06575	1.3
220.07333	3.5
225.07663	24.8
235.09676	1.4
282.05328	1.1
296.06973	1.0
315.08810	1.8
329.10178	4.1
357.09503	1.9
357.13416	4.4
367.65579	1.0
386.13913	1.7
387.10992	2.0
387.14667	19.4
388.15158	1.2
402.12875	1.5
403.13809	1.4
417.10135	1.7
417.15543	27.9
443.09924	1.6
535.20160	6.7
565.20746	71.2
566.20709	4.9
583.09521	1.1
583.21515	1.2
613.12250	8.0
613.24188	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	613.1925
Annotation	Resinoside A
Peak:m/z	Relative Intensity
52.42053	0.9
52.50323	0.8
59.01360	2.3
61.98547	0.8
61.98834	12.9
65.00318	0.9
69.52446	5.4
79.06404	0.9
83.01381	0.9
93.03454	4.1
97.02917	0.9
107.01391	3.3
109.02942	2.8
117.03465	0.8
121.02953	4.2
122.03785	4.6
124.01645	0.9
125.02441	21.1
130.85953	0.8
133.02974	4.5
135.00864	1.4
135.04562	4.4
136.01689	3.9
137.02449	16.6
145.02934	1.0
149.02449	6.1
150.03233	22.4
151.00407	5.1
151.04034	4.6
152.01138	1.9
153.02023	1.2
159.04465	1.5
161.02438	12.3
163.00339	1.4
164.01125	2.0
164.04758	1.5
165.01929	37.2
165.05556	20.4
166.02721	7.6
167.03519	1.3
169.01434	31.1
172.05299	0.8
175.03940	3.0
177.01866	1.3
177.05511	1.0
179.03514	11.3
180.04283	23.8
181.05040	7.9
183.04431	2.4
185.05972	1.2
187.03909	2.3
187.07637	1.3
189.05519	1.9
190.06271	1.6
192.04224	0.8
193.05017	1.0
194.05820	2.0
195.06618	43.0
196.07047	1.5
199.03995	1.1
202.02779	0.8
203.03490	4.3
205.05028	2.0
210.05289	3.7
211.03986	1.5
225.05440	1.3
225.07671	21.2
227.03487	70.1
228.03888	3.1
229.05023	6.1
239.03421	1.5
241.05034	1.0
255.02974	100.0
256.03644	8.2
257.04477	3.8
257.08362	0.8
267.52621	0.8
283.08899	0.8
284.03256	81.1
285.04016	72.3
285.06650	0.8
286.04355	2.3
313.05594	0.9
329.10211	1.0
357.13303	3.2
372.12128	0.9
387.14529	11.6
403.14362	1.0
417.15494	5.3
433.07712	1.0
443.09518	2.7
447.09323	1.1
535.19330	2.8
551.11731	3.5
565.20740	28.5
566.20807	2.3
613.19208	90.1
614.10608	1.2
614.19336	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	613.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01387	1.2
61.98828	11.5
62.31234	0.4
67.01910	0.5
69.03455	1.5
69.36971	3.3
71.01371	1.0
75.00873	0.5
75.85695	0.4
79.01890	0.6
81.03440	0.8
83.01398	0.8
85.02944	0.7
93.03449	2.9
95.01379	0.7
97.02940	1.3
101.02418	0.8
107.01386	2.7
109.02956	0.8
113.02499	0.6
114.63247	0.4
119.05046	1.1
123.00863	1.4
125.02444	62.6
126.02768	1.2
133.02954	9.4
134.03650	0.8
135.02991	0.6
135.04529	12.7
136.01595	0.5
137.02435	5.1
139.03976	0.4
139.09309	0.4
145.02986	0.6
149.06070	0.9
150.03203	0.5
151.00366	0.5
153.01907	0.9
161.02438	26.0
162.02783	2.3
163.03993	0.8
163.07672	0.6
169.01416	100.0
170.01759	1.5
175.04008	2.8
177.05641	1.1
179.03497	12.7
203.03505	8.0
221.04529	0.9
227.03490	0.6
229.05003	0.6
255.02905	1.4
271.02432	1.0
281.06723	0.8
284.03207	1.6
285.04001	1.6
300.02774	1.6
300.48068	0.4
301.03394	0.9
323.07739	0.8
324.51968	0.4
343.62872	0.5
433.07693	2.5
440.06665	0.5
443.09830	5.0
449.07471	0.5
451.08426	0.5
461.10794	3.6
464.52847	0.5
549.23218	2.2
550.23724	5.0
595.14575	0.8
613.11908	21.5
613.27911	1.5
614.12048	1.4
625.70068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99866	1.2
58.08665	1.1
59.01384	10.2
61.98826	31.6
64.76261	1.0
65.00323	1.4
68.68067	1.1
68.99806	0.9
69.03448	1.3
69.45596	8.7
71.01382	5.6
73.02947	1.7
78.74078	1.1
79.01900	2.7
81.03429	1.9
85.02944	3.6
87.00845	1.3
88.98798	1.6
93.03450	3.9
95.01378	4.2
97.02961	1.9
98.19954	2.6
101.02433	3.4
107.01384	11.7
108.02139	1.8
111.00861	5.8
113.02415	1.6
117.03481	1.5
119.05022	1.9
121.02954	2.0
122.03735	1.6
123.00873	13.7
123.04482	1.4
124.01640	3.9
125.02447	76.7
127.00328	1.2
131.04971	1.5
133.02937	3.4
135.04503	4.9
136.98863	1.2
137.02435	10.2
139.00339	5.9
140.01122	4.9
145.02968	1.8
147.04497	5.8
149.02399	3.1
150.03191	5.2
151.00366	10.0
153.01903	3.9
161.02466	11.9
161.06018	1.8
162.02756	1.9
163.03951	1.8
165.01865	8.4
165.05533	8.5
166.99846	3.2
167.03436	2.9
168.00641	12.2
169.01418	100.0
170.01776	2.0
175.04008	1.7
179.03470	4.3
180.04245	4.8
183.03026	1.5
191.03612	1.3
191.05499	1.6
193.01387	3.1
195.06635	16.0
199.03888	1.2
211.02461	27.5
225.07698	4.3
235.02539	1.3
255.02881	1.7
271.01904	1.3
271.04593	20.1
285.03845	1.5
295.04535	9.2
297.06271	1.6
313.05649	27.4
314.01691	1.1
323.07596	3.3
343.11816	1.6
357.13452	1.7
360.18478	1.2
369.13480	1.6
387.15659	1.3
389.11459	1.1
401.08261	1.5
437.22919	1.2
443.09622	1.9
461.10898	11.1
465.06714	97.1
466.07114	3.7
496.21381	1.3
549.23340	2.8
550.23846	6.1
565.20612	3.4
582.21454	1.5
613.11926	69.2
614.12360	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	612.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24105	1.0
51.24252	1.0
59.01374	4.1
61.98829	100.0
71.01383	2.1
71.53242	1.2
75.00874	5.3
85.02950	1.4
89.02419	1.3
93.03469	2.1
94.27450	1.1
97.02947	1.1
101.02417	2.5
107.01376	2.2
109.02930	1.5
113.02465	1.2
117.03445	2.3
123.04530	1.2
125.02451	36.7
133.02954	24.0
135.04527	12.7
137.02455	4.1
147.02936	1.4
150.03194	1.1
151.00330	2.6
152.01086	1.0
161.02440	97.2
162.02808	3.1
165.04079	5.0
166.04330	1.5
169.01421	46.0
177.05443	2.2
179.03493	12.2
179.93950	1.2
183.13925	5.3
184.14241	3.5
203.03487	4.4
215.03441	1.1
221.04500	2.0
251.05598	2.7
255.03006	3.9
260.06461	1.9
269.04425	1.8
270.04871	1.3
271.02554	1.7
281.06589	2.1
284.03226	3.0
285.03906	2.5
287.05762	1.4
300.02747	2.8
341.08859	3.6
433.08054	1.5
437.71924	1.1
443.09799	3.0
461.11047	2.4
464.22116	2.5
549.23413	89.7
550.23962	6.6
594.13654	2.4
612.14990	2.5
612.25464	12.9
613.11877	16.5
613.27423	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	613.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66433	0.6
57.03432	1.9
59.01381	8.1
61.32873	0.7
61.98829	8.4
67.01886	1.1
68.99819	0.8
71.01379	17.0
72.99297	2.4
73.02959	1.5
75.00862	1.7
79.01873	1.1
83.01370	1.1
85.02460	1.0
85.02950	14.7
86.79350	0.6
87.00876	4.0
88.98800	0.7
91.16035	0.6
93.03425	1.1
95.01387	5.2
96.95970	0.7
98.12007	0.5
98.19865	1.6
99.00865	2.9
101.02482	0.6
103.00375	3.2
107.01376	2.3
108.02191	0.7
109.02953	4.6
111.00872	2.9
113.02447	18.1
115.00356	2.5
119.04997	1.2
123.00861	7.6
123.04517	1.0
124.01670	0.9
125.02445	19.7
129.01912	1.3
133.02942	0.7
135.02968	2.8
135.04500	1.3
137.02441	2.5
139.00372	3.2
139.04028	0.8
140.01152	1.1
141.01920	1.1
146.25745	0.6
147.04497	0.6
149.02434	0.8
151.00374	6.3
151.04019	1.1
153.01982	0.7
153.28506	0.6
157.01408	1.5
161.02423	3.1
161.04466	0.7
161.28102	0.7
163.00357	0.8
163.03938	1.4
165.01889	1.9
165.05493	0.9
167.03461	1.0
168.00623	2.5
169.01414	25.0
175.02478	9.4
177.01942	1.5
179.03412	1.6
183.03072	0.7
189.01907	2.7
191.03661	1.2
191.05569	1.6
193.01382	1.2
207.03029	0.8
209.00841	3.1
211.02496	1.9
217.01370	2.9
219.02959	0.8
227.03598	0.8
229.40973	0.8
255.02945	1.5
271.10812	1.4
278.06555	0.6
284.03214	0.8
285.04053	2.7
289.07004	0.8
309.02725	0.8
327.03549	100.0
328.03787	3.3
341.06580	3.7
343.62723	0.7
451.09827	4.2
554.29700	0.8
613.12970	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	611.372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76003	20.7
59.01364	47.5
61.98811	98.6
71.37630	23.3
82.81921	25.8
93.90594	21.0
99.71626	21.9
121.02929	100.0
123.00832	29.9
131.91428	21.1
134.10503	20.4
221.99213	20.3
299.60425	20.3
319.59464	27.9
319.81583	23.1
326.61664	24.1
611.35675	72.0
612.32361	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	612.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01389	5.7
61.98830	99.0
71.01376	4.7
71.53333	1.1
71.71549	0.9
72.44295	1.0
78.70718	1.0
83.01382	1.1
85.02956	2.0
88.98817	1.8
89.02443	2.5
93.03465	4.1
94.03806	1.0
101.02431	2.5
107.01400	1.4
107.08009	1.2
109.02953	2.0
113.02467	1.2
117.03452	2.3
119.05029	1.7
120.32236	0.9
121.02991	2.8
123.04479	1.4
124.01638	1.1
124.84372	0.9
125.02465	13.2
126.02776	3.1
133.02960	25.6
135.04503	8.0
137.02437	3.5
145.02946	2.9
151.00360	2.3
152.01160	1.3
153.01933	1.9
157.76892	1.0
161.02438	100.0
162.02798	4.4
163.03986	1.3
165.01924	1.8
169.01395	3.3
177.01889	1.3
178.99866	1.4
179.03510	5.8
217.05089	1.1
259.06207	1.3
284.03156	1.2
285.04117	6.2
286.04370	4.1
287.04590	3.5
288.05142	2.2
305.06509	1.3
324.07654	1.0
341.06464	1.3
384.51306	1.0
393.06281	2.4
464.48550	1.1
466.10117	1.5
503.09854	5.5
549.23389	99.1
550.23792	8.2
594.13324	2.0
612.14014	12.7
612.22369	1.0
612.32178	1.0
613.14093	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	611.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09037	1.0
59.01379	15.7
60.99287	1.3
61.98827	6.5
69.83537	2.6
69.83953	1.2
71.01371	6.0
73.02918	0.9
75.00839	1.1
77.77444	0.8
83.01414	0.8
85.02949	3.5
87.00865	1.5
88.98805	8.2
89.02452	1.7
93.03450	4.7
98.19922	0.8
101.02433	3.5
109.80007	0.8
113.02459	1.9
116.66071	0.7
121.02952	5.7
122.03736	13.4
123.00883	1.0
123.04462	1.1
123.32638	0.8
124.01643	0.9
133.02954	4.5
134.03720	2.1
135.04478	1.8
136.01653	1.7
137.02394	1.4
149.02432	25.8
149.06065	1.6
150.03220	98.2
151.00394	0.8
151.03598	2.7
161.02414	4.3
164.04816	6.3
165.05560	100.0
166.05893	2.7
177.05464	1.0
179.03561	0.9
180.04308	7.1
181.04987	1.2
195.06621	60.8
196.07095	3.0
211.09802	1.8
285.04150	1.5
287.04633	1.1
323.07877	1.0
355.09802	1.6
355.13937	15.2
359.14917	2.0
373.15030	7.4
415.16165	3.8
503.11737	1.6
503.19180	25.7
504.19577	2.6
521.20331	9.6
548.22156	0.9
549.23468	0.9
551.21051	1.9
555.84717	0.8
563.21313	9.9
569.22388	1.6
611.14093	1.0
611.23676	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	611.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	5.2
59.01382	71.1
61.98842	3.0
64.46754	2.9
69.18479	28.4
71.01376	42.7
73.02962	3.2
75.00868	6.1
75.69688	2.9
85.02946	12.9
87.00883	3.8
89.02452	27.3
95.01381	5.0
96.88510	3.2
98.19861	5.3
99.04542	19.4
101.02442	18.1
103.97546	2.6
113.02451	11.9
116.92860	9.3
119.03495	9.1
125.02430	5.2
129.63527	3.1
133.02948	3.5
135.03014	3.3
135.04538	8.0
137.80569	2.9
161.02441	12.1
163.03993	17.4
165.05536	4.2
169.01456	5.2
177.04059	7.7
179.03503	6.3
189.12781	3.7
193.05054	8.1
195.06676	6.6
207.13904	46.7
209.11864	10.4
251.12871	79.6
269.13913	13.1
275.50797	3.6
300.99927	3.5
431.13144	5.0
431.19144	100.0
432.19687	8.3
449.20227	25.8
459.15146	5.8
493.09607	6.1
493.19235	5.8
567.22009	9.7
611.25574	96.2
612.25171	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	611.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82941	0.9
57.03440	1.8
59.01381	40.1
59.73890	1.0
61.98818	3.3
71.00995	1.6
71.01374	13.5
71.52795	2.0
73.02938	4.3
75.00874	2.3
83.01400	2.6
85.02947	10.6
86.00076	1.1
87.00893	1.8
88.98788	2.0
89.02444	3.6
93.03440	4.6
95.01406	2.7
99.00839	2.4
99.08205	1.1
101.02450	10.0
111.00847	1.2
112.01666	1.4
113.02454	7.2
119.03511	1.9
119.05048	1.5
121.02937	7.4
122.03746	13.6
123.04491	1.7
125.02411	3.6
132.02203	1.8
133.02966	7.5
134.03728	3.3
135.02991	1.7
135.04512	1.4
136.01656	2.0
137.02420	1.7
145.02974	2.3
149.02441	39.5
149.06055	5.9
150.03224	100.0
151.03679	2.3
161.02432	2.5
161.04596	1.2
161.06073	1.2
163.04012	2.2
164.04767	9.8
165.05565	85.4
166.05878	1.7
169.01360	1.2
179.03505	1.4
180.04225	7.2
181.05006	3.7
195.04828	2.2
195.06624	43.4
196.07271	4.6
211.09789	7.0
225.07561	1.2
241.04941	1.6
269.04364	1.5
285.03857	3.4
303.04028	1.2
340.11447	1.6
343.11743	1.2
344.12555	4.1
347.09326	2.7
355.13940	24.0
358.12628	1.2
359.15018	9.0
373.14993	10.2
375.08618	1.8
404.08948	1.9
415.16150	5.6
430.80453	1.1
447.09445	1.6
459.15039	1.6
482.36829	1.2
503.19235	76.5
504.19479	5.3
521.20239	30.4
522.20605	1.5
551.21228	5.0
563.21368	25.4
567.15039	2.4
569.22046	5.3
611.14075	21.7
611.23694	11.7
612.14014	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	611.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01958	0.8
57.03450	7.3
59.01374	3.1
59.07592	0.7
61.98832	20.2
63.02392	1.9
65.00336	5.2
67.01879	1.4
69.53609	4.8
71.01379	1.9
75.00874	1.4
83.01375	6.6
89.02470	1.0
93.03459	3.3
93.62015	0.8
95.01393	1.1
95.97967	0.8
97.02977	1.1
107.01396	9.3
107.05129	0.8
109.02930	4.0
110.00046	0.8
117.03478	3.9
119.05010	4.5
121.02947	8.4
122.11859	0.8
123.00909	1.3
123.04496	3.2
124.01675	1.5
125.02449	84.6
126.02789	1.9
128.55017	0.9
132.02170	1.4
133.02950	5.5
133.06625	1.0
134.03360	1.5
135.00919	1.0
135.03001	1.3
135.04543	5.1
136.04901	1.7
137.02444	2.8
139.00415	1.2
139.04053	1.8
143.05013	1.2
145.02946	10.5
147.04601	1.1
149.02434	10.8
150.03249	1.3
151.00359	28.7
151.03986	3.6
152.01134	2.6
153.01941	30.0
158.22292	0.8
159.04517	0.8
161.02440	20.7
161.06041	1.8
162.02789	4.4
163.00357	4.4
163.04010	3.0
165.01936	1.7
165.04060	1.7
167.03488	1.5
169.01393	1.5
171.04544	1.3
173.06161	1.1
174.03181	1.6
175.00348	3.0
175.04015	10.1
177.01947	19.2
177.05519	1.5
178.99881	15.7
179.03439	5.1
180.03848	1.2
181.01399	2.7
183.13866	2.9
185.06087	2.0
187.03955	2.9
188.04782	1.3
189.05557	3.7
190.02592	1.3
191.03494	2.5
195.02972	1.2
197.06140	1.1
199.03973	6.3
201.01924	1.7
201.05579	1.0
205.05031	1.8
211.03996	2.2
213.05566	3.0
215.03665	2.0
215.07173	1.5
217.05067	6.8
221.04500	1.7
227.03474	14.0
228.03883	1.2
229.05060	6.8
231.06541	0.8
240.04364	1.2
241.04987	6.4
243.02980	2.3
251.05516	1.5
255.02954	24.6
256.03696	4.0
257.04602	5.8
259.06128	3.8
275.05579	15.1
281.06763	1.3
282.06976	1.5
284.03268	30.6
285.04034	100.0
286.04453	7.9
287.04651	1.7
299.05743	4.0
303.05087	69.2
304.05334	1.9
307.08185	2.4
309.04053	1.0
323.07562	1.1
324.08377	1.0
325.08063	0.9
327.05325	1.3
341.08783	3.4
342.08981	2.5
447.09415	2.9
459.09192	1.3
461.11017	7.0
463.21848	1.0
487.08911	4.4
489.10382	13.3
490.10568	1.1
547.21991	1.6
548.22253	8.6
549.23212	5.3
567.14709	0.9
583.14935	4.0
593.12970	19.7
594.13196	2.1
611.13843	24.9
611.26099	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	611.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.4
59.01388	1.1
61.98829	2.8
63.02410	0.9
63.61718	0.5
65.00325	14.8
66.76466	0.5
71.01385	1.4
75.00877	0.6
83.01392	6.8
85.02968	0.6
87.33763	0.6
88.98803	0.6
89.02463	0.6
98.20659	1.7
101.02464	0.6
107.01394	24.6
109.02965	4.0
119.04969	0.7
121.02967	1.0
125.02449	37.8
126.02862	0.6
126.83502	0.6
129.30490	0.7
131.01411	1.2
132.02162	0.8
133.02962	13.3
134.03697	1.6
135.04527	76.5
136.04865	1.6
137.02435	1.5
149.02441	0.6
149.06023	1.1
150.03178	0.5
151.00369	100.0
152.00713	2.7
161.02443	54.3
162.02802	1.0
165.01971	2.8
169.01468	1.0
175.00365	3.1
177.01927	6.3
177.05542	3.6
179.03494	10.5
181.05115	0.9
191.03441	0.6
193.01416	1.2
203.03528	2.4
217.01410	0.7
218.05753	0.9
221.04503	4.6
251.05489	0.5
263.05731	0.6
269.04529	1.4
272.02780	0.8
285.03922	1.0
287.05597	36.9
288.05969	1.3
300.02731	1.5
301.03186	1.3
302.03485	2.4
303.04208	0.7
311.05701	0.7
323.07706	42.6
324.08173	0.8
449.10992	14.4
449.27267	0.6
465.09091	0.9
475.08774	4.0
501.10547	4.0
611.14014	65.4
612.14490	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	610.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46264	0.8
51.25498	0.8
53.71242	0.9
55.15778	0.9
59.01367	3.7
61.98829	92.2
65.00333	1.2
67.37866	0.8
67.87319	0.8
69.19381	9.3
70.63634	1.0
71.01380	3.3
71.85509	0.9
78.78672	1.0
85.02921	1.5
87.04479	1.0
87.44099	0.9
89.02437	2.5
98.03773	0.9
107.01367	1.8
117.03458	1.8
121.02975	1.1
123.04483	1.9
125.02428	2.2
132.02115	1.8
133.02954	25.9
134.53032	0.9
135.04527	12.1
145.02995	1.4
149.02278	1.0
149.06061	1.0
151.00368	8.6
152.00629	1.3
161.02435	93.2
162.02751	2.0
175.03914	1.5
178.99960	1.1
179.03493	9.0
191.03497	1.3
202.91072	0.9
221.04556	2.5
243.06700	1.1
251.05467	1.1
255.03151	1.2
256.03455	0.9
257.08075	1.7
269.04495	1.1
271.02328	1.1
272.02859	1.4
280.22867	1.0
281.06604	2.0
285.03995	3.1
286.04279	2.3
287.05563	2.7
300.02734	3.8
301.03415	9.3
302.03882	6.1
303.04218	1.0
323.07611	3.1
324.08127	1.1
390.07364	1.4
413.81607	1.0
423.78979	1.0
463.09256	2.0
464.09351	1.7
547.21832	100.0
548.21918	7.7
554.15692	1.0
610.12640	11.0
611.13684	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20073	19.4
61.98828	100.0
71.53284	29.8
85.75352	19.1
96.96014	44.5
114.81544	18.6
153.01993	24.6
184.88049	19.2
194.00574	21.9
257.97989	20.8
278.59833	17.2
540.59607	24.3
575.23285	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	611.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02187	0.6
59.01385	1.3
60.53499	0.6
61.98837	5.3
63.31598	0.6
67.01897	1.4
69.03449	1.2
71.01388	2.0
79.01910	1.7
83.01411	0.6
88.98798	0.7
89.03988	2.1
92.53448	0.6
95.01394	1.2
97.02974	1.6
107.01397	22.1
111.00867	1.4
117.03470	8.6
120.99739	0.6
121.02946	10.6
123.00893	10.8
124.01678	1.4
125.02448	68.8
132.02173	1.4
133.03004	1.4
134.03743	81.0
135.04472	2.9
137.02435	1.4
139.00330	3.1
139.03989	1.1
140.01183	0.8
141.01892	1.2
147.04544	1.3
149.06076	7.6
151.00351	6.9
153.01923	1.2
160.01654	5.4
161.02432	3.5
163.04028	0.7
165.05551	0.8
168.00679	3.1
168.35999	0.6
169.01425	100.0
170.01744	1.0
174.03207	1.2
175.04028	4.8
176.04784	2.5
178.02715	4.0
179.03564	1.2
183.02977	9.7
193.05060	62.3
194.05399	1.0
202.02757	1.9
207.06688	0.8
217.05067	3.5
227.03503	0.7
255.03122	0.9
284.03290	1.0
295.04715	2.7
318.78891	0.8
397.05722	1.0
417.08255	73.8
418.08499	3.3
427.10760	1.0
435.09045	1.2
468.83163	0.7
487.09894	1.0
611.14093	32.7
612.14221	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	609.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22105	0.9
55.45061	0.9
60.99301	11.6
61.98818	3.5
65.55267	0.9
71.53800	1.1
85.05685	1.1
88.98803	100.0
89.02451	3.7
91.97460	1.0
112.38734	0.9
125.50584	0.9
142.31209	0.9
160.47768	0.9
167.86278	1.1
169.43192	0.9
237.89224	0.9
299.99118	2.1
404.55258	0.9
487.33853	1.4
582.16034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.9
58.73048	0.8
59.01371	2.7
61.98829	100.0
69.24541	8.3
71.01379	1.1
74.18568	0.9
78.95907	1.4
81.03456	3.1
82.53783	0.9
83.01373	8.5
83.17363	0.8
88.98786	0.8
93.03476	1.1
107.01379	1.2
111.56280	0.9
117.03483	1.0
123.00848	0.9
123.04524	23.2
125.02444	58.3
133.02928	3.6
135.04500	3.1
139.03983	1.3
145.02943	2.3
149.02417	1.3
151.00351	3.9
151.04021	1.0
161.02437	12.0
166.02686	4.0
167.03488	70.9
168.03842	1.8
168.92111	0.9
175.03993	1.5
176.04781	1.5
179.03488	9.7
187.83257	0.9
191.03474	1.1
195.47987	0.8
205.08727	1.9
209.11636	0.9
221.04642	1.2
221.52222	0.8
241.08655	1.1
259.09570	1.8
281.06580	1.2
281.11652	1.2
285.04025	3.7
286.04272	1.3
288.06339	2.3
297.11255	1.2
323.13129	1.1
336.61731	0.9
367.11813	2.2
385.12897	94.7
386.13159	5.6
491.28653	1.1
547.22406	8.4
610.13147	2.0
610.26727	1.3
611.14465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01379	3.3
60.99301	1.0
61.98539	0.8
61.98830	11.2
63.02397	2.3
65.00323	9.9
71.01365	1.6
72.99287	0.6
75.00854	0.7
83.01386	6.7
85.02956	1.0
87.00842	0.5
88.98796	4.7
89.02431	0.6
93.03460	6.5
95.01405	0.7
99.00877	0.5
101.02453	0.9
107.01389	15.3
109.02927	0.6
113.02444	1.3
117.03446	1.8
119.05025	29.9
120.05343	0.6
121.02950	1.0
125.02453	4.6
131.01326	0.5
132.02179	0.8
133.02930	1.6
134.03764	2.1
135.04506	0.9
137.02426	1.4
143.04988	0.5
145.02940	4.9
149.02434	0.8
149.06094	0.6
151.00363	47.7
152.00723	0.6
160.01636	3.6
161.02415	2.5
161.06047	1.3
163.03979	1.0
165.01898	2.4
169.01408	2.7
175.00383	3.8
175.04008	5.3
176.04910	0.5
177.01924	4.1
178.99835	0.4
179.03465	1.2
181.42297	0.4
183.14000	0.6
185.06024	1.8
187.03996	2.4
191.07173	0.7
193.01390	1.7
193.05019	2.1
206.15990	0.5
213.21434	0.5
227.07133	1.7
229.04961	0.8
235.06136	1.2
255.03084	0.6
265.07184	0.5
269.04398	0.6
271.06107	100.0
272.06433	3.8
285.04065	1.3
285.07513	0.6
295.05615	3.4
295.08740	1.1
301.03424	2.1
307.08295	1.4
309.04025	1.6
313.07306	2.3
323.07617	1.0
337.09262	9.4
359.27997	1.5
381.78146	0.6
423.52991	0.5
446.10309	0.5
489.10529	0.6
489.34070	0.5
609.15735	5.0
609.28491	1.8
609.36786	0.8
610.17255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.2
57.92945	1.9
59.01379	37.1
61.98814	2.1
67.01881	2.9
69.35764	13.5
71.01010	2.2
71.01382	27.7
72.99302	7.1
73.02951	8.9
75.00874	37.2
83.01378	5.8
85.02942	23.0
87.00881	19.8
89.02428	10.7
92.21202	1.7
93.03443	14.5
94.22755	1.9
99.00875	5.8
101.02428	13.8
105.01937	14.6
108.02179	3.3
110.24113	1.7
111.00887	5.0
111.04447	3.2
113.02443	5.9
125.02437	4.0
127.04064	2.6
129.01930	11.8
135.02982	7.2
135.04443	2.6
137.02425	2.4
147.03011	2.4
152.01122	4.4
155.04915	2.0
158.03665	1.9
159.03011	4.4
159.04443	3.7
161.02388	5.2
161.04439	2.0
167.10712	3.1
172.05244	2.7
173.04517	18.4
173.06036	9.1
177.04021	43.5
179.03485	2.5
183.04486	22.6
185.06012	2.3
191.05597	35.0
195.05186	8.9
197.02382	2.4
198.03206	2.3
199.03995	5.5
200.04773	17.6
201.05547	70.7
202.05954	2.4
211.03975	39.9
214.02701	3.0
225.01840	6.6
226.02647	2.7
227.03523	16.9
229.05038	82.4
230.05319	2.0
245.04546	6.3
253.01385	28.6
254.01595	2.0
255.02930	7.0
273.04022	100.0
274.04297	6.2
281.00949	15.6
288.61813	2.1
298.01202	10.2
299.01974	8.5
317.02957	19.7
328.95639	2.2
345.15482	2.8
357.13464	6.7
387.16589	12.4
416.92126	2.0
429.08163	2.0
435.05591	14.9
447.09262	56.9
448.09711	2.6
457.16818	2.5
461.11288	2.2
473.06924	11.1
491.08185	46.2
499.18066	8.3
529.19159	8.5
565.21313	76.7
566.21686	6.0
609.11218	36.5
609.23193	7.9
610.11365	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
59.01155	0.3
59.01384	3.8
60.21912	0.4
63.02389	0.7
65.00328	1.6
69.05824	0.4
69.38643	0.6
69.39045	2.6
71.01382	3.7
72.99319	0.6
73.02946	0.5
77.36848	0.4
78.18016	0.5
83.01373	1.1
85.02948	1.2
87.00873	1.3
89.02435	1.9
93.03462	0.9
98.20605	0.7
99.00880	0.5
101.02435	1.4
103.90073	0.5
105.01900	2.0
106.02257	0.5
107.01383	3.6
107.19633	0.4
108.02176	1.6
109.02945	1.3
113.02415	0.6
117.86616	0.4
119.03516	0.4
119.69393	0.4
121.02974	2.2
125.02473	0.7
129.01932	1.4
133.02992	0.5
135.00868	1.0
135.04541	0.5
148.01694	1.2
151.00368	13.6
151.56166	0.4
159.04514	0.6
161.02443	1.4
163.00377	2.8
164.01173	0.9
169.01387	0.6
174.03354	0.5
175.17435	0.4
177.04030	1.2
177.05566	0.5
178.99850	6.1
183.04608	0.7
187.04034	0.5
190.99878	0.5
193.01318	0.6
195.05113	2.2
196.05518	0.7
199.04022	1.1
201.05562	0.8
203.03436	0.6
205.12347	0.7
206.12523	0.4
211.03957	1.3
215.03656	1.0
216.04271	0.8
226.02695	1.6
227.03484	3.6
229.05045	1.6
243.02948	11.3
244.03619	0.8
245.04520	1.1
249.11258	0.4
251.12758	0.7
254.02184	1.9
255.02971	31.1
256.03418	1.7
271.02463	60.8
272.02975	3.9
273.04034	1.7
283.02496	1.3
284.03256	1.0
285.03949	1.4
299.01971	1.2
300.02734	95.7
301.03473	37.6
301.08481	0.7
302.03891	1.8
343.04678	1.0
411.15729	0.6
424.26498	0.5
429.17319	0.6
431.19043	1.0
447.09198	1.4
565.21600	0.7
590.22321	0.5
591.22131	0.7
608.22949	1.5
609.14569	100.0
609.23114	7.9
610.14868	8.4
610.23889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01379	3.3
60.99301	1.0
61.98539	0.8
61.98830	11.2
63.02397	2.3
65.00323	9.9
71.01365	1.6
72.99287	0.6
75.00854	0.7
83.01386	6.7
85.02956	1.0
87.00842	0.5
88.98796	4.7
89.02431	0.6
93.03460	6.5
95.01405	0.7
99.00877	0.5
101.02453	0.9
107.01389	15.3
109.02927	0.6
113.02444	1.3
117.03446	1.8
119.05025	29.9
120.05343	0.6
121.02950	1.0
125.02453	4.6
131.01326	0.5
132.02179	0.8
133.02930	1.6
134.03764	2.1
135.04506	0.9
137.02426	1.4
143.04988	0.5
145.02940	4.9
149.02434	0.8
149.06094	0.6
151.00363	47.7
152.00723	0.6
160.01636	3.6
161.02415	2.5
161.06047	1.3
163.03979	1.0
165.01898	2.4
169.01408	2.7
175.00383	3.8
175.04008	5.3
176.04910	0.5
177.01924	4.1
178.99835	0.4
179.03465	1.2
181.42297	0.4
183.14000	0.6
185.06024	1.8
187.03996	2.4
191.07173	0.7
193.01390	1.7
193.05019	2.1
206.15990	0.5
213.21434	0.5
227.07133	1.7
229.04961	0.8
235.06136	1.2
255.03084	0.6
265.07184	0.5
269.04398	0.6
271.06107	100.0
272.06433	3.8
285.04065	1.3
285.07513	0.6
295.05615	3.4
295.08740	1.1
301.03424	2.1
307.08295	1.4
309.04025	1.6
313.07306	2.3
323.07617	1.0
337.09262	9.4
359.27997	1.5
381.78146	0.6
423.52991	0.5
446.10309	0.5
489.10529	0.6
489.34070	0.5
609.15735	5.0
609.28491	1.8
609.36786	0.8
610.17255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.3
61.98803	1.5
69.42757	1.0
69.43164	3.4
75.00864	1.6
78.12151	0.5
83.01357	1.0
86.91940	0.7
87.00871	0.7
89.02424	0.8
93.03458	0.8
107.01349	1.3
111.00893	2.6
117.03491	1.0
121.02916	0.5
125.02472	0.7
135.03004	7.6
135.04507	0.7
151.00366	2.9
159.04503	1.1
161.02470	0.6
163.00403	0.7
165.01894	0.5
169.01329	0.7
183.04482	4.1
185.06023	0.7
187.03923	0.7
195.04587	0.6
199.03943	1.1
209.75946	0.5
211.04002	3.7
213.05600	0.8
227.03488	13.3
229.05029	1.5
255.02975	53.7
256.03564	3.7
269.04440	1.2
283.02463	100.0
284.03171	25.8
285.04028	56.2
286.04346	1.2
297.06403	1.1
326.04373	1.0
327.05020	2.1
446.08557	15.2
447.09277	95.3
448.09756	4.6
489.10425	7.7
513.10535	0.7
531.11664	0.8
609.14648	36.4
610.15057	2.0
613.90802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Cyanin
Peak:m/z	Relative Intensity
51.77842	0.9
55.03190	1.0
63.02411	1.0
65.00352	1.1
70.03323	4.1
73.23370	0.8
74.79195	1.0
80.83724	0.9
84.62940	1.0
85.02957	1.6
93.03472	1.3
107.01396	2.3
111.14930	1.0
122.74323	1.1
151.00352	7.6
159.04579	1.6
171.04471	1.4
173.02513	1.0
175.03903	1.3
183.04497	4.1
185.06165	1.0
187.04080	1.4
191.05553	1.1
199.04027	1.7
201.05560	1.6
203.46521	0.9
211.03979	4.2
215.03523	1.8
227.03494	9.0
229.04961	1.5
240.77383	1.1
243.02917	1.5
255.02986	54.4
256.03464	3.2
271.02472	20.7
283.02475	100.0
284.03183	14.9
285.04034	84.1
286.04337	3.5
299.01965	35.2
300.02692	5.3
301.03506	25.6
327.05136	3.4
446.02988	1.4
446.08560	14.1
447.09280	66.2
448.09570	3.4
451.59097	1.1
462.08075	9.3
463.08676	9.6
489.10330	5.0
609.14557	72.7
610.14832	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	609.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98827	1.4
62.99522	0.4
63.02393	1.6
65.00322	1.3
65.33272	0.4
68.46558	0.5
69.58884	2.4
71.01384	2.6
73.02943	0.5
83.01407	1.4
85.02982	0.6
89.12705	0.5
93.03470	1.6
95.01405	0.5
101.02438	0.6
103.02473	0.5
107.01403	3.8
109.02961	1.3
115.75806	0.4
117.03466	0.9
132.02180	1.5
133.02963	17.1
134.03741	1.4
135.00882	1.0
135.04529	24.8
137.02489	0.9
143.05032	1.4
149.05984	1.0
151.00349	5.4
154.04268	0.9
157.59036	0.5
159.04509	1.5
161.02441	43.6
162.02710	0.7
163.00371	2.4
164.01082	0.9
167.04999	0.6
169.06555	0.8
171.04491	0.9
173.06046	0.5
175.04010	0.5
177.05522	2.7
179.03500	17.4
180.03886	0.6
183.04474	1.0
183.52438	0.5
185.02457	0.5
185.06075	2.8
187.04022	2.5
188.04205	0.5
189.05553	1.7
197.06035	0.6
199.04030	1.0
200.04787	0.6
201.05455	0.9
203.03473	1.2
211.03993	2.5
213.05508	2.1
221.04488	3.6
227.03487	21.1
228.03825	0.7
229.05029	10.2
239.03532	2.0
240.04362	0.6
241.05026	1.4
243.02856	0.6
255.02980	36.2
256.03638	4.4
257.04550	7.1
284.03262	36.8
285.04034	92.9
286.04318	4.8
323.07700	24.6
324.07986	1.1
327.04813	0.8
447.09277	4.3
609.12457	100.0
610.12878	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	609.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74713	0.7
54.92040	0.6
59.01361	0.9
61.98822	2.1
63.02395	0.9
65.00327	1.5
70.58912	0.6
83.01394	0.8
90.34009	0.6
106.68470	0.6
107.01391	2.9
108.02180	1.0
109.02988	1.5
112.45508	0.5
117.03432	0.7
121.02944	1.6
121.57088	0.6
125.02447	0.8
133.02939	1.0
135.00824	0.9
135.04495	1.3
145.02969	2.3
148.01695	1.8
151.00357	11.0
161.02492	1.9
163.00351	2.8
164.01186	0.9
178.99867	5.0
192.00708	0.7
199.04004	1.2
203.03360	0.7
211.04018	1.1
215.03520	1.1
226.02756	1.3
227.03436	3.0
229.04941	0.8
243.02957	12.3
243.05305	0.9
245.04500	1.1
253.85797	0.6
254.02180	2.3
255.02957	28.1
271.02469	56.7
272.03113	3.4
273.03970	1.4
283.02353	0.8
284.03275	0.8
285.03964	1.8
299.01926	1.4
300.02737	100.0
301.03467	39.6
302.03815	2.3
355.81631	0.7
380.41074	0.7
463.08829	61.4
464.08896	3.2
547.21307	0.8
609.12463	54.4
610.12671	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	607.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75481	0.9
54.64275	0.9
55.01867	1.4
57.03440	4.3
59.01376	33.1
60.28476	0.9
65.19215	0.9
69.03453	1.4
69.83418	4.5
69.83825	2.1
71.01008	1.9
71.01379	24.4
72.22910	1.0
72.99310	2.2
75.00868	28.3
80.84655	1.0
83.01377	2.2
85.02953	12.1
87.00881	6.8
89.02443	12.6
97.02938	3.2
98.19930	1.1
99.00875	6.9
99.04495	1.4
101.02452	7.2
111.00890	1.9
111.04491	1.3
111.49781	1.1
113.02449	5.6
119.03508	5.1
119.04983	1.0
126.18429	0.9
128.58710	1.1
129.01949	17.8
130.09450	0.9
135.04507	2.0
141.01924	2.5
159.02985	7.3
161.02361	1.9
161.04550	1.1
161.13335	4.7
177.04037	37.0
182.91533	1.2
187.11258	6.3
195.05081	31.5
199.35831	1.1
205.12340	17.0
231.10094	1.2
249.11270	9.5
281.03262	1.3
345.18713	1.3
409.14905	9.5
427.16019	16.7
429.17566	4.8
589.21606	8.3
607.22412	100.0
608.22522	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	607.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.4
59.01380	30.6
68.99817	1.3
69.03463	2.5
69.88785	3.6
69.89195	2.5
71.01011	1.8
71.01383	24.3
72.99310	2.8
73.02962	1.1
75.00874	34.6
83.01379	2.3
85.02955	11.8
87.00867	7.1
89.02441	11.3
97.02966	2.7
99.00862	6.5
99.04517	1.3
101.02445	6.5
111.00893	3.2
113.02452	2.4
115.03956	1.2
116.15640	1.2
119.03477	2.2
129.01952	17.8
138.31955	1.0
141.01945	2.7
159.02972	5.9
160.96672	1.1
161.13321	5.6
177.04033	37.1
187.11313	6.2
195.05099	32.1
205.12338	7.7
249.11247	6.9
383.17014	1.3
409.14941	6.8
427.15924	7.6
429.16934	1.6
589.21484	6.2
607.22449	100.0
608.22894	7.2
635.56171	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	609.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35138	2.0
51.66830	2.2
57.03440	1.8
58.70246	2.1
59.01376	19.7
59.35512	1.9
63.83996	2.2
69.38902	5.9
69.39327	11.6
71.01379	14.7
73.02941	6.2
75.00867	25.5
82.52367	2.1
84.37830	2.2
85.02949	12.7
87.00870	16.1
89.02406	5.2
93.03452	19.5
99.00869	7.4
101.02435	5.3
108.02149	5.7
109.02940	3.3
111.04489	7.2
129.01910	8.5
135.02983	8.2
135.04506	4.0
149.24393	2.0
152.01176	11.4
159.04448	4.4
161.02374	5.1
169.02945	2.1
171.04445	2.6
173.04517	16.4
173.06046	7.0
177.04062	25.2
179.03470	2.8
182.03694	2.8
183.04480	15.6
184.04886	2.4
185.06117	3.1
191.05595	42.1
195.05110	5.0
199.03943	5.0
200.04756	18.1
201.05568	80.7
205.11884	1.9
211.03996	29.7
214.02782	2.6
225.01855	7.5
226.02562	3.3
227.03456	14.7
229.05034	99.7
245.04504	6.4
253.01384	37.3
254.02060	2.4
255.02882	7.2
273.04041	100.0
274.04437	4.4
281.00961	20.5
298.01193	10.8
299.01971	9.4
317.02917	6.7
345.15430	2.7
387.16483	4.7
435.05447	7.8
447.09219	67.7
448.09909	3.3
473.07272	10.2
491.08286	46.8
492.08972	3.3
529.19250	5.1
565.21375	42.0
609.10834	46.4
609.23621	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	607.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
58.00597	1.2
59.01374	18.8
61.98826	12.7
65.13444	1.0
69.25459	8.9
69.25860	1.9
71.01378	12.1
72.99284	3.1
75.00860	6.0
75.69548	1.0
79.15994	1.0
83.01374	2.8
85.02940	4.7
87.00860	4.8
89.02448	10.0
89.75392	1.0
93.03473	1.2
95.01373	1.8
97.02948	1.1
99.00841	1.9
99.04531	1.9
101.02438	5.1
102.96870	1.2
105.01920	11.4
107.01356	1.6
109.02905	1.9
111.00863	4.7
111.55489	1.1
113.02415	3.5
119.03499	1.7
121.02948	3.0
124.01633	2.9
125.02422	1.8
128.84305	1.0
129.01933	6.0
134.03761	1.9
135.04498	2.0
137.02365	2.2
139.00354	2.8
139.04010	36.1
146.03676	4.8
147.02963	3.5
149.02405	1.9
149.06087	2.1
151.00385	7.0
151.03891	1.8
153.05559	5.2
161.02458	6.3
161.06050	3.1
161.13379	5.4
163.00342	7.8
164.04747	5.7
165.01900	4.2
165.05411	1.4
166.02707	13.8
167.03349	1.8
177.04086	6.8
178.02705	9.7
178.99791	1.7
179.03436	3.4
179.05699	2.0
179.07129	17.8
180.04324	1.3
181.01459	8.1
181.05058	22.0
183.06569	3.9
187.11162	3.9
193.01363	4.5
193.05043	25.6
194.02156	3.8
194.05611	1.6
195.02888	3.6
195.05042	6.2
195.06664	2.4
196.03752	18.9
197.04497	5.7
205.12352	10.1
207.03003	1.5
208.03723	2.6
209.11766	1.3
211.06097	100.0
212.06494	1.3
223.06099	24.8
227.03346	2.0
229.12143	1.3
241.07152	17.3
243.02876	2.0
249.11308	7.0
255.02975	7.1
269.04340	1.7
270.05060	1.2
271.02451	16.1
284.06882	7.8
285.07489	2.3
288.32672	1.0
299.09207	10.2
300.02707	28.1
300.10007	2.6
301.03461	12.9
314.11517	2.8
328.09515	1.7
343.07983	1.5
343.11725	3.3
358.10550	3.8
373.12827	19.6
374.13165	1.2
379.13715	1.4
403.13699	7.0
409.14923	12.3
427.15683	2.0
429.17603	4.0
447.09198	1.4
463.08841	16.3
464.09201	1.3
505.09799	11.8
545.12555	3.1
580.00604	1.2
589.21375	14.7
607.12939	5.4
607.22266	38.2
608.22656	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	606.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75019	0.4
59.01376	1.5
60.82446	0.4
61.98830	100.0
70.38754	0.5
70.39100	1.3
78.95914	0.5
87.00871	0.4
97.10852	0.4
209.11891	0.5
422.52356	0.5
606.40961	1.6
607.23975	0.6
621.79803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34779	0.5
59.01353	0.9
60.99306	0.6
61.98829	100.0
69.26442	5.0
71.01398	0.6
75.63561	0.5
76.30509	0.5
82.32834	0.5
85.02949	0.6
86.86946	0.5
88.98803	5.0
89.02464	1.0
96.85777	0.5
96.96015	1.5
105.76380	0.5
116.92882	0.6
135.92873	0.5
150.08934	0.5
167.31247	0.5
210.61118	0.6
254.10779	0.5
255.20999	0.6
274.46405	0.6
448.19019	0.6
606.27966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01379	17.4
61.61044	1.4
61.98824	1.6
65.00322	3.4
68.99800	1.4
69.68182	8.1
71.01384	11.8
72.99299	3.3
75.00866	20.3
83.01394	3.9
85.02948	6.2
87.00885	3.3
89.02443	9.9
91.01891	2.1
93.03458	2.6
96.96021	3.7
97.02963	2.7
99.00863	2.9
101.02441	4.8
109.02963	6.8
111.00894	4.0
113.02420	3.4
117.03465	3.0
119.03511	3.2
119.05013	6.1
121.02923	7.2
123.00818	2.0
123.04533	3.6
125.02435	7.6
129.01927	8.6
133.02963	4.9
135.00839	1.9
135.02988	26.6
137.02437	3.6
138.29704	1.5
145.02963	8.1
145.03981	1.2
147.00885	5.2
147.04489	4.2
149.02446	3.7
150.03253	1.5
151.00349	1.7
151.04001	4.0
159.03006	3.7
159.04420	2.6
161.02455	15.2
161.13362	3.1
163.00349	10.6
163.04030	9.5
165.01952	8.0
169.01437	4.0
173.02411	5.9
175.00375	3.2
175.04002	15.8
177.01944	6.8
177.04057	5.4
179.03569	1.6
181.01378	3.2
182.25568	1.4
185.02512	1.5
189.01897	7.9
191.03511	10.0
191.05072	1.7
195.05080	33.8
201.01918	5.5
202.99858	21.5
203.03554	6.5
203.50702	1.3
205.01389	5.0
205.05081	2.5
205.12376	6.4
217.01370	8.6
219.02988	9.1
229.01434	20.0
229.05098	5.1
231.02942	3.6
233.00899	5.3
243.02956	1.6
245.00931	15.6
246.98817	100.0
247.02469	27.0
247.99205	2.7
249.11324	4.7
259.99622	1.7
261.00388	31.8
271.06137	1.8
273.00391	53.6
274.00903	3.1
289.46259	1.4
291.01511	12.3
315.05069	23.0
316.99622	1.6
333.06146	25.1
339.05151	2.2
359.07840	1.4
427.15997	1.6
429.17599	5.2
471.13062	1.4
477.09830	2.6
519.09271	4.7
545.07031	5.8
607.07428	4.6
607.22571	36.0
608.23267	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	605.4057
Annotation	MK 800-62F1
Peak:m/z	Relative Intensity
51.99012	0.3
55.37925	0.4
59.01377	2.6
61.98823	1.3
68.99558	0.4
69.31365	2.8
69.84760	0.3
71.01376	0.8
73.02917	0.4
78.95888	0.9
85.02943	0.4
96.96016	0.8
98.20671	0.7
99.87054	0.4
101.02415	1.1
112.98587	0.5
121.03004	0.3
125.42015	0.3
125.63615	0.3
131.03477	1.1
145.02904	0.6
152.99577	0.4
203.55029	0.3
209.11795	1.3
218.60902	0.3
358.87823	0.4
363.12097	0.4
487.33536	0.4
557.38586	0.5
587.37811	0.4
603.39050	1.2
605.40558	100.0
606.40955	10.7
606.50812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03447	1.8
57.09492	0.9
58.00590	1.2
59.01381	41.2
61.98829	16.7
66.02843	1.0
68.06198	0.9
69.23875	1.5
69.24274	8.2
71.01381	28.7
71.05024	1.2
72.99300	3.9
73.02943	7.8
75.00876	2.6
78.95908	1.8
83.01385	3.4
85.02948	13.4
87.00898	3.0
88.98808	1.6
89.02446	21.0
95.01387	1.9
96.95998	3.2
99.00871	1.7
101.02444	35.0
107.26356	0.9
108.00706	0.9
113.02446	10.7
115.92092	2.7
116.92818	1.8
117.01880	1.0
119.03493	9.4
125.02423	2.0
131.03499	42.9
143.03481	3.6
147.04535	1.1
161.04576	9.1
169.01460	0.9
179.05605	22.3
191.08401	1.0
221.06635	4.8
255.20580	0.9
425.26981	1.9
439.89658	1.2
545.29700	13.9
546.29688	1.3
561.41504	16.8
562.41901	1.5
574.80951	1.0
605.28790	3.6
605.40558	100.0
606.40912	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	605.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
57.03438	2.6
57.70065	1.9
58.00593	2.4
59.01379	60.2
60.48719	1.8
61.98830	21.5
66.77094	1.8
71.01010	3.0
71.01383	43.0
71.53498	2.7
72.99305	3.8
73.02931	11.2
75.00863	2.8
83.01377	6.4
85.02955	16.6
86.19615	1.8
86.32027	2.1
87.00871	5.5
88.27832	2.2
88.98804	2.5
89.02443	35.4
94.37724	1.8
95.01397	3.0
96.96021	5.2
97.63903	1.8
99.00906	3.1
101.02441	44.2
113.02443	19.2
115.92060	3.7
119.03498	15.0
125.02431	2.7
127.10863	2.0
131.03505	39.2
143.03468	3.7
159.39905	2.1
161.04507	13.2
179.05618	37.6
221.06627	9.4
476.55197	2.1
545.29663	24.4
561.41205	12.8
604.39771	4.2
605.30182	4.9
605.40564	100.0
606.41034	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	605.4057
Annotation	MK 800-62F1
Peak:m/z	Relative Intensity
55.01871	0.2
57.03441	0.4
59.01374	1.6
61.98810	0.3
67.48733	0.2
69.03448	0.2
71.05009	1.1
73.05249	0.2
85.02940	0.3
98.19855	0.5
101.02435	0.7
105.04510	0.2
106.11959	0.2
115.92024	0.2
120.44420	0.2
130.15074	0.2
131.03488	0.7
131.23288	0.2
135.12874	0.2
139.42775	0.2
160.45805	0.2
183.89040	0.2
229.96696	0.2
299.07449	0.2
299.65689	0.2
312.51859	0.2
351.55746	0.2
480.22067	0.2
545.38562	4.1
545.46509	0.3
546.38745	0.4
605.40546	100.0
606.40900	11.7
606.50928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.406
Annotation	MK 800-62F1
Peak:m/z	Relative Intensity
55.01873	0.3
57.03438	0.4
59.01114	0.5
59.01379	6.3
60.99303	2.7
61.98821	1.5
70.86633	0.5
71.01376	2.2
72.99299	0.6
73.02937	0.4
78.95901	0.8
83.01390	0.6
85.02953	1.5
86.00081	1.2
87.00865	0.4
96.96011	0.7
99.00856	0.4
101.02444	3.1
112.82314	0.3
113.02463	0.4
116.92836	0.4
131.03490	2.0
141.22922	0.3
152.99625	0.3
155.40324	0.3
170.01576	0.3
380.06335	0.3
411.25644	0.3
465.26456	0.3
487.34280	1.0
559.40100	0.4
605.40552	100.0
606.32153	0.4
606.40887	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	605.277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13023	2.0
61.98824	5.6
70.64915	6.8
78.95892	2.2
96.95961	2.9
97.65331	2.0
99.37534	2.3
102.93281	2.1
135.86717	2.2
136.07051	2.2
150.57695	2.1
199.13354	4.0
398.85394	2.6
429.16394	3.2
430.17966	6.9
445.20297	100.0
446.20605	7.8
459.21945	22.0
460.22433	6.1
493.04807	2.4
504.21628	51.2
505.21716	3.0
518.23291	13.0
519.24036	75.9
520.24341	6.5
573.25055	3.5
605.18805	3.3
605.27747	49.5
606.28040	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	605.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53312	4.6
78.95920	1.2
98.19850	0.6
126.53571	0.6
136.83203	0.6
308.68265	0.8
403.06201	0.6
427.19171	0.6
429.17242	2.7
430.17926	8.8
434.72614	0.7
444.19473	2.5
445.20300	100.0
446.20618	7.2
459.21851	19.6
460.22449	6.7
462.16727	1.6
473.19507	2.4
485.19678	0.8
487.21292	1.6
504.21671	63.7
505.21945	6.0
518.23236	15.5
519.23969	87.7
520.24463	8.1
573.25037	3.8
605.27643	59.5
606.27985	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	605.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33227	0.4
59.01103	0.7
59.01374	6.5
60.36683	0.6
60.99306	15.3
61.98825	5.9
69.40723	1.8
69.41152	2.0
71.01376	1.7
72.99290	0.6
78.95887	0.7
83.01369	0.7
83.79327	0.5
85.02938	1.2
87.00868	0.6
88.98802	100.0
89.02436	3.8
96.96014	1.4
98.19859	0.9
99.00878	0.5
101.02449	2.0
113.02434	1.0
116.92859	1.0
119.68304	0.4
124.83657	0.5
131.03496	3.5
132.03864	1.1
145.02914	0.7
147.22115	0.5
150.87012	0.6
236.49878	0.5
357.79099	0.5
367.48120	0.5
374.61728	0.5
387.17133	0.5
515.28625	1.6
560.40216	1.2
561.40521	3.4
604.39532	1.5
605.31189	1.2
605.39990	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	605.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59218	0.8
58.45991	0.8
59.01369	2.8
70.64988	0.9
71.01376	2.6
72.99314	1.4
73.02942	1.0
74.92755	0.8
75.00867	5.6
85.02956	1.1
85.34438	0.8
89.02421	2.1
89.22411	0.8
92.15825	0.9
93.03506	1.4
93.07342	0.9
103.00327	1.2
108.37952	0.9
109.24572	0.9
113.02459	1.1
117.03457	2.4
119.05028	40.6
125.02423	1.3
132.02132	1.4
133.02965	24.3
134.03656	1.7
135.03027	14.7
135.04524	79.6
136.04848	1.9
137.02382	1.0
140.51895	1.0
145.02936	5.6
149.06094	1.9
161.02441	77.9
162.02769	2.4
163.03993	24.5
168.76016	0.9
177.01945	1.2
177.05554	4.3
178.02820	1.0
179.03493	100.0
180.03819	2.7
203.03418	1.6
221.04466	3.9
263.05420	1.3
280.05869	1.3
307.08115	2.6
323.07684	30.0
324.07956	1.6
341.08542	1.0
443.13235	2.8
469.11453	3.0
487.12436	67.4
488.13126	5.9
517.13080	2.3
605.14948	33.1
606.15186	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	605.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43757	0.2
69.42797	2.0
97.68941	0.2
98.20642	0.6
101.57963	0.3
102.89590	0.3
109.90535	0.3
121.16920	0.2
173.15422	0.3
207.48761	0.3
394.12045	0.3
415.15573	0.7
416.16684	0.6
428.16562	0.5
429.17175	0.9
430.17990	1.0
443.18994	0.5
444.20157	0.6
448.18661	0.4
453.17517	0.3
457.20700	1.8
458.16980	0.4
459.17798	2.8
461.23685	0.6
470.21744	0.6
471.18198	2.0
472.18835	1.0
473.19632	4.5
475.21484	0.4
485.18710	2.5
485.24298	0.9
486.20789	3.9
487.21393	0.9
496.19107	0.9
499.17459	2.0
500.17542	0.6
501.17627	0.4
501.22882	2.3
502.20746	0.3
511.21317	2.6
512.21997	0.6
513.19299	2.2
514.20007	8.0
515.20239	0.4
517.00671	0.3
517.18793	0.9
518.19501	2.0
528.21637	0.7
529.22430	100.0
530.22760	9.3
532.21143	2.0
533.21753	1.9
561.25092	1.0
573.21606	1.5
605.23773	1.5
605.37860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46054	0.6
86.54254	0.6
98.20611	1.1
98.51317	0.6
145.02942	1.7
152.27386	0.5
167.92242	0.7
392.01584	0.6
415.15707	0.7
444.19492	0.7
457.20343	2.3
459.17902	3.1
471.18295	1.3
472.18713	0.8
473.19757	3.6
485.19525	1.8
485.24475	1.2
486.20782	3.5
487.21497	0.9
496.19135	1.1
499.17725	1.9
501.22772	2.0
511.21417	2.1
513.19397	2.6
514.20081	8.5
518.19452	1.6
528.21936	1.0
529.22437	100.0
530.22717	8.8
532.21332	1.7
533.22003	1.7
561.25238	0.9
573.21869	1.4
605.24591	1.7
605.38550	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	605.151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39836	0.9
59.01395	2.1
71.01375	2.7
72.99281	1.1
75.00865	5.0
85.02940	1.4
86.89545	0.9
89.02451	1.2
98.19848	2.0
101.02472	1.9
113.02438	1.1
117.01903	1.2
117.03474	1.6
119.05023	42.0
125.02470	1.4
133.02959	21.9
134.03726	2.3
135.03020	14.7
135.04524	74.8
136.04779	2.1
145.02930	4.8
149.06091	2.4
161.02437	76.2
162.02786	2.7
163.04005	24.9
169.01379	2.3
177.05565	5.1
179.03490	100.0
180.03793	2.4
193.05043	1.3
203.03410	1.0
221.04495	4.2
263.05499	1.2
289.07315	1.2
307.08209	3.5
323.07736	28.9
324.07852	1.4
443.13144	2.7
469.11230	4.9
487.12448	61.4
488.12823	5.9
517.13696	2.0
555.09015	2.1
605.14972	33.3
606.15448	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	605.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86670	0.7
59.01371	2.2
64.91945	0.8
71.01369	3.2
73.02937	1.7
75.00854	3.4
85.02919	1.4
87.00887	1.1
88.20404	0.9
89.03917	0.7
93.03445	0.9
96.95995	1.6
109.02921	1.6
111.00879	1.3
117.01888	1.3
117.03448	1.6
119.05024	55.6
121.02901	1.0
123.00851	1.0
123.04510	0.8
125.02445	4.3
131.07150	1.7
132.02151	1.5
133.02953	24.5
134.03783	1.6
135.03021	5.4
135.04517	31.6
137.02431	2.1
145.02945	2.2
147.04474	1.0
148.05348	0.8
149.06036	1.7
159.04431	1.1
161.02434	100.0
162.02773	2.5
163.03993	31.8
164.04282	0.8
168.00603	1.1
169.01379	3.6
171.04536	1.0
173.08113	0.9
175.03975	1.8
177.01924	1.1
177.05623	4.7
178.02667	0.9
179.01907	1.1
179.03490	22.4
191.03531	2.4
193.05016	1.3
201.01653	1.0
201.11093	0.8
203.03490	2.3
219.02876	1.5
221.04491	4.9
230.76021	0.9
237.03917	6.8
263.05511	1.9
280.05719	1.2
283.02380	1.5
304.39731	0.8
308.27527	0.8
323.07709	39.6
324.07928	1.2
395.79330	0.9
443.12436	1.1
465.06793	1.0
485.10773	2.2
487.12451	83.2
488.12677	6.7
529.12683	0.9
555.09222	7.7
556.09277	1.0
573.10181	1.3
605.15076	19.2
606.14911	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03428	1.5
58.00576	1.0
59.01379	23.1
60.70750	0.9
60.99228	0.7
61.98816	3.2
64.94155	0.7
68.38027	0.7
70.54156	2.0
71.01369	4.9
71.05025	6.5
72.99311	1.2
73.02930	2.9
74.34943	0.8
78.64749	0.7
79.47351	0.6
83.01380	2.8
85.02950	8.4
86.00085	2.5
87.00850	1.8
87.28555	0.7
95.01292	0.8
97.11665	0.8
97.84596	0.7
98.80455	0.9
99.00890	1.6
101.02438	21.3
131.03497	47.1
203.96989	0.8
204.53560	0.8
209.11723	1.3
211.13376	3.2
289.01334	0.8
459.88440	0.9
484.29211	0.7
487.33823	1.5
543.36676	1.4
559.40027	43.1
560.40338	2.8
582.45544	0.9
603.39001	100.0
604.29407	1.5
604.39093	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	603.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15452	6.6
59.01376	60.7
61.98825	82.8
63.02592	6.1
65.06319	6.7
70.81428	17.8
71.01388	35.5
75.00867	6.8
77.95606	7.0
78.95891	18.4
85.02951	12.1
89.02430	16.7
96.95990	21.9
96.96970	13.7
99.92586	50.2
101.02438	28.8
113.02447	7.5
115.92071	61.2
116.92850	10.2
125.02455	9.3
131.03491	49.0
151.93869	6.3
169.01427	15.1
171.10158	7.1
209.11813	25.8
253.09303	8.0
256.08981	6.9
289.18097	8.8
487.34134	18.2
503.34351	7.7
557.37781	8.1
559.39685	24.5
560.40039	7.6
586.25879	23.6
591.39001	100.0
592.38507	8.0
603.25739	67.7
603.38000	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
69.20385	0.4
71.01379	1.2
72.99303	0.6
73.02943	0.6
81.94302	0.6
83.01390	1.0
85.02952	1.4
87.12849	0.5
89.02451	0.8
91.88947	0.5
98.19862	1.4
101.02457	2.5
108.61703	0.5
112.85328	0.5
131.03494	2.1
148.31451	0.5
156.20053	0.6
203.18564	0.5
260.74451	0.7
411.32700	0.6
543.36890	0.9
585.37952	7.9
586.38184	1.1
603.38995	100.0
604.39264	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	603.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93506	0.2
55.01867	0.6
57.03438	0.6
58.00586	0.7
59.01379	13.3
61.98824	0.2
69.40773	1.6
71.01382	3.7
71.05006	0.3
71.44378	0.2
72.99313	1.0
73.02959	1.5
75.00859	0.3
83.01382	1.4
85.02950	3.9
86.00094	4.1
87.00873	0.5
89.02442	0.6
95.91220	0.2
97.02910	0.2
99.00894	0.6
99.92593	0.2
101.02444	7.9
101.03112	0.4
105.63699	0.2
112.01606	0.3
113.02423	0.4
115.92117	0.5
131.03496	7.7
145.02884	0.2
451.35577	0.4
479.35556	0.3
541.39105	1.5
585.38263	1.1
603.38989	100.0
604.39301	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	603.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01381	15.2
60.91226	1.0
60.99296	2.3
61.98832	32.0
65.65080	1.0
65.91402	1.1
69.03459	1.1
71.01373	8.3
71.04998	2.1
71.53423	1.7
72.99291	2.1
73.02955	3.4
75.00859	1.7
78.95908	4.9
83.01382	2.0
85.02940	5.3
86.00071	2.3
87.00852	1.7
89.02468	1.5
96.96001	2.4
96.96955	5.5
97.06563	2.7
99.00875	2.9
99.92587	34.2
100.93343	3.6
101.02437	10.4
110.23016	1.0
115.00341	1.8
115.92080	74.1
116.92097	2.0
116.92853	12.5
117.01951	1.9
131.03488	5.4
133.19675	1.0
145.02957	1.5
169.01430	1.0
171.10182	1.2
183.20627	1.0
187.07562	1.2
211.13307	1.2
257.08276	1.1
393.21207	3.2
559.35101	1.2
585.25415	2.0
603.26215	74.5
603.38800	100.0
604.27216	9.9
604.38129	6.5
617.24438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.5
60.29169	3.5
60.99309	19.1
61.98821	5.6
69.49662	23.7
69.88414	4.2
70.56989	3.4
74.06432	3.1
78.95906	23.7
86.70467	3.5
87.00916	4.5
88.00368	4.5
88.98804	100.0
89.02447	67.0
97.28133	3.8
98.19918	7.6
99.35874	4.0
101.52139	3.2
128.45547	4.1
145.02924	11.7
152.99553	10.4
171.10265	16.4
217.51582	3.4
277.21878	3.7
287.52744	4.1
295.22827	5.9
300.46060	3.3
301.12363	3.9
307.09363	4.2
312.44397	3.3
325.10852	3.7
431.21567	4.1
462.79913	3.2
471.34842	39.7
521.58569	3.5
580.16626	3.6
603.31165	5.2
603.37390	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	603.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
55.05649	1.0
57.03442	0.8
58.00594	1.1
59.01379	15.5
60.99313	1.0
61.98853	4.6
61.99109	1.2
68.99553	1.0
69.46441	0.9
71.01396	4.7
71.53423	1.1
72.99296	1.5
73.02946	1.4
82.95463	0.8
83.01381	1.9
85.02941	3.6
86.00101	1.4
89.02441	1.4
96.96004	1.4
96.96942	1.0
99.92573	1.5
101.02444	6.8
112.98584	1.1
115.92033	1.9
116.92792	1.4
117.03473	3.9
119.05033	2.3
131.03474	5.0
145.02950	10.3
148.28389	0.8
223.16391	0.8
254.17642	0.8
407.33209	2.4
421.25122	1.0
441.33881	5.2
471.34866	2.3
485.32687	2.2
555.03369	1.0
585.37964	6.1
603.38922	100.0
604.39050	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	603.263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01386	3.4
61.98824	5.7
68.91615	0.6
69.63521	3.7
71.01382	1.2
71.05027	1.5
72.99318	0.6
73.02944	7.4
78.95911	6.3
85.02943	0.7
89.02470	0.7
96.96010	2.7
96.96965	6.2
99.00877	3.5
99.92586	40.7
100.92587	1.9
100.93355	4.2
101.02464	1.2
113.02390	0.6
115.00368	0.7
115.92077	80.1
116.92107	2.7
116.92858	20.3
117.01938	2.7
131.03459	0.7
132.92328	0.7
151.00369	0.6
158.07549	0.6
165.12874	0.8
169.01434	0.6
214.52042	0.6
227.12877	1.4
258.29120	0.6
302.89548	0.6
357.24124	0.7
366.76297	0.6
408.06479	0.6
437.29965	0.8
457.33563	0.8
505.18976	1.6
515.37445	3.6
523.25452	0.9
527.20532	0.7
541.25873	1.8
555.24982	0.8
559.36407	7.9
573.25549	1.0
585.25031	5.4
603.26312	100.0
603.35669	16.6
604.26715	9.4
604.35693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31535	0.7
59.01375	3.4
59.04494	0.6
61.98830	6.8
69.27972	4.7
69.28380	1.4
71.01388	1.4
71.05016	1.9
73.02936	4.8
78.95895	5.7
80.91670	0.7
87.51494	0.7
91.48266	0.8
93.86433	0.7
96.96002	3.2
96.96955	6.1
99.00864	2.8
99.92587	46.8
100.92666	1.4
100.93358	4.8
101.02441	1.2
109.06586	1.2
115.92076	80.7
116.92080	1.9
116.92854	22.5
117.01939	1.9
132.92303	0.8
161.02483	0.8
194.54811	0.7
227.12910	0.9
231.16161	0.7
289.40317	0.7
303.89249	0.7
441.33875	1.1
457.33160	0.9
485.32492	0.9
487.33621	0.8
515.37378	2.4
523.25391	1.6
537.23151	1.2
541.26208	1.5
559.36584	5.8
573.25031	1.9
585.25311	5.2
586.26453	0.9
603.26300	100.0
603.35638	14.3
604.26605	9.6
604.35339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86055	2.1
55.00453	2.2
59.01374	3.5
60.51034	2.2
60.99303	11.5
61.98824	3.1
68.99564	4.6
77.11036	1.9
87.00894	2.6
88.00388	7.5
88.04060	5.5
88.98267	4.2
88.98805	58.3
89.02441	100.0
112.98584	4.6
117.74896	2.2
145.02921	5.8
148.18419	2.3
152.79926	2.5
190.73064	2.8
277.21829	2.3
445.35168	2.4
603.37036	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	602.391
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
64.99958	0.8
71.38770	1.1
100.65488	0.8
121.00362	0.8
121.99853	1.0
171.10274	2.7
172.10582	1.0
186.95795	1.0
216.82791	1.1
245.85168	0.9
248.10408	0.9
257.38480	1.0
279.23331	1.4
280.23505	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	603.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24013	0.2
55.11671	0.2
56.92741	0.2
59.01374	1.1
61.98827	0.6
62.53813	0.3
65.55558	0.2
65.63167	0.2
69.03446	1.7
69.64708	1.4
71.01382	0.7
72.32516	0.2
73.02956	0.2
79.01892	0.7
81.03463	0.7
82.23353	0.3
83.01395	0.4
85.02940	0.4
89.84684	0.2
93.03455	16.5
94.03786	0.3
95.01386	0.8
97.02947	1.5
101.02494	0.5
101.49782	0.3
103.71458	0.2
107.01398	3.0
109.02959	0.5
113.02451	0.3
123.00888	1.9
123.04519	0.3
124.01680	0.8
125.02444	56.4
126.02760	1.0
133.02948	0.6
135.04469	0.5
137.02440	32.9
138.02818	0.8
139.00371	0.8
140.01176	0.5
145.02995	0.3
149.02385	0.4
151.00357	1.2
151.03947	0.5
161.02419	1.5
165.01979	0.3
167.07043	0.3
168.00641	0.7
169.01416	100.0
170.01761	1.8
177.01836	0.6
179.03554	0.4
189.01906	0.8
189.05627	0.3
190.02667	0.3
191.03471	0.4
193.01411	0.4
194.27205	0.3
211.02347	0.4
217.01375	0.8
219.03000	0.5
281.06677	0.4
287.22217	0.3
295.04538	0.3
313.05725	1.9
341.06543	1.4
373.25851	0.6
413.01010	0.3
433.07712	20.3
434.07806	1.1
441.17145	0.3
451.09506	2.8
603.09998	4.0
603.27246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.5
61.98831	1.5
69.25623	7.2
69.26045	2.3
71.01373	2.3
71.05033	1.1
75.00894	1.3
80.83386	1.0
85.02940	1.2
93.03461	4.4
96.96053	1.1
101.02459	1.0
109.02973	2.0
113.02422	1.4
117.03444	1.0
119.04990	4.8
121.02966	7.1
122.03754	14.7
123.00792	1.2
123.04521	2.3
125.02444	4.1
133.02974	5.6
135.02931	1.4
135.04520	3.4
136.01636	1.7
137.02458	4.2
139.03999	8.4
145.02979	3.9
149.02438	21.1
149.12524	1.0
150.03227	86.6
151.03949	2.1
161.02451	16.7
163.03999	4.4
164.01132	1.3
164.04787	5.5
165.01938	9.3
165.05566	100.0
166.06316	10.2
167.06999	1.2
169.01445	5.0
175.04004	1.4
177.01875	1.9
177.05638	1.5
179.03491	9.2
180.04285	8.4
181.05066	8.2
181.08630	4.5
182.05824	2.1
187.07658	2.3
189.01900	3.9
194.05972	1.8
195.06630	89.3
196.07320	6.3
197.08116	2.0
206.00011	1.1
210.05344	1.0
211.09785	6.4
215.06920	1.0
217.01398	3.3
225.07750	5.3
225.09622	1.0
231.06651	1.2
283.32620	1.1
313.05814	0.9
323.07666	1.6
329.10199	8.0
341.06528	6.1
343.11780	7.0
344.12607	5.9
359.15015	30.3
373.12912	2.1
407.16965	1.7
451.10168	8.4
465.06802	5.6
487.12555	8.6
541.14014	1.4
555.22357	5.1
603.23010	4.0
627.21222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18256	1.5
55.01888	1.4
59.01104	2.8
59.01384	34.9
60.18226	1.5
61.98818	1.9
69.50426	11.6
71.01382	28.0
72.99323	2.4
73.02933	1.9
76.94482	1.8
85.02947	5.9
87.00855	7.1
89.02448	32.3
93.03475	3.3
95.01363	1.9
96.96031	2.6
101.02437	16.2
111.00860	2.0
113.02457	12.7
116.92871	3.1
119.03497	16.4
121.02954	4.5
122.03757	14.5
125.02458	3.4
131.03514	4.6
132.02083	1.6
133.02901	2.4
135.03012	3.7
135.04442	2.2
136.01729	2.4
137.02483	2.0
142.77470	1.7
143.03484	3.9
145.03040	1.5
149.02434	24.9
150.03223	100.0
151.00356	2.1
161.02467	3.9
161.04543	5.0
164.04814	4.3
165.05560	89.5
166.05879	2.1
167.06712	1.6
177.01929	30.4
179.03387	1.9
179.04002	1.6
179.05615	17.5
180.04272	5.8
181.05096	1.9
182.98993	1.5
191.00121	1.7
191.05606	4.2
192.04277	18.2
193.04932	1.9
195.02951	4.9
195.06616	48.2
196.07039	2.6
205.04973	1.7
207.06549	8.1
225.07695	7.6
261.00497	1.6
285.04483	1.5
293.04688	3.2
295.06293	1.8
300.99722	2.7
315.08499	1.5
316.09467	2.9
321.04108	3.8
322.04669	2.0
331.11957	4.9
350.04312	9.6
351.05020	11.8
387.12921	18.3
391.13968	6.4
405.14404	1.9
513.10193	5.9
553.19250	42.8
554.19897	2.5
601.04938	7.6
601.21600	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	601.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.1
61.98827	5.5
62.91991	0.6
62.97909	0.5
67.01889	1.1
71.01385	4.5
71.47280	0.9
72.99312	0.8
73.72285	0.5
75.00858	0.7
77.27111	0.6
79.01875	1.9
85.02931	0.9
95.01388	2.5
97.02851	0.8
99.08137	0.8
101.02442	0.8
107.01393	9.1
111.00882	1.5
113.02430	2.0
121.02950	1.3
123.00886	21.6
125.01533	1.4
125.02456	29.3
129.09213	1.1
139.00381	6.2
139.03912	0.7
140.01166	1.9
141.01939	2.0
151.00374	15.2
153.01924	1.6
161.02412	0.8
165.01854	0.8
166.06340	2.9
168.00653	2.4
169.01419	52.5
179.03413	0.9
179.46834	0.6
181.01357	0.6
181.08719	2.9
183.02966	1.1
193.01413	1.5
211.02443	7.7
253.03549	2.0
271.22693	1.8
287.22284	7.8
301.23755	6.3
311.22238	2.7
313.05600	1.7
329.23218	0.9
361.15033	0.7
601.28662	100.0
602.29150	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	602.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15401	0.2
58.18695	0.2
61.98829	100.0
68.97767	0.3
69.48876	0.6
69.49291	1.1
93.03450	0.4
107.01410	0.3
123.00914	0.3
125.02448	4.7
127.35680	0.2
135.04564	0.4
137.02460	0.9
158.52534	0.2
165.01921	0.2
169.01408	5.6
191.05498	0.3
298.22162	0.2
451.09091	0.7
456.40784	0.3
491.92850	0.3
515.48798	0.3
603.09888	2.7
613.46649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38654	0.3
61.98832	100.0
62.68068	0.3
67.71269	0.3
69.70177	1.6
104.97984	0.3
125.02469	1.1
126.63985	0.3
135.03064	0.3
135.04536	0.3
169.01479	0.8
227.03419	0.4
316.00891	0.3
377.12189	0.4
491.19501	0.5
537.63403	0.4
539.21222	0.5
602.12354	0.5
603.10095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87361	1.3
61.98830	100.0
71.42873	2.3
91.29366	1.3
112.44370	1.3
125.22868	1.3
171.10234	3.2
196.11627	1.4
256.63281	1.8
330.65964	1.4
387.99673	1.3
419.75458	1.5
450.59015	1.6
581.95905	1.5
629.63635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40414	0.8
57.79146	0.8
59.01377	100.0
59.70086	0.7
61.98832	1.2
69.43918	1.7
69.44323	5.4
76.38028	0.7
77.25614	0.7
80.09405	0.8
98.19862	1.4
99.96734	0.8
101.82851	0.7
115.02500	7.1
117.00446	6.6
118.00458	0.8
132.98148	1.3
156.99937	1.1
157.03549	2.2
159.01483	70.5
160.01662	2.7
174.99222	17.8
176.98096	7.8
177.60323	0.8
180.70580	0.8
182.35478	0.9
185.29057	0.7
201.02541	24.2
217.00284	46.2
259.01401	1.8
274.99316	2.7
301.02652	51.1
302.02811	5.4
317.00394	33.8
317.03314	0.5
318.00711	1.9
332.98349	1.5
359.01483	18.0
374.99396	1.5
427.27734	1.1
459.01547	12.6
460.02066	0.9
498.99390	1.1
515.13995	0.8
541.00635	30.3
542.00696	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	601.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.6
59.01382	1.4
67.01881	0.9
69.47629	3.5
69.48032	2.0
71.01364	1.4
75.00841	1.0
81.03448	1.2
83.01376	1.5
84.72423	0.8
85.02942	5.8
85.39234	0.8
87.00854	4.3
93.03451	7.8
97.02912	1.1
109.02893	0.9
111.04477	2.6
113.69314	0.9
121.02917	0.8
125.02447	11.5
128.60733	0.8
129.01958	1.1
135.02985	3.4
137.02435	11.7
143.04987	2.7
155.05003	1.4
159.04486	3.7
161.02399	1.3
165.01895	2.3
167.03537	2.0
171.04488	6.9
173.02504	1.3
173.04645	4.2
173.05934	1.0
174.03183	3.0
175.03941	3.4
179.03485	1.6
183.04478	3.2
187.04036	7.1
188.04776	5.0
189.05614	8.3
191.05620	47.7
193.01225	0.8
197.02556	1.3
198.03206	3.1
199.04004	23.3
202.02719	1.2
203.03456	3.0
211.03999	2.2
214.02699	1.2
215.03488	9.3
216.04247	4.5
217.05067	13.1
220.79643	0.9
225.05482	1.5
225.07564	1.0
226.02699	1.0
227.03494	100.0
228.03842	2.9
229.01404	1.2
229.04936	1.6
232.46780	0.8
235.04013	0.8
237.05579	1.3
239.03482	5.8
242.02194	1.4
243.02933	6.3
245.04506	19.9
247.02550	1.9
250.06310	1.2
253.05035	1.3
255.06651	1.7
257.04492	2.7
261.03986	3.6
271.02460	21.4
277.05133	1.0
279.06567	1.8
281.04498	3.4
283.02332	1.1
289.03354	4.0
291.06479	1.0
295.06055	1.4
297.07413	1.2
299.05594	1.3
300.99808	1.4
311.09155	0.9
319.06183	1.3
321.07748	1.8
323.05563	1.9
337.07169	2.7
339.08688	2.3
347.05530	2.2
355.08414	1.2
365.06708	8.2
367.04321	1.1
381.06293	2.1
383.07733	10.1
391.04565	6.6
409.05597	25.0
410.05969	1.2
421.07675	1.1
427.06735	11.6
445.07819	4.4
463.08853	3.4
539.12140	1.0
567.28735	1.0
583.10736	1.5
601.11951	65.8
602.12103	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	601.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64733	2.4
54.96597	2.1
58.00587	4.6
58.28476	2.1
59.01382	65.0
60.26287	2.0
61.98797	2.3
71.01382	42.0
71.52052	2.1
72.01755	2.3
72.99323	3.2
73.02937	5.3
75.00855	2.6
82.99197	1.9
83.01369	3.8
85.02955	10.2
87.00883	12.4
89.02446	52.1
93.03462	8.9
95.01395	4.7
96.96011	31.2
99.00888	2.7
101.02449	32.3
113.02449	15.1
117.01875	3.0
119.03517	20.4
119.05033	2.7
121.02934	8.0
122.03762	15.1
123.00912	2.1
125.02460	4.7
131.03468	5.1
134.03784	5.1
135.04510	2.2
137.02397	2.4
143.03522	6.0
149.02434	37.4
149.04485	3.4
150.03220	100.0
151.04004	2.8
153.25693	2.3
161.02405	2.9
161.04510	6.8
162.03186	2.5
163.04021	3.2
164.04738	6.5
165.01901	2.1
165.05565	87.1
166.02676	2.2
169.01384	5.6
177.01915	52.0
179.05630	21.8
180.04277	6.7
181.05095	3.5
191.03998	2.1
191.05603	10.2
192.04256	22.3
193.05109	10.6
195.02960	6.2
195.06622	46.5
207.06602	8.9
210.05318	4.6
225.07651	7.6
231.47455	2.3
300.99939	2.8
316.09393	3.9
321.08548	3.0
331.11679	14.6
365.08716	3.0
387.13098	17.4
391.13898	20.9
439.16272	4.4
441.31561	2.1
449.12766	5.1
553.19238	84.5
554.19470	5.5
565.17828	3.2
601.05298	4.6
601.21582	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13349	0.4
55.01863	0.4
57.03466	0.4
58.64694	0.3
59.01382	1.9
61.98830	100.0
63.99252	0.4
69.03458	0.5
69.19881	0.5
69.20287	2.4
71.01383	1.7
73.02953	0.6
85.02939	0.9
87.00888	0.4
89.02460	0.4
93.03488	0.6
93.30866	0.4
95.01398	0.6
96.96014	0.6
101.02454	0.7
107.01391	2.0
108.02199	2.8
109.03019	1.8
113.02489	0.6
119.03398	0.3
123.00877	0.5
125.02444	6.2
126.02806	0.9
133.02998	0.5
135.04558	1.2
137.02446	0.8
139.00433	0.4
150.03249	0.7
151.00394	1.0
152.01149	3.0
153.01924	1.8
154.02238	0.3
160.01714	0.6
161.02420	1.7
162.02899	0.3
165.05663	0.6
169.01436	11.2
169.02855	0.6
170.01767	1.6
171.01900	0.9
171.10313	1.0
174.01726	0.4
175.04044	0.8
179.03470	0.8
180.04012	0.5
181.78958	0.3
183.02910	0.4
187.07639	0.9
191.05670	0.5
195.06651	0.4
198.29578	0.3
203.03662	0.5
215.07265	0.4
222.84242	0.3
227.03583	0.4
227.05663	0.5
227.13034	0.3
243.03108	0.3
255.02991	0.4
256.03391	0.4
284.03250	0.4
285.03983	1.5
286.04538	0.9
290.87375	0.3
299.02094	0.4
356.12408	0.4
404.14569	0.4
492.07785	0.4
551.09076	0.3
599.23676	1.0
600.11768	2.0
600.23877	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	599.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59067	1.0
59.01371	2.9
61.98547	1.2
61.98832	18.7
71.01371	2.1
71.01737	2.2
83.43261	1.1
85.02912	1.3
93.03436	5.3
96.96008	6.2
100.00311	1.1
107.01367	1.3
109.02954	2.2
111.00856	1.2
121.02925	7.1
122.02917	1.4
122.03729	14.2
123.00833	3.1
125.02436	4.4
133.02940	2.6
134.03709	3.0
135.04491	4.0
136.01642	3.7
137.02411	4.6
138.03214	1.8
139.03990	2.6
146.03604	1.5
149.02420	16.3
150.03221	91.4
151.00391	9.8
151.03899	3.6
152.50447	1.1
153.01909	4.0
153.05499	1.5
160.01666	2.0
161.02434	5.4
163.00385	5.4
164.01089	1.4
164.04813	5.4
165.01891	3.9
165.05562	100.0
166.02704	23.2
166.05858	2.1
169.01468	7.4
175.03882	2.3
177.01906	1.2
178.02687	12.8
179.03459	4.6
179.07152	2.4
180.04303	8.0
181.01407	4.1
181.05057	68.2
182.05309	2.6
183.06570	3.1
187.07669	2.5
193.01392	15.3
193.05057	12.3
194.05617	1.8
195.06613	68.4
196.03723	4.5
196.06917	1.4
207.02972	13.3
208.03763	22.3
211.06100	21.3
222.05309	11.1
223.06097	57.8
224.06299	2.7
229.04939	1.4
241.07144	20.3
242.07515	1.4
269.04541	1.3
284.03049	1.3
284.06900	3.4
285.04071	6.4
299.09216	4.3
300.09973	1.9
313.06024	1.2
314.11429	1.5
315.12064	1.3
343.11829	2.3
355.11658	1.2
358.09827	1.2
373.12921	13.6
377.12393	1.9
403.14017	9.9
407.13580	1.6
409.89954	1.0
419.13168	14.1
475.90271	1.3
599.10120	7.1
599.21375	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	599.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51826	7.9
59.01372	68.7
61.98827	100.0
70.67279	13.7
70.67624	10.8
71.01363	41.9
72.10171	7.3
75.00848	13.8
89.02441	51.5
95.01356	9.1
101.02435	20.8
113.02483	12.2
119.03475	24.5
119.04984	15.3
125.02471	18.3
133.02992	19.0
135.04500	13.2
136.59987	9.4
147.37755	7.8
150.03183	8.1
161.02426	56.8
162.03233	23.8
165.05482	10.4
177.05539	27.1
179.05592	20.4
194.82729	10.9
195.00525	8.0
195.06606	9.3
211.76054	9.2
218.01982	8.9
227.52147	9.1
229.54660	8.3
246.01576	11.0
247.02437	28.2
343.07056	9.0
431.62274	8.2
437.11234	9.8
489.14575	10.8
519.15308	10.6
537.16180	32.4
555.11023	15.4
599.10413	28.5
599.21783	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	599.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08072	1.0
59.01377	3.0
61.98830	24.1
69.82332	5.7
71.01366	1.6
75.00861	4.0
85.24331	1.2
93.03454	4.9
95.01399	1.6
96.96009	1.2
98.19936	1.4
101.02434	1.1
107.01375	2.0
109.02991	1.7
111.00901	1.3
113.02483	1.4
116.53329	1.4
121.02956	5.6
122.03737	13.9
123.00871	4.4
123.04514	1.6
124.01675	1.4
125.02412	4.3
133.02950	2.9
134.03836	2.2
135.00829	1.1
135.04523	2.7
136.01685	5.6
137.02444	3.8
138.03212	3.1
139.00372	2.1
139.03944	3.2
145.02945	1.7
146.03728	1.6
147.04538	1.9
149.02425	20.0
149.06096	2.4
150.03218	94.2
151.00345	18.7
151.03973	7.6
153.01920	2.6
153.05576	3.8
160.01613	3.1
161.02390	4.2
162.03082	1.3
163.00331	9.0
163.03979	1.9
164.01114	1.3
164.04749	8.0
165.01875	4.2
165.05559	100.0
166.01300	2.0
166.02702	34.0
166.05942	3.2
169.01410	4.9
174.01711	1.1
175.04005	3.3
177.05635	1.1
178.02730	13.0
179.03528	6.0
179.07089	3.2
180.04280	7.9
181.01593	7.4
181.05049	93.2
183.06604	4.1
187.07678	2.0
192.00629	1.7
193.01425	18.3
193.05037	17.9
195.06615	74.6
196.03758	8.4
196.06984	1.5
203.03508	1.2
205.04942	1.1
207.02942	19.5
208.03740	28.7
208.14696	1.2
209.04340	1.5
209.08148	2.6
211.04202	2.0
211.06114	25.8
222.05307	16.2
223.06094	78.4
224.06375	2.0
227.03542	1.2
237.07666	1.7
239.05603	1.4
241.07153	22.2
253.04741	1.1
255.02898	1.3
257.04892	1.0
257.08124	1.8
269.04480	1.4
273.07660	1.1
282.05200	1.3
284.06888	3.2
285.04050	7.4
285.07315	1.3
297.07599	1.6
299.09149	5.4
300.10223	1.3
313.10687	1.6
314.11533	2.1
315.08661	1.3
315.12372	1.7
328.09506	3.2
329.10278	4.5
343.08011	1.9
343.11810	5.9
359.11221	11.3
371.11392	5.4
373.12839	15.7
377.12393	7.7
389.12000	1.2
403.13953	25.8
404.14380	1.4
407.13519	2.0
419.13269	18.4
437.14459	4.3
551.18829	1.6
563.24768	2.4
599.09460	6.4
599.22522	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	599.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13414	0.9
51.29887	0.7
59.01396	0.8
61.00035	0.8
62.93721	0.8
69.99710	3.0
71.01382	4.2
73.02937	1.0
77.54962	0.9
80.38908	0.7
81.03480	1.0
81.34561	0.8
83.01382	1.5
97.02962	0.8
107.01389	10.7
109.02897	1.3
123.00885	5.0
125.02447	55.6
136.98845	0.9
139.00415	1.5
140.01222	1.3
151.00365	5.6
163.00388	1.6
168.00644	1.6
169.01424	55.3
170.01788	1.5
187.04012	1.5
211.04074	1.9
227.03488	13.5
229.05077	3.1
241.03520	1.2
248.47667	1.1
255.02992	26.2
256.03564	2.1
257.04501	3.0
271.02261	1.9
284.03275	19.5
285.04019	16.5
300.02722	1.2
313.05652	15.2
447.09302	4.0
599.10419	100.0
600.10883	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	599.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78757	0.2
59.01342	0.2
60.62235	0.2
63.02390	1.2
65.00323	0.9
71.01369	0.4
83.01391	1.3
85.02959	0.3
91.01891	0.3
93.03470	1.3
95.01381	0.3
98.20589	0.4
107.01389	3.7
109.02959	0.5
111.00884	0.4
113.02442	0.3
117.03471	0.4
118.10668	0.3
123.00898	1.0
123.04581	0.2
125.02451	1.6
135.00900	0.8
136.98834	0.2
139.00328	0.6
140.01198	0.4
143.05038	1.0
145.02936	0.5
145.25050	0.2
151.00363	8.1
155.05063	0.2
157.06599	0.8
158.03723	0.2
159.04512	0.9
163.00371	1.6
164.01131	0.8
165.01942	0.4
167.04994	0.4
168.00618	0.6
169.01414	2.9
169.06593	0.7
171.04556	0.5
184.05321	0.2
185.06075	1.9
187.03998	2.0
189.05534	0.6
195.04445	0.4
195.33708	0.2
196.05489	0.3
197.06050	0.6
198.03139	0.2
199.03979	0.6
201.05530	0.6
211.04008	1.2
213.05502	1.8
215.03477	0.3
227.03520	1.9
229.05035	8.7
230.05341	0.3
239.03532	0.8
240.04190	0.6
241.05141	1.3
243.02992	0.2
255.03008	0.8
256.03806	0.4
257.01840	0.5
257.04547	7.3
267.02875	0.5
284.03333	0.5
285.04028	100.0
286.04376	4.4
313.05627	12.6
314.06021	0.3
447.09470	0.5
583.68158	0.2
599.10278	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	599.1044
Annotation	Kaempferol 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
59.01366	1.4
61.98832	6.8
63.02394	0.9
65.00333	1.4
67.01872	0.8
68.99813	0.8
69.03443	0.9
69.33609	2.7
69.34034	3.1
71.01370	2.1
72.99305	1.1
73.02909	0.7
79.01852	1.2
83.01384	2.2
85.02931	2.0
87.06252	0.7
88.89104	0.6
93.03463	1.2
95.01359	1.6
97.02936	1.6
101.02424	2.9
107.01392	7.3
109.02955	1.5
111.00878	3.1
113.02471	1.7
114.46548	0.8
123.00880	7.1
124.01646	2.2
125.02444	47.5
127.00362	1.5
135.04524	0.8
136.98788	2.3
137.02437	1.1
139.00377	5.6
139.04010	1.4
140.01141	5.9
151.00380	12.8
151.03928	1.4
161.02469	1.1
163.00366	1.7
163.03979	1.0
168.00681	8.4
169.01431	63.8
170.01691	1.7
177.01912	1.2
178.99863	2.4
179.03481	2.5
187.03900	0.9
193.04948	0.8
197.77298	0.9
211.04131	0.8
227.03493	12.2
229.04924	2.5
240.04314	0.8
255.02969	21.0
256.03555	2.7
256.86459	0.7
257.04547	2.5
271.02484	0.9
283.02466	0.8
284.03268	29.9
285.04016	25.2
286.47968	0.8
297.05899	0.9
301.03482	5.4
313.05637	31.5
314.05963	1.3
447.09296	6.4
599.10400	100.0
600.10925	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	599.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25079	0.7
59.01380	4.3
61.98832	100.0
64.80952	0.6
67.01865	0.7
69.36359	4.8
69.36772	1.8
71.01394	2.5
75.00883	1.5
83.01389	0.7
83.45196	0.8
83.73180	0.8
85.02952	1.4
93.03455	1.8
95.01395	2.9
96.96021	2.9
107.01417	2.6
108.02225	1.3
109.02962	2.3
111.00889	1.9
113.02457	0.9
117.03526	0.8
119.05016	1.4
121.02955	11.6
122.03773	5.4
122.04504	0.8
123.00916	4.0
123.04583	0.9
124.01660	1.4
125.02441	11.6
133.02951	2.5
134.03738	0.9
135.02980	0.8
135.04568	2.6
136.01677	4.3
136.98862	1.1
137.02475	2.0
138.03241	1.2
139.00389	9.4
139.04025	1.2
145.02997	2.6
146.03786	1.2
147.04504	3.7
149.02448	7.7
150.03227	37.4
151.00343	4.4
151.04002	6.7
153.01967	1.4
153.05669	0.8
154.02771	0.8
159.04527	1.2
161.02434	3.8
162.03183	1.0
162.35793	0.7
163.04016	2.3
164.04808	1.2
165.04167	1.6
165.05573	34.2
166.02698	1.1
166.05936	1.0
168.00703	1.3
169.01428	15.0
175.04041	2.1
176.04654	0.8
177.01938	1.7
177.05577	1.4
178.02715	1.6
178.99945	0.9
179.03529	2.3
180.04288	2.2
181.05080	4.7
187.04005	1.6
188.04828	3.3
189.05605	1.4
191.03569	1.6
193.05170	3.4
193.42621	0.9
195.06615	18.6
203.03494	1.1
203.07053	0.8
204.04305	0.9
207.82762	0.9
221.08231	1.0
227.03584	1.9
229.05157	2.2
235.05995	0.8
249.07669	1.0
255.02959	3.7
257.04437	1.1
257.08124	1.1
269.08960	0.9
271.02573	0.8
273.07602	0.8
284.03299	4.1
285.04047	15.2
285.07257	0.8
300.02747	1.1
301.03595	2.9
313.06042	3.4
325.07278	1.4
327.08969	0.8
328.09485	10.5
328.12994	0.9
340.09735	1.4
343.07761	1.9
343.11829	24.6
343.15887	1.3
344.12283	0.9
355.12088	3.3
373.09201	2.0
373.13135	5.8
388.11658	4.9
403.13950	62.7
404.14505	2.6
417.08414	2.5
477.10004	1.2
491.17352	1.1
510.07962	0.8
521.18536	0.9
551.19714	1.2
599.10382	16.2
599.21350	1.5
599.29907	0.9
600.11365	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	598.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
61.98831	100.0
62.35028	0.2
62.98544	0.2
69.46335	0.4
69.46736	1.0
71.01386	0.8
73.02970	0.3
75.00885	0.3
82.11282	0.2
83.01381	0.3
85.02985	0.3
89.02463	0.5
98.19898	0.4
101.02465	0.5
107.01402	0.3
109.03004	0.3
113.02489	0.2
121.02939	0.7
123.00887	0.3
125.02446	1.9
126.02846	0.3
133.02930	0.2
135.03017	0.5
135.04547	0.3
136.01685	0.3
137.02428	0.5
138.69986	0.2
139.00371	0.6
147.08189	0.4
149.02463	0.5
150.03177	1.4
151.00400	0.7
151.04018	0.3
153.01888	0.3
161.02461	0.9
163.04039	0.7
164.04485	0.3
165.02003	0.3
165.05586	1.6
169.01434	2.0
175.04074	0.4
177.01956	0.3
179.03461	0.4
181.05170	0.4
187.07654	0.3
195.06619	0.9
197.95544	0.3
227.03568	0.5
231.06450	0.2
255.03018	0.7
256.03632	0.2
257.08307	0.3
271.02631	0.5
283.02472	0.3
284.03308	0.7
285.04086	1.2
297.06119	0.3
300.02783	0.3
301.03470	2.0
313.05759	0.4
328.09592	0.5
343.11862	1.0
373.08994	0.3
403.14011	2.6
450.27972	0.4
479.22964	0.4
480.23151	1.9
554.18085	0.3
598.09998	0.5
598.25916	0.4
599.10455	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	598.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
59.59089	0.7
61.98827	100.0
63.38622	0.7
69.52133	5.0
71.05035	1.2
77.13667	0.7
93.43363	0.8
96.97019	0.8
102.43008	0.8
125.02455	2.1
125.03491	0.6
126.51415	0.7
134.16266	0.7
141.35327	0.7
144.18599	0.6
161.37605	0.7
165.12840	1.8
166.13162	1.0
169.01436	2.7
183.13901	2.3
184.14232	1.4
197.90279	0.8
207.14035	1.2
251.12926	1.0
253.14532	2.7
255.03061	0.9
284.03217	1.3
285.04074	2.9
473.32965	1.6
535.32727	34.3
536.33258	3.2
598.33185	5.1
599.10431	3.7
599.36200	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	599.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30054	0.4
59.01380	2.1
63.02407	0.8
65.00327	1.0
67.01897	0.9
68.99805	0.4
69.03452	1.0
71.01380	6.3
79.01900	1.2
81.03438	0.5
83.01389	1.7
85.02954	1.9
89.02461	0.8
93.03447	0.7
95.01389	1.5
96.96021	0.7
97.02924	0.7
101.02442	2.3
107.01391	10.5
108.02155	1.1
109.02934	0.6
111.00866	1.6
113.02448	1.8
114.38424	0.4
121.02908	0.5
123.00897	9.2
124.01651	1.2
125.02445	54.4
126.02798	0.9
135.00906	0.5
137.02458	0.8
139.00369	3.3
140.01205	1.8
141.01941	0.6
143.05072	0.6
145.02997	0.5
147.04446	0.5
149.02484	0.4
149.99557	0.5
151.00362	11.3
151.12030	0.4
152.01157	0.6
153.01907	0.8
163.00377	0.9
164.01108	0.6
165.01923	0.8
167.03546	0.5
168.00630	2.9
169.01419	72.4
170.01752	1.2
171.04494	0.4
177.01921	0.5
179.03421	0.8
183.04543	0.4
185.06071	0.7
187.04039	0.6
199.03938	0.6
210.01564	0.4
211.02444	1.7
211.04161	0.7
213.05548	0.8
223.02425	0.5
227.03505	10.1
229.05003	2.8
239.03688	0.8
241.03468	4.5
253.03398	1.0
255.02965	17.3
256.03580	1.5
257.04520	1.7
271.04575	0.5
274.44724	0.4
284.03244	25.3
285.03989	20.0
286.04092	0.5
313.05627	20.0
314.05917	0.7
327.05112	0.4
331.06961	0.4
447.09305	4.5
540.62775	0.4
599.10425	100.0
600.10840	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	597.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.2
59.01379	17.9
61.98825	25.4
66.40438	0.7
69.03452	3.2
69.81211	4.1
71.01384	13.3
71.05019	1.9
72.99306	1.4
73.02942	2.5
75.00850	1.2
80.34193	0.8
80.70164	0.9
81.45535	0.8
83.01397	1.0
83.05015	2.0
85.02951	2.9
88.98804	1.5
89.02435	5.4
93.03453	1.0
95.01373	2.0
96.96008	0.9
97.06583	1.5
101.02442	5.1
111.08144	13.8
112.14412	0.8
113.02427	4.9
119.03481	2.1
125.02444	1.8
129.53636	0.8
137.02434	1.3
139.00385	0.9
140.06818	0.8
144.75685	0.8
145.03008	1.3
145.46129	0.9
153.09201	1.2
159.54222	0.8
161.02446	0.8
165.12837	100.0
166.13199	4.0
181.12344	2.7
183.13898	37.0
184.14175	1.1
189.12775	4.1
191.10788	3.2
197.15466	7.6
207.13892	1.7
209.11803	8.4
225.14960	1.3
227.12863	10.7
387.59677	0.8
413.16818	1.1
434.02591	1.1
435.03616	0.9
503.33856	3.3
503.57126	0.9
549.08325	0.8
561.27460	1.0
597.32825	90.8
598.33405	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	597.356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46879	79.0
66.80897	78.3
81.19469	85.2
127.98720	85.1
206.39879	96.3
247.95659	100.0
376.87949	99.2
492.84326	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	597.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51183	83.4
69.76295	95.0
70.78345	77.6
73.71474	100.0
76.66013	74.8
87.80817	74.2
103.47930	78.7
111.49345	74.2
115.76920	87.0
125.48769	92.4
197.17735	87.2
229.51994	86.3
242.91000	77.0
248.84399	75.2
306.80710	88.6
381.71640	87.7
425.68005	82.9
447.60480	82.7
534.78857	88.3
626.49792	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98830	100.0
71.01376	0.7
93.03466	1.2
96.95991	1.0
98.19864	1.4
110.49963	0.6
111.97170	0.6
117.03448	0.7
132.02184	1.0
133.02953	13.7
133.03911	1.0
135.04524	4.6
137.02461	2.3
139.04071	0.7
141.95026	0.7
149.02521	0.7
161.02441	57.2
161.54935	0.7
162.02814	1.7
165.05598	0.7
169.01491	0.8
179.03603	3.1
191.00963	0.7
221.04550	0.7
255.02972	0.7
283.29593	0.7
285.04120	0.7
296.48267	0.7
300.26996	0.6
382.09119	0.8
454.37924	0.8
488.10550	1.0
532.07001	0.8
535.25446	74.4
536.25702	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	598.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36576	0.4
59.01374	1.9
61.98829	100.0
71.01386	1.8
71.53358	0.7
71.53715	0.5
73.02947	0.6
74.05237	0.5
81.03457	0.7
81.41742	0.5
83.01391	0.5
85.02941	0.6
87.57031	0.5
93.03442	0.8
101.02442	1.4
107.01386	2.0
109.02972	3.0
109.03597	0.4
117.03454	1.2
123.00856	0.6
123.04501	1.9
125.02446	6.3
126.02795	1.0
132.02174	0.7
133.02956	13.2
134.03755	0.5
135.04530	5.2
136.04887	0.5
137.02444	0.7
150.03191	0.5
152.00990	0.6
153.01953	1.6
160.01643	1.0
161.02437	61.7
162.02798	1.9
167.03493	3.2
168.03841	0.9
169.01428	8.7
170.01730	2.2
175.03958	0.6
177.05568	0.5
179.03484	3.3
203.03348	0.9
255.03040	0.7
257.08160	0.6
270.65439	0.5
273.07675	1.8
274.08002	1.9
283.02499	0.6
284.03116	0.6
285.03967	1.1
323.07730	0.8
324.08075	1.2
455.19727	0.5
488.10089	0.5
535.25452	59.0
536.25653	4.6
598.15015	1.4
599.10254	1.7
599.23267	2.1
622.09100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25489	1.5
50.92573	1.7
55.01873	5.8
57.03442	3.2
59.01380	83.0
59.32622	1.7
61.98821	5.1
66.12762	1.4
69.41077	1.9
71.01382	24.0
71.01736	2.8
71.52212	1.7
71.52602	1.7
72.99307	3.2
75.00879	13.2
77.52976	1.6
83.21030	1.6
85.02944	9.7
87.00877	2.8
88.00613	1.5
88.98785	2.3
89.02450	17.2
93.65676	1.8
95.01406	2.2
97.17196	1.5
99.04527	9.2
101.02432	8.6
104.14869	1.5
105.94741	1.5
106.10056	1.5
109.02984	3.6
111.00844	1.8
111.86817	1.6
113.02460	5.9
119.03520	7.1
121.02900	2.2
123.04472	2.8
125.02461	5.0
129.01953	5.8
133.02957	1.9
135.03003	4.0
135.04568	1.7
137.02417	1.9
143.88454	1.7
145.03006	1.9
147.02994	3.4
149.02438	2.1
150.03210	3.0
151.03979	2.1
161.02473	2.5
163.04068	1.7
165.01953	1.8
165.04062	10.3
165.05551	3.9
165.12799	3.8
167.92442	1.9
169.01382	3.2
177.01929	6.5
177.04015	5.4
179.05667	2.0
183.04515	2.2
189.01886	3.7
191.03372	1.8
191.05597	2.1
193.05099	2.2
196.30370	1.8
201.05600	2.6
203.03552	2.0
207.13889	13.2
209.11815	31.7
211.04047	2.2
217.01506	3.5
220.71802	1.6
223.06154	4.2
225.14886	15.5
251.12924	6.6
269.13937	58.6
269.16870	3.5
270.14426	3.1
271.06046	3.2
273.04041	4.3
281.04306	2.7
283.06390	3.9
297.07544	2.7
341.06586	15.9
376.18478	1.6
417.17532	4.8
419.14423	1.9
435.10764	13.2
445.13547	4.5
449.20251	87.8
450.20535	6.0
479.24265	2.1
564.87927	1.7
579.22894	1.8
597.08990	4.4
597.24084	100.0
598.24500	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	597.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.62362	0.7
57.03452	6.1
59.01112	0.9
59.01383	13.1
61.98829	21.1
63.48367	0.7
64.78815	0.7
69.03449	3.0
70.85572	1.2
70.85906	0.8
71.01379	10.2
71.05018	1.5
72.99276	0.8
73.02937	2.9
75.00840	0.9
77.66204	0.6
81.03455	0.9
83.01386	1.4
83.05009	2.3
85.02937	4.5
88.98779	1.2
89.02441	3.1
93.03447	1.4
95.01376	1.4
95.04982	1.0
96.95964	1.4
97.06595	1.2
99.00887	1.2
101.02450	4.6
102.58091	0.6
102.92793	0.6
109.06535	0.7
111.08163	12.4
113.02468	3.4
119.03530	1.2
123.00898	0.7
123.08160	8.4
125.02452	3.0
135.04507	0.9
137.02449	2.7
137.09723	1.9
142.01395	0.6
143.86800	0.7
145.02940	1.0
147.75897	0.9
150.03230	1.2
161.02501	1.5
161.04549	2.0
163.11272	8.8
165.01924	1.4
165.05603	1.7
165.12840	100.0
166.13199	2.5
169.01506	1.1
173.09755	1.2
177.01910	1.3
181.12361	2.8
183.13890	60.5
184.14311	1.0
189.12856	8.5
191.10780	3.0
197.15480	2.4
207.10220	0.8
207.13911	7.1
209.11827	9.2
225.15022	1.2
227.12883	11.7
278.05707	0.7
326.23471	0.6
387.16516	1.4
392.09445	0.7
406.17227	0.7
417.08383	0.6
433.08392	1.0
435.03296	0.8
452.80209	0.6
534.24982	1.3
597.08960	2.0
597.33026	95.5
598.33307	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	597.328
Annotation	Cyl-2
Peak:m/z	Relative Intensity
53.48437	0.7
57.03446	7.0
59.01378	15.4
61.98826	24.6
68.19874	0.9
69.03445	3.1
70.81804	2.2
71.01380	12.4
71.05019	1.4
73.02943	3.3
75.00864	1.8
75.11428	0.8
80.29044	0.8
81.03453	0.9
83.01406	0.9
83.05028	1.8
85.02955	4.3
88.98771	1.3
89.02443	6.2
95.01378	1.1
96.96030	0.9
97.06590	1.3
101.02435	6.0
111.08152	12.3
113.02459	2.9
119.03484	2.4
133.13664	0.8
145.02924	2.3
161.02402	0.9
161.04562	1.8
163.11270	1.0
165.12836	92.0
166.13087	1.7
169.01526	0.9
181.12358	1.3
183.13885	45.9
184.14200	2.1
186.54578	0.8
189.12852	4.4
191.10793	2.0
197.15448	9.6
207.14009	1.6
209.11826	8.1
225.14958	2.0
227.12830	11.1
228.13272	0.8
503.33490	3.9
561.27008	1.4
579.31818	1.3
597.07947	2.3
597.32867	100.0
598.33173	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	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92904	1.4
57.14475	1.5
59.01377	8.2
61.74980	1.6
64.12184	1.7
71.01382	12.1
71.52559	3.2
72.99319	2.1
73.02956	6.1
73.07346	1.6
73.75634	1.6
75.00867	6.2
83.01385	3.5
85.02953	4.5
87.00876	30.0
89.02447	4.6
93.03476	3.7
96.96011	9.1
97.02916	2.1
99.00900	4.6
100.01668	2.8
101.02454	6.1
109.02946	2.9
111.00890	16.7
112.98837	5.3
113.02465	3.1
121.02959	3.7
122.03771	10.7
123.00892	5.7
123.04517	1.8
125.02384	2.0
129.01913	4.3
133.02977	3.3
134.03705	2.0
135.03000	7.8
135.04570	3.8
137.02478	3.1
142.99850	3.1
149.02437	28.3
150.03217	96.0
151.00366	2.7
151.04044	9.0
152.01219	2.1
153.01849	2.3
153.05650	2.4
161.02489	9.0
162.03247	1.9
163.04057	5.2
164.04758	10.4
165.05562	100.0
166.02733	4.3
166.05945	1.6
169.01534	2.4
173.00937	8.0
174.01698	3.2
175.03981	2.1
175.07591	1.8
176.04729	3.9
177.01923	2.7
177.04050	7.5
179.03479	6.0
179.07170	6.6
180.04257	8.8
181.05054	7.6
183.04535	4.6
189.01848	2.4
189.05585	2.0
190.02724	2.5
191.03513	7.9
191.05524	3.4
193.05064	3.8
194.05832	6.6
195.06601	38.2
201.05550	3.6
203.03560	4.7
205.05006	4.0
206.05835	2.8
209.08177	7.3
211.04051	5.9
215.03625	1.7
219.03067	2.1
221.08255	7.0
227.03409	3.6
234.05377	2.4
247.02438	3.0
247.06075	2.1
249.07747	4.0
261.04059	3.4
262.04803	5.4
263.05432	2.4
264.06281	4.4
265.07159	6.6
273.03992	6.7
276.06366	4.0
277.07150	13.6
291.08517	2.6
300.99850	2.9
301.02902	2.2
307.44656	1.8
317.02853	2.3
337.09302	36.5
369.13477	8.6
413.12552	4.5
435.05212	3.0
443.13474	2.3
461.14523	30.2
473.14520	3.8
485.14273	2.7
521.16754	2.8
531.14551	2.1
533.16724	7.9
579.17114	16.8
597.18353	96.7
598.18774	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	597.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.9
57.03426	1.8
58.00573	1.5
59.01378	66.6
60.99320	1.1
61.98830	1.8
69.30460	9.2
71.01379	16.7
71.92825	1.1
72.99301	3.2
75.00864	10.7
83.01369	1.8
85.02946	7.5
87.00862	1.5
88.98804	3.4
89.02445	13.4
93.03426	1.1
97.06602	1.0
99.00932	1.2
99.04495	8.5
101.02442	9.7
109.07990	1.2
113.02457	4.9
113.12865	1.0
119.03492	3.2
121.03002	1.2
125.02406	1.4
129.01923	3.2
135.02940	1.6
145.02847	1.6
147.03011	4.5
149.02432	2.1
161.02417	1.8
163.03871	1.3
165.01967	1.2
165.04016	8.1
165.05406	2.3
165.12836	3.8
169.01375	1.2
176.04721	1.4
177.01929	2.9
177.04063	2.9
179.05574	1.4
189.01923	3.1
191.03403	1.2
194.47276	1.1
207.13887	9.1
208.76901	1.0
209.11810	25.4
217.01422	2.0
225.14932	10.7
251.12822	5.4
269.13931	49.2
270.14240	1.1
273.04034	1.5
283.06006	1.5
287.15082	1.4
289.94086	1.4
300.02734	1.4
323.84085	1.1
324.55713	1.3
341.06628	10.6
417.17480	2.1
435.10773	12.5
445.13794	1.9
449.20267	64.6
450.20636	2.3
579.23285	2.4
597.23956	100.0
598.24225	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	597.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.9
57.03426	1.8
58.00573	1.5
59.01378	66.6
60.99320	1.1
61.98830	1.8
69.30460	9.2
71.01379	16.7
71.92825	1.1
72.99301	3.2
75.00864	10.7
83.01369	1.8
85.02946	7.5
87.00862	1.5
88.98804	3.4
89.02445	13.4
93.03426	1.1
97.06602	1.0
99.00932	1.2
99.04495	8.5
101.02442	9.7
109.07990	1.2
113.02457	4.9
113.12865	1.0
119.03492	3.2
121.03002	1.2
125.02406	1.4
129.01923	3.2
135.02940	1.6
145.02847	1.6
147.03011	4.5
149.02432	2.1
161.02417	1.8
163.03871	1.3
165.01967	1.2
165.04016	8.1
165.05406	2.3
165.12836	3.8
169.01375	1.2
176.04721	1.4
177.01929	2.9
177.04063	2.9
179.05574	1.4
189.01923	3.1
191.03403	1.2
194.47276	1.1
207.13887	9.1
208.76901	1.0
209.11810	25.4
217.01422	2.0
225.14932	10.7
251.12822	5.4
269.13931	49.2
270.14240	1.1
273.04034	1.5
283.06006	1.5
287.15082	1.4
289.94086	1.4
300.02734	1.4
323.84085	1.1
324.55713	1.3
341.06628	10.6
417.17480	2.1
435.10773	12.5
445.13794	1.9
449.20267	64.6
450.20636	2.3
579.23285	2.4
597.23956	100.0
598.24225	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	597.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
61.98827	6.1
67.01883	0.5
69.03445	1.0
69.23646	1.6
69.24054	0.5
79.01892	0.5
81.03452	0.9
95.01376	0.5
97.02929	1.1
107.01389	17.6
109.02926	0.4
113.81474	0.3
119.26888	0.3
121.02963	1.2
123.00930	1.5
124.01627	0.5
125.02444	62.1
126.02756	0.8
127.68417	0.3
133.02960	3.0
134.03719	1.0
135.04523	13.9
136.04820	0.5
139.00424	0.5
147.04547	0.3
149.06064	1.0
151.00362	0.9
152.00575	0.4
161.02432	9.3
162.02814	0.5
169.01418	100.0
170.01791	1.7
175.04013	1.8
177.05603	1.6
179.03477	8.9
203.03490	8.5
221.04523	0.7
287.05734	0.4
288.06177	0.2
417.08145	1.0
427.10278	0.9
435.08948	0.4
445.11349	2.7
487.10068	0.6
597.12500	15.2
598.12933	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	597.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76140	0.7
57.03439	1.1
59.01371	4.8
61.98825	7.6
65.00322	0.9
67.01889	0.8
68.99796	0.7
69.03458	3.4
69.36396	3.5
69.36805	1.2
71.01380	6.6
72.99300	1.3
73.02943	1.1
75.00876	6.1
79.01882	1.8
81.03432	1.1
83.01377	1.8
85.02934	4.0
85.14850	0.6
87.00867	3.2
88.74902	0.6
88.98804	0.8
89.02441	1.4
93.03452	16.6
95.01389	3.1
96.95973	0.6
97.02940	2.8
98.19926	1.5
99.00869	1.5
101.02451	3.2
107.01395	5.4
108.02177	1.4
109.02943	2.1
109.35487	0.6
111.00887	2.5
113.02434	3.7
115.24254	0.6
117.03470	5.8
119.05034	18.3
121.02924	1.4
123.00890	9.0
123.04465	0.9
124.01687	1.0
125.02449	69.5
126.02792	1.2
129.01941	4.4
133.02983	0.9
133.06592	1.0
135.03000	0.6
135.04494	1.8
136.01640	2.2
136.98848	1.1
137.02441	32.0
138.02699	0.9
139.00343	3.4
140.01155	2.1
141.01933	2.3
145.02948	20.6
149.02437	1.3
149.06049	0.7
151.00383	6.4
151.03964	1.2
152.01019	0.6
153.01947	3.5
159.03093	1.2
159.04504	2.4
161.02434	1.9
161.06071	1.9
163.00378	0.9
163.04030	14.3
165.01923	1.3
165.12936	1.4
166.99802	3.0
167.03493	2.9
168.00615	4.8
169.01418	100.0
170.01753	2.0
177.04037	4.4
177.05540	1.2
179.03462	4.6
180.56424	0.7
183.02968	1.3
183.13890	5.1
187.04028	5.6
189.05560	0.8
190.02736	0.6
191.03476	0.9
193.01379	2.9
193.05099	0.7
195.05132	3.4
199.03868	0.7
205.04980	0.7
207.02914	0.7
209.11960	1.2
211.02415	7.7
211.04050	1.4
213.05464	1.1
221.04735	0.6
223.02388	0.7
227.03526	13.3
227.12915	2.6
228.03825	0.7
229.05028	2.8
233.04477	0.8
239.05576	1.5
255.02994	23.9
256.03687	3.5
257.04523	2.6
263.05753	1.0
281.06696	2.5
283.02451	1.1
284.03244	25.0
285.04022	28.6
286.04352	1.0
295.04605	3.5
297.06165	1.5
298.04733	0.9
299.05585	1.4
300.02734	0.7
300.99954	0.8
301.03372	0.8
311.07803	1.1
313.05746	1.6
387.16522	2.8
427.10098	3.4
433.07715	75.5
434.02731	1.2
434.07809	4.3
435.03540	1.3
449.27567	1.1
529.19165	1.1
539.62915	0.7
565.21271	8.7
566.21826	0.7
580.02472	0.8
597.12604	54.1
597.24121	7.2
598.12860	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	597.1249
Annotation	Pterogynoside
Peak:m/z	Relative Intensity
57.03440	0.6
59.01373	2.7
59.84372	0.5
61.98829	5.9
62.52283	0.5
62.75602	0.6
63.48409	0.6
67.01886	1.5
68.99833	0.9
69.03450	2.4
71.01368	3.3
72.93683	0.6
72.99303	0.7
73.02932	0.7
75.00872	2.6
79.01879	1.0
81.03461	1.3
83.01387	1.4
85.02968	2.2
87.00881	1.3
88.98785	0.7
89.02487	0.6
93.03457	18.5
93.97236	0.5
95.01380	2.8
97.02959	2.4
99.00882	0.8
101.02439	2.0
107.01376	5.3
108.02164	1.3
109.02956	0.6
109.38245	0.5
111.00893	1.8
113.02464	2.8
117.03469	6.6
119.05022	17.4
121.02939	1.1
123.00890	10.0
123.04542	0.9
124.01677	1.9
125.02444	65.0
126.02827	1.2
127.00379	1.1
129.01970	0.9
131.05003	1.1
133.02933	0.9
133.06566	1.3
135.02968	0.7
135.04480	1.3
136.01680	2.3
136.98898	0.9
137.02446	30.6
138.03246	0.8
139.00378	3.6
139.04027	0.7
140.01164	2.3
141.01903	1.2
145.02946	20.6
147.04503	0.9
149.02493	1.1
151.00369	4.8
151.03979	1.5
153.01971	2.3
159.03140	0.5
159.04517	2.0
161.02417	2.8
161.06050	1.0
163.04013	13.9
165.01949	1.5
165.12802	0.6
166.99840	3.0
167.03503	1.6
167.63919	0.6
168.00641	3.7
169.01419	100.0
170.01765	1.4
177.04074	1.4
177.05527	1.1
179.03470	5.4
181.01353	0.8
183.03023	0.7
183.13815	1.4
187.04027	4.1
191.92107	0.6
193.01347	3.7
199.03917	0.6
209.04622	0.8
211.02460	9.1
227.03493	4.9
229.05075	1.2
239.05658	1.3
255.03001	10.1
255.06041	0.7
255.06522	0.6
256.03815	0.7
257.04520	1.9
263.05566	0.6
279.57913	0.6
281.06689	2.6
283.02585	0.8
284.03296	10.1
285.04037	10.6
294.04605	0.6
295.04575	3.3
301.03336	0.7
313.05750	0.8
409.61703	0.6
415.06451	1.4
427.10403	3.3
433.07724	74.7
434.07727	3.6
435.03650	0.7
445.11386	0.9
449.27966	0.6
451.08862	1.1
458.55002	0.7
553.16595	0.8
565.21320	2.1
597.12537	32.7
597.22833	1.5
597.27722	1.3
598.12878	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01373	2.7
59.84372	0.5
61.98829	5.9
62.52283	0.5
62.75602	0.6
63.48409	0.6
67.01886	1.5
68.99833	0.9
69.03450	2.4
71.01368	3.3
72.93683	0.6
72.99303	0.7
73.02932	0.7
75.00872	2.6
79.01879	1.0
81.03461	1.3
83.01387	1.4
85.02968	2.2
87.00881	1.3
88.98785	0.7
89.02487	0.6
93.03457	18.5
93.97236	0.5
95.01380	2.8
97.02959	2.4
99.00882	0.8
101.02439	2.0
107.01376	5.3
108.02164	1.3
109.02956	0.6
109.38245	0.5
111.00893	1.8
113.02464	2.8
117.03469	6.6
119.05022	17.4
121.02939	1.1
123.00890	10.0
123.04542	0.9
124.01677	1.9
125.02444	65.0
126.02827	1.2
127.00379	1.1
129.01970	0.9
131.05003	1.1
133.02933	0.9
133.06566	1.3
135.02968	0.7
135.04480	1.3
136.01680	2.3
136.98898	0.9
137.02446	30.6
138.03246	0.8
139.00378	3.6
139.04027	0.7
140.01164	2.3
141.01903	1.2
145.02946	20.6
147.04503	0.9
149.02493	1.1
151.00369	4.8
151.03979	1.5
153.01971	2.3
159.03140	0.5
159.04517	2.0
161.02417	2.8
161.06050	1.0
163.04013	13.9
165.01949	1.5
165.12802	0.6
166.99840	3.0
167.03503	1.6
167.63919	0.6
168.00641	3.7
169.01419	100.0
170.01765	1.4
177.04074	1.4
177.05527	1.1
179.03470	5.4
181.01353	0.8
183.03023	0.7
183.13815	1.4
187.04027	4.1
191.92107	0.6
193.01347	3.7
199.03917	0.6
209.04622	0.8
211.02460	9.1
227.03493	4.9
229.05075	1.2
239.05658	1.3
255.03001	10.1
255.06041	0.7
255.06522	0.6
256.03815	0.7
257.04520	1.9
263.05566	0.6
279.57913	0.6
281.06689	2.6
283.02585	0.8
284.03296	10.1
285.04037	10.6
294.04605	0.6
295.04575	3.3
301.03336	0.7
313.05750	0.8
409.61703	0.6
415.06451	1.4
427.10403	3.3
433.07724	74.7
434.07727	3.6
435.03650	0.7
445.11386	0.9
449.27966	0.6
451.08862	1.1
458.55002	0.7
553.16595	0.8
565.21320	2.1
597.12537	32.7
597.22833	1.5
597.27722	1.3
598.12878	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	596.089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.6
61.98835	70.5
65.42553	11.1
69.30921	63.6
69.31341	49.3
72.99308	13.1
75.00864	29.3
85.02967	13.9
87.00882	14.4
88.98800	13.0
101.02459	18.3
111.47237	12.0
111.85351	11.8
117.31341	11.8
135.02979	17.6
146.94553	12.9
227.03575	31.3
229.05090	14.1
255.02937	49.4
281.78235	12.8
284.03256	86.1
285.04047	100.0
340.05136	14.7
345.23239	11.8
489.10269	92.8
597.38037	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	595.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
57.52224	0.7
59.01376	10.3
61.98829	21.2
63.65162	0.7
66.51939	0.6
69.23422	3.9
69.23846	2.4
71.01384	4.3
71.05022	0.9
72.27560	0.7
72.99313	1.1
73.02943	1.4
73.40864	0.6
75.00876	1.4
83.01384	1.3
83.05040	1.7
85.02947	2.0
88.98811	1.4
89.02443	3.0
93.03477	1.1
97.06568	1.0
101.02441	7.6
111.08186	4.0
113.02438	2.2
116.92865	0.8
125.02460	1.6
133.02942	1.4
137.02367	0.7
139.03951	0.7
161.02481	3.5
161.04517	2.3
165.12843	38.2
166.13219	0.8
167.14430	0.8
171.10284	1.2
183.13895	72.6
184.14255	2.1
191.10788	0.9
195.13786	0.9
197.15498	4.9
207.13889	5.9
209.11800	6.1
225.15030	3.7
227.12875	100.0
228.13300	3.3
237.15001	1.3
251.12843	16.9
255.03065	0.9
263.12891	1.1
269.13943	6.6
281.13882	1.4
293.13885	1.6
299.14951	9.0
320.25977	0.7
329.16058	27.7
330.16312	1.2
389.18155	25.9
473.32837	0.9
535.32831	1.9
595.13861	2.1
595.31549	5.8
621.16620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50585	0.9
57.03465	5.4
59.01385	12.5
61.98827	30.2
69.03461	2.7
70.97027	1.0
71.01380	10.3
71.05038	1.0
71.53237	1.5
72.99304	2.4
74.29739	1.1
74.95715	1.0
84.59039	1.0
84.60734	0.9
85.02948	3.4
85.25092	0.9
86.41131	0.9
88.98778	2.3
89.02460	3.7
101.02439	3.5
111.08167	10.7
113.02454	4.1
133.02930	1.6
136.05254	1.1
138.06815	1.7
145.02963	2.3
151.07634	2.2
152.08403	2.5
153.09207	10.6
160.01797	1.0
161.02458	1.4
161.04590	2.5
163.11180	1.6
165.12845	65.3
166.13254	1.8
171.10214	3.1
181.12317	1.9
183.13881	31.8
191.10774	1.9
197.15439	3.1
205.12335	5.7
209.11751	8.1
223.13411	2.0
227.12874	15.7
307.01263	1.1
329.16321	1.4
337.05179	1.1
370.29501	1.1
385.18625	4.2
389.18311	1.3
435.11444	1.1
595.31268	100.0
596.31647	7.7
596.42609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	30.9
60.99302	3.4
61.98827	75.4
65.03943	3.0
65.62977	1.7
71.01379	3.2
71.05019	19.9
71.52725	2.8
71.57931	1.7
72.99319	2.6
73.02943	3.0
75.00851	3.8
76.55100	1.8
78.95905	4.1
85.02953	3.0
87.00841	2.2
88.98803	13.4
89.02449	2.5
93.03452	7.1
93.68958	1.7
95.01423	1.7
96.96007	2.2
104.82299	1.6
107.04996	5.0
109.02934	7.0
113.02471	1.9
117.03430	2.7
119.05017	10.1
119.08642	2.8
123.00867	3.1
125.02448	17.2
133.02916	3.0
134.03723	3.5
135.03001	1.9
135.04517	2.9
137.02431	3.1
145.02925	11.0
148.05176	1.9
151.00421	3.3
151.04004	56.6
155.08656	1.8
160.01682	8.6
161.02414	12.7
163.04025	13.7
163.07608	3.0
165.12788	3.0
169.01414	21.3
175.03984	10.8
183.13805	3.7
191.05479	2.1
193.04915	2.5
209.11827	2.0
227.12880	2.7
243.03011	2.2
255.03198	2.7
257.08194	31.2
286.58002	2.2
307.20911	2.3
323.23770	2.5
325.21613	1.9
337.09244	13.7
373.25067	4.0
389.28421	7.3
407.29544	4.8
419.13657	3.8
421.27649	2.0
425.30499	3.3
431.09610	6.9
455.31467	5.7
473.32727	13.5
491.33395	7.6
535.32758	100.0
536.33356	6.3
595.15717	5.5
595.28876	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	595.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54021	0.7
57.03418	1.4
59.01387	4.1
61.98828	22.6
63.02379	1.2
64.66751	0.8
65.00314	5.3
71.01359	2.5
78.95958	0.8
79.18127	0.8
81.03444	1.5
83.01385	4.0
85.02959	1.6
88.98779	1.1
93.03452	4.2
101.02410	1.3
107.01387	8.6
113.02442	0.9
117.03424	2.2
119.05025	22.0
121.02894	0.8
123.49528	0.8
125.02439	9.3
132.02130	1.2
133.02956	22.5
134.03737	0.9
134.15836	0.8
135.02986	0.9
135.04512	16.3
137.02412	2.7
143.05016	19.8
145.02933	7.2
146.63710	0.7
149.02351	1.2
149.06053	1.4
151.00362	30.2
151.01585	1.6
161.02432	72.6
161.06070	2.8
162.02922	2.1
163.04002	1.2
165.01970	3.6
169.01445	1.3
175.00345	2.9
177.01941	4.6
177.05489	3.7
179.03491	13.7
185.06062	5.6
187.03961	2.1
187.91240	1.0
190.02672	4.0
203.03581	0.9
203.07069	1.3
205.05078	4.7
221.04544	4.1
227.03563	1.9
227.07117	19.7
229.04988	1.3
255.02965	2.2
271.06104	34.8
280.06012	0.9
284.03207	2.3
285.03937	6.5
286.04178	1.4
295.16895	0.8
296.57767	0.7
323.07672	34.2
324.08035	1.7
404.70099	0.7
433.11407	7.3
449.10675	2.0
511.12488	2.7
527.15405	1.7
551.15454	7.1
595.14478	100.0
595.26843	9.8
596.14911	7.3
596.24023	1.0
596.28070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25355	5.1
57.03455	5.9
59.01382	46.2
61.98843	4.9
69.23766	31.2
69.24171	9.6
70.59699	3.9
71.01379	19.8
72.99290	5.0
73.02941	8.3
75.00876	33.5
83.01394	4.5
85.02951	14.9
87.00869	7.6
89.02435	11.0
93.03468	6.3
95.01342	4.6
98.20636	12.0
101.02422	11.2
102.62341	4.4
105.01965	5.2
109.02953	6.8
113.02426	8.1
116.92843	15.6
119.03500	4.7
121.02951	13.5
122.03733	8.0
123.00895	6.0
123.04527	8.3
125.02460	12.3
129.01965	6.3
133.02969	6.5
135.02974	27.8
135.04530	9.8
136.01709	5.1
136.03329	7.0
136.05281	9.7
137.02412	5.1
137.03378	7.2
148.01674	8.2
149.02426	31.0
149.04402	5.0
149.06099	5.3
150.03236	79.6
151.00284	5.5
151.04045	29.6
161.02473	22.7
163.04030	25.6
164.04747	9.2
165.05556	70.1
168.00485	5.9
169.01460	13.3
174.31351	4.4
177.04086	8.0
179.07103	6.4
181.05038	30.8
191.05446	4.6
193.05081	11.9
193.25485	4.2
195.05026	31.7
195.06616	51.8
211.02408	4.3
211.06096	15.3
255.02875	7.0
256.03583	6.3
269.08066	11.2
270.08987	5.8
271.02490	7.1
283.09564	6.8
284.03076	6.5
285.03687	4.7
291.56348	5.5
300.02713	13.1
301.03317	6.5
311.09198	11.0
313.10828	7.1
323.12302	4.7
337.07657	14.1
343.11841	100.0
373.12927	46.8
391.13937	78.1
443.15289	9.1
595.13544	21.6
595.23773	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	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.08629	0.7
71.24571	1.3
78.91901	1.1
78.95901	67.5
80.91679	15.4
96.96959	13.6
152.99582	100.0
171.00650	2.8
183.46069	0.7
223.00061	9.5
241.01169	26.2
259.02209	2.1
279.23270	62.2
280.23697	2.1
315.04852	17.5
333.05780	1.3
406.96509	0.8
444.09717	0.8
595.28845	92.5
596.29303	7.1
624.78778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74625	1.2
57.03481	1.0
57.42361	0.9
59.01382	6.4
61.98812	3.3
71.01377	2.9
71.53303	1.2
75.00864	3.0
78.53731	1.0
83.01384	1.2
85.02934	3.5
89.02446	1.8
93.03454	4.4
96.95999	1.5
99.00875	1.4
113.02406	1.9
113.99564	2.0
117.03470	1.8
119.04996	4.3
125.02455	1.5
129.01884	1.4
133.02953	2.5
135.02971	1.3
137.02437	1.4
145.02907	4.8
151.04027	1.2
161.02411	4.7
163.03973	2.1
174.01646	1.2
177.01863	2.5
177.04033	2.3
179.03369	1.4
183.04578	1.3
195.05055	5.2
196.05214	1.3
197.05881	1.5
199.03955	1.8
211.03899	1.9
213.05521	3.3
224.04700	2.2
225.05539	1.5
227.03499	17.2
227.07021	1.6
229.04945	1.9
237.05576	1.6
239.03429	2.2
239.07123	1.9
240.04285	2.0
241.04924	1.9
245.99123	1.0
253.05058	21.0
254.05496	1.4
255.00552	1.3
255.02936	12.2
255.06502	2.9
256.03574	2.2
267.02927	7.3
268.03806	1.5
269.04474	3.1
271.06104	2.1
277.05582	2.4
281.04507	5.5
282.05042	3.0
283.02393	9.0
283.06091	4.1
284.03217	7.1
285.04007	14.3
286.04260	1.3
297.03940	2.2
310.01495	1.4
310.04813	19.9
311.05591	35.2
312.05820	1.7
332.03311	1.0
332.06827	4.1
333.07449	1.5
337.07773	11.0
347.05200	1.9
347.09222	25.8
348.09540	1.5
361.07181	2.2
375.08798	4.8
376.09381	3.4
389.06668	9.3
390.07147	2.0
403.08154	1.8
404.08914	20.1
405.09726	9.9
425.72931	1.1
431.09897	8.7
443.15427	3.0
448.07846	2.1
449.08752	5.7
457.11359	31.9
458.11630	1.8
501.10144	1.4
535.26782	1.2
551.15601	19.5
552.15942	1.5
595.14539	100.0
596.14856	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	595.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.9
59.01377	4.3
61.98830	91.4
62.98546	1.1
63.02386	0.9
65.00325	14.9
66.43751	0.7
70.86958	0.7
71.01385	2.9
72.31107	0.6
80.51017	0.6
81.03444	1.0
83.01392	7.4
85.02953	1.7
88.98792	0.7
89.02452	1.0
93.03456	1.3
96.50247	0.6
96.96023	0.7
101.02448	1.0
107.01395	23.7
107.02142	1.2
107.05044	1.5
109.02950	4.6
117.03491	2.1
119.05029	10.7
120.45951	0.8
123.00855	1.2
125.02452	14.1
133.02962	8.4
134.03719	2.0
135.04524	62.3
136.01656	0.8
136.04840	1.9
137.02443	7.2
145.02965	11.8
147.01007	0.9
147.04541	1.1
149.02483	1.1
150.03206	1.2
151.00363	100.0
151.03958	2.4
152.00795	1.7
159.04565	2.8
161.02437	26.2
161.06018	1.3
162.02985	1.2
163.03978	2.0
164.01170	1.0
165.01913	5.4
165.05595	2.6
166.02765	0.9
167.03519	1.4
169.01440	1.1
173.06042	0.8
174.01709	1.8
174.69992	0.8
175.00418	3.8
175.03867	1.6
177.01982	4.1
177.05571	2.4
179.03514	11.2
181.05032	1.0
185.06073	1.9
187.03967	2.2
193.01476	1.3
193.04959	1.1
194.05878	0.8
203.03418	0.9
205.05049	2.5
217.01437	0.8
220.07399	1.5
221.04558	2.0
227.03380	1.3
227.07140	2.1
243.06654	4.1
253.05034	0.8
255.02879	2.2
264.79321	0.7
271.06119	30.3
272.06467	1.2
284.03195	1.9
285.04022	4.0
286.04276	2.1
287.05594	63.4
288.05969	3.9
295.06122	1.1
297.03848	0.7
307.08224	8.6
311.05740	0.8
323.07663	20.5
324.08215	0.7
345.09894	1.3
359.11136	1.1
449.10953	3.5
459.09372	2.4
498.09955	1.9
565.20392	2.6
580.19476	3.1
595.14313	35.7
595.22186	11.2
596.14771	1.9
617.30585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27705	1.8
52.51565	1.7
58.78472	1.6
61.98830	100.0
62.09423	1.5
69.76388	1.6
75.65729	1.6
98.19859	3.1
99.97198	1.6
101.76110	1.7
103.87495	1.6
109.20361	1.5
122.34518	1.6
127.62965	1.6
132.28296	1.5
163.11278	2.9
178.10033	1.9
179.10724	9.7
193.13101	2.0
223.36215	1.8
229.43924	1.9
305.40613	1.8
311.22263	2.1
354.21976	2.0
355.22702	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	594.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
67.12336	1.8
70.80795	1.7
71.60855	1.7
71.67705	2.0
78.58949	1.6
84.00682	1.7
98.84951	2.2
135.04539	3.2
159.35715	1.8
163.11217	2.3
163.96582	2.2
177.09265	2.7
311.16559	2.5
323.13742	2.3
355.22925	3.6
363.93323	1.9
414.72015	2.1
458.26129	2.0
474.27823	11.5
516.32849	2.0
534.24866	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	595.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19386	0.8
59.01353	2.8
63.22290	0.8
68.75385	0.9
69.35592	7.7
71.01349	3.4
85.02931	1.1
89.02391	1.6
96.95991	2.0
101.02406	1.4
107.01402	1.8
107.18217	1.0
113.31508	0.9
119.04292	1.1
119.05026	17.5
123.00835	3.7
125.02448	17.6
135.02919	4.3
135.04518	1.8
145.02936	1.4
151.00334	2.6
163.04001	10.2
165.03938	1.6
168.00583	1.0
169.01421	25.8
241.03415	1.3
242.99211	2.0
246.32442	0.9
270.98840	27.5
275.26740	0.9
298.98328	33.7
299.01736	2.3
299.99088	100.0
300.99719	9.5
312.99820	1.7
313.05627	14.3
397.05637	1.5
432.02814	2.6
433.04037	20.1
447.53998	1.0
453.50766	1.0
462.04028	2.8
463.05157	9.4
477.10345	31.7
478.10696	2.6
480.05194	1.5
505.57465	0.9
513.84521	1.0
595.09155	87.7
596.09454	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	595.1304
Annotation	Peltatoside
Peak:m/z	Relative Intensity
52.84910	0.5
59.01366	2.9
61.98850	0.5
63.02402	0.6
65.00340	0.9
71.01380	3.0
71.52206	0.9
73.95757	0.6
75.00861	1.1
84.67833	0.6
85.02948	0.6
87.28773	0.6
88.47004	0.6
89.02419	1.8
93.03444	1.0
99.02518	0.6
107.01367	1.9
108.93465	0.6
111.00897	0.7
113.02439	1.4
119.05036	0.9
121.02929	1.0
125.02436	1.1
135.02959	3.1
151.00345	6.1
152.19925	0.6
153.01981	0.7
159.04512	0.8
161.02415	1.0
163.00441	0.7
163.04082	0.6
165.04066	0.7
169.01385	2.3
170.75099	0.8
175.00372	1.1
175.03970	1.1
178.99861	1.2
183.04626	0.6
199.03979	2.5
203.03563	1.2
215.03363	1.0
227.03564	3.2
243.02902	4.4
255.02974	2.3
266.32358	0.6
271.02451	52.3
272.02887	1.6
275.01788	1.0
283.02423	0.8
285.03778	1.4
285.07684	0.6
286.04245	1.4
287.04437	0.9
297.06451	0.7
299.01944	100.0
299.99066	3.8
300.02603	12.7
300.99908	2.1
301.03485	34.5
302.03806	0.7
343.04318	1.0
433.07733	16.7
449.09460	0.8
462.08014	31.4
463.08740	15.6
477.10150	1.3
480.05148	1.3
491.20700	1.4
551.97833	0.7
595.13049	76.2
596.13635	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	595.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
61.98841	3.2
63.19068	1.5
68.53390	1.4
68.57647	1.8
70.09054	6.7
72.99311	2.7
75.00871	20.6
77.91154	1.9
79.95761	1.6
89.00957	1.5
89.02450	4.9
96.96006	25.8
109.84919	1.6
117.01971	1.9
125.97353	1.6
127.45039	1.5
133.02940	3.0
135.02994	100.0
135.04559	5.9
161.02492	4.3
179.03456	5.1
195.04990	2.0
221.00505	1.8
237.17352	1.7
297.06128	12.7
299.99020	7.3
322.04324	2.0
371.07700	3.0
379.94232	1.9
415.06296	2.8
486.75500	2.0
544.09412	1.8
595.09680	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	594.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64098	0.2
52.02991	0.2
53.69164	0.2
59.01363	0.3
61.98829	100.0
65.00338	0.3
68.03092	0.2
69.28903	0.8
69.29332	1.1
70.63239	0.2
71.01395	0.3
77.95970	0.2
79.39285	0.2
83.01418	0.2
85.39677	0.3
86.31256	0.2
92.52110	0.2
97.40483	0.2
98.20721	0.4
98.46675	0.2
98.77146	0.2
107.01378	0.4
117.03460	0.6
119.05058	1.0
125.02451	1.0
133.02977	0.9
135.04506	1.2
137.02493	0.4
145.02988	0.6
151.00352	1.7
161.02472	3.0
165.01976	0.3
169.01431	0.2
177.05576	0.4
179.03500	1.3
221.04686	0.6
255.03110	0.3
269.04715	0.3
271.06085	2.0
281.06729	0.6
284.03079	0.3
285.04016	4.4
286.04367	4.1
287.05008	0.2
323.07632	1.0
325.03656	1.1
326.03760	1.2
341.08798	0.6
429.35590	0.3
464.82553	0.2
471.17508	0.3
531.22241	1.6
594.13538	1.9
595.14899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.98829	100.0
65.00315	1.3
69.53234	2.0
71.01386	0.6
73.02979	0.5
82.07660	0.3
83.01400	1.2
89.02439	0.3
93.03470	0.9
101.02448	0.6
107.01383	2.9
109.02937	0.5
117.03444	0.6
119.05027	1.1
123.00919	0.4
125.02467	1.8
131.01439	0.4
133.02956	2.4
133.70476	0.3
133.71568	0.3
134.03755	0.5
135.04526	6.7
135.05522	0.5
137.02470	0.9
145.02951	1.9
147.04581	1.5
149.02379	0.3
150.03215	0.4
151.00371	10.0
151.03920	0.4
161.02446	8.2
161.04579	0.3
161.06110	0.4
162.02902	0.5
163.04037	0.6
165.01942	0.5
169.01479	0.6
174.01718	0.5
175.00401	0.5
177.01959	0.5
177.05574	0.7
179.03471	3.2
193.04926	0.4
221.04619	1.0
251.05684	1.2
255.03076	0.7
271.06082	3.4
281.06577	1.9
284.03333	0.7
285.03973	3.4
286.04343	3.4
287.05646	5.2
287.08618	0.5
301.57230	0.3
307.08328	0.7
323.07703	2.9
341.08759	2.3
374.26392	0.4
447.22369	0.4
449.11145	0.4
531.22357	3.7
580.20764	0.4
594.13074	2.4
594.27612	0.8
594.37604	0.3
595.14069	3.2
595.22559	1.1
610.54297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49520	0.7
57.03437	3.4
58.02969	1.5
58.35119	0.7
59.36999	0.7
61.98831	1.3
69.30663	2.8
69.31088	4.0
74.02458	3.0
74.82054	0.8
81.03455	1.7
83.01389	2.8
86.02461	1.4
91.50151	0.7
93.03458	1.8
95.01355	1.0
95.05058	0.9
96.96015	9.7
97.02942	2.1
98.19907	1.6
99.04507	3.0
99.05627	2.6
109.02933	2.4
110.99093	1.2
121.02936	1.7
123.04471	2.0
125.00625	2.3
125.02438	21.6
128.03528	9.0
135.02982	1.7
135.04541	1.1
137.01465	1.4
137.02444	20.8
138.88161	0.8
139.03995	3.3
139.99364	1.3
141.00143	8.6
143.04611	11.1
146.04556	0.9
149.02423	7.7
151.03931	1.2
151.66788	0.7
153.00157	6.9
153.02074	0.8
155.01665	1.1
161.02446	4.7
163.03703	0.7
164.01086	2.8
165.00146	17.3
165.01866	2.3
167.03503	11.2
174.34889	0.9
177.00081	1.0
179.03409	4.6
179.04741	1.2
179.98834	2.3
180.99643	11.7
183.01192	14.2
193.03224	1.5
195.01125	1.0
197.05902	1.0
198.77539	0.8
199.07503	0.9
201.05550	1.8
205.52048	0.8
210.08797	2.3
216.82706	0.8
217.05008	1.0
219.01247	0.9
235.04291	2.3
243.06577	1.0
253.05334	1.3
254.07825	3.9
269.04434	0.9
272.08868	29.7
277.05292	2.7
279.03204	1.1
299.99112	2.1
300.99826	1.2
303.03360	4.4
321.04343	100.0
322.04639	3.0
456.10361	1.0
594.14075	2.3
595.09479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03735	27.3
58.39465	23.7
59.01379	30.9
61.98810	43.6
66.39365	23.3
72.38222	23.9
78.95898	100.0
94.30326	25.0
98.20641	81.1
121.02946	38.8
125.02445	24.6
127.04848	26.2
152.99565	74.2
255.23372	29.4
284.03110	33.0
433.55035	26.2
460.49445	25.3
533.15924	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	594.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68264	1.2
54.33004	1.1
55.34747	1.3
55.78741	1.2
57.03441	3.4
58.02967	3.2
58.03219	1.4
61.98834	1.8
71.51337	1.3
72.45881	1.4
74.02475	9.5
75.00871	2.2
75.83797	1.3
83.01391	1.5
85.08701	1.2
86.02457	4.1
86.06078	1.2
87.05640	2.4
88.98811	3.1
99.05625	9.1
99.36864	1.2
101.02409	1.7
101.07200	2.0
109.02952	3.1
121.02931	3.2
125.02444	29.9
128.03545	34.3
135.02960	3.0
135.05620	3.5
137.02477	7.5
137.07193	1.7
141.00169	11.6
143.04619	44.5
143.05753	2.3
146.04578	3.1
149.02440	7.3
153.00182	2.3
159.04565	2.2
161.02399	9.3
164.01183	1.7
165.01941	3.3
166.09827	1.9
167.03419	2.0
172.09117	1.4
173.06082	1.7
179.03250	2.4
179.04745	7.6
183.01180	11.2
190.54070	1.5
191.05545	1.8
201.05553	2.8
203.03444	1.5
209.00717	1.4
210.07079	1.1
210.08809	7.8
215.07013	1.6
228.09753	2.2
229.01328	1.3
237.02255	2.1
243.06570	1.8
254.07820	13.0
272.08868	100.0
273.09079	2.2
287.05563	2.8
299.99023	2.8
300.99829	1.9
302.00195	1.4
321.04340	46.7
322.04630	2.0
325.72043	1.3
371.07495	2.3
456.10727	8.5
594.14026	10.3
595.10748	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	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55145	0.7
52.78939	0.8
59.01361	3.7
61.98814	3.4
62.73654	0.9
67.75993	0.8
69.44603	6.0
71.01363	2.4
78.95902	70.5
89.02419	1.0
94.32617	0.8
96.96957	11.7
101.02425	1.9
104.29058	0.8
112.69200	0.8
113.02457	0.9
121.03010	1.2
125.02432	1.1
139.04021	0.9
150.97978	1.2
152.99590	53.0
164.26730	0.9
197.11748	0.8
209.04549	1.1
209.11815	5.9
223.00084	2.0
232.00188	0.9
239.37651	0.8
241.01169	30.2
255.02887	1.0
259.02307	1.0
277.21701	54.4
278.21973	4.0
284.03220	1.1
285.03946	1.3
300.35260	0.8
315.04810	10.3
342.93594	0.9
413.21051	5.9
431.22269	1.1
485.14279	2.4
593.27240	100.0
594.27710	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	593.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91951	1.1
59.01368	2.3
60.99307	16.6
61.98830	11.1
69.90959	1.1
75.00890	1.3
78.95907	1.8
88.00391	6.7
88.04051	1.7
88.98806	100.0
89.02448	25.4
94.51257	1.2
96.96024	2.8
121.02952	3.4
129.51505	1.1
209.04628	1.3
234.31973	1.1
255.02849	1.3
285.04028	2.9
355.75964	1.1
527.25818	1.5
593.13757	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	593.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89742	1.5
56.15876	1.6
59.01373	4.0
60.99303	13.1
61.98839	12.7
66.80754	1.5
67.36111	1.5
71.53703	2.6
74.73366	1.5
78.95898	2.9
79.21874	1.5
87.00865	2.0
88.00385	3.5
88.98805	100.0
89.02448	23.8
91.30436	1.4
121.02934	5.8
209.04549	2.8
284.03271	2.7
285.04019	4.4
299.98938	2.5
396.59836	1.8
555.60815	1.5
593.13031	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49044	1.3
59.01077	2.3
59.01379	55.0
61.98830	100.0
65.12097	1.3
65.98860	1.2
71.01389	6.3
73.02946	3.6
75.00878	3.3
78.95890	3.4
83.01379	2.4
84.95081	1.7
85.02958	6.0
87.00880	2.8
88.98811	5.4
89.02435	3.3
95.05050	1.5
96.96027	3.0
101.02438	5.2
109.02958	1.4
113.02409	2.6
115.04017	1.7
116.92847	4.2
117.03475	1.9
119.05012	2.2
121.02960	1.9
124.01779	1.9
125.02460	2.9
133.02930	3.1
135.04437	1.7
142.73393	1.5
145.02942	7.7
147.04488	2.5
151.00357	7.0
152.99547	2.4
161.02449	9.8
163.00365	2.5
163.02704	1.5
163.03986	2.9
169.01392	4.0
175.03946	1.8
178.99852	1.9
190.02652	2.3
211.13371	1.7
227.03468	4.5
243.02946	6.5
254.02307	1.7
255.02927	14.4
255.82509	1.4
271.02463	29.3
272.02948	2.4
284.03113	7.5
285.03964	14.2
300.02682	34.8
301.03534	11.5
307.08508	1.9
345.30112	3.2
371.24512	2.0
489.34326	29.1
490.34399	2.2
507.35135	8.7
533.31525	4.5
593.13049	44.1
593.27325	9.7
594.13208	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	593.151
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.49700	0.5
50.73945	0.3
59.01390	0.8
60.68981	0.4
63.02402	0.8
65.00326	1.0
67.60522	0.4
75.00878	0.8
76.85275	0.3
78.27195	0.3
83.01395	1.0
93.03461	2.4
107.01404	2.9
109.02947	1.4
116.82047	0.4
117.03520	0.5
118.43762	0.4
125.02409	0.6
132.02197	1.7
133.03006	0.9
135.00868	2.4
135.03026	0.5
135.04547	0.6
137.02383	0.6
143.05020	1.0
145.02946	1.1
149.06020	0.7
151.00386	3.3
153.01915	0.4
156.72240	0.4
157.06564	0.6
159.04474	1.5
161.02470	0.7
163.00348	3.2
163.04057	0.4
164.01160	0.6
165.01892	0.5
167.03558	0.6
167.04915	0.4
169.01372	0.5
169.06551	1.0
171.04559	0.8
174.03247	0.4
177.04056	0.7
179.03456	0.5
183.04504	1.6
185.02464	0.7
185.06073	3.1
187.04013	3.5
189.05524	1.2
195.04666	1.1
196.05252	0.7
197.06087	1.1
199.03999	1.4
200.04749	0.5
201.05568	1.1
211.03970	3.0
213.05580	2.1
215.03375	0.5
227.03479	38.6
228.03874	1.8
229.05046	13.5
229.90160	0.5
237.04018	0.5
239.03482	2.6
240.04248	0.6
241.05046	1.7
243.02879	0.6
255.02974	68.1
256.03592	6.9
257.04562	8.2
267.02921	1.4
283.02405	0.6
284.03247	71.7
285.04010	98.4
286.04449	3.3
327.05109	1.1
379.76086	0.4
393.42368	0.4
475.12503	0.6
593.15051	100.0
594.15497	7.1
610.91321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.2
59.67588	0.7
60.19424	0.8
61.98819	2.1
69.23792	8.4
78.95902	71.4
88.98827	1.9
96.96970	10.5
98.20665	1.6
121.56118	0.7
124.99545	0.8
134.91272	0.8
150.97917	1.0
152.99580	100.0
153.99902	1.2
171.00679	2.4
223.00119	10.3
241.01184	24.7
245.47879	0.7
259.02310	1.7
277.21722	44.2
278.22079	2.6
315.04877	17.2
322.45255	0.8
339.49576	0.9
371.90860	0.8
389.28857	0.8
521.25977	1.0
522.47034	1.0
593.27283	89.3
594.27649	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	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50660	0.6
59.01391	0.9
70.29041	1.4
70.29440	1.3
78.95898	67.8
82.50449	0.7
92.44337	0.6
93.11124	0.6
95.05546	0.6
96.96958	12.7
98.20576	0.9
152.99576	100.0
171.00641	3.5
223.00099	10.4
241.01183	27.7
242.01485	0.6
259.02170	1.5
277.21716	48.4
278.21948	1.5
315.04831	19.2
593.27264	90.6
594.27509	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
59.01378	2.7
61.98860	1.1
63.02436	0.7
65.00347	0.4
71.01424	1.2
73.03004	0.4
74.30620	0.3
75.00932	0.8
81.03490	0.4
81.23648	0.3
83.01423	0.7
85.02981	0.6
87.04533	0.3
88.98793	1.9
89.02493	0.6
91.01920	0.4
93.03460	1.8
99.00884	0.3
101.02474	0.6
102.79324	0.3
107.01407	1.5
109.03001	1.2
113.02494	1.1
117.03512	0.9
119.05038	0.7
121.02995	0.6
123.00912	0.5
125.02498	0.8
131.05038	0.4
132.02229	0.3
133.02956	1.6
135.00928	1.1
135.03033	1.1
135.04594	0.9
136.01724	0.5
136.85158	0.3
137.02461	0.6
141.07140	0.3
143.05046	1.3
145.02957	2.1
145.06636	0.3
151.00377	1.0
151.04111	0.5
153.01915	0.4
157.06635	0.9
159.04562	1.4
160.01779	0.4
161.02443	3.4
163.00398	2.7
165.01862	0.6
167.04997	0.6
169.01518	0.6
169.06673	0.8
171.04562	0.7
173.06052	0.4
179.03537	0.8
181.12354	0.6
182.03796	0.4
183.04501	0.4
185.06093	2.8
187.04002	3.5
189.05649	1.2
195.04503	0.5
197.06146	1.1
199.03998	1.0
201.05577	0.8
211.04037	1.5
212.04915	0.5
213.05591	2.3
214.02736	0.4
215.03474	0.4
223.04044	0.4
225.16183	0.4
227.03488	5.6
229.05049	11.7
230.05365	0.4
239.03464	1.1
240.04216	0.7
241.05077	1.8
243.02950	0.5
245.01253	0.3
245.08360	0.4
255.02968	5.1
256.03714	1.5
257.04510	5.7
258.05087	0.3
260.28723	0.3
267.02985	0.9
269.17484	0.6
284.03259	4.5
285.04025	100.0
286.04321	3.8
289.07199	0.7
388.14734	0.3
389.15125	0.5
431.09909	0.4
441.08057	1.0
441.17352	0.4
451.32919	0.8
471.11441	0.4
475.17892	1.3
485.14999	0.3
503.18866	0.6
515.18915	1.2
520.62134	0.4
521.20239	0.6
533.20105	1.2
563.21594	1.4
575.13281	0.6
575.21252	0.9
593.14709	24.7
594.15027	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	593.151
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
55.56910	0.6
59.01376	2.0
65.00340	0.5
69.49094	3.8
71.01379	1.0
75.58014	0.4
77.65869	0.5
89.02420	0.9
90.28861	0.5
93.03459	1.2
96.80485	0.5
107.01379	0.7
109.02972	1.0
117.03419	1.1
132.13863	0.5
135.00829	0.7
136.30408	0.5
142.03104	0.5
143.05011	0.8
151.00363	1.6
154.04205	0.5
159.04567	0.8
169.01398	0.6
169.06566	0.9
183.04532	1.7
185.06140	0.7
187.04056	0.7
211.04001	1.6
213.05550	1.2
214.02701	0.6
227.03499	3.1
229.05067	0.8
239.03389	0.7
255.02985	26.7
256.03485	1.0
257.04617	0.8
269.04428	0.9
283.02481	50.7
284.03143	5.0
285.04047	100.0
286.04388	4.9
297.03854	0.6
327.05124	4.0
369.05872	0.8
431.09848	8.1
446.08594	10.3
446.14273	0.4
447.09296	17.4
533.26007	0.7
551.27130	0.8
593.15063	23.6
594.15533	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	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01375	10.9
61.98829	36.7
62.53822	0.9
63.02391	1.8
63.51392	1.0
65.00327	2.5
71.01374	4.5
72.99298	1.0
73.02947	1.3
75.00860	1.7
76.98718	0.7
78.95907	2.4
83.01389	2.2
85.02927	2.0
88.98784	1.1
89.02433	2.2
93.03449	4.1
99.00887	0.8
101.02458	2.0
107.01374	3.7
109.02951	1.4
117.03461	3.6
119.05008	3.5
125.02452	2.2
132.02187	10.0
133.02972	4.8
134.03754	9.2
135.00931	0.9
135.04517	2.0
137.02449	3.0
145.02956	5.7
149.06119	1.6
151.00372	11.0
152.01103	1.0
152.99483	1.0
153.79813	0.8
154.05849	0.8
160.01665	41.7
160.12636	0.9
161.02428	4.3
163.00319	3.1
163.04013	3.2
169.01486	1.2
171.04500	1.2
173.02440	1.3
173.66499	0.8
175.04004	45.6
176.04482	1.2
177.01883	1.1
178.99867	1.2
179.03360	1.2
183.04466	1.9
185.06192	1.3
187.04036	1.4
189.99089	0.9
193.05075	13.0
197.06163	0.9
211.04053	2.7
212.04811	0.9
213.05493	1.2
225.05588	1.6
227.03508	18.0
228.04181	1.0
229.05080	2.5
237.05603	1.0
239.03528	4.5
240.04292	1.6
253.05145	2.5
255.02968	32.4
256.03607	3.1
257.04495	1.6
267.02975	3.4
268.03729	2.1
269.04645	4.5
281.04523	1.3
283.02432	5.8
284.03235	29.9
285.04010	24.7
295.02390	2.4
296.03061	1.0
297.04001	6.4
298.04636	1.0
301.03406	2.2
309.04025	1.4
313.70413	0.9
324.02750	3.4
325.03503	41.9
326.04001	2.0
331.64172	1.0
337.03531	1.5
367.04440	1.6
376.12918	0.9
431.07828	2.5
449.08945	1.0
487.08978	4.5
495.51672	1.0
530.33960	0.8
533.31104	1.2
592.28113	1.5
593.13074	100.0
593.29175	41.6
594.13385	6.0
594.29932	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	593.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
61.98831	8.7
63.02409	1.2
65.00319	2.2
69.62591	1.8
69.63017	1.8
71.01379	0.7
72.99298	0.7
78.95903	1.2
83.01384	1.0
83.92778	0.5
85.02950	0.9
85.58588	0.5
93.03455	0.9
94.47828	0.5
94.82542	0.5
101.02438	0.9
102.58326	0.5
107.01408	3.1
108.02184	1.5
109.02952	1.8
117.03436	0.8
121.02942	1.4
125.02457	0.8
132.02205	0.6
133.02959	1.5
135.00899	1.3
135.04543	0.9
137.02431	0.8
145.02945	1.2
147.04497	0.5
148.01700	2.2
149.02509	0.5
151.00363	8.7
152.99539	1.1
153.02049	0.7
159.04477	0.9
161.02458	3.4
163.00363	3.5
163.03998	1.1
164.01149	1.0
164.71396	0.5
169.01431	1.2
174.03149	0.7
178.99828	4.8
179.03435	0.7
183.04480	0.7
183.73347	0.5
185.06212	0.9
187.03979	2.2
191.73499	0.5
199.03998	2.1
203.03517	0.9
209.11801	0.6
211.04034	1.8
215.03517	1.3
226.02707	4.8
227.03479	6.0
228.03983	1.0
229.01492	0.6
229.04976	3.0
239.03430	0.8
241.04861	1.0
243.02975	17.9
244.03537	0.8
245.04430	1.1
254.02232	5.5
255.02975	26.8
256.03589	1.2
257.04504	1.8
271.02466	86.2
272.03030	5.1
273.03732	0.6
283.02591	1.1
284.03226	3.6
285.04007	20.1
299.02011	1.9
300.02734	100.0
300.32343	0.6
301.03485	29.6
307.08224	0.8
342.46243	0.6
343.04562	1.3
442.18500	0.5
445.07776	0.9
445.28537	0.6
447.09134	1.0
489.34497	1.2
592.28125	0.6
592.38721	0.7
593.13000	84.4
594.13190	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	593.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
61.98827	2.8
63.02403	0.6
65.00336	0.2
66.17559	0.2
71.01370	0.4
72.99295	0.2
74.02476	0.3
83.01386	0.7
89.02463	0.3
91.01908	0.6
93.03458	2.4
98.20695	0.5
100.40342	0.2
103.62134	0.2
107.01394	1.9
108.02168	0.4
109.02962	1.3
117.03468	0.7
119.01391	0.3
123.00867	0.2
125.02449	0.6
130.04280	0.2
131.05017	0.3
133.02940	1.2
135.00893	1.1
135.04520	1.6
137.02455	0.3
141.07115	0.3
143.05025	1.5
145.02979	1.0
151.00400	0.6
153.01910	0.3
154.04213	0.3
155.04982	0.4
156.05824	0.3
157.06564	1.0
159.04501	1.6
161.02452	3.7
163.00363	2.4
165.01921	0.6
167.04996	0.6
169.01466	0.3
169.06558	1.1
171.04533	1.2
173.02534	0.3
173.06044	0.4
175.03951	0.5
178.99867	0.2
179.03539	1.2
183.04477	0.7
184.05258	0.4
185.06079	3.3
187.04005	3.5
189.05542	1.3
195.04498	1.0
196.05222	0.3
197.06024	0.9
198.03255	0.4
199.04001	1.0
201.05589	0.8
211.04021	1.9
213.05542	2.0
215.03554	0.3
221.04538	0.5
224.04582	0.3
226.02713	0.6
227.03474	3.7
229.05046	13.2
229.98401	0.3
230.05380	0.4
239.03618	1.5
240.04225	0.7
241.05011	1.5
243.02959	1.2
251.05717	0.5
255.03004	2.2
255.10233	0.3
256.03699	0.8
257.04553	7.5
267.02960	1.0
271.02521	2.8
281.06894	0.4
284.03174	1.7
285.04041	100.0
286.04395	4.0
297.03946	0.3
300.02634	2.6
301.03564	0.9
307.08234	0.7
323.07742	1.1
341.08749	0.9
431.09814	0.5
593.13141	5.7
593.26062	0.8
593.34576	0.3
594.12885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21857	0.5
60.76379	0.5
61.98826	1.5
63.02408	1.3
65.00315	1.0
65.09649	0.4
69.19389	3.6
69.19794	1.0
83.01393	1.0
91.01900	0.6
93.03458	2.4
98.19930	1.1
103.44337	0.4
107.01379	2.9
109.02953	0.4
110.94500	0.4
117.03456	4.4
119.05038	3.5
132.02176	1.3
133.02919	0.6
135.00900	1.6
138.39203	0.4
143.05037	0.9
145.02954	13.5
151.00357	6.5
157.06554	1.0
159.04480	1.3
161.06041	0.5
162.99210	0.6
163.00345	3.0
163.04051	2.3
164.01173	1.0
165.01962	0.7
167.05072	0.9
171.04500	1.5
173.06082	0.5
183.04509	1.1
185.02470	0.8
185.06090	2.0
187.04013	3.9
189.05563	0.7
195.04556	1.0
197.06133	0.8
199.03970	1.1
200.04802	0.9
201.05475	0.5
209.00801	0.5
211.04010	4.2
212.04651	1.0
213.05510	1.7
227.03490	44.6
228.03935	2.1
229.05051	10.9
239.03525	2.4
241.05067	1.8
255.02980	76.0
256.03693	8.7
257.04544	8.0
267.02859	0.6
271.15991	0.5
283.02466	0.7
284.03262	73.6
285.04025	100.0
286.04370	4.8
307.08282	5.5
325.03491	0.7
447.09256	5.1
514.48743	0.5
593.12988	83.0
594.13281	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	593.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
61.98829	2.0
63.02374	0.4
65.00329	0.5
71.01378	0.4
82.28734	0.1
83.01377	0.6
85.02944	0.2
93.03462	0.9
95.01351	0.2
96.96000	0.2
101.02427	0.3
107.01398	1.2
108.02180	0.3
109.02919	0.5
113.02453	0.2
117.03469	3.0
117.52883	0.1
119.01424	0.2
119.05014	0.8
121.02910	0.2
123.00919	0.2
123.04526	0.1
125.02413	0.2
132.02135	0.2
133.02986	0.6
135.00861	0.3
135.04501	0.4
135.76660	0.1
137.02419	0.5
143.05008	0.4
145.02953	5.8
151.00349	2.1
154.04237	0.2
157.06598	0.3
159.04512	0.5
161.02449	1.4
161.05969	0.2
163.00325	0.5
163.04021	0.4
165.01862	0.2
167.04974	0.3
169.01414	0.3
169.06587	0.5
171.04541	0.2
173.02380	0.3
175.00307	0.1
175.03905	0.2
177.01944	0.2
179.03473	0.2
185.06058	1.1
187.04013	0.8
189.05580	0.2
195.04489	0.2
196.05309	0.2
197.05994	0.2
199.03972	0.3
201.05515	0.3
205.05066	0.2
211.03967	0.6
212.04552	0.2
213.05562	0.5
214.02661	0.3
215.03516	0.3
227.03516	1.1
227.75446	0.1
228.04094	0.2
229.05022	1.2
229.34061	0.2
239.03485	0.9
241.04979	0.4
243.03014	0.4
255.02995	1.4
256.03632	0.2
257.04529	0.7
265.07074	0.1
267.02875	0.2
268.03827	0.2
284.03238	2.7
285.04025	100.0
286.01184	0.3
286.04361	4.0
292.60040	0.1
307.08289	0.6
327.05087	0.4
373.25876	0.3
413.15863	0.2
430.07068	0.2
431.07446	0.3
447.09100	0.2
593.13013	8.8
593.26605	0.7
594.13354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.98831	100.0
78.95903	0.4
98.37501	0.3
118.13506	0.3
121.02984	0.6
154.72052	0.3
159.44524	0.3
177.45219	0.3
225.39696	0.4
229.48250	0.3
245.89351	0.4
293.21265	0.4
469.49167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94074	0.2
59.01383	0.3
61.98826	0.6
71.01475	0.4
77.03951	0.4
78.95888	0.2
88.98806	0.5
91.01891	0.4
93.03492	0.3
120.02174	0.8
121.02956	100.0
122.03291	1.6
127.24355	0.2
136.01729	0.3
165.01930	4.3
180.05774	0.5
181.06557	2.0
188.51129	0.2
197.06088	1.7
207.04480	0.7
207.08255	0.4
209.04543	57.2
210.04851	1.4
223.03886	0.2
225.05617	1.7
231.99458	0.2
251.07056	0.2
257.09610	0.4
313.07117	1.6
329.08255	0.2
357.06183	1.0
383.07755	1.2
417.09787	1.1
505.11493	2.7
549.10333	6.2
550.10760	0.4
593.12988	10.7
594.12952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02374	1.3
65.00341	1.1
69.35674	8.7
85.33021	1.1
93.03491	2.2
107.01404	2.9
112.47231	1.0
117.03452	5.8
119.05025	4.4
131.05113	1.1
135.00887	2.8
143.05034	2.3
145.02965	15.0
151.00330	5.4
159.04503	2.7
163.00323	3.3
163.04019	3.2
183.04543	2.0
184.34059	1.2
185.06044	3.4
187.03946	3.3
189.05495	1.2
199.03954	2.5
201.05573	1.4
211.03947	3.4
212.83859	1.0
213.05527	1.7
227.03488	57.7
227.55556	1.0
228.03925	2.2
229.05031	10.2
239.03535	2.5
240.04282	1.2
255.02977	85.8
256.03638	9.6
257.04517	7.3
267.03070	1.3
284.03265	73.3
285.04019	97.7
286.04407	2.5
307.08289	3.8
347.81323	1.0
447.09161	3.9
593.13000	100.0
594.13220	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	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
59.20921	0.4
60.29190	0.4
71.29066	0.8
81.07843	0.6
106.06633	0.7
106.99961	0.5
141.57184	0.4
253.28873	0.6
396.16907	0.7
442.97775	0.5
443.22421	1.7
444.19391	0.5
445.20233	1.5
456.23621	1.2
458.21167	0.9
459.21832	2.1
471.20471	0.7
471.25735	2.5
472.23163	1.3
473.23752	0.7
482.20844	1.1
485.20010	1.9
487.25925	2.9
497.23627	3.4
499.21323	3.3
500.22241	11.3
501.22345	1.1
513.22552	0.7
514.23700	1.3
515.24506	100.0
516.24829	11.3
559.23401	4.2
560.23303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	1.8
65.88003	0.5
80.27419	0.5
106.06620	0.6
167.62421	0.5
248.54738	0.6
359.38785	0.5
396.16785	0.6
428.85339	0.5
443.22357	2.0
444.19043	0.7
445.19885	0.9
447.25549	0.7
455.22311	0.6
456.23431	0.8
459.21625	2.4
467.18283	0.5
471.20755	0.7
471.25629	2.6
472.22607	1.6
473.23135	1.5
482.21066	1.3
485.19809	2.1
487.25458	3.0
489.22873	0.6
497.23581	3.4
499.21420	2.3
500.22180	12.6
501.22235	0.9
503.20789	0.9
513.22620	1.2
515.24493	100.0
516.24817	8.0
518.23169	0.7
550.99469	0.5
559.23297	4.3
591.25604	0.5
619.73193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.39
Annotation	Irumanolide II
Peak:m/z	Relative Intensity
55.01860	1.4
57.03440	1.8
58.00584	1.9
59.01379	35.4
61.98826	7.3
68.99783	0.4
71.01383	10.6
71.05025	3.4
72.99300	3.0
73.02949	2.6
75.90578	0.4
78.95900	1.8
83.01392	3.6
85.02946	9.8
85.06595	0.5
86.00100	2.0
86.84080	0.6
87.00877	2.1
89.02451	4.2
97.06538	0.4
98.20660	1.1
99.00874	1.5
99.08157	0.7
101.02442	21.9
110.00484	0.4
111.08144	0.7
113.02478	1.1
115.92051	0.7
116.92802	0.5
123.08100	0.4
131.03502	26.7
152.99530	1.1
207.13879	0.8
208.68005	0.4
209.11780	0.9
252.13696	0.4
273.18677	2.2
289.21704	10.9
290.22058	0.8
336.33698	0.4
379.30112	1.4
421.26013	2.7
421.30820	0.5
423.32605	1.6
441.33963	3.2
459.34781	28.7
460.35403	2.5
511.34079	2.3
529.35352	1.2
543.32739	1.0
555.36652	0.7
557.37439	0.5
573.37970	10.2
574.38123	0.8
591.39026	100.0
592.39398	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	591.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12751	1.0
59.01381	2.6
71.51731	1.2
75.27830	1.1
95.08866	1.2
108.02173	64.3
109.02351	1.2
109.02978	12.3
116.92890	1.9
125.02450	3.4
135.04523	2.6
137.02406	1.2
147.71182	1.1
151.04047	1.8
152.01163	50.2
153.01947	26.5
163.03976	3.1
179.03505	3.3
182.98070	0.9
191.05562	1.3
285.06149	100.0
286.06335	3.5
300.99960	1.2
305.06564	2.4
339.43564	1.1
344.09561	1.0
352.69119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64328	0.8
59.01375	3.2
61.98811	0.9
71.01380	1.8
73.02938	1.1
73.45093	0.8
79.50061	0.8
88.98810	1.5
93.03440	1.0
95.87886	0.9
96.44946	0.7
98.20646	2.2
101.02428	1.3
108.02180	1.1
109.02949	2.1
115.87541	0.9
121.02940	3.0
122.03707	1.6
123.00881	1.8
125.02457	1.6
129.01991	0.9
136.01662	37.3
137.02467	7.2
149.02365	1.1
149.04552	3.0
151.00354	9.8
151.03998	48.7
152.01154	1.2
152.04526	1.1
153.02005	0.9
160.01686	1.3
161.02412	1.3
166.02701	29.7
175.04019	1.5
177.01930	1.9
181.05066	37.1
329.10416	2.3
335.91058	0.8
357.09854	11.3
372.12189	6.6
387.14471	100.0
388.14682	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	590.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77674	2.7
59.01384	17.9
61.98837	27.4
69.03451	4.2
69.22112	32.1
71.01382	12.5
73.02940	4.5
75.00848	6.1
79.70731	3.6
81.03463	2.9
83.01389	4.4
84.14252	3.1
85.02936	5.5
86.51447	3.1
89.02448	8.2
91.39578	3.5
99.00900	3.5
101.02417	5.0
107.01391	31.5
109.02974	3.0
111.00874	9.0
113.02455	8.3
116.92873	4.5
117.03475	6.5
118.03788	3.1
119.05023	38.6
120.05352	14.6
121.02914	3.3
123.22780	2.9
124.01711	3.3
125.01534	3.7
125.02448	59.3
126.02789	3.9
127.02931	3.6
129.01930	7.8
135.02994	7.0
135.04503	6.7
137.02417	7.9
139.00333	3.5
139.03998	12.2
139.68279	3.2
145.02936	28.2
145.59140	3.0
146.03276	13.6
147.02969	5.1
161.02475	7.5
161.13342	6.9
163.04007	31.6
164.04362	9.1
165.05486	7.3
168.00629	7.5
169.01425	78.6
170.01797	3.8
177.04037	4.8
179.03464	3.1
183.02988	26.7
195.06609	5.9
237.77052	4.1
249.11163	3.5
307.08099	6.2
308.08542	8.1
410.15363	12.2
471.12808	5.1
472.13297	21.5
527.15576	100.0
528.16052	9.3
590.22986	15.2
591.21820	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	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94777	0.5
58.42646	0.4
59.01364	0.9
61.98816	0.6
63.71087	0.5
71.44711	0.9
72.99304	2.2
74.15508	0.4
75.00872	100.0
78.95902	0.8
90.24203	0.5
115.92037	0.5
152.99507	0.6
192.75305	0.5
200.16153	0.7
277.21799	0.7
316.36810	0.5
343.62393	0.5
378.29324	0.6
419.97302	0.5
438.96912	0.5
471.34836	0.9
589.27972	0.7
589.39709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41322	2.9
53.54938	2.3
54.15224	2.5
55.01862	8.1
55.05144	2.5
57.03447	7.6
58.00580	4.3
59.01382	97.8
61.98834	26.7
64.01640	2.6
69.21830	27.1
71.01381	75.6
72.99313	4.0
73.02946	29.8
78.95906	6.8
83.01392	15.4
85.02952	43.7
87.00862	10.1
89.02448	19.6
95.01398	4.7
96.96017	5.9
96.96931	4.1
97.02964	3.6
99.00904	13.2
99.92567	9.6
101.02440	62.9
103.04012	5.8
113.02443	29.2
115.92067	24.0
116.92854	5.4
119.03526	3.0
125.02467	5.6
131.03508	30.4
133.02943	2.9
143.03485	7.4
159.03009	3.1
161.04549	33.5
163.06137	6.5
202.47025	2.8
205.07217	5.6
253.46333	2.7
285.52512	2.7
289.21777	3.2
383.24316	40.1
421.25809	4.3
468.88138	2.8
492.20032	4.4
529.30194	100.0
530.30701	9.4
545.34814	6.7
571.36493	10.3
589.27881	17.3
589.38202	17.0
590.28906	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	589.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21301	2.2
55.01873	7.5
57.03447	6.5
58.00591	4.9
59.01379	99.7
61.98834	16.6
70.28928	8.3
71.01386	42.3
71.05025	6.5
72.99297	5.8
73.02942	15.5
75.00888	3.0
80.10480	2.5
83.01387	17.9
85.02945	31.4
87.00873	4.9
89.02460	9.0
93.53943	2.4
95.01381	3.9
96.96960	6.2
97.06618	4.0
99.00883	7.7
99.92545	6.2
101.02443	67.8
103.04047	4.5
107.23840	2.5
113.02439	12.3
115.92063	11.9
116.92854	4.1
123.08173	3.8
125.02477	3.4
127.05442	2.3
131.03497	100.0
143.03499	2.8
159.03021	3.0
161.04546	15.0
163.06108	4.8
230.45679	3.0
289.21695	8.6
383.24313	20.4
405.22653	3.7
421.25800	7.3
439.32022	7.4
457.33011	3.3
492.20035	6.1
505.31552	3.4
529.30127	44.4
545.34668	4.6
553.35571	9.7
557.38519	4.8
571.36285	32.9
588.56311	2.8
589.29523	9.3
589.37408	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84040	1.3
58.00590	3.1
59.01376	100.0
60.52161	1.3
61.98829	17.6
70.94701	2.9
71.01376	35.9
71.04990	2.5
72.05360	1.9
72.99298	4.6
73.02946	21.2
75.00893	1.9
83.01395	4.2
84.82615	1.5
85.02942	14.4
86.00067	1.5
87.00884	11.6
87.04514	4.9
89.02441	30.1
95.01433	1.7
97.95076	1.4
99.00859	2.0
101.02441	51.9
103.04009	17.0
113.02419	5.9
115.03998	6.3
115.92046	2.1
119.03487	15.9
125.02452	4.1
131.03529	10.8
136.53050	1.3
143.03513	11.4
145.05034	4.9
163.06113	74.9
164.06383	1.7
179.05516	2.1
205.07166	28.6
221.15366	1.8
229.17456	1.4
232.55966	1.7
244.30547	1.4
265.09280	5.5
439.86810	1.5
504.34134	5.9
529.30115	8.8
573.13806	1.6
589.30035	9.3
589.38031	7.1
590.32050	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	589.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60922	1.0
55.15897	1.0
59.01374	15.4
61.98828	13.1
64.14915	1.1
68.99814	12.7
71.01388	7.6
71.53358	2.1
72.99301	1.3
73.02927	1.3
78.95895	5.0
80.91663	1.1
83.01370	1.4
85.02926	2.6
89.02432	4.1
95.01363	1.3
97.02930	1.3
97.82306	1.0
99.00866	1.7
101.02424	4.9
109.02942	1.7
113.02423	1.7
119.03477	1.6
119.05009	6.7
123.00869	1.2
125.02402	4.1
131.03465	4.0
133.02936	2.5
135.04468	2.9
137.02449	1.7
145.02989	2.5
149.02252	1.5
149.99586	1.2
151.00380	1.5
152.99573	1.8
159.04509	6.3
161.02435	5.4
163.03969	5.2
168.00558	3.3
169.01370	2.3
171.04414	1.6
172.05260	13.9
173.05919	2.8
174.03154	1.1
175.03970	3.9
177.03958	1.3
178.09256	1.1
179.03461	1.6
183.04402	3.4
184.05203	1.3
185.06062	2.6
186.03166	1.5
186.06868	1.8
187.03972	5.0
187.07632	97.7
188.07999	2.8
189.01912	2.2
189.05542	22.6
191.05389	1.1
199.03954	5.2
200.04735	7.5
201.05516	2.9
201.09111	3.0
202.06232	1.9
203.03378	2.2
204.04239	2.8
209.11751	1.7
211.07622	2.6
213.05519	3.1
213.09142	9.8
215.07111	24.3
225.11240	1.4
227.03476	8.3
228.04268	7.7
229.08679	12.3
231.06644	20.6
231.10106	1.7
245.04376	1.4
249.74002	1.2
257.08173	100.0
258.08417	3.0
273.07901	1.4
391.10379	1.6
471.25427	1.5
492.08881	2.5
492.19971	2.4
501.35791	6.3
545.23889	77.0
545.33630	2.4
546.23926	4.0
571.36053	1.2
589.16333	2.5
589.26361	51.7
589.35675	2.7
590.26489	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	589.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03445	6.8
59.01380	68.6
61.98814	1.9
68.99821	2.7
69.03449	17.5
70.74514	1.7
71.01382	41.5
72.99303	5.7
73.02958	4.1
75.00877	6.1
83.01392	6.6
85.02950	16.1
85.27782	1.7
87.00883	5.3
89.02448	30.8
95.01369	6.1
95.05042	1.8
97.02945	17.7
99.00879	15.3
99.04543	2.7
101.02435	18.5
107.05080	2.0
111.00886	10.8
111.04546	2.2
113.02428	13.2
117.03481	4.6
119.03519	8.8
119.05003	16.6
123.00906	3.6
125.02467	6.6
129.01947	35.8
133.02933	2.3
135.03004	12.1
135.04465	2.9
141.01930	11.3
145.02936	23.9
151.00352	3.5
159.02985	34.3
159.11765	1.9
161.02426	7.0
161.04590	2.8
161.13339	24.1
163.03990	12.1
168.00644	2.7
169.01433	8.6
177.04051	29.8
177.05557	2.8
179.03462	3.5
179.05571	5.8
187.07674	7.0
187.11282	23.8
205.12329	39.3
206.12738	2.2
229.12326	5.4
231.10286	3.6
249.11272	26.6
257.08179	5.3
273.07809	2.5
286.22171	1.8
317.10321	2.6
318.78687	1.8
347.15149	2.8
365.16083	2.2
409.14993	100.0
410.15457	4.8
411.16623	3.1
429.17737	7.9
443.19113	10.8
501.14249	6.1
571.20306	4.9
589.21954	66.1
590.22229	6.4
592.85358	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	589.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	10.2
59.01104	4.9
59.01383	62.2
60.57436	3.7
61.98830	14.8
69.37963	24.7
71.01381	44.3
72.99306	6.8
73.02942	6.3
75.00874	7.0
81.03462	6.9
82.27021	2.7
83.01398	27.4
85.02950	13.0
87.00847	5.1
89.02447	25.7
93.03419	6.0
95.01418	6.4
96.96007	10.0
97.02976	3.5
99.00875	5.5
99.04527	6.1
101.02457	16.1
107.01395	7.1
111.00880	42.0
112.41813	3.3
113.02426	14.9
117.03439	4.3
119.03476	6.0
119.05008	13.4
121.02946	3.5
123.00854	5.7
123.04523	12.8
124.01688	7.0
125.02443	67.1
126.02782	13.0
127.02937	6.8
127.05564	2.6
129.01927	29.9
131.32736	2.9
133.02869	3.5
135.02983	6.5
135.04536	9.0
135.14183	2.7
137.02423	5.9
139.00359	3.4
145.02945	11.8
147.02986	21.5
149.02408	3.4
149.99579	5.0
151.00375	7.2
161.02423	18.7
161.04614	3.2
161.13358	38.7
163.03966	8.1
163.89551	2.8
167.03482	31.8
168.00603	9.1
168.03777	9.2
169.01416	44.2
169.03983	4.4
170.01747	12.1
171.01889	6.9
173.76056	2.8
177.04059	28.1
179.03432	7.7
187.11322	23.0
203.03514	3.5
205.12320	38.6
211.02499	4.6
215.07182	3.4
229.12201	4.3
247.06155	6.1
249.11270	13.1
273.07697	8.5
274.08203	4.1
275.08246	8.3
313.05676	13.9
314.06003	12.3
315.06207	13.9
317.13901	7.8
331.06723	6.0
335.14911	6.0
365.15845	4.1
379.14099	15.0
379.18246	4.1
383.07608	6.9
409.14984	100.0
410.15405	8.3
413.53391	3.3
427.06677	6.1
440.09061	13.9
441.09436	27.9
559.20074	5.1
589.14435	68.4
589.21558	76.7
590.14111	3.9
590.23138	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83830	1.1
53.07475	1.1
57.03437	1.0
59.01374	9.2
61.98828	1.8
71.01379	5.8
71.52648	1.6
71.52997	1.3
73.02959	2.2
75.00864	3.4
85.02995	1.3
87.00874	1.2
89.02451	3.5
96.96018	2.4
99.00880	1.6
101.02428	4.1
101.38911	1.0
103.82765	1.1
107.05038	1.0
111.00856	1.4
112.63988	1.1
113.02442	2.0
117.01967	1.3
117.03468	14.9
119.05027	100.0
120.05358	2.1
120.40057	1.1
121.02966	1.2
125.02410	4.3
129.01944	2.6
133.02939	4.5
133.61848	1.2
134.03740	2.4
135.02986	9.1
135.04509	12.1
137.02399	2.6
145.02950	76.1
146.03329	2.8
149.02434	1.6
149.06090	1.1
150.03156	2.8
159.03001	1.4
160.01712	1.8
161.02434	18.6
161.13383	2.1
162.02777	1.2
163.00351	3.5
163.04005	59.4
164.04408	1.8
165.01927	1.6
165.05508	1.7
167.07133	10.2
169.01404	3.1
175.03941	2.6
177.05576	1.1
179.03452	4.0
187.04005	2.7
187.11324	1.7
193.05022	2.7
195.06557	1.3
203.07179	2.0
205.12321	2.8
221.04599	2.1
232.03706	1.2
249.11322	2.3
252.54730	1.0
261.79501	1.2
295.48761	1.1
307.08224	37.0
308.08572	1.1
323.07751	9.2
327.04999	1.9
409.14688	2.5
418.11209	1.0
443.11737	2.9
450.54004	1.2
453.08145	3.6
471.12943	76.0
472.13815	5.1
589.14825	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	589.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33899	0.6
57.03448	1.8
58.00594	1.2
58.35987	0.6
59.01379	17.6
60.99354	0.6
61.98808	1.6
68.99818	0.7
69.03454	3.2
69.43243	4.6
71.01380	12.7
72.99312	1.0
73.02943	1.5
75.00874	1.4
83.01386	1.9
83.99080	0.6
85.02953	5.6
87.00874	1.8
89.02450	7.9
93.03442	1.0
95.01409	1.1
95.31683	0.6
96.95994	1.8
97.02945	3.1
99.00869	2.0
99.04508	1.7
99.98372	0.8
101.02427	5.5
111.00874	3.1
113.02454	4.1
117.03464	14.2
119.03563	3.1
119.05023	100.0
120.05373	2.1
121.02960	4.5
123.00937	0.8
125.02444	3.0
129.01932	6.5
132.02055	0.7
133.02942	0.9
134.03676	0.8
135.00839	0.7
135.03029	3.9
135.04485	0.9
137.02440	0.9
141.01959	4.1
143.03506	0.8
145.02950	71.2
146.03316	1.5
149.02455	1.1
150.03186	2.4
153.01950	1.2
159.03026	5.5
159.04219	1.1
161.02432	2.0
161.04655	1.0
161.05971	1.4
161.13338	6.3
161.51352	0.6
163.04005	58.6
164.04422	2.1
164.62773	0.6
165.05568	3.0
169.01419	3.9
169.02647	0.6
177.04068	5.4
177.83185	0.6
179.05606	1.0
187.04059	0.8
187.07625	1.3
187.11285	6.0
195.06628	1.9
197.08173	1.1
205.04965	2.0
205.12321	9.4
229.12373	1.3
231.10315	1.5
249.11281	6.2
265.07318	1.2
281.06662	1.0
307.08224	35.9
308.08670	1.4
347.14923	0.7
357.15411	2.7
389.25381	0.8
391.14246	0.9
409.15039	22.3
410.15366	1.4
411.16791	1.1
429.17694	2.1
443.11722	4.3
471.12943	55.0
472.13065	3.7
501.14148	1.0
505.20804	6.5
545.13049	0.9
546.74945	1.0
553.22919	3.3
571.20343	1.9
589.15045	6.9
589.23285	10.1
590.14948	0.9
603.35687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03483	0.5
61.98828	5.7
67.48689	0.5
69.34660	1.8
69.35092	2.2
78.95908	1.4
96.96962	2.5
99.00880	1.7
99.92584	12.3
100.92741	0.6
100.93371	5.4
101.64632	0.5
112.98533	0.5
115.92080	100.0
116.92094	2.2
116.92873	6.2
132.92317	0.7
168.77049	0.5
197.44666	0.5
216.98520	0.5
222.00795	0.5
421.86719	0.5
461.41345	0.5
487.34454	2.9
569.25781	1.4
587.26825	58.3
588.27264	6.1
601.24780	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35081	0.4
55.80111	0.4
59.01368	0.7
61.98819	0.9
71.54175	0.5
72.99304	1.8
99.00842	0.8
111.52772	0.4
115.00343	0.6
115.92066	1.7
116.92866	0.5
125.02494	0.4
158.53697	0.4
160.11021	0.4
185.39548	0.4
201.11626	0.4
234.91360	0.4
247.73866	0.4
277.21637	0.6
587.39514	100.0
588.39832	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	587.3954
Annotation	Argentinic acid B
Peak:m/z	Relative Intensity
57.01682	0.1
59.01378	1.2
61.98818	0.2
69.95609	0.7
71.01375	0.5
85.02911	0.2
89.02437	0.3
96.96027	0.2
98.19951	0.2
101.02444	0.3
131.03517	0.4
135.03049	0.2
142.85716	0.1
144.75682	0.2
261.96329	0.2
397.04022	0.2
497.96347	0.2
559.30676	0.2
587.39478	100.0
588.39856	8.6
588.49365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32888	0.2
57.67802	0.3
59.01386	0.5
61.98828	100.0
70.95039	0.3
74.27137	0.3
88.46024	0.3
107.66873	0.3
116.80404	0.3
125.02435	0.8
135.02997	0.4
137.02440	0.3
137.48083	0.3
137.92236	0.3
149.02454	0.3
169.01457	0.7
203.21802	0.2
206.08200	0.5
223.06151	0.8
242.59776	0.3
260.80975	0.3
300.99908	0.3
397.42523	0.3
525.15881	0.4
555.31262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03444	5.6
58.03711	0.6
59.01380	3.2
61.98836	6.3
69.03455	1.6
69.33923	5.8
71.01391	5.0
73.02969	1.3
79.01891	0.8
81.03461	7.7
83.01395	4.8
85.02950	1.1
88.98799	0.9
89.02467	0.9
93.03455	3.2
95.01342	1.8
95.05030	1.4
97.02945	2.1
99.04514	0.9
101.02448	1.3
107.01385	8.3
111.00888	1.5
113.02454	1.9
119.05024	9.7
121.02984	1.6
123.00885	8.1
123.04523	20.6
123.48781	0.7
124.01656	2.0
125.02449	100.0
126.02795	1.2
133.02898	1.0
135.04536	1.6
137.02454	1.2
139.00368	3.4
139.04077	0.8
140.01172	1.9
141.01913	1.1
145.03053	0.8
149.02449	5.1
150.03235	2.2
151.00366	8.5
153.01910	1.1
161.02399	3.6
161.04594	0.9
163.03963	1.8
165.05544	4.5
166.06364	1.5
167.03493	53.6
168.00597	3.5
169.01421	81.8
170.01762	1.7
175.03893	1.2
179.03477	4.5
181.08723	1.4
183.02963	0.9
189.05540	3.6
191.03502	2.0
193.01378	1.2
209.00922	0.7
211.02469	8.5
229.08687	0.7
241.03532	3.3
253.03499	0.8
271.04532	5.9
273.07687	27.8
274.08163	1.7
275.01965	0.9
276.02377	0.9
277.02725	0.8
285.04047	1.2
300.99802	2.4
302.00259	2.6
303.00476	2.4
313.05649	56.8
314.06003	2.6
329.14063	0.9
435.09613	2.4
439.08792	61.5
440.09201	2.8
587.14130	91.5
588.14331	6.8
604.19769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2136
Annotation	Ixerin U
Peak:m/z	Relative Intensity
59.01374	7.2
61.98831	5.4
71.01382	7.0
71.53607	0.8
71.85223	0.7
73.02932	1.3
75.00886	1.3
83.01414	0.7
85.02952	2.0
89.02452	2.2
93.03436	0.9
95.01404	0.7
101.02442	3.1
105.03420	0.7
107.05054	1.2
109.02948	2.6
110.21201	0.6
111.04594	0.5
113.02438	2.2
117.03462	1.4
121.02946	1.2
122.03733	1.9
123.00900	1.4
123.04530	1.0
125.02465	4.2
125.06097	0.7
132.02151	0.8
133.02951	24.9
134.03723	2.6
135.02910	2.1
135.04524	65.5
137.02444	3.3
139.07664	0.9
145.02940	1.1
147.04562	1.4
148.05292	1.7
149.02383	0.9
149.06088	7.1
150.03236	2.2
151.00456	1.0
151.07678	1.6
152.08284	1.0
159.04509	0.8
160.01572	0.8
161.02437	100.0
161.09656	0.7
162.02805	2.2
162.36972	0.6
163.03981	1.5
163.07614	0.6
165.05573	2.5
167.03464	1.2
168.00493	0.9
169.01474	3.7
169.02689	0.6
174.03212	0.8
175.04001	2.3
177.02003	1.4
177.04085	1.3
177.05560	17.4
178.02728	1.1
179.03488	72.5
180.03998	1.7
189.01933	1.3
191.03583	0.8
195.06592	1.5
201.05609	0.7
201.12845	1.0
203.03589	3.0
203.10701	1.1
204.11549	2.4
217.01480	0.6
219.02980	0.6
219.13910	3.3
220.03606	1.0
221.04543	26.4
222.04936	0.8
231.65262	0.8
233.04536	1.4
251.05588	26.3
263.05588	1.5
263.12958	2.0
272.38504	0.6
273.07803	1.0
280.05844	1.1
281.06641	33.1
289.14594	1.0
305.06500	0.8
323.07693	91.4
324.07990	3.0
341.08801	34.3
342.09137	2.1
425.08676	1.3
435.10800	2.7
448.48453	0.7
469.20633	1.1
472.89139	0.7
527.18945	0.9
539.23309	0.8
587.13531	0.9
587.21545	11.4
587.30231	1.2
588.22223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.7
59.01377	4.4
61.98835	11.6
65.00304	1.3
67.01871	1.4
71.01375	2.3
71.53546	1.9
72.99295	1.5
81.03448	11.1
83.01414	3.1
85.02948	1.3
87.59240	1.4
93.03465	10.1
95.01384	2.4
95.05063	1.5
97.02898	1.6
99.04493	1.9
107.01380	2.5
109.02942	5.0
111.04500	1.8
119.03354	1.4
119.05042	13.6
119.23234	1.2
121.02942	11.3
122.03741	7.9
123.00893	15.8
123.04533	32.3
125.02444	65.8
133.02965	1.8
139.00369	4.2
141.01906	1.5
145.02939	5.7
147.04498	2.3
149.02438	32.1
150.03227	44.6
151.00363	21.3
151.03851	2.1
161.02437	5.5
163.04010	1.8
164.04770	4.4
165.05574	53.5
166.06343	30.6
167.03494	56.5
167.07109	3.5
169.01422	21.3
174.86929	1.4
177.01947	9.8
179.03603	6.6
180.04198	4.2
181.05037	1.3
181.08711	24.6
187.07550	1.7
189.01895	12.6
189.05586	1.9
190.02650	2.9
191.03465	4.6
195.06613	31.4
196.07098	2.3
196.64813	1.5
203.03523	2.2
216.00769	2.6
217.01418	10.7
219.03006	3.5
227.03575	1.6
229.08672	4.4
231.02997	5.0
233.04593	3.2
255.02937	2.3
273.07675	59.2
274.08127	3.0
284.03281	1.5
285.03940	1.8
297.07663	1.5
299.05539	11.1
311.05533	1.7
313.05801	2.0
315.73965	1.6
341.06656	25.2
357.13351	7.4
365.80872	1.4
381.09726	4.3
425.08768	100.0
426.09018	5.1
435.10785	27.9
436.11496	1.9
449.34952	1.5
451.10110	2.6
531.91516	1.5
539.22791	32.4
587.13770	24.2
588.13507	1.5
592.49945	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	587.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54578	0.6
57.03437	0.8
57.19059	0.5
59.01381	2.8
61.98830	4.9
66.52823	0.5
67.01900	0.8
69.03468	1.2
70.39131	1.0
70.39483	1.0
71.01395	3.0
73.02964	0.6
75.00873	0.6
79.01904	0.7
80.65560	0.5
83.01385	1.1
85.02949	1.8
87.00903	1.4
88.98795	1.6
89.02444	0.8
93.03439	0.5
95.01389	1.0
96.96002	6.6
97.02977	1.4
98.09707	0.5
98.19984	0.7
98.95593	3.6
98.96463	0.7
99.92608	0.6
100.84273	0.5
101.02462	1.3
107.01385	10.6
109.02934	1.1
111.00885	0.9
113.02460	1.2
115.00391	0.9
117.03465	0.8
119.05029	3.2
121.02958	9.6
122.03740	1.3
123.00888	3.8
123.04540	1.5
124.01657	1.7
125.02444	75.6
126.02773	1.5
133.02960	1.5
134.03783	0.8
135.04515	2.7
137.02449	1.4
139.00369	2.1
140.01164	1.3
143.84998	0.5
145.02895	3.2
149.02498	0.7
150.03142	0.6
151.00378	2.6
151.03966	0.6
151.65555	0.5
152.00911	0.5
153.01888	0.9
155.03513	0.5
161.02457	3.9
163.04024	2.9
165.01917	2.4
165.05635	0.7
167.03517	1.1
168.00635	2.6
169.01419	100.0
170.01721	2.1
172.05307	0.7
175.02480	1.3
175.03986	0.6
179.03467	2.0
180.04253	0.5
181.22766	0.5
187.07678	2.7
189.05548	1.2
191.03505	0.8
193.01385	1.4
195.06674	1.0
199.03935	0.5
207.03004	0.8
211.02493	2.9
215.07187	1.7
219.02950	0.7
227.03401	0.9
231.06650	1.1
257.08154	2.5
260.32776	0.6
263.01935	0.7
273.07394	0.7
285.04108	1.2
300.99997	0.9
302.03622	0.9
303.00510	0.7
305.06598	1.5
313.05667	1.3
365.10318	2.6
375.07217	2.3
389.17938	0.6
417.08023	2.6
435.09207	12.6
461.14618	0.7
465.06622	1.2
468.03308	0.7
471.12885	1.5
497.16589	0.6
499.15997	3.5
538.22351	0.9
551.24127	0.7
569.03619	2.2
569.14624	0.8
587.10284	41.9
588.10632	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	587.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69562	0.3
50.72679	0.3
53.61301	0.3
59.01384	0.5
61.98829	26.8
63.12252	0.2
69.03458	1.2
69.28471	2.7
71.01386	0.4
79.01895	0.6
81.03468	0.7
83.01382	0.3
90.56098	0.3
95.01370	0.3
97.02957	1.3
107.01388	9.7
111.00928	0.3
121.02953	2.1
123.00871	0.9
124.01682	0.3
125.02443	56.5
126.02818	1.0
139.00366	0.8
150.03197	0.4
151.00369	1.0
161.02457	0.8
169.01418	100.0
170.01755	1.6
175.03983	0.5
179.03470	0.4
189.01915	0.3
214.81311	0.3
299.05603	0.4
337.09146	0.3
341.06555	0.8
341.54413	0.3
345.13547	0.7
417.08136	2.3
418.46878	0.3
425.08737	1.1
435.09799	1.5
475.51495	0.3
587.10071	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82688	0.1
59.01385	0.2
61.98829	1.8
64.00474	0.1
65.00325	0.2
65.83354	0.1
67.01881	0.3
67.57892	0.1
69.03451	1.1
71.01381	0.2
71.02120	0.4
79.01908	0.5
81.03449	0.6
83.01386	0.4
89.20702	0.2
95.01387	0.5
97.02944	1.0
107.01386	10.2
108.01674	0.2
119.05035	0.2
121.02961	2.2
123.00854	1.3
123.04516	0.2
124.01665	0.4
125.02441	56.0
126.02774	0.8
135.04504	0.2
139.00351	0.3
141.01891	0.2
141.75743	0.2
145.02953	0.4
151.00366	0.7
161.02405	0.4
163.04047	0.2
168.00577	0.3
169.01411	100.0
170.01785	2.0
175.02318	0.1
177.01901	0.2
179.03467	0.2
189.01926	0.6
191.03384	0.3
203.03427	0.1
211.02550	0.3
217.01320	0.4
219.02985	0.2
280.55402	0.1
284.84454	0.1
341.06689	1.0
417.08209	3.1
435.10034	1.7
455.77982	0.2
471.12976	0.2
551.24677	0.2
587.10498	3.2
588.10925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
59.01379	6.4
61.98827	6.1
65.00311	5.0
67.01880	1.5
69.03432	1.4
69.68570	1.9
69.68979	5.0
71.01381	5.7
72.99297	1.4
79.01913	1.1
83.01375	5.3
85.02934	2.5
88.98784	2.1
89.02477	1.6
93.03454	1.3
95.01386	3.7
96.95997	2.1
97.02952	2.1
101.02437	3.8
107.01395	18.9
109.02950	3.4
110.00153	1.3
111.00871	3.8
113.02431	1.7
119.05009	1.5
121.02955	7.5
123.00885	14.1
123.04556	1.3
124.01642	4.7
125.02442	92.4
127.00374	1.3
133.03001	1.3
135.04506	3.0
136.98877	1.6
137.02448	4.3
139.00381	7.0
140.01132	5.1
141.01901	1.1
145.02890	1.3
147.00999	0.9
147.04539	1.0
149.02431	2.3
149.04311	1.2
151.00360	30.1
151.03999	3.8
152.01131	3.0
153.01898	5.0
161.02417	4.1
163.00435	1.2
166.99849	1.9
167.03508	1.1
168.00642	11.4
169.01419	100.0
170.01706	1.4
175.03992	4.1
177.01904	4.9
178.99843	6.8
179.03508	2.6
189.05624	1.2
191.03404	1.5
193.01376	4.7
193.05112	1.4
199.03984	4.7
201.11447	1.1
209.17529	1.1
211.02473	19.7
213.05586	1.6
217.05031	3.3
223.02385	1.5
232.65675	1.1
241.03299	2.0
241.05388	1.2
255.02853	1.3
259.06024	2.2
271.04507	12.3
283.04636	5.6
284.03143	2.6
285.04010	31.6
286.04504	1.6
295.04654	3.9
301.05728	8.3
303.05130	14.1
313.05621	19.7
365.10367	1.4
382.10562	1.6
383.11591	2.1
383.85364	1.1
389.25458	6.8
401.21652	1.2
417.08282	1.4
435.09274	16.0
436.09528	1.2
461.07001	2.7
465.06711	74.6
466.06940	5.1
489.10260	1.9
497.16766	5.9
549.22839	2.1
587.10382	71.9
588.10675	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	585.352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98828	100.0
65.49886	0.2
70.08836	0.6
70.09164	0.2
72.54893	0.2
78.95895	1.3
152.99640	0.9
157.95869	0.2
171.10318	0.4
190.97186	0.2
253.87566	0.2
269.24829	0.5
277.21805	0.4
283.26456	1.7
284.26917	0.5
285.27280	0.3
369.71570	0.2
508.33881	1.0
511.35172	0.7
585.30310	0.4
585.38403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46455	0.5
52.57490	0.4
59.01381	0.7
61.98829	100.0
63.02405	0.7
63.99244	0.7
65.00332	1.4
65.42835	0.4
69.36327	1.5
69.36754	2.7
71.57774	0.4
83.01392	0.9
90.32025	0.4
101.42812	0.4
107.01403	1.7
108.01707	0.8
109.03008	0.9
121.02949	2.4
122.03321	0.8
123.00842	0.6
125.02467	1.7
151.00375	10.0
152.00696	3.7
153.01958	0.7
161.02458	1.0
163.00471	0.8
163.04015	0.6
169.01537	0.5
178.99860	4.2
180.00185	1.7
229.05124	0.6
255.02966	0.8
256.03418	0.6
284.02856	0.5
285.03940	0.6
301.03503	17.7
302.03851	20.6
303.04382	1.5
326.46930	0.4
332.10376	0.5
376.22626	0.5
420.79092	0.5
450.16867	0.7
569.18805	0.7
586.10059	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	585.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32455	0.8
57.32230	0.8
59.01379	4.0
61.98829	43.3
64.28197	0.8
64.65755	0.9
71.01373	1.0
71.05014	1.2
71.53002	1.0
72.99290	0.8
78.91864	0.9
78.95903	11.7
80.91676	1.9
85.02905	1.2
89.42033	0.7
96.95987	3.0
96.96970	15.3
99.92581	24.8
100.93355	4.2
113.92606	1.1
115.92077	100.0
116.92099	2.2
116.92857	18.3
121.02966	1.2
132.92265	0.9
132.96217	0.8
137.95261	0.7
165.12825	1.4
183.13918	4.7
183.15628	0.7
213.14876	2.4
227.12831	3.0
301.03238	0.9
320.99609	1.0
322.60919	0.9
371.17221	1.0
475.16077	0.9
485.32523	2.4
487.33707	1.3
489.19284	3.0
541.35931	1.2
567.23907	2.6
585.25146	92.8
585.32861	5.3
586.25513	11.2
599.23242	4.0
612.71356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
57.03440	5.4
58.00587	5.1
59.01377	49.0
61.98541	1.8
61.98834	27.6
67.01882	1.5
69.03453	2.4
69.92692	7.3
71.01017	2.0
71.01382	32.4
71.05043	1.7
72.99295	3.1
73.02936	5.9
75.00891	1.7
83.01381	4.6
83.05038	1.7
85.02950	8.5
87.00869	14.7
88.98805	4.7
89.02438	25.3
93.03471	4.6
95.01389	5.2
101.02435	19.0
107.01393	2.0
108.02161	4.3
111.08143	6.3
113.02456	17.3
117.03455	12.4
119.03500	11.9
119.04993	5.3
121.02943	7.1
122.03742	4.6
123.00888	3.2
123.04519	5.7
124.01608	1.9
125.02471	13.0
133.02939	10.0
134.03656	2.4
135.04489	6.8
137.02406	4.9
139.04013	4.5
143.03476	4.4
145.02950	56.8
146.03743	11.3
147.04553	10.5
149.02419	6.1
150.03192	6.4
151.00377	3.1
151.03908	1.7
152.01122	1.9
161.02435	54.8
161.04553	5.3
161.06055	2.1
162.03221	58.4
162.04597	3.0
163.04005	17.8
164.04764	1.9
165.05545	7.2
165.12851	54.1
167.03465	4.0
167.14433	2.2
169.01404	9.9
172.91689	1.8
177.05544	18.9
179.03464	2.4
179.03996	2.4
179.05585	21.0
180.04277	20.3
181.05026	1.6
181.12328	2.4
183.13893	100.0
184.14159	2.4
187.07748	3.1
189.01958	2.3
191.05577	4.2
191.07291	1.9
193.05020	2.5
195.06607	42.0
196.07007	2.2
197.15436	19.5
207.13911	9.4
209.11798	9.4
219.06627	4.6
225.14946	7.2
227.12871	86.1
251.12840	9.7
269.13885	6.3
299.14944	3.6
300.02444	2.2
301.00012	2.0
301.03223	3.0
329.16025	13.9
339.10849	7.3
343.10324	3.2
357.11887	69.3
358.12317	2.4
389.18091	5.5
403.10049	4.0
417.08264	2.7
523.21777	14.5
530.32141	2.1
547.21759	3.0
549.23694	3.0
567.24457	80.9
568.24475	5.0
585.11694	3.5
585.25464	81.7
586.25500	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	585.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08532	0.3
59.01371	0.5
61.98828	5.8
78.95904	1.3
96.96970	1.7
98.97386	0.4
99.92583	12.1
100.93365	4.0
111.15860	0.5
113.92596	0.7
115.92074	100.0
116.92083	2.2
116.92865	4.7
125.09747	0.4
132.92311	0.6
145.02899	0.8
164.96761	0.4
241.35895	0.4
357.07104	0.4
400.26056	0.4
467.31467	0.6
485.32260	2.0
487.33768	1.3
567.24463	0.7
585.25201	59.7
586.26202	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	585.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81803	0.4
59.01384	0.9
61.98829	3.0
68.99563	0.6
71.01413	0.5
76.86654	0.5
87.57242	0.4
93.03445	4.1
105.03476	0.6
112.98563	0.9
113.16224	0.5
119.05022	2.7
121.02955	3.8
122.03738	14.3
123.04556	0.6
124.01636	0.7
125.02454	2.0
133.02982	1.4
136.01675	1.2
137.02419	0.7
145.02939	0.5
149.02434	16.6
150.03223	89.0
151.03604	1.7
155.03474	0.5
161.02512	0.6
163.04031	2.2
164.04790	3.5
165.05562	100.0
166.05907	2.0
167.03508	1.1
169.01445	0.7
179.03539	0.6
180.04265	5.6
187.92987	0.5
195.06618	75.2
196.07001	1.9
234.22906	0.5
242.09523	1.1
255.06621	1.0
257.11752	0.5
270.09027	1.3
285.04102	0.9
285.11249	2.0
286.04297	0.9
286.08493	0.6
287.04715	0.6
298.08566	1.0
299.09195	1.6
310.08371	0.7
311.09381	0.6
314.07883	1.7
319.08267	1.2
325.10822	0.7
326.07898	1.0
329.10300	4.7
341.10278	5.7
344.12637	5.7
356.12646	2.1
359.14987	20.2
360.15451	0.7
371.14987	15.6
372.15280	0.8
385.12878	1.4
507.19910	0.8
537.21472	2.1
549.15802	0.8
585.23102	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	585.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79718	0.9
59.59388	1.0
61.52151	1.0
77.52220	0.9
93.03461	5.0
104.79429	1.3
105.03483	1.1
106.97304	1.1
117.46438	1.0
121.02945	5.5
122.03738	15.8
133.02968	1.8
136.01630	1.9
145.90210	1.1
148.01656	1.3
149.02432	40.2
150.03221	99.3
151.03568	2.9
164.04825	7.3
165.05562	100.0
166.05870	1.7
179.07109	1.2
180.04242	6.3
195.06621	64.1
196.06911	2.2
270.08853	2.3
299.09079	1.5
299.12747	1.1
313.10696	1.3
326.07996	1.3
327.12344	3.7
328.13031	8.8
329.10242	7.9
330.11008	1.5
341.10306	8.6
343.15234	1.8
344.12613	7.6
345.13345	1.4
356.12747	2.4
359.14969	19.8
360.15634	1.1
371.14987	16.2
372.15088	1.6
408.39282	1.1
411.34323	1.1
461.15674	1.4
463.17389	1.2
488.32904	1.1
492.17865	1.6
507.20242	10.5
508.20221	1.5
537.21252	49.8
538.21191	5.2
585.23645	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	17.4
61.98812	3.5
70.09837	13.1
71.01389	12.7
71.07142	3.7
73.02950	4.2
75.00878	4.3
85.02958	6.9
87.00859	6.2
88.11514	3.6
89.02444	6.9
93.03492	5.8
96.96004	3.5
101.02439	10.3
113.02422	4.4
119.05000	3.6
125.02424	4.3
133.02942	3.4
135.03012	5.2
135.04518	11.2
149.02504	4.1
149.06053	8.9
150.03262	8.1
160.29709	3.3
161.02400	13.3
163.04015	8.5
164.04768	3.9
165.05547	11.9
167.07108	12.4
173.02411	3.2
177.04074	8.6
177.05492	4.5
178.02695	3.5
179.07159	10.1
181.05026	3.6
191.78300	2.9
195.06613	6.2
261.00375	8.9
265.05002	15.2
277.05118	5.5
293.04492	13.3
295.06149	13.8
321.04013	8.7
322.04709	19.6
323.05634	5.5
343.10080	3.9
350.04074	18.2
351.05026	100.0
354.07306	3.1
363.14334	4.3
387.20282	5.7
433.13388	6.4
469.11450	10.3
496.04236	3.7
497.10657	11.2
505.13113	3.7
585.08801	8.0
585.23499	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.9
61.98831	22.1
69.23874	8.9
71.01370	1.4
88.98803	2.5
91.95473	1.0
92.39805	1.2
93.03455	4.2
96.96018	2.5
113.02509	1.1
121.02940	5.7
122.03730	14.7
123.00870	1.7
124.01637	1.5
125.02429	3.9
133.02969	3.5
135.04485	3.3
136.01648	1.6
137.02435	3.6
139.03996	3.2
149.02446	24.5
150.03221	93.0
151.00345	1.9
161.02478	7.7
163.04005	1.8
164.04753	4.7
165.05563	100.0
166.05894	2.3
167.03284	1.2
169.01442	5.1
180.04356	5.9
191.05594	2.4
195.06618	71.3
196.07045	3.4
270.08911	1.4
298.08429	1.9
299.09433	1.5
314.07770	1.4
327.12161	1.8
328.12985	2.3
329.10202	4.8
341.10077	4.9
344.12692	6.4
345.13211	1.3
356.12634	1.3
359.14966	26.6
371.14935	13.2
454.73242	1.2
507.20303	7.0
508.20273	1.2
537.21265	16.5
538.21313	1.4
549.23450	3.5
553.03662	1.2
585.24304	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	585.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49294	0.7
57.21077	0.7
63.65124	0.7
69.89556	3.6
69.89931	1.5
72.16685	0.8
83.05021	1.1
83.08365	0.6
87.00877	100.0
90.31593	0.8
91.24144	0.8
93.03435	5.3
109.02953	1.3
111.04514	11.1
113.80490	0.7
137.02444	2.8
155.03497	0.9
243.05077	17.7
318.07132	0.8
321.93222	0.8
406.36703	0.8
585.23590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
61.20598	0.5
70.51751	1.1
70.52113	1.3
71.75977	0.5
79.22556	0.5
83.05028	1.8
87.00876	100.0
87.62029	0.5
88.01213	0.8
93.03450	3.7
103.60806	0.6
105.22628	0.5
109.02950	1.7
111.04518	10.7
137.02492	1.3
138.27159	0.5
139.04086	0.5
155.03511	1.0
155.89709	0.5
177.93469	0.6
178.55132	0.5
243.05081	14.2
379.26367	0.7
410.29523	0.6
607.64960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.5
61.98816	4.4
71.01389	11.4
71.52571	1.5
72.99311	1.6
75.00866	3.5
79.95741	3.9
82.03769	1.3
85.02956	3.5
86.26397	1.2
87.00861	2.0
88.98801	3.0
89.02435	9.6
93.03442	1.8
95.01401	2.0
96.96016	2.4
101.02422	6.8
113.02488	2.8
117.03511	1.4
117.92943	1.3
119.03545	3.6
119.05027	86.0
125.02428	3.7
133.02957	17.9
135.02969	4.3
135.04517	15.7
137.02361	1.4
145.03006	1.9
151.04062	1.3
161.02438	65.9
163.04008	88.3
164.04399	2.0
165.05554	2.2
169.01404	3.8
177.04013	3.3
177.05453	2.4
179.03499	7.2
179.07069	2.1
181.05069	23.1
182.05878	7.7
191.05661	1.4
195.06677	1.9
197.08179	7.1
199.00694	7.4
209.08211	7.8
215.00179	4.6
221.04451	1.3
223.06143	1.5
254.64944	1.4
261.00684	4.4
280.10025	1.4
343.10327	55.6
344.10617	3.2
423.05927	8.7
423.16507	1.8
495.14908	2.6
505.13498	42.8
505.24899	1.7
506.13855	4.3
584.22864	3.1
585.09192	100.0
585.22729	11.0
586.09650	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03514	2.4
59.01439	2.7
61.04335	0.5
61.98532	1.0
61.98890	6.5
69.58798	3.4
71.01460	1.7
73.03013	0.7
75.00925	1.2
79.95800	1.4
85.02985	0.9
85.17030	0.7
88.98902	2.0
89.02523	1.0
93.03555	1.7
95.01464	1.7
96.95407	1.7
96.96009	44.0
98.19814	1.1
101.02505	0.7
107.01438	1.3
108.02263	0.7
109.03018	1.3
111.00960	1.0
115.05724	0.5
115.53769	0.5
116.11674	0.6
117.03510	1.2
119.05106	1.5
120.62622	0.5
121.02975	5.1
122.03800	0.6
123.00903	4.1
123.04594	0.7
124.01719	1.3
125.02441	22.1
129.03502	0.8
131.05093	1.0
133.02963	3.8
135.03044	0.9
135.04514	3.3
137.02431	2.6
139.00383	0.8
144.02353	0.5
145.02959	3.0
147.04591	2.5
149.02434	0.7
150.03305	2.3
151.00377	4.1
151.04079	2.4
152.01263	1.6
153.02007	1.2
157.02995	1.6
158.03752	0.7
159.04587	1.9
161.02420	8.8
163.04111	2.4
164.01234	0.6
165.01933	2.7
165.05634	1.0
166.06271	0.6
166.99951	0.7
169.01413	6.1
173.02390	2.6
173.06223	0.6
174.03143	0.7
175.03990	6.1
176.01210	0.7
177.01953	4.9
177.05528	0.7
178.33861	0.6
178.99879	2.7
179.03551	2.7
180.04398	1.2
185.02443	4.6
187.04021	0.9
189.01997	1.2
189.05626	1.7
189.38240	0.6
190.02858	0.6
191.03577	2.2
193.05171	0.7
195.06683	2.0
199.04047	1.8
200.04387	0.6
201.01921	5.5
203.03493	9.7
213.02016	2.4
215.07182	0.8
217.01550	0.8
217.05046	3.3
218.02261	0.6
219.03009	1.5
225.07729	1.0
229.01419	11.9
230.02077	1.4
231.02936	5.4
231.06566	0.6
241.05095	1.2
245.00868	2.5
247.02448	1.3
249.04060	5.4
249.67221	0.5
255.02992	1.0
257.00906	12.3
258.01697	5.8
259.05994	2.7
271.02524	1.9
272.83688	0.5
273.00369	0.6
274.01181	1.1
275.01956	49.6
276.02271	1.9
281.06711	0.9
283.04605	0.9
283.99628	2.8
284.02963	1.3
285.04041	7.4
299.99075	3.1
300.02652	2.5
300.99887	100.0
302.00235	3.9
303.05170	1.7
329.13943	0.9
364.80621	0.6
433.07562	1.0
459.09152	1.7
487.12289	2.0
522.20264	0.7
537.21362	2.5
549.23407	3.4
567.11414	5.0
585.08606	53.9
585.23077	2.5
586.08795	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	585.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21735	0.6
51.19433	0.8
55.68248	0.7
59.01435	3.3
61.98829	13.4
63.41993	0.7
69.42117	2.2
69.42522	3.5
71.01447	2.7
75.00917	1.5
82.59044	0.8
85.03010	1.3
87.00926	0.9
89.02541	0.8
90.28380	0.7
93.03482	1.2
95.01447	2.3
96.96009	5.0
99.24484	0.6
101.02503	0.9
107.01439	1.8
108.02217	1.2
109.03004	1.2
111.00916	1.0
116.92906	1.1
117.03513	1.7
119.05092	1.3
121.02953	4.0
123.00861	6.2
123.04720	0.8
125.02449	6.3
133.03030	2.5
135.03020	0.8
135.04498	4.2
136.32932	0.9
137.02527	1.3
139.00432	0.8
145.02977	4.1
147.04581	2.4
150.03336	2.0
151.00450	2.7
151.04039	1.0
152.01161	1.1
154.99963	1.0
157.02983	1.5
161.02443	9.0
161.03517	0.7
162.03175	1.4
163.04062	3.1
165.05598	1.5
166.99933	1.7
168.00671	0.9
169.01440	9.2
173.02431	3.5
175.02733	1.0
175.03926	3.9
177.01971	2.0
177.04109	1.0
177.05592	1.7
179.03592	3.2
185.02454	4.8
189.01961	1.2
190.02760	1.0
191.03551	2.6
198.07121	0.7
201.01921	6.9
202.02638	0.9
203.03517	6.9
213.01929	1.8
214.02904	0.8
219.03001	1.8
227.03539	1.0
229.01367	14.7
231.03027	4.1
241.05009	1.1
245.00899	1.8
247.02579	1.9
249.04025	1.6
255.02968	1.8
257.00894	14.9
257.03549	1.0
258.01578	3.9
259.59274	0.8
271.02298	1.5
271.09702	1.8
273.00458	1.1
274.01440	1.4
275.01974	46.0
276.02429	2.4
276.77524	0.9
281.06726	0.9
283.99680	4.1
299.99112	3.4
300.02774	4.4
300.99908	100.0
301.03287	5.8
302.00247	5.0
302.03241	1.1
406.17953	1.1
423.16373	0.9
433.07343	5.1
584.22119	1.5
585.08661	62.7
585.23615	5.0
586.09027	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	584.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45722	1.7
59.01376	8.2
61.98828	100.0
70.10559	7.1
71.01372	2.2
73.83524	1.7
78.95882	1.7
80.96530	5.6
90.11189	2.1
90.98838	1.7
98.20591	2.4
111.31148	1.6
112.82826	1.7
130.11653	1.8
172.21358	1.8
230.80826	1.9
584.32471	10.6
584.40063	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	585.0882
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
60.27726	0.3
61.98828	34.6
62.98524	0.3
63.02401	2.0
65.00320	3.4
65.53189	0.3
65.91705	0.3
69.26266	0.7
69.26669	2.2
71.01414	0.4
71.86207	0.3
83.01382	3.0
93.02871	0.3
93.03446	1.3
98.20589	0.7
107.01389	8.4
109.02952	3.1
119.01373	0.6
121.02954	8.5
123.00882	0.4
125.02439	1.6
133.02916	0.4
139.04037	0.8
149.02426	1.4
151.00360	36.2
152.00757	0.4
159.04500	0.6
161.02411	1.1
163.00377	2.6
164.01169	0.5
169.01379	1.3
175.03946	0.6
178.99864	14.7
183.04506	0.6
185.05994	0.6
187.03976	1.0
193.01414	0.7
199.04076	0.6
201.05560	0.8
211.03981	1.5
213.02031	0.4
227.03485	1.0
229.05046	1.5
239.03636	0.8
243.02821	0.8
245.04565	2.2
255.03003	2.9
257.04431	0.8
271.02460	1.0
272.03128	0.4
273.03973	2.3
283.02362	1.1
286.12576	0.4
300.02817	0.8
301.03510	100.0
302.03894	3.8
433.07666	1.2
585.08759	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	584.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83752	0.3
59.01370	0.3
61.98829	100.0
79.87291	0.3
87.92637	0.2
98.19907	1.3
100.83038	0.3
102.84633	0.3
109.02969	1.3
110.03281	0.4
121.02956	0.4
149.02478	0.3
151.00441	0.7
153.01967	0.8
154.02278	0.5
169.01450	0.3
175.15977	0.3
212.87346	0.3
251.39456	0.3
255.02989	0.7
256.03207	0.3
284.03442	0.6
285.03973	0.7
286.04510	0.4
301.03522	2.0
467.91135	0.3
584.11340	3.2
584.19940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19364	0.2
53.38820	0.2
57.13001	0.2
59.01370	0.3
61.98830	100.0
69.25055	1.7
73.64143	0.2
78.95908	1.0
96.96949	1.1
99.92587	0.3
100.09046	0.2
105.60677	0.2
115.92076	1.3
116.92862	0.3
150.90237	0.2
169.69370	0.2
183.13922	0.2
255.33694	0.2
309.43466	0.2
486.33148	0.2
543.85419	0.2
584.28448	0.5
585.25513	0.9
585.34039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
61.98830	100.0
71.53248	0.2
78.95905	0.9
80.63599	0.2
89.41784	0.2
142.85432	0.2
152.99590	0.3
175.41396	0.2
233.21422	0.2
248.76469	0.2
277.21826	0.2
281.24857	1.7
282.25330	0.6
283.25507	0.2
284.25601	0.2
357.73962	0.2
506.32401	1.0
508.33011	0.3
509.33582	0.4
583.18445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98831	100.0
65.00326	0.3
65.05313	0.2
71.01393	0.2
71.52936	0.3
83.01394	0.2
86.38287	0.2
107.01391	0.5
109.00910	0.2
112.94269	0.2
113.02054	0.2
117.90649	0.2
121.02960	0.4
125.02407	0.3
149.83490	0.2
151.00375	2.0
161.02452	0.4
164.36191	0.2
169.01416	0.4
171.96396	0.2
178.99866	1.0
199.04016	0.2
223.34914	0.3
226.97975	0.2
244.42023	0.2
301.00177	0.4
301.03488	5.7
301.67526	0.2
584.23438	0.5
585.09741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67325	0.2
55.70881	0.2
61.98828	100.0
69.39436	1.7
92.36417	0.2
107.01407	0.8
109.02920	0.3
112.00788	0.2
121.02959	0.7
151.00381	2.7
161.02414	0.3
169.01485	0.4
178.99799	1.0
191.15732	0.2
255.03128	0.4
301.00287	0.3
301.03497	8.2
301.06848	0.4
527.31018	0.3
527.39478	0.2
585.09351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85627	0.6
59.01376	2.9
61.98828	14.3
69.39536	6.1
71.01384	1.0
73.12153	0.7
85.02946	0.8
93.03475	3.6
95.01390	2.8
101.09689	0.8
105.03423	0.9
117.03458	0.8
121.02959	4.6
122.03759	13.9
123.00896	6.7
123.04565	1.1
124.01661	2.7
125.02425	3.7
133.02956	7.5
134.03740	0.7
135.04517	3.6
136.01642	6.6
137.02411	1.8
139.00319	0.9
145.09833	0.7
147.04468	0.8
149.02444	17.5
150.03226	90.6
151.00392	5.1
151.04024	8.2
152.01172	0.8
161.02415	15.2
164.04813	3.8
165.05566	100.0
166.02769	4.9
166.05965	1.8
168.00648	6.4
169.01341	2.0
175.04016	1.0
179.03491	1.4
180.04300	6.4
181.05020	6.5
187.00356	2.2
194.25909	0.7
195.06622	69.0
196.06926	1.7
205.04790	0.9
259.06155	0.8
323.07773	1.4
357.09656	1.7
357.13492	7.9
373.13174	0.7
387.14496	15.2
431.13351	1.9
442.17773	0.7
475.08826	3.3
521.47809	0.9
535.19904	2.3
583.14490	19.0
583.35773	4.7
584.14526	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	583.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60995	0.2
57.43427	0.2
59.01380	3.8
61.98828	11.9
64.35583	0.2
65.03955	0.4
69.27960	1.8
71.01378	1.0
73.02954	0.3
75.00864	0.4
79.95724	0.3
85.02966	0.7
88.98793	0.4
89.02421	0.3
89.43893	0.2
93.03456	50.3
94.03797	0.6
96.96024	2.7
97.02978	0.3
99.00861	0.3
101.02441	0.7
109.02979	0.4
111.08145	0.4
113.02407	0.4
116.92854	0.6
117.03500	0.2
119.05041	0.5
121.02940	0.3
123.00957	0.3
123.04565	0.4
124.04858	0.3
125.02469	0.7
133.02963	0.6
135.04494	0.4
137.02441	100.0
138.02792	1.9
145.02997	0.9
150.03256	0.3
153.01978	0.2
161.02446	1.0
161.04518	0.5
163.04018	0.4
164.32388	0.2
165.05582	0.3
165.12833	0.8
167.03543	0.5
169.01514	0.3
179.03503	0.4
183.13890	1.4
203.10779	0.3
222.25966	0.2
227.12939	0.2
229.08693	0.5
257.08249	0.6
272.13196	0.2
273.07623	0.4
275.08997	0.5
299.07346	0.2
419.13251	0.4
437.08929	0.3
437.14597	0.6
486.11887	0.5
503.25766	0.3
523.33221	0.4
528.40674	0.3
583.23792	0.7
583.31952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99486	0.6
53.66264	0.7
59.01369	3.2
60.99011	0.9
60.99304	13.9
61.98823	9.1
69.17110	1.5
69.17513	6.5
71.01382	1.1
73.02934	0.7
85.16973	0.7
88.98801	100.0
93.03444	1.0
96.96003	1.7
98.19891	1.8
107.01418	0.8
119.05019	1.7
125.02415	1.7
128.13417	0.7
133.02943	2.9
135.04509	1.1
145.02927	1.9
153.01956	0.8
161.02409	9.1
162.02829	0.8
163.04080	1.3
165.01878	0.9
165.05569	0.7
169.01407	2.6
179.03448	1.7
187.56717	0.7
190.02847	0.8
194.05833	0.8
195.06606	1.0
209.08028	0.8
212.36987	0.7
218.02109	0.8
227.03447	1.4
242.72325	0.7
243.03102	0.8
246.01689	1.5
247.02432	3.5
255.02998	2.2
257.04611	1.5
257.08282	1.0
272.27829	0.7
284.03253	2.0
285.04025	7.3
301.03445	1.9
409.15216	0.8
431.09735	5.0
447.09094	1.0
488.57413	0.8
493.20667	8.1
539.11499	3.5
583.10443	1.5
583.24396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
61.98834	6.0
67.24626	0.7
71.30074	1.7
73.86417	0.6
92.05472	0.8
93.03455	6.4
102.36460	0.6
105.03453	0.8
107.01430	0.9
108.02222	0.9
109.02917	1.2
114.25032	0.7
119.05025	3.3
120.05343	1.2
121.02953	13.6
122.03741	18.8
123.00858	1.2
123.04551	1.2
125.02465	3.5
132.02228	0.7
133.02937	1.6
134.02222	0.8
134.03777	0.9
135.04520	8.3
136.01660	13.5
137.02448	3.3
139.00340	1.0
139.03946	0.9
142.85689	0.7
145.02946	1.7
147.04510	1.4
149.02435	33.6
149.06131	1.9
150.03221	100.0
151.00374	1.8
151.04041	14.3
152.01175	1.2
152.04382	0.9
153.01953	1.2
154.02652	0.8
160.05287	1.1
161.06181	1.6
162.03159	1.1
163.04007	5.3
164.04803	6.7
165.05565	97.7
166.02713	9.2
166.05885	2.0
167.03479	4.2
169.01366	5.0
170.01759	1.6
171.01852	1.5
172.05316	1.5
174.03206	0.9
175.03951	5.0
179.07115	1.5
180.04306	6.7
181.05060	11.1
189.05600	4.1
190.06296	5.9
191.03528	1.2
195.06616	51.9
205.05013	0.8
205.08745	1.6
221.08519	0.8
266.05731	1.0
282.05261	1.2
282.86847	0.8
293.36279	0.9
297.07565	1.2
309.07538	1.3
329.10330	4.3
341.10281	0.8
342.11127	1.6
356.62610	0.8
357.09659	2.1
357.13452	11.5
372.12091	2.1
373.12909	3.1
386.13690	1.2
387.14444	26.7
388.15012	1.2
402.09955	0.9
418.08420	1.1
419.08881	2.2
490.16519	0.9
505.18839	6.0
506.19223	0.9
517.18622	0.9
520.17468	0.8
535.19696	49.6
536.20258	4.0
583.13336	1.3
583.21948	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	583.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74892	0.9
59.01377	3.2
60.91016	0.9
61.98830	92.6
69.03489	1.0
71.01362	2.4
72.99306	1.8
74.87550	1.0
75.00884	5.3
75.01250	1.0
78.27116	0.9
79.01913	1.6
85.02959	2.2
87.41789	0.9
93.28082	1.0
93.93345	1.0
95.01380	4.8
98.20633	3.3
100.73315	1.2
101.02446	1.4
105.03461	1.2
107.01372	5.4
111.00853	1.1
111.02170	0.9
111.14561	1.0
117.03464	2.2
123.00874	13.6
124.01656	3.7
124.67226	1.0
125.02456	26.4
133.02963	28.8
134.03680	1.6
135.04517	14.8
137.02466	2.2
139.00359	3.8
140.01091	1.8
145.02859	1.2
149.02448	1.9
150.03233	1.8
151.00362	8.4
161.02438	100.0
162.02753	2.4
165.05540	3.6
165.12842	1.1
168.00642	11.0
169.01414	23.2
178.02698	3.5
179.03494	8.4
183.13893	1.9
187.00328	2.6
187.07642	4.0
189.37604	1.0
193.05055	3.1
195.06673	1.1
215.07051	1.0
224.45857	0.9
227.03539	1.1
227.12877	3.6
257.08157	3.6
275.09216	1.3
323.07983	1.2
329.16135	1.3
421.11310	3.3
431.13385	33.4
432.13855	2.0
475.08939	5.7
492.09048	1.6
548.72540	1.1
583.14563	91.0
584.15253	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	583.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57387	0.7
52.17693	0.6
55.94048	0.7
57.03448	1.5
59.01370	2.2
61.98827	9.6
63.02362	0.8
67.01888	0.9
69.03461	2.3
69.31654	6.6
71.01369	1.5
71.63308	0.7
77.92377	0.6
81.03441	1.7
83.01395	1.6
83.05020	1.6
85.02948	4.6
88.98772	1.0
93.03453	1.1
95.01402	1.4
96.96027	1.6
97.02943	1.2
99.04516	1.0
107.01396	7.9
109.02940	2.7
111.00862	1.2
119.04980	1.2
121.02948	1.6
121.69324	0.7
122.03751	3.0
123.00882	7.5
123.04559	4.2
124.01662	2.5
125.02446	75.4
126.02763	1.3
127.03980	3.4
133.02898	1.7
135.04565	1.1
136.98824	1.0
137.02379	1.0
139.00346	2.9
140.01149	2.4
143.04993	0.7
149.02451	6.6
150.03232	20.1
151.00354	11.9
151.03966	1.8
153.01918	0.9
159.04434	1.5
161.02446	2.7
163.00414	1.4
163.03957	1.1
164.04808	0.9
165.01927	2.6
165.05568	19.1
167.03493	12.9
168.00627	3.5
169.01424	68.9
170.01735	1.0
175.03951	0.9
178.99870	0.8
179.03510	2.2
180.04251	2.4
181.05090	1.2
181.78484	0.7
185.06084	1.6
187.04115	0.9
189.05605	0.8
195.04774	1.3
195.06624	14.9
205.08522	0.7
209.04486	4.0
209.81740	0.7
211.02357	1.5
211.04131	1.1
213.05522	1.2
225.07629	1.7
227.03467	6.8
229.05061	6.0
237.04066	1.4
255.03023	9.0
256.03644	1.3
257.04581	3.4
268.07632	0.8
284.03259	10.0
285.04022	42.1
286.04300	1.7
297.06143	25.1
302.79196	0.8
323.09091	0.8
327.08542	1.0
339.08734	2.4
353.10480	0.9
357.13519	4.1
369.13400	5.7
385.12872	12.0
431.09674	1.1
468.05597	0.8
505.19177	3.5
535.19891	6.1
583.10889	100.0
583.30164	2.3
584.11438	6.6
613.28174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25186	0.4
57.50277	0.4
58.13083	0.4
59.01381	1.0
61.98830	3.9
65.00317	1.0
69.21213	4.2
71.01366	3.3
75.00867	0.6
82.77024	0.4
83.01369	1.3
85.02943	0.9
87.00843	0.6
89.31473	0.4
91.01908	1.3
93.03477	1.1
95.01394	0.7
97.32143	0.4
98.19847	0.9
101.02437	0.9
107.01389	2.8
108.02196	0.8
109.02950	26.6
110.03248	0.6
113.02464	0.5
116.39018	0.4
117.03414	0.5
121.02949	0.6
121.64351	0.5
123.00916	1.1
124.01637	0.7
125.02467	0.9
132.02238	0.5
133.02957	0.8
135.00893	1.2
135.02994	0.4
135.04518	0.8
137.02460	0.5
151.00356	6.3
152.01118	1.0
153.01933	38.6
159.04471	0.5
161.02432	1.1
163.00362	1.8
164.01143	0.7
169.01465	0.8
169.06538	0.7
177.04008	0.6
178.99921	0.8
179.03543	0.7
183.04463	0.7
183.13899	0.8
184.16986	0.5
185.06090	1.1
186.19168	0.5
187.03975	1.8
195.02988	1.5
197.06053	0.7
199.03929	0.7
201.05553	0.7
211.04002	1.4
212.04782	0.6
213.05530	1.1
225.04019	1.1
227.03491	19.0
229.04999	4.1
239.03394	1.2
240.04288	0.6
241.05042	1.9
243.02994	1.4
255.02971	37.7
256.03595	4.4
257.04602	3.0
271.02499	3.2
284.03259	44.4
285.04004	35.1
286.04376	1.4
297.06131	10.1
300.02783	5.7
301.03387	2.1
327.05130	0.6
447.09210	3.4
456.91791	0.5
463.08716	1.1
506.44669	0.5
521.20593	0.6
565.21533	0.6
583.10895	100.0
584.11292	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	583.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75896	0.5
51.75989	0.6
56.07779	0.5
59.01374	1.6
61.98826	6.6
76.69447	0.5
82.03442	0.5
88.98798	1.2
93.03486	1.2
101.02433	0.6
107.01366	1.6
109.02957	0.7
116.92860	0.7
125.02451	0.6
132.02190	0.7
135.00887	0.6
143.05084	0.8
151.00351	1.5
153.01941	0.7
159.04494	0.8
161.02443	1.5
163.00352	2.7
164.77222	0.5
169.01505	0.8
169.06619	0.6
185.06056	1.6
187.03970	2.0
189.05492	0.8
197.05960	1.0
199.03979	1.2
211.04041	1.6
212.04814	0.6
213.05537	1.9
227.03493	12.8
228.04155	0.6
229.05037	10.4
239.03505	1.1
240.04367	0.9
241.05095	1.3
255.02980	29.1
256.03625	2.2
257.04553	6.1
267.02902	0.6
284.03253	45.9
285.04037	99.2
286.04422	4.2
431.09805	100.0
432.10150	6.2
437.05200	1.2
523.34558	0.7
583.10828	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	583.1089
Annotation	Vitexin 2''-O-gallate
Peak:m/z	Relative Intensity
52.79228	0.7
56.79537	0.6
59.01360	2.2
61.98828	48.9
69.36617	1.6
69.37017	3.7
71.01385	3.5
75.00850	0.7
83.01382	1.6
85.02932	2.0
88.39104	0.7
89.02415	1.2
91.01862	0.7
93.03448	1.5
95.01360	1.4
101.02452	2.3
107.01385	3.0
108.02233	1.6
109.02953	30.9
110.03297	0.7
112.32657	0.8
113.02412	2.0
113.22571	0.7
123.00863	0.9
125.02430	1.4
131.94992	0.8
135.00880	1.0
137.02516	0.8
151.00366	4.9
152.01077	1.3
153.01933	44.7
154.02205	0.9
163.00410	0.8
164.01173	1.3
169.01239	1.1
175.03915	0.8
177.03877	0.8
195.02977	2.3
211.03954	0.8
213.05562	0.9
225.03979	1.6
227.03465	15.7
228.03940	1.4
229.04999	2.3
239.03378	0.9
255.02962	31.0
255.05087	1.2
256.03604	4.0
257.04562	1.5
271.43381	0.8
284.03247	43.5
285.03998	26.0
286.04358	1.4
297.06091	4.7
327.05063	0.9
447.09515	3.7
465.32205	0.8
491.05005	0.8
550.76160	0.7
583.10907	100.0
584.11414	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	582.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
60.15228	0.2
61.98829	100.0
62.98529	0.2
69.25307	1.6
69.50411	0.2
90.26018	0.2
202.26315	0.2
279.36691	0.2
582.34351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.5
60.10484	0.4
61.98830	100.0
78.95910	0.7
96.96004	0.4
117.50608	0.4
136.66760	0.4
164.53351	0.5
181.15665	0.5
229.62039	0.4
487.34729	0.9
488.34784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.9
61.98824	0.8
78.95901	17.9
80.96513	1.4
122.98533	0.5
152.99602	2.9
168.04314	3.2
172.44316	0.3
224.06921	8.1
242.08031	1.8
283.26407	100.0
284.26764	4.7
288.96927	0.4
375.36743	0.4
508.34045	68.0
509.34387	4.9
582.30377	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	583.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23095	0.2
53.64380	0.2
59.01376	1.9
60.99296	0.4
61.98835	2.1
63.02402	0.6
65.00328	0.4
71.01382	0.9
73.02961	0.3
75.00868	0.4
83.01372	0.3
85.02951	0.4
87.00893	0.3
88.98803	3.2
89.02440	0.3
91.01893	0.7
93.03462	2.3
95.01367	0.5
96.96017	0.4
101.02451	0.4
107.01374	2.5
109.02958	1.2
111.21497	0.2
113.02470	0.2
117.03455	1.0
119.01362	0.3
119.05000	0.5
121.02969	0.3
122.03735	0.3
123.00855	1.2
123.04527	0.3
124.01649	0.2
125.02462	1.6
131.05002	0.6
133.02948	1.0
134.03636	0.2
135.00894	1.1
135.02980	0.5
135.04515	0.5
137.02428	0.8
139.00397	0.3
142.55023	0.2
143.04999	1.5
145.02951	1.3
149.02451	0.2
149.99538	0.2
150.03210	1.9
151.00371	2.2
151.03961	0.2
153.01979	0.4
154.04201	0.2
155.05043	0.6
157.06558	0.9
158.03627	0.2
159.04488	1.8
160.01617	0.3
161.02467	2.3
161.06204	0.2
163.00389	2.0
165.01953	0.6
165.05574	1.4
167.04993	0.5
168.00647	0.4
169.01456	2.1
169.06581	1.1
171.04514	0.7
173.02409	0.5
174.03119	0.3
175.04005	0.6
177.05579	0.3
179.03577	0.5
183.04514	0.7
183.13902	1.2
184.14188	0.7
185.06075	3.2
187.04002	3.6
189.05544	1.5
192.98701	0.2
193.04970	0.3
195.04524	0.7
195.06589	0.9
196.05275	0.5
197.06123	1.4
199.04018	1.0
201.05551	0.8
211.03983	2.0
211.13388	0.3
212.04774	0.5
213.05545	2.4
214.02565	0.4
215.03410	0.4
223.03975	0.3
227.03552	3.1
227.12653	0.2
229.05042	14.3
230.05440	0.4
239.03444	2.0
240.04240	0.7
241.05037	1.8
243.02954	0.6
255.03001	1.5
256.03781	1.0
257.04550	6.3
267.02969	1.2
269.04211	0.3
274.05231	0.3
284.03165	0.5
285.04034	100.0
286.04388	4.6
297.06140	5.1
301.03415	0.3
379.61099	0.2
431.09714	1.0
464.22385	0.3
465.22501	0.9
475.10907	0.9
523.34662	0.4
539.19012	0.2
547.21460	1.0
548.22314	0.3
582.25983	0.3
583.10706	1.8
583.23560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40649	0.2
59.01379	100.0
63.03893	0.2
69.19121	2.3
71.01377	0.3
93.10780	0.3
98.19836	0.5
109.65719	0.3
115.98336	0.3
125.42747	0.3
164.49759	0.3
200.74614	0.3
206.02470	0.3
255.23309	0.3
277.21713	5.1
281.97070	0.2
291.23434	0.6
369.04968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88062	0.7
55.56080	0.5
58.16730	0.7
59.01355	0.6
61.98829	100.0
69.22521	1.9
69.22926	3.6
73.38317	0.6
90.93734	0.6
98.20679	1.1
161.02467	0.9
366.10941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61333	0.2
61.98827	100.0
69.14886	0.2
97.49384	0.2
98.19858	0.4
163.26059	0.2
191.64977	0.2
226.62085	0.2
229.68678	0.2
263.15799	0.2
300.42300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35318	0.2
56.41605	0.2
58.70275	0.2
59.01390	0.3
61.98830	100.0
66.43574	0.2
68.46799	0.2
69.52525	1.4
96.96028	0.3
96.96960	0.4
227.66316	0.2
358.38666	0.2
475.11328	0.2
486.33301	0.3
497.60471	0.2
522.35248	0.3
582.33301	0.3
583.31323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39377	0.2
59.01377	1.9
61.01815	0.3
61.98829	100.0
69.23419	2.5
100.02589	0.2
117.75810	0.3
126.22218	0.2
138.19727	0.3
304.71887	0.2
434.01865	0.3
519.33929	0.3
558.96326	0.3
575.02832	0.3
577.70752	0.3
582.09631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01828	1.4
61.98829	100.0
63.60299	0.9
63.99803	0.9
67.63366	1.0
74.51053	1.0
83.49193	1.2
121.72177	1.0
161.02267	0.9
271.20526	1.2
291.36948	1.0
469.19373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.69421	0.1
68.34621	0.2
69.25484	1.6
69.85764	0.1
72.58816	0.2
78.95914	0.5
79.44005	0.2
80.96504	0.2
82.96111	0.2
86.17520	0.2
98.19907	0.2
152.99559	0.3
166.97813	0.2
175.39876	0.2
182.60104	0.2
205.65256	0.2
279.23328	1.8
280.23688	0.2
281.24072	0.2
504.31155	1.1
507.32220	0.3
581.26849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
61.98827	100.0
70.54473	0.3
78.95918	0.5
82.96092	0.4
85.02953	0.1
152.99651	0.3
171.15776	0.1
247.51923	0.1
249.64771	0.2
267.68414	0.1
279.23285	2.1
280.23676	0.6
281.23993	0.5
282.24136	0.2
504.30954	0.7
507.32108	0.3
581.26746	0.7
583.83154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33870	1.7
59.01389	8.1
61.62465	1.8
61.98829	97.2
69.27678	13.4
69.28076	4.3
71.04987	2.3
80.91698	2.1
88.98817	4.5
128.16997	1.7
135.87762	1.6
136.75465	1.7
146.67410	1.7
165.12819	3.0
205.15942	4.3
379.30020	2.9
395.29291	2.0
397.31226	2.0
423.32590	7.8
441.33749	23.6
459.34766	4.8
485.32678	25.9
521.34790	100.0
522.35217	6.9
581.09369	2.9
581.33197	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	38.1
60.99317	1.3
61.98831	71.7
69.22324	7.9
71.01385	0.9
71.05016	1.5
75.00896	1.5
76.48462	0.8
77.69683	0.8
78.95888	0.8
89.02481	1.4
94.73921	0.8
98.19933	2.0
105.43021	0.7
123.08243	0.8
140.26810	0.8
142.03236	1.1
144.26393	1.0
165.12848	1.2
167.00896	0.8
183.14034	1.1
185.68916	0.9
205.15935	2.6
236.00020	1.0
379.30350	0.9
397.30939	1.6
416.83578	0.9
423.32776	2.5
441.34073	6.4
459.28790	1.1
459.34692	4.6
485.32559	2.1
518.31860	1.4
521.34802	100.0
522.35156	7.1
581.09235	1.1
581.26947	1.0
581.35907	0.9
594.99524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.6
61.98835	10.1
71.01373	7.3
71.01803	1.4
71.02194	1.0
72.99306	2.1
73.02934	1.6
75.00873	15.4
83.01394	1.2
85.02960	2.5
87.00855	0.8
89.02454	6.8
95.01371	1.2
101.02443	5.4
107.01375	1.0
113.02454	2.3
117.01933	0.9
119.03477	0.9
119.05019	1.2
125.02452	3.0
132.02222	1.0
133.02930	3.6
133.05083	1.0
134.03745	1.5
135.03001	46.7
135.04575	2.9
151.00385	1.1
160.01692	2.0
161.02455	9.8
161.04628	1.0
162.02811	2.9
165.12827	9.0
169.01413	3.9
175.04028	2.3
177.05548	1.1
179.03506	2.5
179.05452	0.9
180.03816	1.8
183.13895	100.0
184.14267	2.5
193.05023	1.6
209.11823	1.1
216.62950	0.8
217.04933	0.9
227.12881	5.7
235.08516	1.1
253.09296	3.7
281.06607	1.2
315.59854	1.0
323.07620	1.0
327.76971	0.9
341.08734	1.3
342.09146	1.0
374.19785	0.9
418.03421	1.7
463.21838	68.9
464.22348	3.1
493.15222	0.9
518.13782	5.7
519.19104	1.2
521.34369	1.2
521.43646	1.0
581.09454	1.7
581.24567	39.7
582.24854	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	581.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26142	0.6
57.03435	0.6
58.00575	0.7
59.01381	12.7
61.98834	1.6
69.03489	0.6
70.35777	1.5
71.01384	7.7
72.99303	1.9
73.02956	1.4
75.00871	16.7
78.21819	0.5
83.01394	1.3
85.02949	2.0
87.00874	1.7
89.02447	9.8
95.01389	0.8
97.02977	0.6
99.00899	0.7
101.02435	7.8
113.02451	3.2
117.01922	1.0
119.03489	1.7
125.02436	1.1
132.70068	0.5
135.03000	54.6
160.01643	1.2
161.04529	2.4
165.12836	9.0
169.01414	0.9
175.04044	1.1
176.83673	0.7
181.25334	0.6
183.13895	100.0
184.14227	2.6
193.05016	0.7
209.11824	1.1
227.12897	4.2
253.09317	6.3
286.12164	0.7
390.22308	0.6
406.09378	0.5
418.03046	1.3
456.73996	0.6
463.21838	77.4
464.22134	4.2
581.24530	41.8
582.24908	2.5
591.20599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
57.03432	2.4
59.01378	60.9
64.62139	0.9
67.31523	0.8
69.03463	1.3
69.15868	1.5
69.16282	7.1
71.01379	18.7
72.99280	3.5
73.02938	7.9
75.00859	5.2
83.01380	4.6
85.02534	1.1
85.02955	13.9
87.00885	1.9
89.02440	4.3
93.03461	5.0
95.01360	3.2
95.05009	1.1
97.02934	1.5
98.19872	2.0
99.00887	2.4
99.92535	1.5
101.02441	12.3
108.02194	0.8
111.00873	1.3
113.02451	9.3
116.92844	13.0
117.01924	0.9
119.03471	1.1
119.04950	1.1
121.02934	8.2
122.03732	11.5
123.04490	1.8
125.02434	2.6
126.32287	0.9
129.01953	1.1
132.02136	2.5
133.02953	11.0
134.03712	3.3
135.02994	13.8
135.04489	4.4
136.01610	1.4
137.02396	1.0
140.52473	0.9
141.01993	0.9
145.02922	5.2
147.04491	1.8
149.02432	56.8
149.06041	3.3
149.54221	0.9
150.03221	84.6
151.00301	1.7
151.03745	1.4
158.13437	1.0
161.02423	1.6
162.03300	0.9
163.03960	1.2
164.04779	11.6
165.05559	73.8
166.06372	5.2
167.07083	1.9
177.05476	1.1
180.04268	4.9
181.08716	8.8
195.04822	1.7
195.06607	32.6
195.08348	2.2
197.09801	1.2
208.07549	0.9
239.10757	1.0
269.13788	4.5
270.08981	1.7
283.09653	2.4
314.11606	6.8
315.12415	1.6
325.12894	17.4
329.13889	16.5
343.14044	7.3
385.15036	2.4
403.11496	1.1
429.13965	3.4
445.11169	1.7
449.20166	5.3
458.16159	1.3
463.12628	1.7
473.18137	100.0
474.18207	6.0
491.19189	44.2
491.26514	1.3
492.19644	1.7
521.20441	4.4
533.20258	38.3
536.25690	1.0
537.21539	1.4
539.21252	6.5
549.13190	2.2
581.14978	2.7
581.22473	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	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
56.63699	0.5
57.03440	1.5
59.01381	24.5
69.03447	0.7
69.25676	0.8
69.26077	3.8
71.01386	7.3
72.99303	0.9
73.02953	2.4
75.00875	2.9
77.59417	0.5
78.94234	0.6
83.01387	2.2
85.02960	5.0
87.00871	1.3
89.02434	1.7
93.03465	3.9
95.01397	1.1
95.05009	0.5
97.02946	0.8
99.00896	1.6
99.92596	3.7
101.02459	4.7
103.02191	0.5
105.03425	0.7
108.02160	0.8
111.00887	0.8
113.02472	2.8
116.92861	37.6
117.92873	1.2
119.03529	0.6
120.69847	0.6
121.02960	6.7
122.03747	14.7
123.04532	1.4
124.01647	0.8
125.02440	1.2
129.01927	0.8
130.14081	0.7
133.02954	5.3
134.03706	1.2
135.03012	3.7
135.04544	1.7
136.01634	1.1
145.02902	1.3
147.04495	1.0
149.02443	29.6
149.06090	1.8
150.03223	98.7
151.00360	0.8
151.03633	1.8
161.02460	1.5
162.03302	0.7
164.04793	7.4
165.05566	100.0
166.06281	2.9
167.07149	0.9
169.01430	1.0
177.04063	1.2
180.04260	5.6
181.08723	3.8
195.06621	53.9
196.06975	1.2
217.74084	0.6
225.11409	0.6
233.92062	0.6
270.09079	1.0
283.09729	0.7
314.11520	2.8
315.12326	1.0
325.12878	10.5
329.13934	6.6
343.13864	5.0
369.24359	0.5
385.15222	1.4
443.17041	0.7
445.11267	0.7
463.13092	0.8
473.18161	44.0
474.18604	2.3
476.09351	0.7
491.19174	20.5
492.19690	1.0
503.19586	0.8
521.20386	2.8
533.20264	22.0
534.20605	1.2
539.21399	2.1
581.14520	0.5
581.22052	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	581.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52605	0.9
55.48997	1.0
57.03437	3.3
59.01378	25.8
69.03450	1.3
69.37359	6.8
69.37749	1.6
71.01378	17.9
72.99297	1.1
73.02955	1.1
74.50898	1.2
75.00874	14.6
79.58440	1.0
83.01367	1.6
85.02955	7.1
87.00887	6.8
89.02455	9.6
96.48294	0.9
97.02933	3.1
99.00886	5.3
99.04483	1.1
101.02455	5.4
113.02451	4.3
119.03463	3.4
129.01947	9.3
135.02966	3.5
135.11816	1.8
141.01959	2.4
142.79956	1.1
159.02969	3.8
161.09679	2.2
177.04034	38.9
179.10747	12.7
195.05121	7.5
223.09720	7.0
265.10873	1.8
276.86804	1.2
288.38739	1.1
383.13403	7.2
401.14432	4.3
545.18256	1.2
563.19897	7.1
581.20856	100.0
582.21167	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	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.19129	14.3
61.98822	18.1
62.99512	14.0
69.19713	66.3
69.20139	84.4
71.01381	44.6
80.51696	13.6
85.02971	18.4
87.97739	15.8
89.02452	76.9
96.95988	20.5
97.15112	13.6
101.02434	23.6
113.02447	22.1
119.03486	25.4
127.95874	14.9
179.05598	24.7
222.16708	16.1
247.98889	14.4
311.09210	45.3
320.01584	16.3
326.11490	29.1
341.13876	67.2
369.52289	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	581.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.0
61.98830	36.1
65.03948	4.1
71.01367	4.8
73.02912	1.8
75.00866	1.5
79.95733	1.2
83.01376	2.1
85.02960	5.7
87.00880	1.4
93.03463	13.8
93.34100	1.0
95.05016	1.6
99.00877	1.3
101.02424	2.0
107.05019	10.5
108.02180	1.8
109.02968	12.5
113.02476	1.5
117.03455	2.6
117.47394	1.0
119.05008	5.7
121.02934	3.6
121.84090	1.2
122.03758	6.0
123.00876	1.5
123.04518	8.2
125.02477	6.8
132.02179	1.5
133.02954	29.3
134.03694	1.8
135.04530	26.2
136.99165	1.2
137.02446	9.1
143.05003	1.2
145.02957	9.1
149.02432	7.0
149.06104	2.5
150.03229	26.5
151.00345	2.1
151.04007	100.0
152.00974	1.3
152.04366	2.4
159.04465	1.4
160.01610	2.4
161.02441	91.7
162.02829	2.1
163.04007	5.2
164.04730	1.4
165.05565	25.8
168.00685	2.7
169.01436	7.8
175.04015	9.3
177.01901	3.9
177.05542	5.7
178.02615	1.8
179.03500	19.4
180.04123	2.0
185.06007	1.4
189.01938	2.1
190.02617	2.1
190.06303	1.7
191.03485	1.8
191.05559	1.5
193.05017	3.0
195.06621	15.5
202.99945	1.5
203.03578	1.8
215.03520	1.9
217.01373	2.2
217.05028	1.2
218.05779	2.1
219.02950	7.2
221.04538	5.8
222.05212	2.5
227.07095	2.3
231.02911	1.8
242.02380	1.5
251.05560	1.3
252.02272	1.2
255.02968	1.6
257.08179	28.3
269.00925	1.7
271.02481	2.3
271.05896	2.9
274.01138	1.5
293.04626	1.5
295.06104	1.4
300.02716	1.4
306.05072	1.2
307.05981	4.7
308.06491	1.2
313.07123	1.8
321.07544	3.2
323.07733	83.7
324.08353	1.7
325.07141	15.6
333.07880	2.5
336.09897	1.8
337.07040	4.1
339.08618	3.9
340.09314	1.4
341.06628	4.9
352.09082	1.2
354.10825	1.7
355.11743	5.9
363.05038	3.8
367.11908	11.5
393.06265	6.8
418.03070	1.2
419.11234	14.7
487.10315	36.7
488.10550	2.2
503.16992	3.2
533.18384	5.7
551.19263	5.4
580.28534	3.4
581.15729	40.3
581.27582	8.9
581.37006	5.1
582.15997	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	581.1823
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
54.03381	1.1
57.45369	1.0
59.00048	1.3
59.01361	2.2
61.98824	2.2
62.96391	1.4
71.01372	2.0
71.53605	1.7
78.95901	100.0
96.96024	1.5
96.96968	4.3
99.92581	10.7
100.93369	1.8
115.92074	32.3
116.92858	28.8
116.93484	0.7
116.93693	1.2
130.29875	1.0
147.45515	1.0
150.98006	4.3
152.99579	26.6
155.95311	2.1
160.33296	1.2
163.89764	2.9
164.90324	2.2
171.00641	13.7
172.95456	6.1
173.37814	1.2
177.87202	1.2
178.88393	11.9
179.89224	37.0
180.90018	21.2
181.90773	2.2
194.87877	3.8
196.89465	46.8
205.90709	3.5
206.91554	2.3
208.89456	2.1
216.73604	1.1
220.92940	1.1
221.90335	2.7
234.91087	2.0
234.94183	1.2
235.91862	10.3
236.92596	24.1
237.93054	1.2
245.04138	2.0
252.85301	1.2
252.92126	2.6
253.92828	1.4
270.93161	2.2
276.95822	2.4
278.93622	5.5
281.24854	2.6
282.25208	1.8
292.95224	2.7
309.95569	2.6
310.96194	5.6
353.14246	1.6
409.16965	1.1
473.14066	4.9
481.26147	2.1
490.14548	5.8
504.24335	1.4
507.33011	1.9
533.16058	1.7
545.16150	6.2
563.17249	7.3
581.18225	64.5
582.18573	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	581.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	39.5
61.98829	56.7
69.19292	6.7
71.01373	4.6
72.99301	1.3
75.00883	2.5
78.80335	0.7
85.02944	2.1
88.98784	0.9
89.02448	2.5
93.03450	1.2
96.96018	3.9
98.19845	1.7
101.02446	2.7
105.03462	1.1
108.02184	1.3
108.95300	0.8
109.71825	0.7
116.92879	1.0
117.03473	1.2
121.02953	44.6
123.04512	0.9
125.02455	2.2
132.02130	3.2
133.02956	40.5
134.03705	3.5
135.04521	27.1
136.04881	0.8
137.02409	2.6
139.03979	1.3
139.85011	0.8
145.02888	0.9
149.06050	2.4
151.00343	0.8
160.01659	4.3
161.02435	100.0
162.02773	3.7
163.03912	0.8
169.01392	2.3
175.03970	4.2
177.01883	2.2
177.05586	3.9
178.02771	1.0
179.03487	18.1
193.05043	1.0
203.03496	1.0
220.03746	1.1
221.04549	6.2
263.05634	1.8
270.99011	1.2
280.05988	1.0
281.06470	1.3
298.98395	1.0
323.07690	59.4
324.08060	2.1
334.69504	0.9
337.09335	2.0
421.29465	1.9
459.12985	12.2
475.30255	1.4
484.16617	1.0
521.35114	12.6
545.23608	1.0
549.07019	1.0
580.28271	1.3
581.09900	1.5
581.16559	34.6
581.27649	4.1
582.16919	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	581.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
59.01373	2.8
61.98831	6.4
69.03458	0.9
69.42726	3.2
71.01382	2.0
79.01885	1.1
80.77745	0.5
81.03450	0.9
81.70541	0.5
83.01377	0.6
85.02933	0.7
93.03464	2.5
95.01406	1.5
97.02957	1.5
98.20620	1.2
101.02444	0.8
103.70168	0.5
106.40318	0.5
107.01398	18.3
107.05025	1.1
108.97262	0.6
109.02933	1.4
111.00938	0.9
113.02486	0.6
117.03463	3.8
119.05029	46.9
120.05347	0.9
121.02961	10.4
122.03743	1.2
123.00890	7.4
123.04549	0.7
124.01687	0.8
125.02451	59.8
126.02802	0.8
131.05058	0.7
133.02953	6.1
133.06621	1.6
135.04523	3.6
137.02426	1.0
139.00372	2.5
140.01125	0.8
141.01938	1.2
145.01874	0.9
145.02956	10.1
147.04510	0.7
149.02470	2.0
150.03218	6.8
151.00372	5.1
151.04007	12.6
153.01889	0.6
159.04488	2.3
161.02449	12.5
161.06053	2.5
163.04015	47.3
164.04413	1.4
165.05598	5.4
168.00641	1.4
169.01430	100.0
170.01790	2.0
175.03992	2.2
177.05548	1.1
179.03496	2.1
187.04001	5.0
195.06647	3.6
204.84094	0.5
205.05099	0.9
219.02818	0.7
222.05385	0.7
257.08255	5.5
263.16235	0.5
267.26563	0.5
295.04654	2.8
308.45007	0.5
321.07574	1.0
323.07739	2.6
325.07120	1.6
337.07101	0.6
339.08551	0.8
355.12003	1.7
367.11862	3.5
384.87772	0.5
417.08261	56.7
418.08585	2.5
419.13565	4.3
435.09207	1.3
474.75156	0.5
487.45758	0.6
503.17163	1.2
533.18329	1.8
551.19489	1.7
581.12561	15.2
582.14075	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	581.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57572	0.6
53.81342	0.6
54.15080	0.5
59.01376	9.8
59.49161	0.5
62.71880	0.5
71.01373	2.6
71.53057	0.8
72.99319	3.1
75.00870	26.0
87.00908	1.0
89.02437	5.4
93.03445	6.4
99.00914	0.9
101.36912	0.5
111.00904	1.6
113.02451	0.9
116.92840	1.6
117.01930	1.8
119.05039	1.5
125.02396	0.7
129.01936	1.0
133.02959	1.2
135.02995	100.0
137.02484	0.8
149.06104	0.5
150.03172	0.6
160.01723	0.8
161.02437	1.4
161.74561	0.5
163.03940	0.8
175.03944	1.0
177.01953	1.1
177.04042	1.4
182.07321	0.9
184.73172	0.6
190.02777	0.6
193.05089	0.9
195.05191	0.9
195.08116	4.7
197.09702	4.4
213.12724	0.5
223.07652	2.4
227.03638	0.9
235.06149	0.9
239.08551	0.8
239.10730	5.2
241.08672	2.0
243.12303	0.8
253.05023	0.6
257.11893	1.3
276.90640	0.6
283.09702	7.4
301.10852	2.7
310.04800	0.8
327.08875	1.6
347.09283	0.9
365.10284	1.1
401.12515	0.6
403.16064	1.2
404.09329	0.7
445.11362	11.4
463.12497	12.6
464.12903	0.8
537.14362	0.9
581.14520	6.7
581.23138	3.2
587.64575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93369	0.3
56.69568	0.2
61.98829	100.0
70.85213	0.4
86.17889	0.2
90.87403	0.2
97.09101	0.3
116.23532	0.2
133.92140	0.2
215.99722	0.2
241.07213	0.3
303.27533	0.3
520.33655	0.3
523.04956	0.3
580.31409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00431	0.4
59.01379	18.2
61.98822	1.1
69.30850	2.8
71.01407	0.4
78.95904	19.4
79.95738	0.6
80.96504	2.7
83.46844	0.4
99.55994	0.4
152.99580	2.9
154.10670	0.4
157.30942	0.3
168.04315	3.0
171.00650	0.3
173.13234	0.3
174.38374	0.4
204.49837	0.4
224.06918	8.0
242.07915	2.0
244.63947	0.4
281.24841	100.0
282.25201	3.5
319.48053	0.4
422.55652	0.4
506.32474	64.9
507.32816	3.4
580.20239	0.6
580.28784	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	580.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.0
61.98830	3.7
63.99236	0.5
64.41848	0.4
71.01405	0.5
78.95905	6.1
80.96528	1.9
87.10146	0.4
94.98096	0.5
133.67577	0.4
137.30956	0.4
152.99593	1.2
168.04309	1.3
213.47659	0.4
224.06924	0.5
229.49153	0.5
242.07967	2.4
281.24835	100.0
282.25195	4.2
316.55933	0.4
321.77017	0.4
379.04330	0.4
506.32446	32.5
507.32700	1.7
580.28656	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.4
61.98830	100.0
69.17012	1.4
69.17428	3.8
71.01385	0.8
73.50773	0.5
75.00868	0.9
81.36362	0.5
133.02956	9.2
134.03296	3.4
135.04546	1.5
161.01122	1.1
161.02448	19.6
162.02774	9.4
179.03564	1.4
180.03964	0.8
194.47350	0.6
207.37534	0.5
439.64581	0.7
517.32367	0.6
520.33459	0.6
580.28387	19.4
581.28204	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	580.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
60.37244	0.2
61.98829	100.0
70.84953	0.5
76.01815	0.2
101.31090	0.3
179.53323	0.3
193.44600	0.2
202.65683	0.3
366.56683	0.3
478.69083	0.3
501.98285	0.3
517.31763	0.4
519.32642	0.3
520.33850	1.2
580.34729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21241	1.2
59.01376	7.3
61.98828	100.0
67.21152	1.4
69.26378	10.4
71.01366	5.2
73.02911	1.7
73.32404	1.3
82.94966	1.3
85.02961	4.0
88.56463	1.4
89.02465	1.9
94.55766	1.5
99.24992	1.3
101.02429	2.0
113.02428	3.3
121.02890	1.8
132.02190	2.7
133.02934	15.4
134.03755	7.0
135.02985	2.2
135.04524	42.0
137.02452	1.4
149.06091	6.5
160.01646	15.3
161.02431	62.6
169.01443	3.0
175.03960	9.4
177.05542	14.3
179.03485	56.2
183.13863	2.3
193.05064	3.8
203.03508	2.4
221.04512	20.8
233.70622	1.3
251.03195	2.3
251.05576	21.4
281.06665	25.6
302.12265	1.6
323.07666	43.8
324.08008	2.4
341.04944	2.6
341.08759	42.9
342.09189	1.6
517.13470	47.1
518.13538	2.2
545.73120	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	579.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38533	0.8
59.01379	82.8
60.54964	0.8
61.98833	23.7
62.85549	0.7
69.20316	7.9
71.05021	4.8
75.00881	2.1
78.95888	0.9
80.50789	0.9
95.00633	0.7
95.01383	0.9
109.06579	1.7
165.12817	2.5
183.13914	1.2
227.12759	1.5
339.23340	1.0
355.26404	1.4
373.27539	1.4
421.31030	1.7
439.32071	6.3
457.33276	7.3
459.31265	1.4
475.34262	0.9
483.31131	1.5
519.33246	100.0
520.33527	8.3
579.35895	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	579.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66224	1.0
58.00588	2.1
59.01377	29.8
61.98828	36.8
64.30775	1.1
70.63182	1.0
71.05009	9.4
71.53503	2.0
73.02935	1.8
75.00854	5.2
81.19178	1.1
85.34334	1.2
88.98820	1.8
89.02435	1.4
97.06562	1.5
107.67811	1.2
148.12671	1.1
219.56241	1.2
286.50195	1.2
315.91998	1.2
323.22385	1.7
327.02338	1.3
355.26401	1.4
357.24075	2.7
371.25720	4.0
373.27463	4.0
437.30466	16.0
439.32184	9.8
441.29807	1.4
455.31631	2.1
457.33081	15.3
475.34286	7.6
483.31143	3.6
485.32523	5.4
519.33221	100.0
520.33630	6.5
579.36139	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	579.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
59.01377	100.0
61.91508	1.1
61.98827	34.1
63.02379	1.1
63.95342	1.3
65.00310	5.9
69.50030	8.2
71.01370	5.0
71.01725	1.2
71.05013	4.9
73.02942	3.9
78.95897	1.3
83.01393	4.5
93.03460	4.1
93.18279	1.1
96.96016	1.4
101.02433	3.9
105.03519	1.2
107.01375	7.4
109.02949	2.3
113.02398	1.4
117.03467	4.6
119.05026	23.1
119.08679	2.9
121.02950	1.8
125.02440	6.1
132.02167	1.7
133.02959	27.1
135.04530	8.7
137.02382	2.2
143.04956	1.7
145.02954	15.6
147.00842	1.8
149.02419	2.5
149.16762	1.2
151.00365	34.1
152.01044	1.4
161.02437	66.3
161.06038	3.8
162.02771	2.0
163.03996	5.3
165.01959	2.8
169.01459	1.7
175.00374	6.0
177.01921	3.1
177.77548	1.1
179.03462	4.0
179.07045	1.2
185.06078	6.9
187.03990	4.5
190.02681	16.9
199.07631	1.3
205.05032	16.1
227.07164	6.4
243.06540	1.7
265.07202	2.1
271.06110	98.6
272.06424	3.7
277.04898	1.4
295.06128	3.3
307.08325	10.1
312.07864	1.3
360.42245	1.3
375.27051	1.7
379.04501	2.3
391.30035	7.4
405.28214	1.9
409.31204	1.7
423.29129	2.1
451.67157	1.2
457.33188	17.4
458.33835	1.4
475.34357	2.4
489.32233	7.9
519.33221	48.8
520.33453	2.4
579.15204	4.0
579.28076	72.4
580.28540	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	579.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60960	0.3
59.01379	100.0
60.01719	0.6
61.98827	3.1
62.13102	0.3
67.69280	0.3
84.54092	0.3
96.64566	0.3
98.20677	0.6
156.73050	0.3
161.02429	0.4
162.11502	0.3
200.53610	0.3
255.06570	1.0
273.46341	0.3
323.07797	0.4
328.17780	0.4
357.25821	0.5
405.27969	0.5
407.29657	0.4
423.28726	0.5
427.32205	1.0
439.31979	0.7
457.33206	4.1
471.30780	0.4
475.34320	4.8
476.34277	0.3
501.31845	0.5
519.32941	0.9
579.35370	14.8
580.35632	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	579.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17732	0.9
52.29175	1.0
54.61818	0.9
59.01378	7.7
61.98830	16.1
70.21340	1.0
70.69378	1.1
71.05021	12.2
71.46278	0.9
72.44126	1.0
77.43168	0.9
109.06589	4.0
323.22263	1.7
331.02985	1.3
337.25427	1.4
339.23203	3.2
355.61115	1.0
357.24274	3.2
367.26428	1.4
373.27396	3.4
421.31052	4.1
423.29105	2.3
429.15909	1.2
437.30359	1.1
439.25735	1.5
439.32135	15.6
441.30023	1.2
457.33200	13.5
471.31070	1.3
475.34180	3.6
483.31268	7.2
519.33215	100.0
520.33765	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	579.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40367	0.3
59.01379	100.0
60.01698	0.5
61.98830	6.0
63.97618	0.3
65.00340	0.6
71.01382	0.6
74.55388	0.3
78.81068	0.3
83.01390	0.7
85.02943	0.5
93.03465	0.5
97.18491	0.3
98.20693	0.6
101.02526	0.4
107.01422	1.2
117.03493	1.1
119.05027	3.2
120.13902	0.3
125.02477	1.1
133.02997	1.2
135.04453	0.5
137.02443	0.4
143.05048	3.5
145.02931	5.1
151.00371	2.7
161.02441	3.4
163.04050	0.8
165.01984	0.6
182.93781	0.4
185.06136	1.2
201.05621	0.5
203.07300	0.4
227.03523	0.4
227.07146	3.0
255.02933	0.4
256.03299	0.4
259.06134	0.6
267.98038	0.4
271.06110	3.8
271.08414	0.3
272.06531	0.3
307.08350	0.8
359.27893	0.4
451.14157	0.5
475.34177	0.6
482.38251	0.4
519.33301	3.1
535.16455	0.5
579.14972	8.6
579.27704	2.6
579.35657	7.1
580.35608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.6
61.98828	100.0
62.98530	0.1
64.90351	0.1
67.33504	0.1
69.26086	0.7
69.26496	0.3
78.74168	0.1
78.95908	0.9
80.96347	0.1
108.87309	0.1
152.99603	0.4
238.89278	0.1
277.21707	1.5
278.22147	0.3
279.22299	0.2
350.06863	0.1
485.33688	0.1
502.29257	1.1
503.30032	0.2
504.30298	0.1
505.30472	0.3
579.30835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26091	0.3
53.24625	0.3
56.65637	0.3
59.01378	100.0
60.01710	0.7
61.98831	2.4
69.21287	2.9
69.21696	0.7
76.10419	0.4
87.78389	0.3
98.19843	0.8
129.06747	0.3
133.57750	0.4
159.04910	0.4
248.41718	0.3
357.26074	0.4
365.36462	0.4
390.01221	0.4
407.29376	0.5
409.31213	0.6
423.29166	2.0
427.31955	0.7
439.32190	5.0
455.31635	0.8
456.28857	0.6
457.33179	3.6
458.33871	0.4
471.31250	3.8
475.34247	10.5
476.34375	0.9
519.33282	4.0
521.48853	0.4
534.42328	0.4
579.35333	11.3
580.35730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.281
Annotation	Dracunculifoside M
Peak:m/z	Relative Intensity
59.01375	5.4
61.98830	17.7
71.01378	2.3
71.53341	0.6
73.02968	0.7
75.00877	0.6
75.45438	0.4
76.47715	0.4
83.01375	0.8
83.39273	0.4
85.02969	0.7
89.02431	1.2
89.91779	0.4
93.03458	0.9
99.00895	0.5
101.02442	2.0
104.65410	0.4
109.02978	0.7
113.02487	1.0
115.01874	0.5
117.03456	2.2
119.05035	1.4
121.02934	0.6
125.02443	1.0
132.02165	1.8
133.02959	33.3
134.03757	1.3
135.04521	10.5
137.02437	1.0
145.02972	2.4
151.00337	1.1
161.02440	100.0
162.02792	2.6
163.04030	1.0
169.01421	1.0
175.00484	0.5
177.02013	0.4
179.03505	4.3
226.21658	0.4
255.16069	0.6
271.06079	1.7
279.06763	0.9
307.05988	0.6
323.05652	1.3
335.05643	2.1
351.04987	0.7
357.26370	2.9
378.51520	0.4
379.04581	7.1
380.04852	0.6
417.21088	0.8
453.67407	0.4
519.32428	0.7
561.06818	1.0
579.28064	79.9
580.28455	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	579.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51493	0.5
52.62250	0.5
57.03445	0.6
59.01379	13.9
61.98830	11.9
69.03459	0.7
70.35059	0.6
71.01386	4.3
71.53778	0.9
72.99320	0.8
73.02947	1.0
75.00874	1.8
85.02948	2.3
87.00834	0.8
88.98756	0.9
89.02452	2.0
92.44147	0.6
93.03467	0.9
99.00872	0.8
101.02435	2.4
107.05002	0.6
108.02128	0.7
109.02983	1.1
111.41621	0.6
113.02467	1.3
116.92866	0.8
117.03461	5.1
119.01369	1.3
119.05049	4.5
121.02962	1.7
123.04513	0.6
125.02426	1.7
129.01921	1.5
132.02174	1.3
133.02956	28.9
134.03757	1.8
135.04527	16.3
137.02426	1.7
139.04060	0.7
145.02960	12.6
147.00845	1.1
149.02475	2.1
152.01208	0.7
153.01859	0.8
159.02968	1.0
160.42006	0.6
161.02443	87.6
162.02791	2.6
163.04015	3.7
164.04863	1.1
169.01451	1.3
175.00356	6.6
175.03954	0.7
177.04051	2.6
177.05511	0.9
179.03500	11.5
185.06033	0.8
190.02721	14.3
193.05089	0.7
205.05051	14.7
223.06155	1.9
227.07178	5.0
253.05130	1.5
271.06119	3.1
301.00146	0.7
301.20370	0.7
307.08292	1.2
339.07474	0.7
365.44662	0.6
372.96616	0.6
379.04636	2.4
402.64502	0.7
412.15155	0.8
417.21231	1.5
579.15802	3.7
579.28119	100.0
580.28314	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	579.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.0
61.98819	1.4
62.65141	0.5
63.96239	1.6
67.12379	0.5
71.01381	7.6
73.02946	1.4
78.95908	4.5
78.98591	6.0
79.95735	8.7
80.07684	0.6
80.96517	61.0
83.01418	0.5
85.02946	2.3
87.00880	3.0
94.98090	13.6
96.95995	3.1
97.02966	1.0
98.45802	0.5
99.00859	0.7
101.02441	2.3
106.98115	2.8
113.02481	0.7
122.86777	0.5
122.97598	3.1
125.02428	3.1
127.04020	0.7
134.97578	4.9
136.99168	1.2
144.08888	0.5
148.99158	5.7
152.98608	5.7
152.99620	0.8
164.98615	10.4
183.03589	0.6
206.99588	1.8
224.06966	1.4
225.00746	13.4
279.23328	2.1
281.24823	15.9
299.04327	2.0
506.32462	9.2
532.28979	0.6
540.02283	0.5
579.28418	100.0
580.28729	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	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
61.98830	100.0
62.98540	0.2
68.28452	0.2
69.96256	0.8
72.22859	0.2
78.95924	0.6
98.20583	0.3
129.41449	0.2
133.25491	0.2
152.99643	0.5
174.26370	0.2
277.21759	1.8
278.01318	0.2
278.22125	0.6
305.75467	0.2
323.12827	0.2
356.23038	0.2
437.76929	0.3
502.29257	0.5
505.30573	0.3
579.30499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.28
Annotation	Dracunculifoside M
Peak:m/z	Relative Intensity
59.01377	10.5
61.98826	29.7
66.91521	0.4
71.01382	2.4
75.00865	3.0
77.03982	0.6
79.88908	0.4
85.02942	0.9
88.98780	0.5
89.02454	1.2
101.02439	1.4
105.03453	1.0
105.20583	0.4
107.35914	0.5
113.02437	0.7
117.03468	1.5
132.02177	2.1
133.02948	37.4
134.03671	1.3
135.04520	11.4
137.02493	0.5
161.02431	100.0
162.02757	1.7
177.05557	0.8
179.03487	6.5
180.10449	0.4
234.47333	0.4
281.06516	0.6
300.25418	0.4
376.86273	0.4
388.92664	0.4
427.31891	0.5
475.34308	0.6
503.33896	0.7
519.33063	2.0
532.53204	0.4
579.28015	66.7
580.28375	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	579.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03433	1.1
59.01377	58.1
61.98829	9.1
69.03448	1.5
71.01382	30.5
72.99306	2.0
73.02943	18.0
75.00864	3.8
83.01382	5.3
85.02943	6.4
87.00864	3.6
88.98780	2.7
89.02436	10.9
89.12179	1.3
93.03480	1.6
95.01355	2.0
97.02991	1.7
99.00893	1.3
101.02432	24.8
104.20203	1.1
104.97599	1.2
113.02441	9.2
116.92856	4.2
119.03494	4.0
119.05044	1.5
119.18823	1.4
123.04519	2.6
124.75293	1.2
125.02424	6.3
126.04910	1.3
131.03493	1.9
133.02977	2.5
135.03006	2.1
145.02934	4.8
151.93504	1.3
156.40976	1.2
160.01642	2.5
161.02406	2.1
161.04503	1.9
163.04010	1.9
167.03488	5.2
169.01431	3.4
175.03944	4.3
176.04582	1.4
179.03502	1.8
181.64293	1.6
183.13869	3.2
191.05632	1.7
193.05074	1.9
195.13916	14.8
213.14905	6.6
271.06113	2.3
295.08292	1.4
357.19125	6.7
375.20203	24.8
417.21243	100.0
418.21542	5.8
535.15820	2.0
535.23907	34.5
536.24243	1.7
579.23138	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56283	5.0
59.01380	100.0
59.90657	4.4
61.98818	5.8
66.01918	5.3
66.91731	4.4
71.01383	60.1
71.28732	7.2
73.02950	16.4
75.00878	14.5
75.59181	5.1
78.21326	4.9
83.01373	7.8
85.02942	20.4
89.02428	40.0
99.00869	7.1
101.02438	26.7
103.84000	4.6
108.02227	5.1
109.02937	6.3
111.00893	8.5
113.02454	28.8
119.03497	17.0
120.10880	4.2
125.02432	6.3
135.02965	11.2
135.04527	11.5
141.87318	5.0
146.03717	5.5
147.02969	5.8
150.03246	7.6
161.04477	8.6
165.05659	7.6
169.01343	9.1
175.59898	4.8
179.03474	16.1
179.05600	10.6
179.07025	4.9
191.07106	9.8
195.06625	7.5
283.02444	8.5
327.12469	21.9
329.31299	4.4
345.13293	7.6
349.29889	4.7
355.08331	6.1
399.07556	5.0
401.14545	6.3
468.95856	5.9
475.22003	25.5
493.22833	18.8
535.20325	19.6
557.95038	5.1
579.13025	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	579.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03535	3.8
51.03789	3.8
53.61180	4.0
55.01888	4.2
58.00603	3.5
59.01380	100.0
61.31793	3.6
63.62766	4.2
71.01383	56.5
71.22379	10.1
73.02937	14.3
75.00873	9.7
79.78268	3.8
81.72105	3.6
83.01382	10.5
85.02968	20.1
87.00880	13.2
89.02448	36.5
93.03454	5.8
95.01379	8.1
96.96009	7.3
99.00891	5.0
101.02441	25.9
108.02170	6.8
111.00879	7.4
113.02451	23.7
115.00365	9.7
119.03475	16.5
120.13967	4.0
120.46066	3.9
125.02436	5.0
129.02000	4.0
130.51823	4.5
135.04482	5.4
138.02950	4.7
139.00296	4.8
149.93651	3.6
150.03188	7.0
152.01138	6.8
156.71581	4.1
157.01437	6.2
161.02478	12.8
161.04568	8.8
165.05527	9.2
175.02489	25.1
195.06633	7.3
202.77145	3.8
323.07596	4.9
422.18686	4.0
475.21780	50.5
476.22321	5.8
493.22754	23.6
559.56378	4.9
579.20740	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	579.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58253	2.1
57.03463	2.8
59.01365	8.0
61.98824	2.2
71.01379	5.0
71.51447	2.3
71.51827	2.2
72.99314	3.7
75.00860	16.0
80.19038	1.9
83.01366	3.0
89.02452	6.9
93.03439	3.8
95.05026	3.9
96.96011	6.3
97.02943	9.4
101.02379	2.8
108.02158	2.9
109.02952	37.0
119.05025	6.5
121.02943	4.8
122.03663	3.6
123.04507	17.4
125.02458	23.7
126.02708	2.6
135.02011	4.2
135.02997	67.1
135.04509	23.8
137.02461	15.6
139.04048	2.6
146.03722	2.5
149.02419	4.1
151.03992	9.5
159.04518	5.4
161.02441	6.5
161.06070	7.2
163.03976	9.2
165.01851	2.7
167.03552	3.0
174.03284	2.4
175.02304	2.1
175.03949	3.1
179.03494	22.0
187.04018	5.3
188.04756	5.3
203.07123	11.2
205.04959	7.8
211.18694	2.5
221.08179	2.5
226.06317	2.9
227.07169	5.4
245.08176	15.2
245.57657	2.7
255.02884	6.8
255.10246	23.4
267.06790	3.2
283.02499	11.1
285.04041	9.2
289.07166	100.0
290.07495	7.6
297.11307	5.9
299.09280	3.9
327.12378	6.2
343.08197	11.8
345.13174	2.9
375.14487	3.9
382.10074	2.4
461.10934	9.3
579.13086	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	579.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36313	0.3
57.03465	0.3
59.01380	6.5
61.98831	8.3
63.02405	1.9
65.00324	7.4
67.01919	0.4
67.65851	0.3
71.01368	2.0
75.00874	1.3
83.01384	4.6
85.02958	0.7
85.15253	0.3
89.02457	0.7
93.03460	5.3
95.01310	0.3
97.02956	0.5
101.02461	0.9
107.01392	14.3
108.02183	0.6
109.02937	0.7
117.03467	4.4
119.05030	31.2
120.05370	0.7
121.02947	0.8
125.02448	4.4
131.01396	0.9
132.02196	0.5
133.02963	11.9
135.00919	0.5
135.04517	2.9
137.02478	1.6
143.05009	0.6
145.02957	16.1
149.02429	0.6
151.00369	48.4
152.00925	1.2
153.01913	0.5
161.02444	32.5
161.06084	1.5
162.02786	0.7
163.04021	2.5
164.01189	0.4
165.01944	2.5
166.11174	0.3
169.01436	0.7
175.00331	2.8
177.01935	4.9
179.03461	2.2
185.06055	1.8
187.04045	2.1
189.02074	0.5
191.05566	0.4
193.01422	1.1
203.07057	0.4
205.05025	0.9
227.07097	2.1
229.05048	0.5
253.05025	0.4
264.68494	0.4
265.07205	2.2
271.06110	100.0
272.06473	3.2
285.07834	0.4
295.06091	3.2
307.08231	12.0
308.08606	0.5
313.07220	1.6
335.05527	0.7
379.04498	0.8
423.72183	0.3
433.11475	0.8
459.09384	1.1
519.32538	0.5
579.15021	8.9
579.27936	23.3
580.15320	0.8
580.28094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48710	16.0
55.62138	15.7
61.98841	100.0
71.52439	26.8
82.73920	18.9
99.09111	16.8
115.01801	17.8
134.18314	15.9
218.44054	16.6
339.23193	38.0
515.35449	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	579.1353
Annotation	Leucoside
Peak:m/z	Relative Intensity
59.01365	1.8
61.98823	1.0
71.01378	0.5
75.00903	1.2
77.57408	0.5
89.02393	0.7
93.03462	0.9
96.96012	0.9
107.01405	0.6
109.02957	1.6
113.02474	0.5
113.55985	0.5
117.03440	0.7
122.03752	0.6
125.02401	1.1
131.60220	0.5
135.03006	2.6
137.02487	0.7
151.00424	1.2
155.05029	0.5
156.49919	0.5
159.04425	0.8
171.04553	0.7
182.03795	0.7
183.04526	3.1
211.03999	2.8
227.03526	4.5
227.07204	0.7
249.66084	0.5
255.02969	41.8
255.10068	3.1
256.03519	1.3
270.18112	0.6
283.02451	100.0
284.03076	6.6
285.04022	54.3
286.04361	2.1
297.11099	1.0
311.46133	0.6
327.05072	2.5
327.12576	1.3
343.08157	1.6
417.08243	13.6
446.02271	1.3
446.08511	26.7
447.09158	11.4
459.09372	0.9
461.10629	1.1
579.13495	54.3
580.14063	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	579.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36313	0.3
57.03465	0.3
59.01380	6.5
61.98831	8.3
63.02405	1.9
65.00324	7.4
67.01919	0.4
67.65851	0.3
71.01368	2.0
75.00874	1.3
83.01384	4.6
85.02958	0.7
85.15253	0.3
89.02457	0.7
93.03460	5.3
95.01310	0.3
97.02956	0.5
101.02461	0.9
107.01392	14.3
108.02183	0.6
109.02937	0.7
117.03467	4.4
119.05030	31.2
120.05370	0.7
121.02947	0.8
125.02448	4.4
131.01396	0.9
132.02196	0.5
133.02963	11.9
135.00919	0.5
135.04517	2.9
137.02478	1.6
143.05009	0.6
145.02957	16.1
149.02429	0.6
151.00369	48.4
152.00925	1.2
153.01913	0.5
161.02444	32.5
161.06084	1.5
162.02786	0.7
163.04021	2.5
164.01189	0.4
165.01944	2.5
166.11174	0.3
169.01436	0.7
175.00331	2.8
177.01935	4.9
179.03461	2.2
185.06055	1.8
187.04045	2.1
189.02074	0.5
191.05566	0.4
193.01422	1.1
203.07057	0.4
205.05025	0.9
227.07097	2.1
229.05048	0.5
253.05025	0.4
264.68494	0.4
265.07205	2.2
271.06110	100.0
272.06473	3.2
285.07834	0.4
295.06091	3.2
307.08231	12.0
308.08606	0.5
313.07220	1.6
335.05527	0.7
379.04498	0.8
423.72183	0.3
433.11475	0.8
459.09384	1.1
519.32538	0.5
579.15021	8.9
579.27936	23.3
580.15320	0.8
580.28094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08441	0.7
56.39177	0.8
57.03437	1.6
59.01382	18.8
61.98829	14.2
63.02400	1.1
65.00328	4.0
69.03452	0.8
71.01370	2.4
71.53584	1.0
73.02948	1.3
75.00868	1.1
75.17603	0.7
81.03455	1.6
83.01393	5.4
85.02940	1.8
89.02421	1.3
93.03469	3.7
96.96076	0.8
99.00878	1.1
101.02417	1.7
107.01401	12.5
107.05001	1.2
108.02145	2.1
108.26274	0.9
109.02969	0.9
115.05515	1.6
116.92853	3.3
117.02645	1.5
117.03468	20.8
119.05025	28.7
121.02979	0.9
123.00853	0.8
123.87851	0.9
125.02454	4.1
130.54990	0.7
133.02940	3.3
135.00880	1.7
135.04500	3.3
137.02464	1.4
143.05026	45.2
144.05341	0.8
145.02951	64.4
146.03372	1.3
147.00822	0.8
151.00365	20.7
152.01137	6.0
157.06570	1.6
161.02422	11.5
161.04732	0.8
161.06030	3.9
162.02820	1.0
163.04007	5.8
164.01141	1.5
165.01891	2.1
169.01344	1.4
169.74242	0.7
175.00330	0.8
177.01965	3.6
179.03484	1.8
183.08153	1.7
184.05292	1.1
185.06065	17.8
187.03966	1.8
190.02679	3.5
191.05537	1.1
196.00154	1.5
203.07126	4.2
205.04997	4.3
227.07133	47.7
228.07559	1.3
243.06619	2.7
271.03128	1.0
271.06107	20.8
272.06470	0.8
289.08771	1.1
307.08279	7.6
362.04578	0.8
379.04492	2.5
379.87964	0.7
417.21353	1.0
420.31931	0.8
433.11386	2.3
451.13870	8.9
471.11469	2.7
519.32745	1.4
535.15894	3.5
535.32184	1.0
579.15070	100.0
579.28058	12.5
580.15442	8.9
580.24854	1.1
580.27869	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
60.33683	0.2
60.89923	0.2
61.63582	0.2
61.98830	100.0
69.31369	0.5
69.31757	2.0
86.29038	0.2
86.80495	0.2
98.42152	0.2
109.72167	0.2
112.84030	0.2
148.90019	0.2
262.86285	0.2
376.17816	0.2
379.06897	0.3
387.90036	0.2
497.03598	0.3
518.32391	0.3
519.33032	0.4
579.36060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
61.98829	100.0
64.46820	0.1
69.88713	0.9
93.79995	0.2
148.53461	0.2
161.02490	0.6
197.35640	0.2
198.14542	0.2
217.31799	0.2
413.29556	0.2
568.05927	0.2
579.28815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.90694	0.5
70.60663	0.5
71.01389	0.8
78.95918	0.6
79.95746	0.8
80.96522	4.0
85.02948	0.5
89.16607	0.4
94.98099	0.5
106.98102	0.4
125.02458	0.9
167.03531	0.5
171.28282	0.5
177.01865	0.4
250.98639	0.5
256.33017	0.5
258.48526	0.5
279.23257	0.7
441.12866	0.5
473.77975	0.6
579.28278	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	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43505	0.6
54.53822	0.6
58.46387	0.6
59.01375	24.3
61.98825	1.1
69.38197	4.1
69.38599	1.3
71.01371	2.0
78.95899	21.9
78.98582	1.4
79.95724	3.2
80.45895	0.7
80.96514	19.9
82.96069	0.9
94.98103	3.4
95.71519	0.6
96.95932	0.7
100.54285	0.6
101.02413	1.1
109.08935	0.7
134.97554	1.0
148.99161	1.5
152.96886	0.6
152.98497	1.5
152.99617	2.6
164.98569	2.2
168.04298	3.0
192.53851	0.6
202.89523	0.6
224.06909	8.1
225.00658	2.2
226.01091	1.1
242.07964	2.7
242.66441	0.7
251.43428	0.8
279.23267	100.0
280.23590	4.6
331.04318	0.7
448.43832	0.8
485.99863	0.7
504.30942	62.1
505.31406	4.3
537.01569	0.8
578.27185	26.3
579.26831	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	578.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60156	0.5
57.02045	0.5
59.01382	8.7
61.98829	100.0
62.98534	2.3
63.96237	0.7
63.99256	9.5
65.21329	0.5
66.09949	0.6
66.37770	0.5
71.01368	4.0
71.53735	0.6
73.02957	1.0
78.95917	2.3
78.98587	3.2
79.95741	6.7
80.96517	42.5
81.96480	1.4
82.96113	1.2
85.02955	1.8
87.00870	2.1
94.98085	8.3
96.96015	0.8
97.02970	1.1
99.00892	0.6
101.02448	1.9
106.98108	1.5
113.02414	0.7
115.89163	0.6
122.97591	1.7
125.02476	1.8
134.97566	2.3
136.84187	0.8
136.99084	1.0
140.77715	0.6
147.55310	0.6
148.99158	3.0
152.98582	3.1
164.98619	6.7
165.98817	1.2
225.00742	6.2
226.01094	1.6
242.07994	1.4
277.21765	0.8
278.21915	1.1
279.23279	48.7
280.23672	2.3
299.04300	1.5
300.04889	1.3
324.25464	0.6
396.99747	0.7
504.30923	16.1
505.31171	0.8
516.27338	0.6
578.27167	72.9
579.26947	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	577.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09526	0.3
59.01380	100.0
60.01704	0.4
61.98835	4.1
63.18243	0.3
66.88271	0.3
69.31919	2.8
71.01389	0.3
71.33334	0.3
75.00880	0.9
76.00310	0.3
85.48475	0.3
86.90015	0.3
94.46153	0.4
107.18051	0.3
133.02956	0.9
145.02887	0.4
161.02440	2.5
163.42874	0.3
177.33856	0.3
455.31436	0.6
503.34232	0.4
517.31525	1.7
577.13715	0.8
577.26563	1.4
577.34686	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	577.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86819	0.4
57.19844	0.4
58.74034	0.4
59.01378	100.0
60.01724	0.4
61.98830	15.1
69.23544	3.6
73.02969	0.4
78.95921	0.4
85.26523	0.4
125.02419	0.7
149.91885	0.4
153.94977	0.4
163.75397	0.4
191.30023	0.4
255.02954	0.5
274.92181	0.4
286.35471	0.4
349.77734	0.4
417.27750	0.7
419.29730	1.8
433.27863	0.5
437.30521	3.7
451.28812	0.9
455.31604	7.9
456.31799	0.5
469.29483	2.3
473.32678	5.2
474.32840	0.8
505.20688	0.4
517.31921	3.5
518.32025	0.7
530.81555	0.4
577.33783	13.7
578.34332	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	577.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59472	0.4
55.05333	0.5
57.03451	0.5
58.39885	0.5
59.01379	100.0
60.69966	0.4
61.98832	8.0
62.66649	0.4
63.57757	0.4
69.27480	0.6
69.27876	4.1
71.05012	0.7
75.00895	1.1
79.62827	0.5
82.48577	0.5
93.03444	0.5
101.02473	0.8
131.03517	0.4
161.02502	1.3
193.73210	0.4
211.13425	0.7
239.73285	0.5
270.52673	0.5
285.03958	0.5
455.31735	2.0
473.33160	1.0
517.31628	13.3
518.32379	1.3
577.26526	1.2
577.34259	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.3
59.01379	13.1
60.99307	0.4
61.98808	0.7
70.99740	0.3
71.01373	2.8
72.99312	2.8
73.02943	0.3
75.00871	26.6
83.01395	0.4
85.02950	0.8
85.39527	0.3
87.00874	0.6
88.98801	1.3
89.02440	6.3
89.28571	0.3
98.20628	0.9
99.00888	0.5
101.02443	1.2
110.91813	0.3
111.00945	0.3
113.02427	0.9
117.01958	1.8
119.04996	0.3
125.02435	0.9
133.02960	0.8
133.33635	0.3
135.02995	100.0
136.03308	0.8
136.98782	0.3
139.00356	0.3
141.70120	0.3
161.02432	2.5
161.04526	0.4
163.04013	0.3
168.00647	0.6
169.01430	0.4
175.38808	0.2
177.04074	0.3
179.03482	0.3
235.61852	0.3
285.04028	0.3
373.22366	1.2
383.11169	0.4
415.12396	1.5
415.23422	0.6
425.14444	0.6
447.09439	0.3
452.81210	0.3
459.14899	0.9
463.09134	0.4
482.27692	0.3
487.12662	0.4
577.15808	1.7
577.25073	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	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81155	0.6
59.01363	2.0
61.98817	1.3
63.96247	1.4
67.15685	0.5
71.01376	7.7
73.02948	1.8
78.95913	2.2
78.98593	6.2
79.95731	9.9
80.96519	69.5
85.02968	3.2
87.00870	2.3
94.98096	16.8
96.96010	1.5
97.02953	1.4
101.02413	3.2
102.41277	0.6
106.98087	3.2
110.54908	0.6
116.86320	0.6
122.97605	3.3
125.02455	2.3
127.03950	1.0
133.76865	0.6
134.97588	5.6
136.99139	1.2
148.99124	7.1
152.98619	5.7
164.98630	11.7
167.00201	0.9
206.99672	2.8
225.00742	14.6
277.21695	1.5
279.23297	7.4
298.82773	0.6
299.04395	2.7
487.90598	0.6
504.31021	4.1
518.38110	0.6
522.98975	0.6
577.26874	100.0
578.27167	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	577.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
58.00589	0.9
59.01376	30.8
63.13132	0.8
71.01382	14.0
71.73788	0.7
72.99296	2.9
73.02937	0.9
75.00870	43.5
83.01386	1.2
85.02958	5.8
87.00846	2.0
89.02448	13.6
98.19883	3.2
99.00876	1.5
99.04515	1.6
101.02454	7.9
109.02979	1.0
111.00824	0.7
113.02465	4.2
119.03506	4.9
119.23100	0.8
129.01964	5.4
147.02991	14.5
151.03961	1.1
161.04594	1.2
161.13315	4.7
164.00909	0.8
165.04036	81.7
166.04370	1.7
168.74333	0.8
179.05589	1.8
179.07094	1.1
181.05072	3.8
187.11212	1.6
205.10559	1.0
205.12349	11.8
229.81500	1.2
249.11273	7.9
252.50577	0.9
328.67941	0.9
343.11600	1.1
357.27734	0.9
379.14307	0.9
385.18726	1.1
397.14990	5.8
429.17587	7.4
553.55762	0.9
559.20264	1.1
577.21332	100.0
578.21350	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	577.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90131	0.8
57.03434	3.3
58.00600	1.2
59.01379	46.3
62.15116	0.8
69.26151	7.6
71.01009	1.7
71.01382	23.8
72.99300	4.6
75.00871	41.9
83.01379	2.7
85.02953	7.2
87.00874	2.8
89.01932	1.6
89.02444	21.6
95.01390	1.4
98.19960	2.1
99.00867	1.6
99.04514	3.1
101.02439	12.6
111.00881	2.5
113.02447	7.0
119.03513	8.6
129.01904	5.7
135.03024	5.2
135.04555	1.4
143.03546	0.9
147.02985	16.6
148.20679	0.9
161.02432	2.0
161.04546	1.4
161.13336	6.4
165.04042	76.2
166.04408	1.5
179.05630	3.7
187.11224	4.4
205.12337	20.8
249.11313	15.4
259.87036	0.9
262.82599	0.9
357.52637	0.9
379.13754	2.4
397.14948	13.8
429.17645	11.9
559.20123	2.3
577.21320	100.0
578.21704	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	577.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69867	1.1
55.01872	2.4
57.03436	3.9
57.57697	1.3
59.01379	42.7
69.38278	2.4
69.38676	8.4
71.01384	20.7
72.99298	4.5
73.02942	2.4
75.00873	42.7
83.01365	2.9
85.02969	8.7
87.00861	1.9
89.02443	21.4
95.01354	1.7
98.20682	2.5
99.00909	2.4
99.04533	1.7
99.20190	1.3
101.02433	10.7
105.01963	1.6
109.02924	1.5
111.00912	3.3
113.02449	10.8
119.03510	8.7
129.01949	10.6
132.07715	1.5
147.02972	14.2
161.04562	1.6
161.13319	10.3
165.04039	82.4
179.05598	5.1
181.05098	3.7
184.80597	1.2
187.11261	2.6
193.05121	1.6
205.12312	13.8
249.11304	13.9
276.13107	1.4
379.13947	3.5
397.15045	5.0
429.17557	11.9
559.20496	2.4
577.21381	100.0
578.21808	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	577.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
57.03451	1.8
58.00590	2.0
59.01376	50.1
68.02081	1.4
69.38015	12.2
69.38336	1.7
71.01382	27.9
72.99285	7.0
73.02921	2.4
75.00874	35.3
83.01405	3.4
85.02952	8.3
87.00888	1.8
88.30205	1.8
89.02440	23.7
95.01372	1.9
99.00832	1.6
99.04472	2.2
101.02447	15.1
111.00850	3.6
111.04520	1.8
113.02446	8.8
119.03498	10.4
125.02437	2.0
129.01929	9.4
135.02963	4.5
140.98306	1.3
143.03479	2.4
147.02991	14.7
149.04636	1.6
156.00766	1.4
161.02441	3.4
161.04520	2.3
161.13348	7.0
165.04033	65.7
166.04451	1.6
179.05582	5.8
187.11238	3.5
205.12309	20.9
238.40295	1.4
249.11324	17.3
334.97668	1.5
379.14056	8.0
385.18643	1.7
397.15054	11.5
429.17584	16.0
559.20398	2.9
577.21344	100.0
578.21893	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	577.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83795	0.3
57.98889	0.3
59.01379	9.8
60.93121	0.4
61.98829	5.1
62.87263	0.4
63.02401	0.5
65.00321	0.8
72.99306	0.6
82.12539	0.3
83.01399	0.7
85.02963	0.7
91.01841	0.5
93.03459	1.2
95.01357	0.4
96.88750	0.3
99.00870	0.6
107.01376	1.0
117.03447	1.1
119.05035	0.6
121.02927	0.8
125.01622	0.4
125.02464	1.4
133.02937	1.6
135.00874	0.7
135.04472	0.7
145.02957	1.5
147.04526	0.5
151.00388	3.3
153.01813	0.4
155.05032	0.4
159.04521	0.4
161.02464	4.1
163.00357	0.7
165.01978	0.4
167.05069	0.4
169.01405	0.5
171.04477	0.4
175.04019	0.6
178.99820	0.7
179.03516	0.5
183.04506	2.6
185.06049	0.9
187.04005	0.8
189.05411	0.4
190.02631	0.5
191.05530	0.5
199.03992	0.8
201.05531	0.4
211.03960	3.6
213.05388	0.4
226.02678	0.7
227.03490	88.6
228.03911	3.3
229.05011	1.6
239.03365	0.7
241.04974	0.6
255.02979	100.0
256.03650	10.1
257.04526	1.1
268.03711	1.0
269.04544	1.7
284.03256	55.8
285.04004	25.1
286.04471	0.7
296.03296	0.5
327.04990	1.8
429.07843	0.5
500.50610	0.5
533.34167	0.5
576.39990	4.1
577.13495	93.3
577.26062	2.9
578.13861	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	577.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78633	0.4
54.30030	0.4
54.83800	0.5
56.49735	0.4
59.01375	7.9
61.98835	3.3
81.02770	0.4
83.01373	1.1
83.67837	0.5
90.10906	0.4
93.03452	0.5
101.02367	0.5
107.01373	0.6
125.02428	1.4
133.02948	0.8
137.16194	0.5
139.79373	0.5
143.76787	0.5
145.02960	1.2
149.25607	0.5
151.00348	2.4
159.04469	0.8
161.02457	3.4
163.00420	1.3
163.04129	0.5
167.05164	0.6
171.04556	0.5
175.03998	0.5
178.99855	0.8
179.03517	0.6
183.04497	2.6
184.37270	0.4
185.02260	0.5
187.04001	0.8
191.05527	0.6
211.03987	2.5
213.05652	0.7
227.03488	79.7
228.03859	2.3
229.04985	2.1
239.03772	0.8
241.05052	0.6
255.02977	100.0
256.03641	10.1
257.04459	0.5
268.03717	0.7
269.04486	1.4
284.03256	54.8
285.03992	24.6
286.04437	0.7
327.05038	1.5
361.28210	0.5
429.08215	0.7
448.37085	0.5
576.39972	2.8
577.13483	99.6
578.13684	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	577.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59464	0.5
57.03436	0.5
59.01373	6.5
69.35242	3.0
69.35649	0.7
71.01379	3.9
72.99302	0.6
74.75779	0.4
75.00870	3.1
85.02940	0.9
89.02439	2.5
93.03432	0.6
95.01408	0.7
96.96010	2.0
98.95589	1.9
101.02457	1.9
108.02164	1.8
109.02946	28.5
113.02448	1.1
119.03471	1.0
120.02170	0.5
120.05399	0.4
121.02937	1.3
123.00901	1.4
123.04516	4.0
124.01685	0.9
129.01938	0.6
133.02960	1.5
134.03769	2.6
135.04485	1.2
136.00595	0.7
136.01657	15.1
137.02449	1.5
139.04106	0.4
145.02919	1.3
146.03734	5.7
147.03011	1.1
147.04594	0.4
148.01675	4.7
149.02419	2.4
149.06058	2.0
150.03198	3.5
151.04002	24.8
153.05583	5.3
161.02426	4.2
161.06079	1.6
161.13290	1.0
162.03189	0.8
163.04010	14.0
164.01141	6.8
164.04779	5.2
165.01935	5.1
165.04031	5.9
165.05531	1.5
166.02704	21.8
167.03470	3.6
171.71754	0.4
171.80238	0.4
175.03989	0.5
177.01959	1.2
178.02699	5.6
179.03503	2.0
179.05653	0.8
179.07114	16.7
181.05057	100.0
182.05377	1.9
192.04367	0.7
193.05051	25.4
194.02126	0.5
194.05432	0.8
205.12370	2.5
207.06677	1.0
211.06107	22.4
226.06389	0.6
239.07523	0.5
249.11333	3.2
254.05843	4.8
255.06606	1.5
268.07401	0.6
269.08197	8.4
270.08975	2.2
283.09647	1.0
284.10532	1.6
285.11182	0.8
298.08350	1.0
310.01001	0.7
310.08365	0.6
313.10776	2.7
328.09567	1.7
343.11844	11.5
373.12833	5.2
385.18964	0.5
397.14871	0.7
399.71185	0.5
429.17529	2.6
515.08704	0.9
517.17780	0.7
533.09509	1.0
547.18939	0.5
559.01855	0.9
577.13147	0.8
577.21313	7.3
578.21906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1351
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
57.03447	13.7
59.01373	1.7
69.60974	1.6
69.61395	2.7
71.01374	0.9
74.73546	0.7
81.03459	2.1
82.09864	0.7
83.01386	4.3
87.00698	0.6
89.02391	0.7
93.03456	1.4
93.81715	0.6
95.05019	2.4
97.02965	2.7
98.19982	1.2
101.02425	1.0
109.02950	13.7
111.04563	0.7
117.03484	0.9
121.02949	2.9
122.03736	1.7
123.04510	11.6
124.70235	0.7
125.02444	100.0
126.02815	0.9
133.02055	0.7
133.02934	3.8
135.04559	2.2
136.01595	0.8
137.02440	19.4
139.04028	1.7
145.02942	1.1
146.03751	0.9
149.02444	3.9
150.03226	1.1
151.04010	10.9
159.04523	2.6
161.02440	23.5
161.06038	4.2
162.03177	2.3
163.00351	1.5
163.04019	3.1
164.01167	3.7
165.01891	3.5
165.03989	1.2
166.02716	0.9
167.03513	1.1
173.05977	1.3
175.03995	7.2
175.07576	1.1
176.01247	0.8
177.01956	4.1
179.03477	3.3
181.05084	2.7
187.02437	1.9
187.04016	5.2
188.04747	2.3
189.05569	1.0
191.05678	0.8
193.05037	1.0
201.05417	0.8
202.06245	1.3
203.03497	1.3
203.07115	7.5
205.01418	1.8
205.05058	7.4
211.03925	1.4
215.03448	1.5
217.05046	1.4
219.03098	0.8
221.08118	1.3
227.03409	1.1
227.07111	1.8
229.05014	2.5
243.03027	2.5
245.04491	3.1
245.08168	11.6
247.06329	1.0
255.03017	4.8
256.03815	1.6
257.04608	1.6
269.04541	0.8
273.03903	3.6
281.04553	1.9
285.03894	1.4
287.05603	6.5
289.07166	50.8
290.07477	2.6
297.07584	1.0
299.05573	5.1
301.00204	1.0
328.28201	0.8
329.06583	1.1
339.08841	1.8
343.11679	0.9
381.09680	2.5
407.07693	39.6
408.08105	1.2
425.08719	15.0
426.09232	1.7
451.10226	9.0
577.13489	6.0
577.21429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1351
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
57.03445	13.7
75.99864	1.0
76.53689	1.1
79.18604	1.2
81.03458	2.2
83.01374	5.6
88.33250	1.0
93.03448	2.4
95.05009	2.4
97.02946	4.4
98.19846	2.6
99.04480	1.4
101.71356	1.0
105.52651	1.3
108.02170	1.5
109.02946	19.8
117.03426	1.4
121.02937	4.5
122.03767	1.2
123.04529	13.2
125.02449	100.0
126.02763	1.3
133.02931	4.0
135.04501	2.4
137.02440	20.4
139.03984	3.1
146.03691	2.0
147.04526	1.9
149.02435	6.2
151.03999	12.7
157.06569	1.1
159.04536	3.1
160.05376	1.1
161.02438	27.1
161.06062	4.3
162.03154	2.2
163.00388	2.4
163.03914	2.7
164.01109	4.8
165.01907	4.4
173.06059	1.9
175.04005	11.6
177.01918	7.2
177.05571	1.6
179.03455	4.6
185.06143	1.1
187.04018	9.0
188.04758	3.4
193.05014	1.4
201.05652	1.6
203.03519	2.4
203.07124	12.7
205.01286	2.8
205.05026	8.0
211.03941	1.2
212.04814	1.1
213.05504	2.7
215.03532	2.0
217.05035	2.2
221.08232	1.6
227.03421	1.9
227.07062	2.0
229.04970	3.9
230.05702	1.6
231.06642	1.3
235.08151	2.0
243.02911	4.7
243.06587	1.4
245.04585	5.5
245.08208	11.7
253.05070	1.1
255.02963	10.8
256.03693	3.8
257.04645	2.7
269.04565	2.9
273.04010	5.0
281.04486	4.5
283.02563	1.4
285.04068	3.5
287.05554	7.0
289.07184	73.7
290.07593	2.2
297.04193	1.7
299.05536	6.9
329.06604	1.7
339.08615	3.5
381.09732	2.6
407.07718	66.8
408.08041	4.2
425.08655	20.9
432.24292	1.2
441.19977	1.1
451.10239	14.5
460.42004	1.2
559.12158	1.4
577.13202	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	577.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.7
69.68353	1.2
74.73885	1.4
78.34180	1.2
81.03457	1.4
82.01917	1.3
83.01388	4.5
93.03448	2.0
95.05003	3.0
97.02942	4.7
101.23344	1.4
107.05003	1.6
108.02126	1.5
109.02233	2.2
109.02940	19.2
121.02927	3.2
122.03738	2.3
123.04523	16.0
125.02447	100.0
126.02784	2.0
133.02957	3.8
135.04514	3.1
137.02446	18.3
138.03217	2.0
139.03993	3.8
147.04491	1.9
149.02417	5.4
151.03979	13.7
159.04449	4.0
161.02446	31.1
161.06039	2.9
162.03087	1.3
163.00319	2.3
163.03992	4.4
163.53775	1.4
164.01100	4.1
165.01894	5.5
167.03438	3.1
173.02414	1.4
175.03999	8.6
177.01926	5.8
177.05502	2.9
179.03481	5.4
185.06090	1.5
187.03984	7.4
188.04784	3.0
201.05579	2.1
203.03444	2.4
203.07129	10.6
205.01357	2.0
205.05057	9.9
211.03880	1.2
221.08046	1.8
227.03477	2.6
229.05020	3.0
229.45244	2.0
243.02945	2.0
243.06857	1.2
245.04520	5.5
245.08200	13.6
247.05977	1.8
253.05267	1.6
255.02974	7.9
256.03690	6.0
257.04459	2.3
260.30951	1.4
269.04495	2.2
273.03986	4.1
281.04355	3.1
285.04016	3.2
287.05594	8.8
288.02570	1.4
289.07190	71.2
290.07449	3.5
299.05533	5.1
329.06732	1.5
339.08627	3.9
381.09796	2.5
391.84225	1.4
407.07684	62.1
408.08234	2.9
425.08801	21.3
451.10327	12.8
465.77844	1.6
577.13110	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	577.1347
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03445	13.3
65.03958	1.2
66.85365	1.1
75.74320	1.1
79.34260	1.2
81.03445	1.9
83.01376	4.8
93.03432	2.2
95.05009	1.1
97.02934	4.3
109.02954	19.7
117.03441	1.6
121.02940	4.3
122.03729	2.0
123.04533	14.8
125.02448	100.0
125.92900	1.1
133.02911	4.1
135.04530	2.0
137.02438	21.1
139.03990	3.5
146.30428	1.2
146.79837	1.2
147.04559	1.2
149.02457	6.1
151.03992	13.0
159.04480	2.6
161.02443	26.3
161.06032	3.9
161.07253	1.2
162.03128	2.6
163.00375	2.2
163.03951	3.5
164.01120	4.9
165.01889	5.3
167.03499	2.3
174.03192	2.0
175.04004	10.9
177.01892	7.5
179.03462	5.0
185.06108	1.6
187.03975	8.1
187.40337	1.3
188.04797	4.0
189.05653	1.4
201.05478	2.6
203.03506	1.5
203.07130	7.9
205.01413	2.2
205.05089	5.9
213.05519	1.7
215.03519	2.0
227.03474	2.2
227.07033	1.6
229.04987	1.9
243.02980	1.4
245.04579	7.0
245.08124	12.9
247.06062	3.5
255.03009	8.5
256.03723	5.2
257.04459	2.7
269.04532	2.6
271.05850	1.4
273.04010	6.1
281.04507	3.6
283.02667	2.0
285.03961	3.4
287.05582	8.5
289.07190	60.7
290.07419	1.8
297.03989	2.0
297.07315	1.4
299.05466	5.9
329.06680	1.8
339.08624	4.0
381.09717	3.7
407.07706	65.2
408.08044	2.9
423.79395	1.2
425.08786	22.4
426.08957	1.7
451.10400	14.7
577.13806	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	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40363	0.3
61.85029	0.3
61.98830	100.0
65.92889	0.3
74.44956	0.3
74.79857	0.3
80.96532	0.4
98.19881	0.9
155.23474	0.3
227.24802	0.4
282.41998	0.4
344.88370	0.3
406.06717	0.3
486.00500	0.3
507.61386	0.3
577.27118	0.6
590.15057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58081	0.2
58.05299	0.2
59.01380	19.3
61.44291	0.3
61.91294	0.3
61.98818	0.4
70.64050	0.3
71.01323	0.4
78.95903	6.9
94.66364	0.3
127.07605	0.2
134.06088	0.2
152.99577	1.5
168.04311	1.6
213.22134	0.2
224.06938	0.7
233.22766	0.4
242.07980	2.9
259.20624	0.5
275.20163	0.4
277.21710	100.0
278.22028	4.0
367.96201	0.3
502.29407	31.4
503.29596	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	28.3
61.98817	1.4
69.21917	3.0
71.01378	0.5
75.12814	0.4
78.95903	29.3
88.36850	0.4
91.26101	0.4
96.96947	0.5
98.35352	0.4
98.72273	0.3
103.11341	0.4
104.97462	0.4
116.39481	0.4
122.98509	0.6
142.12617	0.4
152.99606	3.9
168.04318	4.3
184.49052	0.3
201.93863	0.3
224.06931	10.8
233.22676	0.5
242.08020	3.0
259.20547	0.6
275.20248	0.8
277.21704	100.0
278.22034	4.6
286.05905	0.4
325.99484	0.3
352.28320	0.4
502.29395	75.7
503.29715	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	577.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01384	11.8
60.99310	19.0
61.98815	3.9
69.03371	1.0
69.55869	6.3
71.01378	5.8
73.02918	2.2
75.00864	1.8
85.02950	2.8
88.98808	100.0
89.02439	3.1
101.02435	2.4
107.01363	1.1
109.02911	1.2
113.02444	1.9
117.03458	2.2
119.05016	2.2
124.01578	1.1
125.02414	4.9
133.02940	5.4
135.02963	3.7
135.04530	11.9
137.02464	2.0
145.02971	13.0
149.06021	1.4
151.00529	1.1
160.01590	2.5
161.01137	1.4
161.02441	23.5
161.06096	0.9
163.03986	2.4
168.00595	1.1
169.01436	4.9
175.02414	1.5
175.03941	2.3
177.03998	1.3
177.05482	2.8
179.03511	16.0
193.04889	1.3
198.56152	1.2
221.04459	4.8
221.99631	1.2
223.13496	0.9
241.31792	0.9
251.05600	8.0
281.06665	9.7
301.00046	1.0
313.05609	1.7
323.07736	10.5
341.08737	16.1
415.19431	1.5
487.12418	30.6
488.12778	1.7
517.26068	2.1
535.27344	1.7
577.19934	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	576.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.0
61.98833	100.0
69.39673	5.5
69.40077	2.8
71.01381	4.4
85.02947	1.3
85.06591	12.5
89.02386	1.1
101.02447	2.4
109.02934	1.5
113.06131	2.3
115.04008	1.1
117.03460	1.4
125.02387	2.0
132.02174	1.1
133.02956	10.2
134.03766	1.5
135.04535	29.6
145.02940	1.4
149.06093	2.5
151.00345	1.6
157.05078	1.4
159.04488	1.1
161.02443	50.0
162.02711	1.4
167.07104	3.7
168.07484	1.7
175.04018	2.3
177.05637	6.6
179.03503	30.5
181.08900	1.2
203.03426	1.5
221.04514	9.4
235.06142	1.4
235.77312	1.0
251.05562	8.1
257.28238	1.2
281.06680	10.7
285.03516	1.3
300.99899	1.6
323.07709	59.2
324.07996	3.4
341.08740	16.3
378.85477	1.0
383.09879	12.0
495.14920	1.4
513.16339	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	576.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
60.32869	0.2
61.98829	100.0
69.44505	1.5
91.38383	0.2
91.68364	0.2
98.19890	0.3
115.92101	0.4
136.36984	0.2
141.50320	0.2
161.02501	0.2
173.42491	0.2
176.21468	0.2
229.65495	0.3
377.44907	0.2
567.75128	0.2
576.54236	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40432	0.2
59.01383	2.2
61.98831	100.0
70.84525	0.5
70.84859	0.2
70.94263	0.2
95.68790	0.2
115.92096	0.4
139.10628	0.2
174.53603	0.2
351.34384	0.2
380.20895	0.2
464.75970	0.2
576.26990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77937	0.2
58.06327	0.3
59.01387	0.3
61.98828	100.0
69.32001	2.4
73.08422	0.2
79.95730	0.4
80.96526	1.8
81.66924	0.2
82.23994	0.2
94.98107	0.4
98.20604	0.6
179.57166	0.3
234.80498	0.3
275.23291	0.3
277.21768	0.3
278.21982	0.3
577.26691	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	575.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.8
62.36759	0.6
69.24680	4.9
71.01369	3.0
85.02943	1.1
89.02456	2.5
98.19843	1.0
101.02421	2.2
103.21386	0.5
113.02447	1.6
114.00532	0.5
119.03452	0.5
144.43262	0.5
161.04494	1.3
220.24596	0.5
235.08163	2.0
253.09285	15.1
279.23273	100.0
280.23593	4.4
369.28348	0.6
501.27142	0.5
543.21716	0.7
592.54352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
59.01361	1.8
69.03455	13.7
71.05018	3.0
71.51726	1.9
74.48662	1.7
83.05049	1.5
112.42783	1.6
123.08097	3.0
125.09732	3.1
150.89297	2.1
151.11258	5.8
153.12743	2.1
161.09772	12.0
179.10768	41.8
180.11171	1.6
187.57199	1.6
197.11824	100.0
198.12091	2.6
223.09743	6.9
239.97823	1.6
241.10822	17.5
266.69412	1.7
277.21710	79.1
278.21997	5.3
297.13504	14.9
315.14398	25.5
473.03986	1.5
575.35858	75.4
576.36243	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	573.3793
Annotation	Irumanolide I
Peak:m/z	Relative Intensity
55.01865	0.6
57.03438	0.9
58.00579	0.8
59.01377	15.2
59.49792	0.2
61.25052	0.2
61.98534	0.4
61.98830	5.3
63.19960	0.2
69.03454	0.3
71.01382	4.1
71.05016	2.7
71.53096	0.4
72.99305	1.2
73.02956	1.4
75.00864	0.6
78.70909	0.2
78.95895	0.7
83.01395	2.0
83.05017	0.3
85.02953	4.1
86.00108	1.4
87.00874	0.6
88.98822	0.3
89.02428	0.7
93.03448	0.2
99.00871	0.7
101.01797	0.5
101.02442	8.9
108.02158	0.8
109.02977	0.5
113.02450	0.6
117.03423	0.4
119.05049	1.2
121.02924	0.3
123.04473	0.3
123.08128	0.3
125.02405	0.6
131.03496	6.7
133.02951	0.6
135.04494	0.9
145.02980	0.7
152.01118	2.2
152.99573	0.4
153.01913	0.6
161.02412	1.3
163.04027	0.6
165.12708	0.3
169.01468	0.5
179.03503	0.6
183.13837	0.3
200.99652	0.7
243.70970	0.2
341.24756	2.9
369.27966	0.5
416.84879	0.2
423.32986	0.5
425.30652	3.7
426.30679	0.3
441.33582	1.6
473.29056	2.2
476.09677	1.0
489.32220	1.0
501.32333	1.4
513.30823	0.5
529.35474	0.4
555.37097	0.6
557.35199	0.3
573.37933	100.0
574.38312	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	574.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
59.89687	0.2
61.98829	100.0
62.98531	0.2
68.26996	0.2
75.50555	0.2
79.55896	0.2
177.17664	0.2
371.90570	0.2
489.36487	0.4
574.34979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99597	0.3
59.01384	4.5
61.73193	0.3
61.98830	5.4
69.03475	0.3
71.01377	0.9
71.52316	0.4
71.52714	0.5
72.90849	0.3
72.99300	0.6
74.99101	1.4
75.00865	0.7
78.98585	0.3
85.02938	0.4
87.00873	1.3
88.98815	0.9
89.02450	0.5
93.03456	2.5
96.96014	0.3
99.00872	0.7
101.02453	0.9
102.98564	0.8
108.86899	0.3
117.03461	0.4
120.99650	100.0
122.00044	0.3
123.08156	0.4
125.02406	0.7
133.02957	2.0
135.03020	0.5
135.04488	0.9
137.02441	3.7
145.02934	1.6
161.02426	3.9
161.04530	0.5
163.00621	0.4
163.03970	0.5
163.71347	0.4
165.12877	0.7
179.03566	0.6
179.05478	0.3
204.58742	0.4
209.11848	0.4
211.89035	0.3
283.04819	0.9
291.19641	2.0
382.89993	0.4
413.19949	4.5
414.20471	0.5
503.33853	0.5
515.30853	0.5
575.24750	7.1
576.25531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24992	0.2
56.64333	0.2
59.01377	1.1
61.98829	1.3
67.38762	0.2
69.56517	1.3
71.01387	0.6
73.02964	0.2
74.05538	0.2
93.03497	0.6
96.96004	0.4
101.02446	0.3
108.02157	1.0
109.02927	0.6
111.04530	0.6
113.02430	0.3
116.83081	0.2
119.05062	0.4
121.02966	0.5
122.03741	11.3
123.00922	0.3
124.01655	0.8
125.02464	0.8
133.02979	0.3
135.03033	0.4
135.04486	0.4
137.02458	1.9
137.06120	0.8
149.02434	0.7
150.03212	1.3
153.01920	0.6
153.53766	0.2
154.02753	1.8
160.01656	0.2
161.02434	0.6
165.05563	1.4
167.07133	100.0
168.07449	2.7
169.01443	0.9
179.03566	0.3
187.04019	0.3
195.06622	1.3
209.08138	0.7
213.14934	0.6
226.02759	0.2
226.69205	0.2
257.08194	0.4
258.01758	0.5
258.11819	0.2
341.10721	0.5
352.02448	0.4
357.13382	0.8
373.25909	1.8
375.27402	2.2
415.26663	0.3
421.05609	2.1
422.06271	0.2
573.15228	0.3
573.22144	0.5
573.30237	0.4
593.04504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21989	0.8
59.01384	4.2
61.98812	2.5
62.19868	0.7
62.78950	0.9
68.71938	0.8
71.01381	1.2
75.00855	2.4
77.37925	1.0
84.92757	0.9
85.02966	1.0
88.98789	2.5
89.02426	2.2
90.76638	0.8
93.03452	3.5
95.01385	1.3
96.95980	1.0
101.02416	1.5
107.01452	0.9
109.02952	1.6
119.05053	2.4
120.11531	0.9
121.02954	18.1
122.03748	13.5
123.04488	1.5
125.02400	1.9
132.02039	1.0
133.02933	2.0
135.02997	7.0
135.04492	3.1
136.01665	1.5
137.02396	1.4
145.02943	3.2
149.02432	54.3
150.03223	88.6
151.03848	2.8
156.00644	1.0
160.04016	2.9
161.02393	2.6
161.04338	2.4
163.04021	3.1
164.04779	14.3
165.05565	100.0
166.06349	39.3
167.07036	3.6
169.01422	2.3
174.01674	4.0
175.03955	4.0
177.05589	1.1
180.04280	7.4
181.08698	25.5
186.56039	1.0
195.06615	66.0
196.06929	1.9
267.06586	1.8
269.08224	1.9
270.08588	1.5
283.05884	1.4
285.07635	2.4
298.08356	1.9
299.09174	2.1
313.10773	3.0
314.11575	7.7
329.10425	2.2
329.13895	33.8
330.14322	1.0
343.11847	39.9
344.12137	1.7
377.15906	2.4
391.13733	2.8
411.11536	1.0
510.19382	1.4
525.21216	34.8
526.21686	3.2
564.19208	1.0
573.22803	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	572.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98830	100.0
62.68243	0.3
62.74560	0.3
71.29359	0.7
73.58118	0.3
91.30594	0.4
96.38383	0.4
119.61726	0.3
121.02943	0.4
146.03780	0.8
149.02496	0.7
150.03226	1.3
151.03590	0.4
152.00787	0.3
164.04825	0.9
165.05548	1.5
176.94574	0.6
179.07127	2.1
195.06575	0.8
222.23068	0.4
246.32112	0.4
313.13025	0.4
344.12204	0.7
509.20422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
61.98828	100.0
63.99242	0.6
66.17461	0.4
71.01397	0.4
71.05008	2.0
71.53593	0.5
78.95913	1.2
96.96932	0.5
102.46796	0.5
115.92042	0.7
181.27295	0.4
371.29431	0.6
396.28793	0.4
443.35226	2.3
457.33115	2.8
468.27618	0.5
487.34085	1.9
509.34851	0.7
542.31097	1.6
559.94458	0.5
572.31940	62.7
573.32501	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	572.3201
Annotation	Canescensterone
Peak:m/z	Relative Intensity
52.13520	0.4
59.30170	0.4
61.98829	100.0
70.62345	0.4
71.05033	0.5
125.09723	1.4
154.68581	0.4
187.09808	0.5
309.85425	0.4
351.86661	0.5
469.33282	2.6
487.34219	5.9
572.31989	73.2
573.32355	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	571.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	10.5
63.31021	0.5
71.53777	1.0
78.95914	2.9
96.97002	0.9
98.23417	0.6
99.92578	13.3
100.93349	5.6
115.92076	100.0
116.92085	3.0
116.92860	4.6
117.91874	0.8
117.92591	0.7
132.92351	0.8
151.11708	0.5
152.99599	1.5
241.01189	0.7
255.23244	1.0
391.40057	0.7
471.34875	2.1
473.35535	0.8
571.27313	73.0
572.27502	7.5
585.25085	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	571.273
Annotation	Artoindonesianin U
Peak:m/z	Relative Intensity
55.21681	0.5
57.33250	0.5
61.56714	0.5
61.98834	6.5
63.95337	0.6
68.62869	0.4
69.29472	0.6
70.29005	0.9
70.29386	1.6
70.33547	0.4
78.95925	1.0
96.96974	1.0
98.20000	0.6
99.92582	14.4
100.93374	6.8
111.15880	0.5
115.92077	100.0
116.92083	2.3
116.92863	7.8
131.98729	0.5
132.92300	0.7
383.86340	0.5
471.34952	1.9
520.75067	0.6
553.26123	0.6
571.27325	73.5
572.27618	8.3
579.14423	0.5
585.25293	8.5
586.25317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2886
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.55350	0.6
58.32131	0.8
59.01372	1.0
70.28107	1.0
70.28453	2.8
71.36929	0.8
78.95904	56.1
88.11981	0.7
89.35463	0.7
96.96964	13.3
100.27302	0.7
150.97978	0.8
152.99585	50.3
223.00142	2.2
241.01175	31.3
255.23289	72.4
256.23639	3.1
267.64825	0.8
273.84070	0.8
315.04843	9.5
347.62170	0.7
391.22589	5.3
571.28876	100.0
572.29279	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	571.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02116	1.2
59.01379	1.6
61.98840	7.1
64.50484	1.2
69.39516	1.9
69.39922	7.6
71.01381	1.6
71.05016	4.6
93.03460	4.1
95.05009	1.4
97.02947	2.2
101.02442	1.4
121.02983	4.9
122.03738	14.3
123.04468	2.2
125.02433	5.1
133.02899	2.2
135.04529	4.7
136.01578	1.8
137.02502	1.6
139.04005	20.0
149.01289	1.6
149.02443	24.9
150.03226	97.9
151.03889	5.4
160.01663	2.2
161.02452	3.0
164.04820	5.1
165.05563	100.0
166.05951	1.7
167.07141	1.6
169.01427	6.2
170.01755	1.9
179.03586	1.9
180.04274	8.1
180.07974	2.6
181.04991	1.3
183.01582	1.3
183.02994	6.7
195.06619	50.3
208.07224	1.6
212.04787	3.7
228.04163	2.8
238.06300	1.3
256.03763	5.4
267.06470	1.8
269.08154	2.4
271.09717	3.3
281.08356	1.5
283.09686	3.4
285.07785	1.9
287.09372	2.2
297.07571	3.8
298.08170	1.3
299.09344	1.8
310.08572	1.6
311.09195	6.9
312.10034	2.6
314.07855	1.9
315.08783	6.2
315.11737	1.3
315.25992	1.2
316.09610	1.8
326.11584	2.8
327.08679	9.6
327.12344	4.7
329.10220	1.8
329.13760	2.3
330.11053	14.7
331.11676	2.5
342.10980	2.7
343.11575	1.4
345.13400	70.6
346.13672	2.4
357.09348	2.0
357.13449	22.8
375.14340	5.6
475.28955	1.3
493.18741	12.0
523.19708	51.9
524.19702	2.9
571.12354	2.4
571.21259	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	571.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31095	0.5
57.03637	0.4
59.01372	0.8
61.98833	4.7
78.95911	1.2
96.96971	1.5
98.20669	1.3
99.00874	0.5
99.92583	39.8
100.92606	1.3
100.93364	6.2
103.03996	0.6
108.50041	0.5
111.19312	0.5
115.92076	67.0
116.92106	1.7
116.92864	4.9
123.54113	0.5
132.92386	0.5
139.68355	0.4
221.19182	0.7
229.46298	0.7
230.36368	0.4
234.09256	0.5
277.21759	1.1
283.19092	0.9
287.22342	1.4
326.78137	0.5
463.48727	0.4
471.34781	1.6
544.79913	0.5
553.26202	3.2
556.24561	0.8
571.27319	100.0
572.27606	11.2
585.25305	8.8
586.25635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98465	2.3
51.11961	2.3
51.12206	2.6
51.79349	3.2
54.33578	2.3
56.10491	2.2
58.33432	2.4
59.01367	4.3
60.54207	2.2
70.37762	4.8
71.01399	3.2
73.02973	3.5
73.28939	2.4
75.00867	24.8
75.24124	2.5
87.00872	3.4
88.98810	2.3
89.02448	6.7
96.96000	3.3
117.01920	4.7
119.05030	33.4
121.06300	2.4
122.73754	2.6
125.02452	4.3
135.02997	100.0
163.04002	61.8
206.07817	2.5
281.06635	16.0
289.07120	2.4
378.73831	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	571.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.8
61.98811	2.5
63.02592	0.8
71.01367	1.5
71.52599	1.5
86.50288	0.7
89.02462	0.9
93.03451	4.4
96.95978	0.8
101.02458	0.8
105.91961	0.7
108.02176	0.9
109.02972	0.7
121.02966	4.5
122.03745	14.1
123.00916	0.8
123.04553	1.4
125.02472	1.8
133.02940	2.4
134.03740	0.8
135.04549	1.3
136.01611	1.3
137.02457	2.3
145.02946	1.5
147.04510	0.8
149.02438	18.8
150.03220	92.0
151.03659	2.5
160.01665	1.2
161.02443	3.3
164.04834	4.0
165.05565	100.0
166.05867	2.4
167.07079	1.1
169.01445	1.9
179.03517	1.4
180.04300	5.6
180.07979	0.9
181.05075	1.0
193.05089	0.8
195.06616	66.7
196.06903	1.2
201.09323	1.0
212.04723	3.3
227.03557	1.2
239.07103	1.0
256.03720	4.0
256.54150	0.8
257.08310	1.1
269.08057	0.9
271.09833	2.2
287.09418	1.0
297.07501	3.5
299.09375	1.4
310.08679	1.0
311.09167	4.8
312.10107	1.9
315.08737	3.6
325.10654	1.0
326.11633	2.7
327.08737	6.5
327.12167	1.2
330.11023	9.7
331.11649	1.2
342.11044	1.8
345.13406	44.7
346.13748	2.9
357.13403	16.6
358.13681	0.7
375.14465	7.6
474.13644	1.7
493.18579	0.9
523.19830	3.2
553.11713	1.1
571.21057	6.5
572.22046	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	570.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51926	0.2
59.01378	1.8
61.98831	100.0
63.99258	0.4
66.22038	0.2
69.49540	1.5
71.01368	0.4
85.02945	0.3
92.62891	0.2
96.96049	0.3
97.19499	0.2
101.02444	0.2
108.28887	0.2
117.03480	0.2
123.00890	0.2
126.14674	0.2
133.02989	0.3
145.02972	0.4
150.07368	0.2
151.04062	0.2
152.38954	0.2
161.02457	1.0
161.04593	0.4
169.01424	0.4
187.12964	0.2
194.41234	0.2
212.00201	0.2
227.75354	0.2
507.22452	1.1
535.55591	0.3
570.26892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
61.98823	3.0
66.75457	0.3
67.01889	0.4
69.03459	1.2
69.21429	3.1
71.01393	0.9
81.03447	0.9
82.44081	0.4
84.14368	0.3
84.49080	0.3
93.03473	0.7
94.27271	0.3
95.01382	0.6
97.02974	0.9
101.02414	0.4
107.01390	12.8
109.02952	9.5
111.00862	0.4
112.70316	0.3
114.36143	0.3
121.02975	2.5
123.00887	0.8
123.04547	0.7
124.01690	0.6
125.02448	56.0
126.02814	1.3
135.04543	0.5
137.02478	1.1
143.02274	0.3
145.02946	1.0
151.00378	0.5
151.03999	0.8
153.01941	13.6
161.02408	0.5
163.04070	0.4
165.10707	0.4
167.03525	1.1
169.01418	100.0
170.01756	1.3
179.03513	0.5
183.14043	0.5
195.02962	0.7
272.80859	0.4
272.96088	0.3
273.07983	0.4
273.82257	0.4
297.05984	0.5
373.25906	3.1
389.18958	0.4
401.08563	1.1
417.08157	1.1
419.09760	1.3
423.08902	0.4
435.08832	0.7
446.38434	0.4
495.60434	0.4
527.21033	0.4
529.00146	0.4
535.76740	0.4
570.26648	0.7
571.10895	6.4
571.25439	1.0
572.10980	0.7
572.20911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1454
Annotation	4'-Methoxy-3,3',5-trihydroxystilbene 3'-O-beta-D-(6''-O-galloyl)-glucopyranoside
Peak:m/z	Relative Intensity
57.03440	2.2
59.01382	11.5
60.90148	0.9
61.98830	58.8
64.40216	0.9
65.00314	1.3
66.07773	0.9
67.01887	1.8
68.99802	2.6
69.03454	2.6
71.01379	10.0
71.52771	1.3
73.02967	1.7
74.71435	1.1
75.00873	1.0
79.01893	2.3
81.03461	2.8
83.01402	3.5
85.02948	3.1
87.00891	2.0
88.98830	1.3
93.03455	4.9
95.01383	2.8
95.05061	1.2
96.95997	3.1
97.02937	2.1
99.00886	0.9
101.02438	4.0
107.01393	15.8
107.05033	1.0
108.02191	6.6
109.02953	4.9
111.00877	2.2
113.02448	2.5
117.03474	1.9
117.38535	1.0
119.05023	5.9
121.02955	10.6
123.00879	15.5
123.04520	13.7
124.01646	1.5
125.02449	100.0
126.02766	2.6
127.00385	1.0
133.03001	1.6
135.00856	4.3
136.98753	1.7
137.02444	3.4
139.00392	7.9
140.01157	4.9
141.01889	1.5
145.02936	8.0
147.04498	1.4
149.02470	1.0
151.00368	12.6
151.03998	3.2
153.01941	4.5
159.04541	1.6
161.02440	2.6
163.04025	1.9
166.99812	2.0
167.03508	10.0
168.00656	6.6
168.03947	0.9
169.01421	95.3
170.01759	3.5
175.04005	1.5
177.01941	3.6
179.03468	4.2
182.99393	1.4
189.01987	3.1
190.02774	1.3
191.03435	1.2
196.00919	0.9
203.03627	1.3
211.02490	2.9
213.05551	2.1
216.00682	1.0
217.01468	2.8
219.02834	1.1
225.05537	4.9
227.03485	1.0
229.05128	1.3
229.08629	2.3
231.02922	1.1
231.06627	1.2
241.03461	2.0
255.06679	0.9
257.08212	5.4
273.07590	6.8
281.04446	1.3
283.02951	1.1
283.06223	3.5
311.05524	1.0
313.05643	49.1
314.05933	1.8
341.06635	10.3
349.20215	1.0
365.10574	1.4
407.08505	1.1
409.09299	22.4
409.14389	2.0
415.13953	1.5
435.10812	8.1
436.10132	11.0
463.08673	1.7
473.33017	1.9
533.24060	2.2
570.26489	4.2
571.14587	83.7
571.26563	8.2
572.14722	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	570.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05611	0.3
59.01381	4.2
61.98829	100.0
69.55672	0.7
69.56073	1.8
71.01365	0.8
89.02480	0.3
92.22345	0.5
93.03473	0.6
119.08636	0.4
123.00891	0.9
125.02448	1.2
133.02872	0.4
137.02475	1.1
145.02933	0.9
150.03123	0.4
155.10768	0.4
161.02487	1.1
169.01436	1.9
216.82758	0.4
263.89224	0.4
285.04233	0.6
289.66089	0.4
433.07849	0.5
532.28802	0.8
570.26349	4.4
571.26715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3045
Annotation	14-O-Anisoylneoline
Peak:m/z	Relative Intensity
59.01387	0.5
61.98830	100.0
63.99251	0.6
64.13767	0.5
71.53297	0.6
83.05017	1.3
83.05505	0.4
86.11192	0.4
97.72059	0.4
152.02991	0.4
167.08490	0.4
178.50392	0.4
234.02866	0.3
375.30585	0.5
467.31686	1.6
485.32809	3.1
488.34467	0.7
570.30420	62.4
571.30408	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	570.3044
Annotation	14-O-Anisoylneoline
Peak:m/z	Relative Intensity
61.98829	100.0
69.50346	3.9
71.05011	1.3
78.95914	0.9
90.02968	0.4
96.96958	0.9
116.92845	0.9
138.99905	0.5
244.70180	0.5
263.83771	0.6
308.18958	0.5
310.59363	0.5
423.32639	1.2
425.30429	0.6
437.30231	0.7
465.30276	0.5
467.31699	4.8
485.32635	8.1
488.34622	0.7
502.17377	0.6
533.60583	0.6
570.30414	79.6
571.30957	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	570.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02187	0.2
59.01378	0.4
61.98829	100.0
71.25753	0.3
125.02393	0.3
137.14253	0.3
145.02988	0.6
160.27338	0.3
163.04033	0.3
165.12949	0.4
169.01357	0.3
227.12915	0.4
272.79932	0.3
307.08209	0.5
570.27472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98824	1.9
64.45918	0.3
69.59011	2.1
71.01382	0.4
73.02975	0.4
83.96014	0.3
85.02957	1.1
85.26862	0.3
93.03455	0.8
101.02458	0.3
107.01406	0.9
108.02171	0.4
109.02947	0.9
113.02462	0.9
120.02139	0.3
121.02960	1.2
122.03772	1.1
123.00840	1.5
123.04493	0.9
125.02441	7.1
131.03516	0.3
133.03017	0.6
134.03745	0.5
136.01654	3.2
137.02428	0.5
139.00395	0.4
145.02945	0.9
146.03720	0.3
148.01680	0.8
149.02419	2.8
149.06085	1.4
150.02017	0.6
150.03218	10.9
151.00415	1.5
151.03995	6.8
152.04344	0.5
153.05554	1.3
161.02385	1.6
162.00961	0.3
162.02840	0.5
163.00359	0.4
163.03984	2.6
164.01199	0.5
164.04802	1.1
165.01971	0.5
165.05556	8.2
165.06892	0.5
166.02609	0.4
167.03381	0.4
169.01414	7.6
172.06444	0.3
177.01915	1.5
178.02724	2.5
179.03462	1.1
179.07111	0.6
180.04323	0.9
181.05058	1.8
185.06091	0.4
187.04080	0.7
192.04262	0.9
193.05052	6.4
195.06635	5.9
196.06993	0.5
211.02205	0.4
211.04207	0.5
211.06111	1.4
213.05542	0.3
225.04027	0.5
227.03432	1.3
229.05048	2.0
254.05840	0.5
255.02893	2.1
256.03845	0.6
257.04507	1.1
269.08234	0.8
270.08936	0.6
279.43341	0.3
283.04559	1.5
284.03400	2.4
285.04025	11.7
286.04156	0.5
299.09195	2.0
329.10358	2.6
341.10339	2.3
343.11887	2.2
347.11401	1.5
359.11301	0.9
373.12823	2.0
389.12521	1.7
417.08179	1.4
455.31625	0.4
473.32739	0.6
491.33859	1.2
506.17227	0.7
509.34784	4.0
510.34900	0.6
521.18427	0.6
525.19733	0.8
563.86353	0.4
569.09332	11.2
569.20007	1.0
569.36829	2.3
570.09393	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	570.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08688	2.1
53.09256	2.1
59.01362	7.7
61.98817	9.7
63.34045	2.0
66.66314	2.0
69.17604	23.2
71.01376	5.4
78.74231	2.0
85.12714	2.5
88.31437	2.0
90.46561	2.0
93.03417	2.3
98.19876	4.7
105.76537	2.1
107.01374	4.1
113.02424	2.8
114.67996	2.3
117.03475	2.3
121.02990	4.0
122.03738	4.5
123.00855	15.5
124.32914	2.3
125.02454	25.6
134.03770	13.7
135.04503	2.9
145.02927	2.9
146.03716	7.9
149.02432	7.4
149.06006	3.7
150.03226	12.4
151.00369	5.7
151.03981	3.8
160.01602	4.0
161.02364	3.5
161.06097	3.3
164.04730	7.1
165.05540	17.5
168.00600	4.2
169.01405	29.1
170.01698	2.3
171.87825	2.3
174.01692	2.7
175.03983	8.4
176.04720	7.9
178.02733	2.8
179.03432	5.9
179.07140	10.8
191.07152	7.7
193.05086	13.3
195.06624	10.8
207.06561	2.3
211.02475	4.1
235.06134	11.3
265.07129	2.4
295.08160	4.7
323.07574	3.5
343.11746	7.0
399.43039	2.6
468.56949	2.5
507.11386	100.0
508.11697	6.4
523.19385	5.7
569.31848	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	569.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03440	1.0
58.00574	0.7
59.01377	12.8
61.98830	28.6
64.24915	0.5
67.01865	0.9
71.01386	6.7
71.53461	0.6
72.99310	1.2
73.02940	1.8
79.01886	1.5
83.01383	1.8
85.02954	2.1
87.00862	0.8
87.04504	1.5
89.02451	4.6
93.03458	0.6
95.01385	2.4
96.96006	0.6
97.02941	0.7
101.02441	4.3
106.94125	0.6
107.01389	6.9
111.00876	2.3
111.08153	0.5
113.02461	3.0
117.03477	2.5
119.03523	1.8
119.05041	1.4
119.73972	0.5
123.00888	12.9
124.01673	1.0
125.02443	23.1
127.00381	0.8
134.03761	0.6
135.04503	1.0
136.98802	1.4
137.02417	0.7
139.00368	6.7
140.01155	3.0
141.01965	1.5
145.02946	9.1
149.02362	0.6
151.00360	10.2
153.01892	1.1
161.02408	1.0
161.04536	0.8
163.03999	1.3
164.04794	3.9
165.05435	0.7
165.12831	7.2
168.00626	3.2
169.01424	33.6
179.03506	0.8
179.05624	1.5
179.07121	2.8
181.05095	1.2
183.13866	6.3
197.15453	2.9
209.11771	0.9
225.14862	0.8
227.12894	2.7
253.03490	0.7
255.03261	0.6
255.06587	1.6
285.03949	1.2
313.05762	3.7
359.13391	1.2
525.29840	0.6
533.23737	6.0
534.24365	0.9
569.25983	100.0
570.26312	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	569.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03444	0.7
59.01378	10.6
60.01696	0.5
61.98828	17.8
65.00315	0.5
67.01865	0.7
68.99791	0.6
69.03452	1.0
69.85434	2.0
71.01379	4.7
72.99298	0.8
73.02935	1.3
75.00879	0.7
75.62130	0.3
79.01885	1.3
79.95731	0.4
83.01389	1.8
85.02961	2.6
87.00871	0.7
87.04509	1.2
88.98785	0.4
89.02414	1.8
93.03429	0.5
95.01392	2.4
96.96007	0.4
97.02924	1.0
98.20601	0.5
99.00851	0.6
101.02459	3.6
106.75119	0.4
107.01389	8.2
109.02946	0.8
110.00034	0.5
111.00893	2.7
113.02435	1.9
117.03452	2.4
119.03461	0.4
119.05028	1.4
121.02972	0.7
123.00884	15.5
124.01633	1.5
125.02450	30.3
126.02737	0.4
127.00343	0.9
132.78404	0.4
133.02979	0.4
135.04553	0.5
136.98795	1.5
137.02448	0.9
139.00375	7.3
140.01172	4.3
141.01936	1.8
145.02953	8.8
151.00365	12.8
153.01903	1.0
161.02440	1.4
161.04539	0.5
163.04025	2.1
164.04782	0.5
165.12863	0.5
166.02679	0.6
167.03432	0.5
168.00645	4.3
169.01419	39.9
170.01701	0.7
171.10210	0.4
179.03500	1.5
181.05040	1.1
183.13893	0.7
205.05029	0.4
213.05768	0.4
227.03516	0.5
227.13130	0.4
250.42546	0.3
253.03555	0.7
255.06581	1.9
271.04547	0.8
285.03964	2.2
286.04343	0.5
313.05603	5.0
491.33664	0.5
508.33786	0.5
509.34280	1.1
531.28381	0.8
533.23914	6.4
533.31232	0.5
534.24347	0.5
569.12079	3.3
569.26013	100.0
570.26422	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	569.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.1
59.09784	0.3
61.98829	3.0
65.00311	0.4
66.09467	0.4
67.01886	0.8
71.01386	3.3
72.99306	0.8
73.02936	0.9
79.01886	0.8
82.93040	0.4
83.01387	1.3
85.02954	1.2
87.00884	0.6
89.02438	1.1
92.01338	0.4
95.01389	2.4
96.95998	2.8
97.02979	1.0
99.00904	0.6
101.02441	2.9
107.01395	4.1
109.02938	0.7
110.03191	0.3
111.00889	2.2
113.02452	1.2
117.03446	0.6
119.05029	0.6
123.00883	14.6
123.04504	1.0
124.01672	1.2
125.02443	19.7
127.00414	0.5
135.04475	0.6
136.98793	1.2
137.02438	0.5
139.00366	5.1
140.01176	3.4
141.01910	1.7
145.02951	2.4
149.02434	0.5
150.03221	0.9
151.00363	10.9
151.03993	2.4
153.01952	1.9
161.02432	1.3
161.04453	0.5
163.04008	0.9
165.05528	0.7
168.00664	3.3
169.01419	25.5
179.03476	0.6
181.05025	1.6
187.07642	0.4
205.05090	0.5
211.02507	2.9
225.74213	0.4
229.05013	0.4
244.06953	0.5
253.03401	0.6
255.02632	0.6
271.02127	0.6
271.04648	2.9
272.02838	1.0
273.03058	0.7
284.13934	0.4
285.03845	1.9
300.02475	0.5
301.03159	0.9
302.03336	0.7
303.04361	0.6
313.05750	1.7
363.23978	0.6
509.35178	0.5
521.18201	0.5
533.23969	1.1
569.11548	2.7
569.26001	100.0
570.26392	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	569.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03450	1.3
59.01379	4.8
61.98823	1.2
65.00300	0.3
67.01888	0.9
68.99837	0.3
69.03450	0.6
69.43442	1.7
69.43858	0.6
71.01377	3.6
72.99293	0.8
73.02950	0.9
79.01891	1.5
83.01375	1.1
85.02952	2.0
87.00893	0.5
89.02427	0.7
91.01896	0.3
95.01382	2.4
97.02952	0.6
99.00855	0.3
101.02436	2.7
107.01384	5.9
109.02950	0.8
110.00130	0.4
111.00876	2.5
113.02480	1.4
117.03456	0.6
119.03498	0.3
119.05022	0.5
121.02957	0.7
123.00885	16.5
123.04526	0.4
124.01675	2.2
125.02446	26.2
126.60190	0.3
127.00378	0.8
135.04515	0.4
136.98820	1.5
137.02437	0.8
139.00375	6.0
139.03972	0.6
140.01157	3.3
141.01964	1.7
145.02951	1.9
149.02463	0.5
150.03232	0.3
151.00372	12.2
151.03946	0.7
152.01103	0.9
153.01917	1.0
163.03972	0.7
165.01964	0.3
166.02663	0.3
168.00644	3.4
169.01428	27.5
170.01747	0.4
175.04019	0.6
177.01871	0.3
178.99873	0.4
179.03502	0.8
189.05431	0.3
191.03752	0.3
191.07039	0.3
193.04994	0.6
209.04640	0.3
211.02458	3.1
217.05025	0.6
231.06548	0.3
251.37317	0.3
253.03468	0.7
259.06061	0.7
271.04562	3.0
275.05771	0.3
285.03989	2.0
303.05075	0.5
313.05670	1.9
336.06445	0.3
353.76755	0.3
403.12915	0.3
455.04932	0.3
527.11243	0.3
533.23621	0.7
541.13446	1.1
551.11975	0.5
569.13690	3.1
569.26013	100.0
570.13464	0.4
570.26331	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	569.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
57.03464	2.3
58.00573	1.3
58.44757	1.1
59.01105	1.7
59.01379	22.4
59.64603	1.2
69.30141	5.7
69.30567	5.0
71.01382	17.2
72.99324	1.7
73.02962	6.6
75.00844	1.7
83.01405	5.5
85.02945	10.8
87.00850	1.7
89.02434	7.7
93.03462	2.4
95.01378	1.5
95.05045	1.2
99.00869	3.7
101.02437	16.3
113.02454	7.9
116.92853	5.4
119.03561	2.1
119.05038	16.0
121.02962	4.4
121.51905	1.1
122.03738	11.3
123.04527	1.7
125.02463	1.5
129.01874	1.3
133.02936	3.9
134.03708	3.9
135.04504	2.3
137.02429	1.4
145.02928	5.4
147.04498	2.1
149.02457	28.2
149.06055	4.6
150.03223	77.4
151.03780	2.0
161.04501	2.6
162.03194	1.6
163.03996	8.8
164.04832	8.4
165.05562	69.6
166.05820	2.0
177.05516	2.2
179.05721	1.2
180.04266	5.1
181.04999	6.2
182.05849	1.4
195.04836	2.3
195.06624	37.5
196.07280	5.4
199.00667	3.3
211.09718	8.6
215.00136	2.5
245.83447	1.2
343.10416	1.8
344.12573	4.6
345.52335	1.3
359.14972	10.1
373.15018	27.4
374.15173	1.9
521.20227	100.0
522.20575	5.2
569.09521	14.3
569.22339	13.4
587.17639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03437	1.1
59.01379	7.8
61.14112	0.5
61.98827	1.2
64.96454	0.6
69.19827	5.5
71.01376	8.2
73.02955	2.2
83.01389	2.2
85.02943	4.4
87.00876	1.1
89.02447	3.0
93.03461	2.9
95.01405	0.8
96.96019	0.7
99.00844	0.7
101.02456	6.3
108.02188	0.6
111.11321	0.7
113.02424	3.0
119.03493	1.0
119.05031	0.7
121.02958	4.5
122.03733	13.6
125.02454	0.9
133.02954	2.5
134.03737	1.6
135.04555	0.8
136.01671	0.7
137.02457	0.8
149.02441	22.9
149.03638	1.3
149.06071	1.4
150.03221	98.1
151.03671	1.3
154.81195	0.6
161.02443	0.7
161.04538	0.6
163.04054	1.1
164.04805	4.7
165.05562	100.0
166.05910	2.4
169.01465	0.8
177.04092	0.9
177.05647	0.6
180.04286	6.6
181.05045	2.2
193.08614	0.8
195.06621	58.3
196.07253	3.0
197.08083	0.9
211.09724	4.3
226.02951	0.7
344.12741	1.1
346.70316	0.6
359.14960	5.4
373.15021	23.8
374.15375	0.9
479.10794	1.3
521.20251	47.1
522.20679	3.9
569.23004	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	569.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02543	1.7
56.38921	1.5
57.03433	6.2
57.03708	1.5
59.01379	25.7
60.04718	1.7
61.98829	8.7
62.88114	1.4
65.91796	1.5
69.03451	3.0
69.96667	3.4
69.97060	4.4
71.01380	25.2
72.99296	6.9
73.02932	4.2
75.00870	27.7
77.79416	1.5
83.01380	2.6
85.02953	16.3
87.00874	14.9
89.02441	12.3
96.96006	2.6
97.02932	3.4
98.20556	2.5
99.00874	4.5
101.02428	5.8
103.00354	3.4
103.63573	1.8
105.01934	45.8
111.00854	8.5
113.02423	3.6
115.04003	2.8
116.92871	2.9
119.03502	2.4
119.05033	4.0
121.02956	4.0
122.03728	4.6
123.04495	3.7
125.02373	2.5
125.18609	1.8
129.01945	26.8
135.04491	5.9
136.05249	7.0
137.02426	4.9
139.11246	1.7
141.01865	5.1
147.02977	11.7
149.02422	12.5
149.06039	2.8
150.02020	2.8
150.03221	55.0
151.04001	13.1
159.02904	2.7
161.02461	2.5
163.03986	3.5
164.04761	5.3
165.01906	14.6
165.05550	42.8
166.06221	3.8
169.01398	5.5
177.04042	76.7
179.03508	3.7
180.04329	12.8
181.04958	6.9
195.05106	4.5
195.06616	50.3
225.07739	8.3
311.09177	5.7
343.11636	24.8
372.10617	4.0
391.13943	36.0
392.13785	2.0
503.15469	6.1
521.20825	10.4
551.17615	6.2
569.18677	100.0
570.19012	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	569.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99694	0.8
59.01365	2.5
61.98846	1.9
63.02384	1.1
67.31505	0.7
67.35503	0.7
69.25994	3.9
69.26418	3.4
71.01363	0.9
72.58540	0.7
85.02937	0.9
93.03452	6.2
95.01388	0.9
105.38407	0.8
107.01381	2.6
108.02131	1.8
109.02953	5.8
117.03453	0.8
119.28420	0.8
121.02983	4.7
122.03729	12.7
123.00872	1.5
123.04533	1.9
125.02458	1.9
131.87943	0.8
133.02971	2.5
134.03783	1.4
135.00861	1.3
135.04462	1.0
136.01663	3.9
137.02455	1.8
143.05016	1.0
145.02953	2.7
146.03731	1.6
147.04523	0.8
149.02425	17.6
149.06064	1.4
150.03220	83.3
151.00354	2.2
151.04005	5.0
152.01077	1.0
153.05666	0.8
153.23161	0.7
157.06606	1.2
159.04492	2.2
161.02440	2.5
161.06076	0.9
163.00404	1.7
163.03961	3.5
164.01097	1.4
164.04836	4.5
165.05562	89.4
166.02728	2.5
166.05878	2.4
167.03508	0.8
169.01338	2.1
171.04442	1.1
178.02644	1.5
179.03453	1.3
179.07060	3.8
180.04265	4.9
181.03616	1.5
181.05064	12.4
185.06046	3.3
187.04030	4.8
193.05074	5.0
195.06613	60.8
196.06908	1.0
197.06120	1.6
199.03996	1.4
201.05542	1.2
211.03918	2.8
211.06100	2.5
213.05521	1.9
221.08136	1.3
227.03505	3.8
228.03827	1.2
229.05032	15.0
239.03494	1.5
240.04268	0.9
241.05157	1.9
254.05852	1.8
255.03017	2.3
256.03577	4.0
257.04526	5.8
267.03021	0.9
269.08203	3.3
270.08807	0.9
283.04611	7.0
284.03079	1.8
285.04022	100.0
286.04172	6.2
298.08566	1.0
299.09296	1.6
301.00058	0.9
313.10767	2.1
325.10922	1.1
343.11856	15.2
347.25916	0.8
373.12860	6.2
461.14957	0.7
473.15796	0.9
521.18268	9.8
543.00012	1.0
569.11584	9.3
569.20459	5.3
589.89496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.2
61.98831	37.3
65.00317	3.0
69.29890	20.9
71.01380	10.7
72.99316	2.9
73.02947	3.3
73.78474	2.2
85.02977	2.8
87.00842	2.5
93.03471	3.5
101.02451	2.7
110.00123	3.0
111.00903	16.8
113.02466	3.4
119.04996	3.7
120.03967	2.7
121.02895	2.7
123.00941	3.6
124.01657	9.6
125.02440	17.1
127.00364	4.5
133.02969	25.1
135.04539	13.6
136.98819	12.8
137.02458	3.1
139.00343	16.1
140.01154	28.6
145.02965	5.6
150.03189	7.4
151.00319	5.3
151.03940	3.1
152.01173	2.5
161.02437	57.9
165.05569	8.5
168.00621	36.5
169.01428	28.2
175.03995	3.6
177.04013	3.9
177.05521	3.7
179.03455	10.4
187.04033	2.9
195.06589	5.6
215.03488	9.9
221.04483	3.0
229.05011	3.6
230.05775	9.3
255.03024	3.5
261.14999	3.3
284.02902	3.9
285.04086	23.6
305.13965	24.5
323.07709	20.4
373.12863	6.2
417.08554	2.7
452.47424	2.5
483.18848	21.6
512.90906	2.4
525.19739	100.0
526.19983	6.2
569.08575	5.4
569.16235	21.6
569.25806	21.4
570.16602	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	569.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25892	1.9
59.01374	19.0
60.52465	1.8
61.98829	18.8
63.95890	2.2
65.00319	12.2
67.69703	1.8
71.01379	6.8
71.53703	3.5
76.51161	1.9
78.95913	5.5
79.95760	4.8
83.01359	9.4
87.00851	2.0
89.02447	5.0
93.03448	5.0
95.01434	2.0
96.96010	100.0
96.96992	6.3
100.43159	2.1
101.02431	2.3
107.01379	21.9
108.02198	2.8
109.02953	5.5
111.00888	9.0
113.02473	3.4
121.02924	4.9
123.00894	7.4
123.04501	1.9
124.01669	3.7
125.02447	82.3
127.00331	3.5
134.03632	2.1
135.04520	46.5
136.98804	5.4
137.02454	5.2
139.00362	8.0
140.01157	10.1
145.02971	8.0
149.02399	3.4
150.03235	3.1
151.00363	81.6
153.01955	6.6
161.02451	11.3
163.04070	2.0
165.01859	3.3
165.05537	1.9
166.06332	3.7
168.00661	16.2
169.01407	47.8
175.00348	7.4
175.04008	3.8
177.01944	8.4
178.99814	2.6
187.04044	2.7
195.02971	3.6
195.06648	2.3
199.03996	3.8
213.05545	2.4
227.03433	5.0
229.05081	4.5
257.04459	4.0
275.05533	5.7
281.06656	5.0
283.04590	39.6
284.02988	3.6
285.04034	65.1
287.05606	49.6
303.05109	23.2
305.13919	7.8
407.24146	3.3
417.08218	3.2
447.09305	2.2
483.18735	5.8
509.34592	2.7
525.19775	47.5
526.20233	4.9
569.10315	30.6
569.26355	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	569.0937
Annotation	Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
59.01383	9.5
60.01721	0.9
61.98835	4.4
63.02403	1.0
65.00336	3.0
67.01913	0.8
69.35892	3.8
69.36315	2.3
69.92223	0.7
71.01390	3.5
72.99316	1.4
73.02982	0.9
77.07776	0.7
78.74773	0.9
79.01893	1.2
83.01418	2.1
85.02960	3.5
89.02459	1.0
93.03470	2.0
95.01360	0.9
96.96033	1.2
97.02964	1.6
98.19899	1.4
107.01392	16.2
109.02952	2.7
111.00884	2.5
113.02465	2.5
117.03471	1.9
119.05047	1.6
121.02951	1.7
123.00888	6.6
124.01680	2.0
125.02444	84.7
126.02785	2.0
133.02953	1.4
134.09174	0.7
135.00914	1.7
135.04506	12.5
136.98763	0.9
137.02446	2.4
139.00354	3.7
140.01137	3.2
141.01958	0.9
143.05092	0.9
145.02956	8.1
149.02498	1.5
151.00369	28.3
151.01588	1.5
151.04007	1.4
153.01953	1.3
159.04460	1.8
161.02370	3.4
163.00348	2.5
163.04012	1.7
165.01930	1.4
167.04977	0.7
168.00609	5.4
169.01419	94.2
170.01775	1.8
171.04663	0.8
175.00362	1.5
175.03970	1.0
177.01942	1.5
179.03496	2.1
181.05025	0.8
185.06036	2.0
187.03970	3.2
189.05528	0.9
195.02933	2.5
199.04041	0.9
211.04018	1.7
213.05550	1.9
223.02382	1.8
227.03426	5.6
229.05055	11.4
239.03508	1.5
241.05167	1.5
255.02948	7.2
256.03763	1.0
257.04544	7.1
271.06006	1.1
281.06705	2.0
283.04581	70.1
284.03125	9.1
285.04028	100.0
286.04376	4.1
287.05618	9.6
311.15546	0.9
411.32159	0.7
417.08423	4.4
509.34607	1.2
525.19781	4.9
533.23822	5.2
569.09198	65.3
569.23938	2.2
570.09454	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	569.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52071	1.4
57.03443	4.4
59.01379	19.8
61.98825	13.1
63.02410	2.1
65.00317	12.2
66.69040	1.3
67.01897	1.8
71.01389	7.6
72.99309	1.4
73.02950	3.2
78.95906	4.0
79.95731	3.2
83.01388	9.2
85.02963	3.1
89.02435	2.6
93.03455	4.4
94.27732	1.3
96.96010	100.0
96.96910	7.1
101.02446	3.8
103.12119	1.5
107.01394	24.4
108.02147	1.8
109.02963	4.2
111.00880	8.3
113.02464	3.9
117.03429	2.4
117.14066	1.3
119.05029	1.5
121.02955	3.3
123.00893	8.5
124.01649	5.4
125.02444	75.8
127.00358	2.4
135.04526	47.7
136.98817	3.2
137.02437	4.2
139.00372	6.5
140.01143	11.1
141.46719	1.4
145.02965	7.8
149.02441	4.0
150.03198	1.5
151.00363	80.2
151.03975	1.9
153.01906	7.6
161.02455	9.2
161.32951	1.5
165.01945	4.0
165.03380	1.5
166.06371	3.3
168.00670	15.7
169.01411	49.6
175.00334	5.7
175.03995	2.2
177.01909	9.1
178.99846	4.4
179.03482	2.0
181.01425	3.5
181.08727	2.9
187.03925	1.8
189.05701	3.2
193.01480	2.4
195.02946	1.7
199.03946	2.8
215.58537	1.4
217.05096	2.3
218.62094	1.5
227.03468	3.3
229.05064	6.5
241.05154	2.4
255.02905	3.6
257.04599	4.2
275.05594	5.2
281.06702	7.1
283.04584	37.5
284.03326	4.6
285.04028	62.1
286.04462	3.4
287.05612	48.5
288.05887	3.2
299.05554	1.9
303.05121	15.7
305.13892	6.7
407.24625	1.7
417.08408	3.2
423.09201	1.6
433.07693	2.1
471.12988	2.7
483.18951	3.5
525.19727	36.1
526.19653	2.9
568.24231	1.7
569.10443	32.0
569.26550	15.4
570.11017	2.2
570.26160	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	568.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.8
61.98831	2.8
69.91788	1.0
70.95705	1.0
70.96049	1.8
78.95904	23.1
85.38235	0.9
96.96925	1.4
98.20583	1.0
107.01447	1.0
110.59147	1.0
116.74825	1.0
151.00343	1.4
152.99573	6.0
165.97621	1.1
167.75656	1.0
168.04295	2.9
224.06932	7.7
242.07884	2.8
255.23238	7.9
269.24838	100.0
270.25134	3.2
369.09671	2.1
483.27353	2.1
486.45523	1.2
494.32523	65.6
495.32675	2.3
506.32681	1.5
524.33533	3.8
568.36444	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	569.0931
Annotation	Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
52.61245	0.1
58.88064	0.1
59.01378	0.3
63.02395	0.7
65.00317	0.3
71.01376	0.6
73.34511	0.1
83.01380	0.3
85.02932	0.3
91.01885	0.5
93.03457	2.1
107.00715	0.2
107.01394	2.3
108.02165	0.2
109.02948	1.0
112.56943	0.1
113.02429	0.4
117.03453	0.7
119.01356	0.3
121.02914	0.2
123.00876	0.8
125.02438	1.3
130.04271	0.3
131.05009	0.5
133.02957	0.2
135.00905	1.6
137.02425	0.3
139.00397	0.2
141.07117	0.2
143.05023	1.4
145.02919	0.4
145.06564	0.4
149.02405	0.3
150.03215	0.4
151.00342	1.5
153.01935	0.4
154.04262	0.2
155.04973	0.4
156.05818	0.3
157.06572	1.0
158.03668	0.2
159.04500	1.9
161.02437	0.4
161.06001	0.2
163.00362	2.3
164.01154	0.2
165.01932	0.5
165.05513	0.4
167.05095	0.7
168.05762	0.3
169.01476	1.4
169.02846	0.3
169.06587	0.9
171.04558	0.7
173.02429	0.2
173.05969	0.2
182.03708	0.3
183.04488	0.7
185.04483	0.3
185.06071	3.1
187.03989	4.6
189.05563	1.2
195.04474	0.9
195.06439	0.3
196.05258	0.3
197.06093	1.3
198.03203	0.3
199.04024	0.7
201.05598	0.9
211.03981	2.4
212.04640	0.4
213.05542	2.3
214.02771	0.3
215.03517	0.4
223.04089	0.2
227.03494	3.0
228.03888	0.2
229.05037	13.3
230.05362	0.5
239.03448	1.5
240.04247	0.8
241.05054	1.9
243.02917	0.6
255.02943	0.9
256.03793	1.0
257.04547	7.6
258.04944	0.2
267.02914	1.2
283.04575	7.9
284.03333	0.3
285.04016	100.0
286.04398	4.1
417.08286	0.5
442.65454	0.1
521.18115	0.9
525.19440	0.4
569.09283	1.8
589.87378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.0
60.01718	0.3
61.98830	100.0
63.99260	0.3
69.48272	1.7
71.01378	0.5
71.05023	0.4
73.02947	0.2
78.95937	0.8
85.02948	0.4
89.02466	0.4
96.96014	0.8
99.48816	0.2
101.02446	0.4
109.02937	0.4
109.06654	0.2
111.04523	0.3
111.63428	0.2
113.02448	0.4
123.00906	0.3
127.96349	0.2
135.04543	0.5
138.52740	0.3
140.01192	0.4
145.03000	0.5
152.99629	0.3
161.02475	1.1
161.04538	0.3
161.26729	0.2
162.59573	0.2
169.01427	0.2
169.08635	0.3
171.10353	0.4
195.06570	0.6
204.77986	0.2
285.04208	0.4
317.21274	0.4
457.63937	0.2
465.12952	0.2
505.20950	0.6
505.31671	2.2
508.34155	0.8
509.31445	0.4
544.35809	0.3
568.16046	0.3
568.25287	0.9
569.26569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82272	1.0
59.01371	4.3
61.98832	100.0
67.19382	0.9
69.34209	8.1
82.79207	1.0
108.02158	2.0
133.02948	3.1
152.01190	2.7
152.59984	1.0
153.01601	1.3
161.02451	4.8
209.58693	0.9
217.11989	1.0
243.80281	0.9
306.62433	0.9
360.26221	1.1
404.91879	1.0
413.54480	1.0
568.15332	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	568.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90570	0.7
59.01376	3.2
61.98830	100.0
66.91342	0.8
125.02434	0.9
129.18634	0.9
164.30528	0.7
176.96988	0.9
177.86327	0.6
199.96446	0.7
212.74088	0.7
223.28140	0.8
394.58011	0.7
568.15906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83898	0.4
59.01379	1.7
61.98831	100.0
65.50121	0.4
71.53327	0.4
77.34097	0.5
95.95290	0.4
96.96001	0.7
99.08296	0.4
101.19615	0.4
103.71227	0.5
150.02156	0.4
150.03511	0.5
152.05833	0.4
176.18387	0.5
234.62886	0.5
336.05765	0.5
348.18265	0.5
390.36945	0.5
505.35178	5.2
568.30396	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52925	0.3
54.60190	0.4
59.01377	8.1
61.98829	100.0
63.77905	0.3
69.27704	3.8
71.05034	1.6
78.95904	0.5
87.04562	0.4
93.75094	0.4
94.36163	0.4
95.16764	0.4
111.58290	0.4
125.02525	0.5
139.04065	0.6
145.02962	0.8
161.02486	0.5
169.01385	0.5
334.29410	0.4
505.31720	6.9
568.31934	0.6
569.29004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
57.03448	2.0
59.01379	100.0
61.98830	70.9
69.26785	12.0
69.27204	4.3
69.93630	1.5
71.01377	24.8
72.99331	1.9
73.02945	10.3
78.95914	2.4
83.01395	3.9
85.02950	10.2
89.02459	8.8
95.01376	2.1
96.95969	2.1
96.96997	1.6
99.00867	5.8
101.02449	17.9
113.02460	9.1
117.03444	1.7
119.03529	2.7
125.02464	3.2
132.02095	1.7
135.03032	1.9
135.04460	2.0
145.02975	8.3
151.03990	4.5
152.04358	2.6
160.01614	2.1
161.02431	5.1
161.04543	9.6
161.05713	1.7
162.02904	2.0
175.04054	1.7
179.03513	2.7
257.04517	2.7
258.08350	2.2
267.42322	1.7
270.90686	1.8
301.03537	4.0
342.37115	1.9
345.29941	5.3
489.32132	5.6
507.35327	80.9
508.04724	2.3
508.35388	5.9
531.21362	2.5
531.28552	8.1
536.92798	1.7
567.23627	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	568.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
61.98830	100.0
71.01415	4.1
75.00867	1.4
81.99442	1.0
87.00866	1.4
87.49533	1.0
88.98799	1.0
89.02464	1.5
99.92501	1.3
101.02405	1.6
110.35886	0.9
115.00335	1.6
116.92838	5.5
121.02996	2.0
121.65067	1.2
125.02472	1.3
133.02960	21.4
134.03267	2.7
135.04533	14.4
136.04851	1.5
137.02458	1.5
149.05957	1.1
161.02435	88.1
162.02808	7.3
162.11496	0.9
165.05560	1.0
166.06354	11.1
169.01367	1.2
175.02472	5.0
175.03885	1.1
177.03984	2.8
177.05573	2.2
179.03517	9.8
180.03816	1.1
181.08727	5.0
193.04938	1.4
198.45488	0.9
221.04477	1.9
239.61171	0.9
300.02808	1.3
314.66135	1.0
323.07687	7.1
327.03610	2.2
336.90332	1.1
343.63171	1.2
401.82074	1.0
505.17142	75.9
505.50046	1.0
506.17084	5.1
567.23444	1.7
568.24469	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	567.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
58.00590	0.6
59.01379	100.0
59.66760	0.4
60.01716	1.0
61.98832	14.7
63.60461	0.4
67.01857	0.5
69.03459	0.5
69.38825	0.7
69.39236	2.7
71.01394	2.5
71.05014	0.9
72.99306	0.6
73.02960	1.2
78.95853	0.5
79.73481	0.4
81.03477	0.6
83.01375	0.6
85.02968	1.4
87.00877	0.8
88.98820	0.7
89.02451	1.2
93.03473	1.3
95.01396	0.9
96.96006	1.0
97.06597	0.5
98.19942	1.0
101.02462	1.4
104.69708	0.5
107.01405	1.4
108.02155	4.5
109.02976	4.0
111.00899	0.7
113.02459	1.0
116.92881	1.3
117.03489	1.2
117.92825	0.5
119.03471	0.5
119.05026	0.9
121.02960	2.7
123.00879	3.1
123.04539	1.6
125.02442	4.0
131.03558	0.5
132.02200	1.4
133.02974	2.1
134.03751	1.6
135.04530	1.5
137.02466	3.0
139.00407	0.8
140.01184	0.6
145.02950	4.4
147.04581	0.6
148.01662	0.6
149.02466	1.9
149.04495	0.4
149.06056	0.8
150.03242	2.1
150.96579	0.5
151.00369	3.5
151.04050	1.1
152.01147	4.3
153.01953	2.5
159.04573	0.5
160.01622	4.9
160.02696	0.4
161.02449	5.7
161.04533	0.4
161.06116	0.8
162.03140	1.3
163.00391	0.9
163.04018	2.0
164.04773	1.0
165.05560	2.1
165.12909	0.5
166.02756	1.3
168.00598	1.1
169.01414	4.1
174.03198	0.5
175.00323	0.4
175.03989	7.5
176.04475	0.9
177.04158	0.5
177.05608	1.5
178.99933	0.9
179.03613	2.4
179.07181	0.9
180.04355	0.8
183.13924	0.9
191.03456	0.4
191.10945	0.4
192.04233	0.7
193.05061	2.5
194.05882	0.5
195.06682	2.1
199.07710	0.6
205.05116	1.0
207.06551	0.5
208.03770	1.2
209.08224	0.8
221.04503	0.7
226.02922	0.9
227.03560	1.2
227.12935	0.9
235.05927	0.7
240.16692	0.5
241.05203	0.5
243.02963	5.0
243.06708	0.6
254.02255	1.7
255.02959	6.9
255.05336	0.5
256.03534	0.5
259.06204	0.8
271.02448	23.0
272.03128	1.8
281.06693	1.3
283.02615	0.4
287.22144	0.9
299.02042	0.5
300.02716	28.5
301.03400	6.9
337.09433	1.6
343.04648	0.5
346.64694	0.5
357.12537	0.4
387.11014	1.4
471.31122	1.3
489.32428	3.1
504.91550	0.4
507.20856	0.7
507.33844	3.5
519.20331	1.1
531.15570	0.8
531.22632	2.5
567.11597	22.3
567.24713	20.3
567.34717	1.8
568.11731	2.2
568.24994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49409	0.5
57.03449	1.3
59.01377	4.7
60.99318	0.7
61.98829	17.1
64.49057	0.4
71.01385	3.1
71.53010	0.6
72.99315	0.8
75.00878	2.3
75.03221	0.5
82.95409	0.9
85.02988	1.4
87.00878	0.8
88.98808	5.3
89.02455	1.8
91.01841	0.6
96.96019	0.6
99.00896	0.7
101.02451	1.9
105.03446	1.0
109.02952	1.0
111.00860	0.6
113.02472	1.3
114.93435	0.7
115.00333	0.5
116.92889	0.9
117.03501	1.0
117.92856	0.5
119.04990	0.6
121.02936	0.8
125.02451	1.8
129.01950	1.4
132.02158	1.9
133.02954	31.6
134.03693	1.8
135.00905	0.5
135.03000	0.6
135.04526	13.8
137.02429	0.8
139.00374	1.1
140.01137	1.0
149.02466	0.5
149.06067	1.5
151.03972	0.6
153.01953	1.3
158.13580	0.5
161.02437	100.0
162.02769	2.5
165.32655	0.5
166.06355	1.9
168.00681	0.7
169.01451	2.4
171.10342	0.5
175.02438	0.6
177.04034	3.1
177.05534	2.0
179.03484	11.4
181.08714	1.1
182.99347	1.3
183.13969	1.1
186.19795	0.5
187.23354	0.5
194.18268	0.5
198.01688	0.8
201.11319	1.6
215.12724	0.5
221.04543	1.7
227.12837	1.2
231.56987	0.5
281.06512	1.5
313.53336	0.6
323.07709	2.1
389.25455	1.4
504.15405	0.8
504.22736	0.5
505.17093	11.1
523.18195	0.6
567.24176	85.3
568.16577	0.8
568.24677	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	567.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49409	0.5
57.03449	1.3
59.01377	4.7
60.99318	0.7
61.98829	17.1
64.49057	0.4
71.01385	3.1
71.53010	0.6
72.99315	0.8
75.00878	2.3
75.03221	0.5
82.95409	0.9
85.02988	1.4
87.00878	0.8
88.98808	5.3
89.02455	1.8
91.01841	0.6
96.96019	0.6
99.00896	0.7
101.02451	1.9
105.03446	1.0
109.02952	1.0
111.00860	0.6
113.02472	1.3
114.93435	0.7
115.00333	0.5
116.92889	0.9
117.03501	1.0
117.92856	0.5
119.04990	0.6
121.02936	0.8
125.02451	1.8
129.01950	1.4
132.02158	1.9
133.02954	31.6
134.03693	1.8
135.00905	0.5
135.03000	0.6
135.04526	13.8
137.02429	0.8
139.00374	1.1
140.01137	1.0
149.02466	0.5
149.06067	1.5
151.03972	0.6
153.01953	1.3
158.13580	0.5
161.02437	100.0
162.02769	2.5
165.32655	0.5
166.06355	1.9
168.00681	0.7
169.01451	2.4
171.10342	0.5
175.02438	0.6
177.04034	3.1
177.05534	2.0
179.03484	11.4
181.08714	1.1
182.99347	1.3
183.13969	1.1
186.19795	0.5
187.23354	0.5
194.18268	0.5
198.01688	0.8
201.11319	1.6
215.12724	0.5
221.04543	1.7
227.12837	1.2
231.56987	0.5
281.06512	1.5
313.53336	0.6
323.07709	2.1
389.25455	1.4
504.15405	0.8
504.22736	0.5
505.17093	11.1
523.18195	0.6
567.24176	85.3
568.16577	0.8
568.24677	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	567.2291
Annotation	Chinikomycin A
Peak:m/z	Relative Intensity
55.63578	2.5
57.03453	2.9
57.27856	2.4
57.29044	2.1
59.01380	100.0
59.57689	2.5
63.48231	2.8
69.64320	2.1
71.01383	28.2
71.09906	4.7
72.99299	2.8
73.02938	3.2
75.00875	5.5
85.02953	8.1
87.00888	3.0
89.02447	28.1
99.04522	9.2
101.02449	10.7
108.02217	2.5
113.02456	10.2
119.03487	8.2
121.02919	2.3
127.68852	2.4
135.02963	13.6
135.04489	3.1
149.02429	7.7
150.03217	19.9
155.10808	8.5
161.02461	7.0
161.04576	3.0
164.04770	3.6
165.05542	18.3
165.12744	3.8
179.03554	3.4
179.05605	4.4
183.10170	2.6
195.06677	12.8
207.13898	13.3
209.08380	2.8
209.11871	28.4
225.14943	10.9
251.12862	6.6
269.13916	77.5
270.14120	3.1
357.13513	11.4
387.16605	8.5
415.11877	3.2
449.20386	77.9
450.20963	3.2
567.23053	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60829	1.6
54.88787	1.5
56.13391	1.4
59.01105	2.6
59.01379	32.3
61.98824	1.9
64.01931	1.3
71.01385	8.6
72.46210	1.8
73.02972	1.8
75.00870	5.7
76.80432	1.5
85.02939	4.1
87.00834	1.8
88.49044	1.6
88.98803	4.6
89.02448	3.6
98.19877	5.8
101.02441	4.7
103.21549	1.6
108.02183	2.9
113.02435	2.2
116.92931	1.8
117.03440	2.6
119.05022	2.5
121.02945	9.3
122.03726	8.6
123.00929	2.2
123.04480	3.0
125.02450	3.8
131.15178	1.6
133.02951	11.1
134.03700	6.3
135.04530	14.7
136.04849	2.3
137.02383	3.0
145.02905	2.5
146.03737	32.2
147.04222	1.6
147.63731	1.6
149.02478	12.1
149.06065	10.0
150.03224	9.5
161.02429	28.4
161.06078	33.3
162.02856	4.6
163.04001	3.7
164.04810	9.2
165.01923	13.1
165.05519	11.4
166.06369	17.6
167.07133	100.0
168.07500	2.8
169.01366	4.5
177.04066	2.1
177.05566	2.4
179.03444	5.4
179.07092	7.2
180.04309	10.4
183.13771	2.8
193.01385	2.6
195.05022	2.5
195.06618	18.7
201.11295	3.2
208.03751	6.6
210.05379	2.6
221.04781	2.0
221.08104	6.3
223.06108	20.7
225.07693	11.2
227.12842	3.5
230.13908	2.8
280.99200	1.8
291.48657	1.6
311.09326	2.1
312.09921	2.9
315.12341	11.9
327.12341	53.5
343.11761	10.1
345.13376	42.6
389.17975	1.9
389.25192	4.1
401.12390	2.3
405.17343	2.6
449.19888	1.7
460.13458	3.4
477.10245	6.3
479.10550	1.8
504.14429	1.9
519.19135	2.4
523.27435	4.3
567.24078	22.6
567.31409	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	567.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.0
58.00603	2.6
59.01380	85.2
71.01009	4.0
71.01380	30.6
72.99299	6.1
73.02948	3.1
75.00879	24.6
78.59795	1.9
83.01363	2.8
85.02960	8.8
87.00877	7.6
89.02442	25.9
95.01361	2.8
97.02928	1.8
99.00885	3.8
99.04497	9.1
101.02458	10.7
113.02455	6.4
119.03499	6.1
125.02485	2.6
129.01939	7.0
133.02953	14.6
134.03745	14.6
135.02997	38.6
135.04510	8.3
137.02409	3.6
143.03656	1.9
146.03778	2.2
147.02971	3.4
148.05293	1.9
149.02431	2.5
149.06087	9.7
150.03181	6.2
159.02966	3.1
161.02449	35.5
165.01913	4.2
165.05518	7.3
165.12897	4.0
167.07072	10.5
169.01366	4.2
175.04013	2.7
177.01921	4.7
177.04050	40.8
177.05479	3.9
178.02696	4.9
179.03455	7.7
179.05652	3.9
179.07101	6.2
180.04221	3.9
189.12871	3.2
193.05064	19.1
195.06569	7.2
207.13889	13.8
209.11804	33.0
221.04445	2.2
225.07686	4.3
225.14890	12.0
235.06107	2.7
251.12863	10.3
269.13922	66.8
281.06607	3.5
293.09250	2.2
311.10318	2.4
315.12430	3.7
371.11417	2.4
387.16736	3.1
434.87762	1.9
436.71033	2.2
449.20264	100.0
450.20709	4.5
549.15936	14.0
567.23895	79.6
568.23749	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	567.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11989	0.5
59.01378	6.3
61.98830	8.6
65.00325	1.1
65.03963	3.2
66.09807	0.4
67.01891	2.0
71.01378	4.1
71.53181	0.8
73.02942	0.8
75.00875	1.8
78.04137	0.5
84.53597	0.5
85.02959	1.7
87.00898	0.9
88.98820	0.4
89.02435	4.4
91.01319	1.1
91.01896	21.8
92.02235	0.5
99.00891	1.8
101.02419	2.5
107.01373	0.6
108.06875	0.6
109.02950	26.5
113.02443	1.3
116.92895	0.8
117.03426	0.7
118.92756	0.8
119.03487	1.1
120.92282	0.5
123.00881	1.3
125.01659	0.5
125.02399	3.0
131.03473	0.5
132.02179	0.6
133.02959	13.1
135.00885	65.9
135.04495	5.2
136.01195	1.2
137.02493	0.6
146.03732	0.7
151.00369	0.6
153.01932	100.0
154.02274	2.4
161.02435	44.4
162.02782	2.3
169.01419	3.2
177.01942	1.3
177.04050	2.0
177.05551	1.2
179.03487	4.9
183.13957	0.6
183.99416	0.5
194.05672	0.6
195.05168	0.9
202.31491	0.5
209.08168	0.8
221.04680	0.6
221.06778	0.6
227.12872	0.5
243.06607	2.2
255.03023	0.6
271.02576	0.6
281.06662	0.8
287.91888	0.5
300.02582	1.0
312.31876	0.4
324.07916	1.2
324.18747	0.5
334.22635	0.6
354.62732	0.5
387.17181	0.7
389.25174	0.6
444.83289	0.5
459.11523	3.7
504.16031	5.3
567.16785	4.1
567.24225	32.2
568.24609	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72226	1.0
55.01862	1.3
55.60567	1.2
57.03444	2.2
58.00592	3.2
59.01377	100.0
60.01701	1.4
60.99302	2.4
61.98828	20.3
67.01874	1.6
69.03455	10.7
71.01381	48.8
71.53584	1.5
72.99299	4.2
73.02953	8.3
75.00862	3.1
77.63638	1.0
79.01903	5.9
80.12564	1.1
81.03429	1.9
83.01380	5.8
85.02945	13.1
87.00867	5.8
88.98801	13.5
89.02444	55.7
93.03464	1.9
95.01378	6.0
97.02941	10.2
99.00897	3.2
101.02448	33.2
107.01390	12.0
108.02177	24.7
109.02977	11.5
113.02450	20.2
117.03489	2.0
119.03500	25.6
119.04907	1.7
119.45196	1.2
121.02976	1.4
123.00879	7.9
124.01677	1.4
125.02442	33.1
130.82059	1.1
131.03505	5.3
133.02965	2.6
135.00890	12.2
135.04495	4.1
137.02452	4.6
139.00369	1.7
141.01892	1.4
143.03487	8.2
145.02945	6.9
146.03743	3.0
149.02383	1.6
149.04581	1.4
151.00357	3.5
151.03952	2.1
152.01141	37.1
153.01938	23.7
160.59882	1.1
161.02463	10.1
161.04509	9.2
163.03993	2.7
164.04710	1.5
165.05424	1.3
165.12796	1.1
168.00699	1.3
169.01421	11.4
177.01857	1.3
179.03508	2.8
179.05618	8.8
179.07121	4.4
183.10188	1.4
183.13980	1.5
191.05666	1.2
195.02924	2.1
195.06731	1.3
197.06059	1.9
211.02469	1.3
221.06648	13.6
229.05081	1.2
229.22691	1.2
243.06580	11.8
245.06648	2.1
263.07675	5.6
271.04468	2.3
284.03198	1.5
285.04114	3.5
319.24197	1.9
323.09915	9.0
337.25635	1.4
405.11850	1.2
459.11414	41.2
460.11737	2.3
477.13980	6.7
489.32248	2.0
497.68320	1.3
505.31641	1.9
507.33716	3.1
525.28790	1.6
531.22357	4.2
549.19244	1.6
567.23883	18.9
567.32001	5.8
570.63141	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	567.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	38.2
59.86827	0.7
61.98829	11.2
70.26634	0.7
70.71024	0.7
71.01384	5.3
72.99330	0.8
73.02950	2.6
75.00852	1.2
75.67065	0.6
80.55576	0.9
85.02953	2.8
87.00935	0.9
87.63988	0.6
88.98794	1.2
89.02481	1.9
93.03457	44.9
95.01387	1.0
97.02951	0.8
97.07129	0.7
98.19945	2.2
99.00897	2.5
101.02440	2.2
107.01399	1.7
108.02175	45.3
109.02975	9.0
113.02432	1.3
121.02955	1.4
123.00864	1.4
123.04485	1.0
125.02438	4.8
133.02968	2.6
135.04550	3.8
137.02441	61.3
145.02951	1.6
151.00366	2.3
151.04042	1.5
152.01154	87.0
153.01981	4.9
161.02475	6.5
161.04572	1.8
163.03995	3.5
165.04115	0.8
165.05492	0.8
166.02628	0.9
168.00665	0.9
169.01453	5.6
177.01909	1.7
179.03540	2.3
183.13925	1.3
188.63420	0.8
207.03008	1.3
227.03484	8.9
229.04990	0.8
241.05052	2.1
249.53679	0.8
255.02974	12.8
255.05450	1.1
256.03583	1.6
257.04575	1.7
259.06042	2.5
273.98804	0.7
281.06808	0.9
284.03259	15.6
285.04010	13.1
301.72931	0.8
315.07382	0.7
322.80832	0.7
323.07748	1.1
325.10876	0.8
374.41873	0.8
429.10349	5.6
435.09814	1.4
445.53934	0.8
447.11444	10.5
489.32529	0.9
507.33374	2.3
518.82977	0.8
549.13782	1.0
567.13416	100.0
567.23785	11.0
568.13580	7.0
568.22345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56486	2.7
57.03450	9.4
59.01379	88.2
61.24907	2.3
61.98830	3.7
68.99802	3.1
69.68922	6.3
69.69334	7.1
71.01381	40.8
72.99303	9.6
73.02961	3.5
74.13284	2.4
75.00871	54.7
83.01398	4.0
85.02957	16.7
87.00877	16.2
89.02453	26.2
97.02913	4.2
99.00867	8.9
99.04513	6.9
101.02460	10.6
101.86267	2.3
109.02976	2.7
113.02422	8.3
117.01922	3.3
119.03513	7.2
119.05029	4.9
121.02961	5.2
121.06592	2.4
122.03757	3.6
123.00861	2.3
123.04484	2.3
125.02451	7.6
129.01942	15.8
133.02948	24.6
134.03732	27.4
135.02995	36.8
135.04485	11.4
137.02460	6.7
146.03729	3.3
147.03009	2.6
149.02426	7.9
149.04663	3.1
149.06070	12.5
150.03247	19.2
151.00314	2.7
151.03949	3.0
159.03003	2.7
160.01691	3.5
161.02437	51.4
161.04593	2.2
161.06079	3.3
163.03958	3.1
164.04828	3.6
165.01936	7.3
165.05576	25.5
165.12750	2.7
167.07198	12.4
175.03967	7.8
177.01889	5.2
177.02170	3.8
177.04045	100.0
177.05415	3.7
178.02837	13.1
178.04204	4.0
179.03508	12.9
179.05638	3.6
179.07085	8.9
180.04202	4.2
193.05029	36.2
195.06625	16.9
196.35669	2.3
207.13902	7.6
209.11842	24.0
210.05400	2.5
214.39842	2.4
225.07599	5.5
225.14914	6.8
235.06171	5.1
251.12865	7.0
269.13922	57.8
270.14285	3.0
281.06561	5.9
281.14694	2.3
282.09317	3.1
287.14825	3.3
293.09433	3.7
311.10358	6.6
315.12433	6.4
327.12381	3.6
341.10184	7.1
353.08682	4.8
389.12408	4.4
415.12451	4.8
446.95645	2.6
449.20331	85.3
450.20663	3.2
451.28122	2.4
549.16168	27.7
567.16870	70.6
567.23340	55.5
568.16925	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	567.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.3
60.42248	0.4
61.98832	4.0
65.00330	1.4
66.29206	0.4
69.64586	3.0
71.01390	0.6
83.01398	1.1
97.63864	0.5
98.19876	0.7
99.96783	0.5
100.55616	0.6
107.01398	2.5
108.02165	1.2
109.02922	1.0
114.10155	0.5
117.03441	0.6
121.02939	2.0
123.00911	0.5
125.02440	1.6
135.00896	1.5
148.01688	1.4
149.02505	0.6
151.00366	9.1
161.02444	1.4
163.00417	2.5
163.04166	0.7
169.01418	1.2
174.03160	0.8
175.03998	1.4
178.99838	4.1
183.04485	1.1
190.02684	0.7
198.03130	0.9
199.04022	2.1
211.04047	0.9
215.03493	1.4
226.02731	4.5
227.03487	4.9
243.02974	20.5
244.03372	0.8
254.02180	5.7
255.02980	23.9
256.03497	1.4
257.81549	0.5
271.02466	87.4
272.03052	5.7
273.03952	0.7
283.02377	0.7
299.01822	1.2
300.02737	100.0
301.03467	27.5
302.04010	0.9
343.04303	1.3
405.19614	0.7
445.07706	1.2
507.33032	0.7
567.11420	88.6
567.23871	2.4
568.11700	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	567.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64870	0.7
59.01386	5.1
61.98827	8.5
66.03130	0.7
69.22255	4.2
69.22688	3.4
75.00874	1.5
81.03962	1.0
83.01398	1.2
85.02968	1.8
87.00871	1.0
87.38288	0.8
92.50312	0.6
93.03448	5.0
101.02427	1.2
103.56023	0.9
107.01348	1.8
109.02959	0.9
113.02412	0.9
123.00900	0.9
125.02409	1.0
125.96693	0.8
129.01891	1.1
133.02957	2.2
135.00896	1.5
135.04466	1.6
137.02419	6.6
151.00375	5.0
151.03999	1.1
161.02419	4.3
163.00377	1.7
164.01210	0.8
165.12827	2.0
169.01384	2.2
177.04102	1.3
177.05592	1.2
179.03488	2.7
180.03868	1.3
183.13968	1.8
197.05923	0.9
199.03940	0.8
211.04053	1.9
212.04811	0.9
213.05457	0.9
220.11903	0.7
221.04509	0.9
227.03479	41.3
227.12816	1.3
228.03856	2.2
229.05009	4.8
239.03647	1.0
241.05037	0.8
255.02979	64.8
256.03616	10.1
257.04532	4.2
271.63257	0.7
281.06711	2.0
284.03250	98.6
285.03998	32.6
286.04520	1.7
405.17786	0.9
415.12476	1.0
436.23459	0.8
447.09177	2.3
489.33829	1.0
567.11432	100.0
567.24066	6.1
568.11725	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	567.1142
Annotation	2''-O-p-Hydroxybenzoylorientin
Peak:m/z	Relative Intensity
56.78056	0.6
59.01383	3.2
61.98821	2.3
62.97638	0.5
65.00342	1.5
69.58379	3.2
69.58798	1.6
83.01386	0.9
93.03458	5.3
101.02427	0.9
107.01382	4.1
125.02473	4.6
127.48207	0.6
132.02156	1.0
133.03033	0.7
135.00909	1.4
135.04466	0.9
137.02434	6.3
139.04045	0.7
145.02951	1.0
151.00385	5.5
159.04518	1.0
161.02417	1.8
163.00349	2.5
164.01056	0.6
169.01436	8.4
171.04503	1.4
183.04480	1.2
185.06055	2.2
187.03993	2.2
187.42493	0.7
189.05655	1.1
190.99948	0.6
195.04488	1.3
199.03998	1.3
211.04063	3.6
212.04672	0.8
213.05586	2.3
214.02754	0.9
227.03487	37.7
228.03804	1.1
229.05067	7.4
239.03491	1.8
240.04109	0.7
241.05026	1.0
255.02983	67.8
256.03665	9.2
257.04547	6.6
268.03796	0.6
281.06570	3.4
283.02322	0.9
284.03256	77.8
285.04016	64.8
285.08615	1.0
286.04410	2.4
426.15576	0.6
447.09406	1.1
543.46515	0.6
567.11420	100.0
568.11591	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	566.333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10727	0.6
59.01376	8.5
61.98829	100.0
64.78978	0.6
69.19185	1.3
69.19586	6.3
95.66219	0.7
96.96024	1.3
125.02457	1.1
137.02448	1.1
149.99619	0.8
158.85480	0.7
161.02483	1.2
173.83858	0.8
192.69220	0.7
202.35617	0.6
202.70625	0.6
227.12770	1.0
280.55048	0.7
494.11148	0.7
526.66266	0.6
547.22308	0.7
566.23254	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	566.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91704	1.0
56.46202	0.8
59.01366	3.4
61.98827	100.0
70.88017	0.9
71.45319	1.2
78.95898	1.0
85.12876	0.9
111.74167	1.0
113.51310	0.9
124.93047	0.9
500.53323	1.1
567.32739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.3
61.98830	5.7
63.99245	0.4
65.00318	1.4
71.01373	0.6
71.30458	0.5
74.48926	0.3
78.95914	0.4
83.01385	1.2
87.54536	0.3
90.93365	0.3
91.01855	0.5
93.03467	0.5
101.02454	0.5
107.01380	3.0
108.02171	1.4
109.02962	1.6
111.00912	0.3
113.02421	0.3
121.02956	1.3
123.00874	0.3
123.04533	0.4
124.01598	0.5
125.02458	1.4
125.61467	0.3
132.02138	0.3
133.02904	0.5
134.03629	0.3
135.00882	1.4
135.04506	0.5
137.02423	0.7
145.02940	0.6
147.00896	0.4
148.01665	1.7
149.02397	0.5
150.99190	0.6
151.00359	9.2
152.01031	0.4
159.04543	0.3
160.01653	0.8
161.02437	1.6
161.67952	0.3
163.00388	2.5
163.04004	0.7
164.01143	0.8
165.01924	0.4
169.01445	1.8
173.06120	0.3
174.03200	0.6
175.04019	1.7
178.99869	4.8
179.07149	0.4
183.04520	0.6
187.03957	0.6
188.04704	0.6
191.03551	0.4
192.00670	0.4
193.01311	0.3
193.05011	0.6
198.03084	0.4
199.03998	1.5
201.01852	0.5
203.03525	0.5
211.04007	1.1
213.01837	0.3
215.03506	1.0
216.04233	0.9
219.39583	0.3
226.02681	5.6
227.03456	4.5
228.04095	0.6
229.04970	0.6
239.03682	0.4
243.02968	20.2
244.03444	0.9
245.04572	0.7
253.99660	0.6
254.02179	6.0
255.02969	23.8
256.03433	0.9
265.07150	0.3
271.02457	86.2
272.03030	5.2
273.03979	0.5
281.06650	0.5
283.02435	0.8
299.01932	1.7
300.02725	100.0
301.03448	26.7
302.03687	0.6
343.04373	1.0
405.19144	1.3
445.07693	1.1
489.32263	1.1
504.15677	0.3
507.33240	1.2
566.26825	0.4
567.11401	77.0
567.24005	3.8
568.11737	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	566.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37244	0.7
59.01372	6.6
61.98829	100.0
62.39934	0.7
70.81794	1.6
75.28455	0.7
81.79920	0.8
170.98761	0.7
222.42694	0.8
567.30164	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	566.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.5
60.01723	0.6
61.98829	100.0
70.41603	1.3
70.41970	1.0
71.05023	0.9
80.04446	0.6
89.76039	0.6
119.11253	0.5
127.04923	0.6
238.70367	0.7
258.95773	0.6
282.60938	0.6
441.33859	0.9
503.33740	9.2
504.34222	0.9
567.32880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98829	100.0
69.34672	1.0
69.35092	1.5
71.16856	0.3
91.22240	0.3
98.09874	0.4
98.20644	0.7
112.64413	0.3
169.84409	0.4
231.42867	0.3
358.44492	0.4
444.80533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03475	0.3
59.01379	1.1
61.98829	100.0
62.54848	0.3
69.68057	0.3
69.99725	1.4
84.72871	0.3
98.20013	0.4
112.84851	0.3
122.15965	0.3
220.68991	0.3
229.37622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41734	0.3
61.98830	100.0
67.91559	0.3
69.49889	1.0
69.50316	1.1
71.05071	0.3
106.83164	0.4
114.76221	0.3
144.48360	0.4
223.11212	0.3
323.19986	0.3
503.33783	6.3
504.34216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23074	0.5
59.01379	36.2
60.01731	2.1
61.98829	100.0
71.01402	0.7
71.05038	0.8
71.47456	0.5
71.52936	0.4
73.02944	1.2
75.00877	0.9
75.35564	0.4
85.02961	0.9
95.01431	0.5
96.96025	0.5
101.02484	0.9
116.66120	0.4
119.05061	0.6
121.02996	0.8
123.00906	0.9
125.02454	0.8
145.03015	0.7
151.00381	0.6
161.02530	0.5
165.12805	0.4
169.01460	0.7
283.20035	0.5
357.24435	0.5
406.30624	1.6
441.30182	1.8
488.30783	0.6
503.29321	0.5
505.35410	0.9
506.36392	5.8
507.34052	1.2
566.23492	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	566.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.1
61.11769	0.7
61.98830	100.0
69.52103	0.7
95.68049	0.8
113.01694	0.8
133.59114	0.7
157.04433	0.8
267.16425	1.1
425.73944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63607	0.2
53.97632	0.2
58.31180	0.2
59.01376	6.4
60.01734	0.3
61.98829	100.0
68.73763	0.2
69.06863	0.2
70.78835	0.6
71.01362	0.3
73.34528	0.2
75.00894	0.3
86.58686	0.2
89.02477	0.2
104.49494	0.2
106.64376	0.2
125.02425	0.3
129.37978	0.2
151.90875	0.2
169.01440	0.3
179.03426	0.3
248.25452	0.3
282.14639	0.2
470.30103	0.3
506.31656	0.3
566.23346	0.8
566.33844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01706	0.8
61.98828	13.5
70.05885	0.4
70.06255	2.3
71.01401	0.6
73.02956	0.5
78.95899	0.5
87.58989	0.6
96.96017	0.9
104.91455	0.4
105.00869	0.5
123.00906	1.1
124.01653	0.6
125.02460	2.1
145.02979	1.4
151.00394	0.8
161.02324	0.9
162.91634	0.5
162.97244	0.5
163.04015	1.1
163.72365	0.5
165.12914	0.5
168.00610	1.2
169.01411	3.4
183.13802	0.7
187.89548	0.6
211.53336	0.5
227.12929	1.0
235.06119	0.7
237.21106	0.4
313.05820	0.4
375.29211	1.9
375.59116	0.5
399.29272	0.8
405.30038	9.6
413.30542	2.9
419.23236	0.6
431.31906	1.5
439.32358	0.9
457.33569	1.0
459.30966	3.6
475.34525	1.0
485.32965	0.9
505.35437	46.3
506.35812	3.9
565.23273	5.1
565.30896	2.2
565.38324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.4
59.01379	100.0
60.01722	0.8
61.98831	4.5
63.73647	0.4
71.01405	1.6
71.01764	0.6
73.02949	0.9
78.95892	0.6
80.79496	0.5
85.02975	1.1
89.02431	0.5
94.42639	0.4
99.04577	0.4
100.84348	0.4
109.02937	0.6
125.02467	0.6
134.03734	2.0
149.06128	0.7
161.02351	0.8
178.02721	1.4
178.72943	0.4
193.05028	3.4
273.37180	0.4
293.13983	0.7
315.19131	0.4
352.83133	0.5
375.29041	1.5
399.29108	0.7
405.30106	10.6
406.30463	0.6
413.30637	1.6
423.32513	0.9
425.30493	0.4
431.31824	2.0
439.32239	1.3
441.29797	0.7
457.33163	1.5
459.31082	4.6
469.33203	0.6
475.34518	1.3
485.33038	0.7
487.34280	0.6
505.35388	60.1
506.35587	4.4
565.37952	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	565.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01683	1.5
59.01379	100.0
60.01702	1.8
61.98828	63.2
65.51929	1.4
69.24643	6.6
69.25076	5.9
71.01371	3.2
75.00871	2.3
85.02957	1.7
87.13332	1.3
121.55326	1.4
132.84142	1.4
158.98439	1.3
173.36810	1.3
193.27817	1.3
222.35338	1.3
264.73108	1.3
268.48486	1.8
358.80200	1.5
505.31653	4.7
529.30029	6.0
565.28046	5.8
572.73853	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85409	0.4
59.01379	100.0
60.01706	0.9
61.98833	14.2
69.40597	3.0
69.68240	0.4
71.01381	1.2
72.33961	0.4
73.02943	0.4
75.00880	1.2
77.48727	0.4
85.02963	0.5
98.19796	0.4
100.57721	0.4
103.34259	0.4
123.04491	0.8
125.02474	0.8
167.03543	0.9
168.71649	0.4
190.02827	0.5
211.88145	0.4
265.18976	0.4
271.22815	0.6
273.07727	1.7
276.63745	0.4
297.07526	0.5
397.83945	0.4
433.28052	0.6
459.30835	0.5
461.33176	0.6
487.30850	0.5
505.31439	1.8
565.31750	3.8
592.71405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01379	86.1
61.98831	15.4
62.74233	0.6
65.00317	0.7
67.01887	1.4
69.03465	1.0
69.62024	1.6
69.62431	2.4
71.01376	7.0
71.05040	0.9
72.99316	1.4
73.02954	3.0
75.00876	2.1
77.64674	0.6
79.01883	3.1
81.03477	0.7
83.01388	1.2
83.04546	0.6
83.05008	1.4
85.02962	2.2
85.81097	0.7
87.00868	0.6
89.02454	1.8
93.03458	1.8
95.01382	3.6
95.05040	0.7
96.95960	0.9
97.02944	1.0
101.02469	2.2
107.01392	10.0
107.05035	1.2
109.02953	2.0
111.00887	2.3
111.04493	0.9
111.08127	0.8
113.02453	2.9
117.03463	1.1
119.05104	0.8
121.02999	1.3
123.00884	29.0
123.04525	2.7
124.01659	0.9
125.02448	34.2
133.02994	1.5
134.03745	16.3
135.04547	1.9
136.98871	0.9
137.02449	5.3
137.06061	0.9
137.09715	5.4
139.00380	6.5
139.04001	2.2
140.01108	1.2
141.01987	3.1
145.02945	5.4
149.02356	1.0
149.06096	4.3
151.00380	18.5
151.04016	7.2
153.01945	2.2
160.01707	1.0
161.02477	1.8
163.04042	1.2
163.07661	0.7
165.01927	1.6
165.12827	1.7
167.03508	1.8
167.10713	0.8
168.00653	5.0
169.01424	52.4
175.04018	1.1
178.02715	10.6
179.03487	1.5
183.13937	3.7
191.83875	0.6
193.01419	1.1
193.05045	21.9
202.71667	0.6
203.07019	0.7
205.08624	0.8
209.11780	0.8
211.02501	8.2
223.02190	0.8
223.13150	0.7
227.12837	4.7
235.06145	0.8
251.12892	2.3
251.16550	2.1
253.03618	0.8
257.08270	1.5
265.18182	1.3
275.16434	3.8
293.13986	8.7
293.17392	1.1
313.05750	3.5
331.06732	1.2
331.12808	0.7
359.10861	0.8
371.17139	2.4
387.07132	0.6
405.30127	3.4
419.04230	0.8
419.13226	0.9
431.31516	1.0
441.29559	0.8
456.77264	0.8
459.31006	2.1
487.30487	2.4
503.18927	0.9
503.29816	0.9
505.35806	16.0
506.35620	1.3
565.22845	100.0
566.23187	7.6
592.47168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76159	0.7
57.03437	0.8
59.01381	31.5
61.98829	50.6
65.16223	0.8
69.03431	0.8
69.29396	7.4
71.01381	5.6
73.02946	2.3
75.00866	1.9
83.01392	1.2
83.05051	0.9
83.38261	0.8
85.02972	4.5
87.00870	1.6
87.04528	0.9
89.02447	2.8
92.85412	0.9
93.03455	1.4
95.01444	1.0
100.24848	1.0
101.02437	2.6
107.01421	0.9
109.02927	2.0
113.02404	2.0
116.92849	1.1
117.03466	1.9
119.03459	1.8
125.02434	3.4
129.25063	0.9
132.02167	16.3
133.02945	4.0
134.03743	20.1
137.02452	2.5
145.02965	2.5
149.06071	3.9
153.01906	1.8
155.99190	1.0
160.01654	74.9
161.02422	5.5
161.33852	0.8
165.13005	0.8
168.00655	1.1
169.01419	1.2
175.03995	89.5
176.04376	4.2
177.01929	1.0
179.03482	1.6
193.05055	17.0
231.02942	0.9
389.23096	0.9
391.14511	0.9
403.17584	2.3
417.24884	1.2
431.26300	1.3
449.27921	1.4
505.32852	4.4
521.31323	2.0
540.90277	0.9
565.26520	100.0
566.26910	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	565.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.8
59.01380	100.0
61.98832	4.0
68.46083	2.3
71.01379	42.5
71.05009	2.7
71.51848	2.9
71.52251	3.8
72.99302	5.3
75.00871	26.3
79.07262	2.1
83.01384	2.7
83.05011	8.0
85.02949	6.9
87.00871	8.7
89.02446	40.6
93.03420	3.1
95.01395	3.6
96.95973	3.1
99.04520	13.2
101.02423	17.9
110.04470	2.6
111.00881	12.1
113.02451	12.7
115.00355	8.5
119.03490	10.7
119.05012	7.3
123.00857	2.7
124.01609	3.9
125.02451	20.3
132.93463	2.4
133.02989	4.1
135.02994	63.4
135.04518	4.1
136.03348	2.7
137.03372	3.8
139.00348	2.8
147.04474	2.6
147.45393	2.4
149.02458	2.1
151.00330	8.4
153.01945	19.4
161.02429	6.3
161.04514	2.7
161.13324	2.5
163.04016	4.7
163.11224	12.0
169.01419	28.3
175.02452	9.5
176.65067	2.5
177.04179	3.7
179.05594	9.0
179.07031	2.8
179.10710	4.5
179.14377	3.0
191.05658	4.8
197.00903	5.2
205.12346	4.4
207.10248	46.5
209.09764	16.9
223.09705	9.6
223.13347	17.3
236.64687	2.3
253.08652	5.7
258.37112	2.6
267.12317	38.2
271.09619	2.6
297.12430	2.9
301.27371	2.2
327.08734	2.8
328.09058	4.0
343.11545	2.9
359.06049	8.3
361.09494	3.3
385.14847	7.3
388.11459	2.6
403.16296	11.0
447.12387	5.9
447.18631	96.5
448.18976	3.3
493.09741	5.0
504.84940	2.5
505.19379	2.9
521.09052	5.7
547.07574	2.9
565.21912	92.2
566.21716	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	564.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71716	0.6
53.56498	0.5
59.01370	1.6
59.99952	0.5
61.98829	100.0
71.29953	1.1
95.77567	0.6
95.91192	0.7
163.53001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75844	0.2
54.47575	0.2
59.01382	0.3
61.98829	100.0
66.96296	0.2
67.55486	0.2
78.95912	0.2
80.69600	0.2
98.20671	0.5
113.71136	0.2
161.43449	0.2
196.03795	0.3
226.00015	0.2
229.40039	0.2
407.08945	0.2
471.35193	0.3
530.31561	0.2
536.50555	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.8
57.46700	1.6
58.00605	1.8
59.01379	100.0
61.98829	4.1
69.03450	1.5
70.09126	6.6
71.01385	32.9
71.05034	2.5
71.81047	1.3
72.99303	4.5
73.02945	5.3
75.00869	24.0
79.01848	1.8
81.03416	1.8
83.01415	3.4
83.05022	11.0
85.02955	11.2
85.68980	1.5
86.22983	1.6
87.00874	10.4
89.02449	35.5
93.03490	4.7
95.01402	3.6
98.19936	1.9
99.00872	2.6
99.04509	11.1
99.65762	1.6
101.02439	18.6
107.01421	2.4
111.00874	13.6
112.57062	1.6
113.02451	10.6
115.00383	6.9
117.01935	1.6
119.03496	10.6
119.05022	3.7
123.00891	5.1
125.02459	14.1
125.06149	1.4
133.02924	2.2
135.02997	46.9
135.04584	5.7
136.03357	2.2
137.03412	2.3
139.00357	2.3
143.03503	2.6
149.02522	2.4
149.04652	1.8
151.00391	7.1
153.00882	1.4
153.01917	9.1
157.01414	2.0
161.02452	3.8
161.04585	1.9
161.09746	2.9
161.13391	2.5
163.04047	2.1
163.11337	10.8
165.05611	2.5
167.10774	1.5
169.01411	17.3
175.02496	6.9
177.04120	4.3
177.05602	2.2
179.05650	6.0
179.10820	5.9
179.14421	2.3
189.05714	1.6
191.05786	1.7
197.00919	2.3
205.12271	2.5
207.10245	36.8
208.10625	1.9
209.09778	6.1
223.09761	9.5
223.13362	15.7
249.11407	2.0
253.08696	2.6
267.12335	40.5
287.02094	1.8
299.99106	1.6
300.99768	2.0
316.02368	3.2
327.08936	2.0
328.09360	1.7
329.09476	2.3
343.11899	3.3
359.06421	4.3
385.04327	2.3
385.15170	7.0
387.11685	1.8
387.16864	4.0
403.16180	12.7
431.15048	1.7
445.12509	3.0
447.12375	3.8
447.18665	80.2
448.19312	4.6
477.10675	2.5
493.10214	1.7
503.15561	2.0
505.19510	2.8
521.09729	5.1
565.21722	86.7
566.22101	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	563.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01718	0.5
61.98828	9.5
63.55258	0.3
72.99297	0.8
73.02941	0.6
73.07000	0.4
83.53289	0.4
98.20654	0.9
102.12516	0.4
145.02959	0.5
168.27620	0.4
182.11047	0.3
287.55850	0.4
338.75412	0.4
343.71576	0.4
437.31421	0.4
441.33392	0.5
456.76993	0.4
472.09277	0.4
473.32819	0.8
503.33899	8.2
563.29700	1.3
563.36743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92902	0.9
58.00559	1.1
59.01378	100.0
60.01723	1.5
61.98831	54.8
70.86176	2.6
70.98891	1.0
72.98553	1.0
75.00865	3.5
80.96510	2.0
85.99480	0.9
87.26466	0.9
88.03983	0.9
89.02428	3.2
96.96007	2.2
106.16356	1.1
179.03526	1.3
220.28059	1.1
277.21677	9.8
278.22018	5.9
382.50458	1.1
391.26590	1.3
405.27795	1.3
407.29407	2.1
409.27301	4.8
421.31012	3.6
423.33069	2.0
425.30615	13.3
439.32214	12.9
441.33694	48.4
442.33832	3.7
457.33093	1.2
459.34427	3.3
467.31619	1.7
485.32693	36.4
486.32886	2.1
502.29282	1.4
503.33838	38.8
504.34030	2.3
563.25641	3.5
563.35718	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	563.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.94757	0.9
60.01714	1.1
61.98829	19.1
69.33836	4.9
69.34258	3.5
75.00890	1.1
75.60874	1.0
83.92837	1.1
89.78067	1.0
98.20695	1.8
108.07751	1.0
115.62961	0.9
118.09613	1.0
149.34099	1.0
152.99635	1.4
155.85242	1.2
204.63521	1.2
218.26050	1.1
247.01886	1.1
279.23248	6.4
382.76764	1.1
403.05630	1.2
418.27405	1.0
423.32443	3.2
441.33701	19.3
459.34830	17.9
460.35117	1.3
503.33875	24.0
504.30789	2.0
527.33685	3.5
563.34515	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	564.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93542	0.3
54.82695	0.2
59.01376	2.6
61.98829	100.0
71.01380	0.7
85.02969	0.3
98.20734	0.5
101.02457	0.6
103.33076	0.3
113.02442	0.5
117.03470	0.7
119.04978	0.3
125.02414	0.4
134.03772	0.6
137.02467	0.3
145.02948	1.9
160.01682	2.2
161.02196	0.8
175.03999	2.4
176.04456	0.5
193.05043	0.5
195.14066	0.3
255.06712	0.5
256.07123	0.7
266.79846	0.2
421.50394	0.4
478.93863	0.3
501.14297	0.6
503.32324	1.0
504.32758	0.3
563.24841	0.6
564.17902	0.4
564.25128	1.8
565.30957	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	563.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35854	0.4
59.01380	100.0
60.01709	1.2
61.98827	0.8
71.01012	1.0
81.95580	0.4
103.51425	0.4
117.56364	0.4
120.96207	0.3
136.49683	0.5
170.84415	0.5
204.08708	0.4
306.55386	0.4
407.29623	0.5
421.31378	1.1
423.32755	2.1
426.85199	0.5
441.33575	0.8
455.31580	2.6
459.34747	6.9
467.31454	0.8
485.33539	0.5
503.34088	0.7
563.35815	5.7
563.43695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.85161	0.3
60.01720	0.8
61.98830	6.7
66.72667	0.4
69.43628	2.1
69.44032	0.6
71.04980	0.5
75.00899	0.3
161.02412	0.4
165.58270	0.4
279.76309	0.4
309.92160	0.3
381.95786	0.3
459.30817	0.4
503.34232	5.2
504.34396	0.6
517.32666	0.4
563.22003	0.5
563.31244	1.3
585.94324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01696	0.5
61.98831	1.9
69.21770	4.1
82.94619	0.5
91.00893	0.4
93.07027	0.4
142.07065	0.4
184.01198	0.4
242.23337	0.4
265.46854	0.4
563.36151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56460	1.9
59.01378	75.2
61.98829	42.4
70.67753	5.8
74.76116	1.9
75.00856	2.9
78.95911	2.4
101.28014	1.6
105.06145	1.7
158.93433	2.0
184.41217	2.3
413.30286	3.0
455.31564	6.1
473.32755	48.5
474.32745	3.5
503.33972	100.0
504.33957	4.5
563.28711	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	563.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98828	16.7
71.01302	1.7
71.01627	1.0
71.05013	1.1
75.00880	1.4
75.28452	0.9
98.20538	1.0
105.05863	0.8
112.60799	0.8
201.01122	0.9
387.22775	0.9
397.31183	1.2
407.29605	2.1
421.27036	1.6
423.32925	1.2
441.28204	1.0
441.33771	13.2
455.31412	2.1
463.83743	1.0
473.32785	12.5
485.32788	2.7
503.33804	25.7
504.33472	1.7
563.35437	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37032	0.4
59.01378	100.0
60.01723	0.5
69.24053	4.1
80.03480	0.4
96.11623	0.4
98.19849	0.8
107.04057	0.4
133.22433	0.4
423.32886	1.6
441.33716	2.7
455.32135	1.0
459.34799	4.6
460.35550	0.5
485.32953	0.8
503.33853	1.1
563.35883	13.6
564.36243	1.0
588.90295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47692	1.9
56.88404	1.8
57.03440	2.8
59.01380	53.7
61.98828	4.7
64.48809	1.7
69.03466	8.7
71.01385	26.6
72.99302	3.6
73.02944	4.3
75.00862	10.3
77.38834	1.8
83.01369	4.9
83.15898	1.7
85.02953	14.5
87.00870	5.4
89.02455	25.3
93.03444	3.8
95.01364	2.5
96.96002	16.5
97.02956	13.2
98.95599	10.8
99.00876	9.2
99.04526	3.6
99.92550	2.5
101.02439	10.1
102.71046	1.8
105.01909	2.2
109.02969	3.6
111.00856	6.1
111.04464	2.1
113.02414	9.4
113.05104	1.9
113.99593	5.0
115.00349	5.5
117.78766	1.7
119.03540	3.6
119.05024	4.1
123.00921	3.5
125.02464	8.2
127.00366	2.9
129.01932	12.0
133.02969	2.9
135.02997	16.4
135.04532	2.9
135.11781	6.8
137.02422	3.2
139.00365	2.6
139.11243	2.4
141.01933	11.9
151.00426	1.9
151.03992	3.1
157.01324	2.7
159.03014	9.5
161.02432	7.3
161.09705	4.4
163.04004	4.0
165.04008	3.2
169.01402	7.1
174.01698	5.7
175.02440	4.2
177.04056	9.5
179.03468	2.0
179.05560	3.0
179.10762	34.1
181.12268	2.3
183.10274	4.5
195.05058	1.9
205.08482	2.0
223.09711	21.4
223.13390	2.6
243.12390	2.9
299.01968	2.5
327.09006	3.2
329.13959	2.5
338.51379	2.0
365.12628	2.7
382.94907	3.2
383.13434	51.6
384.13672	2.8
385.15475	2.3
401.14789	2.2
403.16257	5.2
430.06760	3.0
431.07660	2.2
445.17242	1.9
501.19852	29.9
503.18332	5.3
526.98511	2.3
545.18842	10.1
560.05670	2.0
563.01306	5.9
563.19824	100.0
564.20172	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	563.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00812	0.8
57.03452	1.3
59.01382	10.4
61.98829	13.0
71.01371	4.0
71.53296	1.3
73.02942	1.0
75.00867	2.0
83.05038	1.0
85.02943	3.4
87.00861	1.3
89.02442	2.2
93.03451	2.6
95.01411	1.0
101.02452	3.5
101.13807	0.8
113.02448	2.4
117.03445	1.3
118.29732	0.8
119.03498	0.8
119.05038	1.4
121.03001	1.1
122.03751	0.9
123.04484	1.0
125.02454	2.1
132.02165	17.8
133.02960	9.0
134.03755	17.3
135.03020	3.0
135.04530	20.3
136.01703	1.1
137.02487	2.9
145.02951	3.7
149.06123	2.5
150.03279	1.2
160.01656	84.0
161.02484	11.0
161.04527	1.2
162.02901	1.0
163.04019	1.9
167.03496	1.1
171.84680	0.9
175.03990	87.3
176.04402	2.2
177.01968	3.4
178.02724	1.0
179.03485	19.2
180.03955	0.9
183.13846	1.1
189.12846	2.3
190.02660	0.8
191.05588	2.4
191.07140	1.5
193.01549	0.9
193.05032	14.8
193.06601	1.4
206.63115	1.0
207.13873	1.0
212.84137	1.0
221.04608	1.4
235.06015	5.2
251.05588	1.0
253.09305	1.0
265.07117	1.9
281.06656	1.4
295.08292	2.9
316.18079	0.9
327.21884	3.3
387.16913	1.3
411.16776	1.4
413.32220	1.1
445.11584	1.7
536.61194	0.9
563.25012	100.0
564.24994	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	561.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	0.6
61.98820	1.2
65.63792	0.6
69.23890	1.8
69.24310	3.2
77.35876	0.5
82.70181	0.6
89.36304	0.7
101.00729	0.6
173.13333	0.6
199.18094	0.6
280.34454	0.6
310.51382	0.7
357.01431	0.6
357.25873	1.8
372.24515	0.9
373.28976	4.5
387.26999	2.0
391.30154	1.4
405.28091	6.9
409.31134	7.0
410.31665	0.9
423.29138	6.8
435.29428	0.6
439.31949	1.0
457.33261	16.5
458.33630	0.7
480.31284	0.6
501.32196	4.7
561.34656	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	561.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34743	1.1
52.85466	0.8
61.98811	4.4
68.09435	0.9
69.47965	1.7
69.48374	5.4
78.95905	1.8
82.65929	1.0
97.40986	1.0
104.50265	1.3
126.98627	1.1
148.66631	0.9
148.84839	1.1
152.99553	3.9
165.12863	12.3
171.10220	1.8
183.13904	100.0
184.14209	2.8
209.11823	7.3
227.12856	6.3
277.21716	74.1
278.21945	2.5
283.15176	1.1
290.84241	1.3
301.16556	7.4
307.09067	1.2
325.10486	1.6
441.13708	1.0
469.00714	1.2
517.24896	2.1
521.21698	1.1
561.37872	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	562.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64492	8.5
61.98830	100.0
70.11647	33.2
78.95914	23.4
152.99591	23.5
212.97333	8.2
290.39911	8.4
555.23975	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	563.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76092	0.4
57.01300	0.5
59.01374	3.7
69.52175	3.0
71.01377	1.5
72.99297	2.7
73.54947	0.4
75.00870	24.2
87.00887	0.9
89.02442	5.5
93.03455	1.9
98.19927	0.9
117.01950	2.0
119.05023	12.4
131.05072	0.5
134.70203	0.5
135.02995	100.0
136.03275	1.1
143.05022	1.6
163.03999	9.4
163.05260	0.9
175.02533	0.9
179.07179	0.5
211.07616	3.4
237.09210	1.4
239.10783	0.8
265.08667	1.9
283.09830	2.0
288.94965	0.5
309.07907	1.0
327.08716	17.5
328.09122	0.7
431.56522	0.5
445.11523	3.1
563.13953	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	561.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96527	0.5
59.01378	100.0
60.01720	0.5
63.35593	0.6
69.35783	4.4
109.50089	0.5
138.17783	0.5
169.30202	0.6
222.80708	0.5
240.13068	0.5
280.61890	0.6
288.71686	0.6
356.63132	0.6
356.67578	0.6
358.10406	0.6
512.34595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58518	0.6
53.67863	0.7
56.68309	0.6
59.01378	100.0
61.75084	0.6
61.98840	1.7
69.28421	4.0
69.28843	1.5
72.46100	0.7
87.95503	0.7
98.19875	1.0
104.80285	0.5
146.06781	0.6
158.53242	0.6
167.15253	0.5
171.78731	0.7
222.96361	0.6
439.31738	0.6
457.33270	0.7
536.66113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09579	0.7
54.53317	0.8
59.01378	100.0
59.81336	0.8
61.65651	0.9
61.98823	5.1
62.72517	0.8
67.93098	0.8
69.22427	1.9
69.22834	6.9
71.05018	3.9
72.82841	0.8
74.41267	0.7
76.10763	0.8
90.00529	0.8
98.20686	1.4
106.47795	0.8
121.36179	0.8
132.73888	0.8
321.22336	1.1
331.24377	1.8
355.26407	6.1
367.26392	6.1
387.25345	1.2
399.25409	2.1
411.25272	1.8
439.31955	2.4
469.33252	1.9
487.34137	3.7
501.32193	18.5
502.32852	1.6
561.27484	2.9
561.35114	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	561.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	0.6
61.98828	15.2
71.01396	1.7
71.05011	0.5
71.52525	0.7
72.99319	0.9
75.00871	1.1
81.03376	0.5
85.02980	0.5
89.02482	1.1
96.96030	0.9
101.02430	0.7
101.76387	0.4
113.02492	0.7
115.63065	0.4
117.03482	2.4
119.04993	1.0
129.52777	0.4
132.02199	0.5
133.02966	2.2
135.04492	1.1
141.19073	0.5
145.02956	9.0
150.03242	0.5
157.38458	0.5
157.46277	0.4
161.02432	7.5
163.04054	1.7
171.10349	1.1
175.04086	0.8
179.03468	1.0
217.01556	0.6
253.04974	0.8
295.02551	1.2
299.01944	0.7
358.81665	0.6
385.23535	0.4
413.25800	0.5
501.32455	3.8
517.35760	1.9
561.15466	0.8
561.27588	9.8
561.34845	2.1
562.27454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.8
57.03453	1.2
58.00563	1.0
59.01379	32.3
69.37630	2.9
69.38042	3.6
71.01379	19.1
72.99307	2.4
73.02943	23.6
75.00845	1.1
83.01403	1.9
85.02948	4.5
87.00855	1.0
88.98824	0.9
89.02442	27.1
93.12610	0.8
95.01369	1.5
96.96011	1.8
98.20640	1.9
99.00877	2.9
99.04534	1.6
101.02453	12.8
109.02953	1.1
113.02443	5.6
119.03517	8.4
119.04963	0.8
125.02443	1.4
131.03499	12.0
133.02933	0.9
135.02962	1.0
135.04535	2.6
135.11861	1.0
143.03477	2.2
145.02957	1.0
149.04555	100.0
161.02426	3.8
161.04605	2.0
161.13370	5.2
168.63150	0.7
169.01599	0.7
179.03497	0.8
179.04230	0.8
179.05592	6.3
187.11290	1.5
191.05614	1.1
205.12340	16.2
237.04044	0.8
249.11327	10.5
288.06427	1.4
381.15494	2.4
385.18597	2.3
429.17627	4.8
473.94870	0.8
533.49353	1.0
553.75122	0.8
561.21918	40.2
562.21985	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63093	1.3
51.64957	1.2
57.03436	2.8
58.01520	0.9
59.01379	50.1
60.01733	1.1
61.98590	1.0
61.98832	12.1
62.73434	1.1
69.03461	2.3
71.01380	5.2
71.05019	3.6
71.32487	1.3
72.99282	1.1
73.02954	3.2
75.00863	2.8
76.64373	1.1
83.01332	1.0
85.02935	3.4
85.06589	100.0
86.06928	1.5
87.00857	1.0
89.02460	1.2
90.98590	3.5
96.96004	1.6
97.02966	1.3
97.06581	1.1
99.00848	1.4
101.02455	3.5
111.08171	2.8
113.02433	1.5
113.05366	1.7
113.06088	21.9
115.04017	18.9
123.08244	1.2
129.01921	1.3
129.05588	7.0
133.02977	1.6
145.02943	1.5
157.05049	5.3
161.02406	3.7
165.12830	22.0
177.04024	4.1
183.13884	29.0
189.07668	7.9
189.12888	1.2
197.15515	2.0
203.14395	1.6
205.15823	1.2
207.13876	2.4
209.11780	2.9
221.15419	3.1
225.14932	1.6
227.12865	35.9
228.13257	1.3
231.13919	1.9
233.11696	2.4
249.15027	1.2
251.12860	8.4
263.12775	1.4
265.14386	3.5
269.13907	5.3
275.12827	4.5
291.19650	1.4
293.13940	28.5
295.02386	1.8
311.15002	1.9
341.06461	2.8
371.17105	16.9
442.33710	1.1
457.33539	1.0
460.38342	1.1
469.24399	7.5
501.32394	3.0
503.33685	2.7
561.28455	10.6
585.52344	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	561.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00261	0.5
55.01882	0.5
57.03463	1.0
59.01379	8.3
59.50368	0.5
60.99304	15.7
61.98829	6.4
71.01373	4.8
72.99318	0.6
73.02951	0.9
75.00844	0.6
83.01386	1.1
85.02943	1.6
87.00886	0.9
88.58302	0.6
88.98806	100.0
89.02441	3.5
97.02921	0.7
98.19881	1.4
99.04549	1.4
101.02428	3.1
109.02956	0.8
111.00930	0.5
113.02443	1.9
114.14087	0.5
115.00346	0.6
117.03433	0.8
119.03504	2.0
119.05012	1.0
121.02944	1.1
125.02469	3.5
129.01950	0.6
133.02933	1.8
135.04567	1.2
137.02455	0.6
140.91183	0.5
143.03506	0.8
145.02969	1.8
151.00349	1.2
160.01605	1.2
161.02467	4.0
161.04585	0.6
169.01407	2.4
175.04001	2.0
178.99815	0.6
179.03542	0.7
179.05652	0.8
193.05028	1.2
240.04204	0.9
255.02988	1.1
271.02441	2.6
279.02823	0.6
281.03918	0.6
283.06039	4.0
286.91083	0.6
295.08459	0.9
300.02750	5.3
301.03543	2.2
331.06836	1.1
399.23410	0.6
417.25406	0.5
463.08899	4.5
464.09338	0.5
471.12930	0.7
517.08917	0.9
561.15393	0.8
561.22028	2.8
561.29944	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	561.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05107	1.0
59.01378	9.5
66.90591	0.9
69.46653	5.8
69.47064	1.8
71.01376	4.5
73.02958	2.2
85.02923	1.9
89.02451	4.8
93.03437	2.3
96.96002	1.9
101.02444	2.4
108.02174	1.2
113.02414	1.1
115.98662	0.9
119.03534	1.8
120.55686	0.9
121.02953	6.1
122.03742	3.0
125.51238	1.0
133.02905	1.3
136.01666	78.0
137.02405	3.3
145.02957	1.7
148.52597	1.0
149.04584	6.6
151.04008	100.0
152.04298	2.0
160.05203	2.1
161.13280	1.0
162.01938	0.9
163.03993	1.5
175.07619	1.1
179.03629	1.1
191.05629	3.7
193.72620	1.1
198.02386	1.0
205.12360	2.2
249.11308	3.4
311.54117	1.0
317.65710	1.1
329.38077	1.0
342.11069	4.8
346.09473	1.1
357.13425	95.0
358.13809	6.1
429.17294	3.4
498.16934	1.8
554.57971	1.1
561.07367	1.3
561.21338	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	559.3274
Annotation	23,24-Dihydrocucurbitacin B
Peak:m/z	Relative Intensity
59.01378	100.0
64.01070	0.6
71.05027	1.5
73.95116	0.6
76.37762	0.6
92.42803	0.6
98.20659	1.6
101.24616	0.6
116.93792	0.6
127.72092	0.7
169.81819	0.7
176.32378	0.6
214.54189	0.6
220.34178	0.6
228.40668	0.6
260.16238	0.7
307.14819	0.7
377.28510	1.6
393.31714	3.5
407.29514	1.5
419.29504	2.8
425.30453	1.1
437.30548	5.1
455.31616	38.7
456.31992	2.7
481.29715	0.8
499.30624	25.9
500.30914	1.3
502.42545	0.7
559.32709	50.5
560.33398	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	559.3634
Annotation	Hippuristerone K
Peak:m/z	Relative Intensity
51.91585	1.2
59.01378	90.0
71.52277	3.0
73.50410	1.5
78.95898	7.0
80.96497	1.8
82.96092	2.6
99.85804	1.4
116.43526	1.3
137.02441	3.4
164.90686	1.4
179.89172	3.3
196.89488	1.7
219.61456	1.5
220.37407	1.5
234.12540	1.7
264.01779	1.3
293.07895	1.4
299.66415	1.5
314.88055	1.6
393.31540	5.2
393.60995	1.5
411.32782	1.5
423.32614	2.2
559.29309	5.5
559.36371	100.0
560.36389	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	560.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28567	2.6
54.57881	2.6
61.98824	10.2
71.01393	3.8
72.80935	2.9
83.60343	3.1
95.01392	3.3
96.96004	7.8
106.42100	3.2
123.00854	3.2
125.02449	7.1
135.04463	3.4
137.02379	2.6
145.02956	11.4
147.04575	5.0
157.02925	3.8
161.02382	8.6
162.19293	3.3
163.04015	8.7
173.02444	9.1
175.03957	7.4
177.01895	6.8
189.01932	12.0
190.02641	8.8
191.03481	22.3
201.01909	7.7
203.03543	7.5
217.01439	14.3
219.02939	12.6
221.00906	4.0
229.01476	15.1
229.35185	3.4
235.02489	7.7
239.65848	2.9
245.00816	21.4
247.02469	65.6
261.00296	7.2
263.01990	5.8
270.98914	14.2
273.00348	34.7
289.03403	3.1
289.07071	4.2
291.01447	9.5
298.98343	20.1
300.99811	23.3
333.02527	6.5
393.04739	3.2
425.06717	5.7
435.05817	5.4
451.05356	5.7
453.06821	36.9
473.62772	3.1
479.04599	100.0
480.04532	4.0
497.05914	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	560.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80506	0.3
54.28864	0.3
59.01376	3.1
61.98830	100.0
69.27984	2.6
71.01385	1.5
71.87124	0.3
73.02931	0.4
77.65594	0.3
78.95915	0.9
85.02958	0.7
87.00908	0.6
89.02448	0.8
96.96008	3.1
96.96973	1.0
99.04521	0.4
101.02481	0.8
113.02464	0.7
115.00331	0.4
117.03489	0.3
119.05079	0.4
123.00872	0.4
125.02479	0.9
133.03000	0.6
134.03719	0.5
137.02481	0.4
142.67429	0.3
145.02972	1.1
160.01649	0.8
161.02455	1.8
161.04547	0.4
161.06326	0.3
163.03961	0.3
165.44447	0.3
169.01472	1.1
175.02512	1.5
175.04059	1.1
191.05743	0.3
193.05235	0.5
235.06032	0.5
242.01846	0.4
243.02782	0.3
255.03125	0.5
270.01611	0.4
271.02441	1.1
272.02863	1.1
300.02859	0.8
301.03284	1.0
337.09164	0.4
397.08865	0.4
419.48959	0.4
443.23431	0.3
450.17477	0.3
497.19943	1.8
560.14471	2.1
560.31866	0.4
561.25043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.2
61.02610	1.5
61.98829	16.6
66.74221	1.9
77.47682	1.6
80.54998	1.5
81.03442	1.8
95.01379	2.7
97.02949	2.0
107.01384	5.0
111.00909	2.4
123.00880	10.1
125.02447	40.0
139.00323	3.3
140.01128	3.0
151.00334	10.7
153.01865	3.3
160.31339	1.7
166.06361	15.1
168.00615	5.2
169.01414	50.2
170.01730	1.8
181.01395	3.2
181.08699	4.2
183.99413	1.5
211.63342	1.7
221.39517	1.6
229.26425	1.6
271.05618	1.8
300.99866	5.3
313.05646	13.1
338.62985	1.8
361.19571	2.0
410.78394	2.0
495.15103	100.0
496.15326	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	558.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52868	1.1
76.00944	0.7
78.95906	19.7
94.65484	0.7
110.05389	0.7
152.99603	2.6
168.04358	3.5
224.06912	7.6
242.07961	2.1
283.26407	100.0
284.26779	3.7
313.68021	0.8
508.34048	68.7
509.34241	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	559.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94228	0.5
54.53774	0.5
56.24027	0.5
56.73698	0.5
56.82786	0.4
61.98835	0.5
65.03954	0.7
70.22606	0.5
71.52712	0.5
71.53090	0.6
93.03457	71.0
94.03819	1.2
115.92078	0.6
137.02444	100.0
138.02783	1.9
141.01321	0.4
162.20525	0.5
253.04018	0.5
277.21701	1.3
283.83450	0.5
362.12698	0.5
405.39499	0.5
410.98099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98829	100.0
69.27927	0.3
69.28336	0.7
78.95902	0.6
84.82095	0.1
91.05091	0.1
98.20650	0.2
103.12227	0.1
152.99631	0.4
156.95714	0.1
163.40146	0.1
224.00052	0.1
255.23303	1.6
256.23590	0.7
257.24014	0.4
258.24332	0.2
349.76395	0.1
442.71497	0.1
480.30957	1.2
481.31564	0.2
482.31839	0.2
483.32129	0.5
557.32416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3249
Annotation	CHEMBL1834807
Peak:m/z	Relative Intensity
59.01360	4.3
61.55666	1.1
61.98832	6.9
66.99039	1.3
69.21049	3.4
69.21456	9.3
72.73595	1.3
108.84196	1.3
139.81546	1.1
160.13922	1.3
163.47217	1.2
296.68613	1.2
441.33890	3.0
459.34250	1.6
485.32611	1.7
521.34778	19.6
522.34949	1.8
557.32446	100.0
558.32751	8.5
560.88483	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	557.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98810	30.7
69.69581	50.4
69.70000	100.0
72.75718	27.8
78.30605	23.5
95.53709	23.1
163.01756	22.6
229.79480	24.7
258.51453	25.2
285.02368	28.1
314.08722	26.4
425.21762	34.6
441.34714	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
59.01111	2.9
59.01377	41.4
61.98830	10.2
63.63919	1.7
69.03464	2.8
71.01373	7.2
71.53691	2.1
73.02930	5.4
75.00861	2.6
79.01984	1.7
79.35079	1.7
83.01373	2.4
89.02440	3.3
96.95998	9.0
101.02435	5.2
104.73841	2.0
107.01385	12.6
113.02409	3.0
116.92809	4.3
118.80605	1.8
123.00923	10.3
123.04437	2.0
124.01602	2.9
125.02441	65.8
125.55350	2.0
136.01669	2.5
137.02420	2.9
139.00378	3.3
139.11270	11.7
151.00349	4.6
168.00560	2.5
169.01416	100.0
170.01637	3.0
175.03850	2.0
181.12332	9.8
183.10249	23.8
187.69627	1.9
193.01543	1.9
195.06693	2.3
199.13333	6.5
211.02307	2.9
225.11287	11.7
243.12355	60.0
247.02145	2.1
247.93127	2.0
285.13419	23.7
315.14349	4.2
345.15543	27.7
387.16391	3.7
395.13324	5.0
405.17606	58.6
406.18158	4.0
474.78845	1.9
491.19470	1.9
497.16360	2.8
513.19159	2.1
517.28491	2.0
522.07477	2.0
557.18756	60.2
558.19171	3.9
584.04694	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	557.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.03445	3.1
58.00594	1.6
59.01377	100.0
61.98829	18.3
69.03456	1.8
71.00962	1.6
71.01373	10.2
71.05037	1.3
72.99312	3.1
73.02946	3.0
75.00891	1.4
83.01366	3.8
85.02943	9.3
86.00114	1.1
86.27795	0.6
86.28338	0.5
87.00903	0.6
89.02451	3.1
93.03451	10.2
96.96009	0.6
99.00903	1.8
99.04549	0.7
101.02432	20.4
108.38388	0.6
113.02466	2.7
113.31824	0.6
119.03500	1.7
119.04982	0.7
123.00918	1.0
125.02448	3.5
131.03499	39.9
133.02959	1.2
137.02443	24.0
139.11314	3.0
145.02988	0.9
153.01942	0.6
161.02460	3.0
161.04604	1.7
165.12860	2.1
169.01447	3.6
172.94664	0.6
179.05637	1.7
183.10252	14.0
183.11874	0.9
183.13934	2.5
200.04704	0.6
201.11424	0.7
225.11398	0.7
227.12845	0.8
241.73201	0.6
257.08389	1.0
313.05765	1.3
331.17657	1.5
335.22168	3.1
419.13641	1.6
439.32141	1.1
457.33279	1.1
459.35397	0.7
494.21164	3.1
519.33417	2.6
521.34265	1.2
557.13116	1.5
557.29901	8.5
557.38696	5.8
558.30432	1.3
558.38892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14780	0.5
56.71981	0.5
61.98829	100.0
70.85999	1.4
71.23572	0.5
125.85940	0.6
302.42563	0.6
430.38333	0.6
471.34769	8.6
556.32501	50.8
557.32745	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	557.179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03672	12.0
59.01365	65.7
60.98980	15.3
69.40624	100.0
71.01360	52.3
89.02448	78.4
101.02431	18.9
105.65337	14.9
119.03477	42.7
125.02419	33.9
128.59193	13.8
135.02982	14.8
169.01416	55.5
179.05655	33.1
213.15773	16.6
283.09766	29.6
311.09192	50.9
326.11545	58.0
341.13806	86.4
401.60675	15.1
432.49707	13.5
557.18286	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	557.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
59.01111	2.9
59.01377	41.4
61.98830	10.2
63.63919	1.7
69.03464	2.8
71.01373	7.2
71.53691	2.1
73.02930	5.4
75.00861	2.6
79.01984	1.7
79.35079	1.7
83.01373	2.4
89.02440	3.3
96.95998	9.0
101.02435	5.2
104.73841	2.0
107.01385	12.6
113.02409	3.0
116.92809	4.3
118.80605	1.8
123.00923	10.3
123.04437	2.0
124.01602	2.9
125.02441	65.8
125.55350	2.0
136.01669	2.5
137.02420	2.9
139.00378	3.3
139.11270	11.7
151.00349	4.6
168.00560	2.5
169.01416	100.0
170.01637	3.0
175.03850	2.0
181.12332	9.8
183.10249	23.8
187.69627	1.9
193.01543	1.9
195.06693	2.3
199.13333	6.5
211.02307	2.9
225.11287	11.7
243.12355	60.0
247.02145	2.1
247.93127	2.0
285.13419	23.7
315.14349	4.2
345.15543	27.7
387.16391	3.7
395.13324	5.0
405.17606	58.6
406.18158	4.0
474.78845	1.9
491.19470	1.9
497.16360	2.8
513.19159	2.1
517.28491	2.0
522.07477	2.0
557.18756	60.2
558.19171	3.9
584.04694	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	556.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65075	0.5
59.01372	2.0
61.98830	100.0
69.30660	3.8
69.31082	1.7
71.01379	1.1
75.13838	0.5
89.02484	0.6
91.08724	0.6
101.02448	1.1
113.02440	0.7
114.92102	0.6
117.03481	0.8
125.02451	1.2
132.02156	0.8
133.02950	18.8
133.95831	0.6
134.03702	0.9
135.04521	5.6
137.02440	0.7
161.02440	74.6
162.02779	2.1
169.01424	2.0
179.03470	3.9
438.40112	0.8
440.84454	0.7
463.17896	0.6
493.20770	75.3
494.21228	5.4
557.13092	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	556.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
59.48230	0.6
61.98830	100.0
69.28463	6.3
71.01389	1.5
83.61192	0.7
89.02457	0.8
93.03442	4.1
94.03844	1.2
98.19805	1.2
101.02470	1.3
107.01416	0.9
121.02940	1.1
123.00896	0.7
125.02454	4.7
126.02781	0.8
133.02948	10.7
134.03722	0.6
135.04523	3.6
137.02408	5.7
138.02850	1.4
158.39940	0.7
161.02438	43.6
162.02800	1.2
169.01431	6.3
170.01764	2.6
179.03491	2.6
200.54387	0.7
225.05481	0.9
226.06001	0.8
241.08379	0.8
251.24623	0.8
256.07205	0.9
257.07904	1.2
271.09857	3.2
272.10049	3.5
418.08615	2.9
493.20779	49.1
494.21146	3.7
511.45627	0.8
526.21594	1.6
556.11517	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	556.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07276	0.5
59.01381	1.3
60.95392	0.5
61.98816	3.5
66.69482	0.5
69.70836	0.5
72.52660	0.8
78.95902	20.0
80.96520	4.1
88.55355	0.6
94.98091	0.7
97.66888	0.6
98.20773	0.9
125.02281	0.6
152.99579	2.9
164.98598	1.0
168.04311	2.9
224.06909	7.8
225.00587	0.8
229.41499	0.8
242.07977	1.3
281.24832	100.0
282.25214	4.2
337.73413	0.6
482.15567	0.8
506.32443	63.4
507.32806	3.9
524.85394	0.6
556.28766	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	556.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
68.22880	0.4
98.20770	1.0
125.09660	0.7
190.54420	0.5
214.48466	0.4
279.23334	0.7
471.34790	14.2
472.35043	1.1
546.92767	0.5
556.32526	86.5
557.33008	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	555.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57461	1.6
61.98835	14.9
74.51311	1.5
97.33779	1.5
98.19776	2.9
134.58189	1.6
141.57005	1.5
168.25165	1.6
206.52486	1.5
229.24554	1.8
336.28857	2.0
439.32388	2.1
519.33270	12.1
519.97656	2.1
520.05615	1.9
549.70667	2.2
555.30902	100.0
556.31396	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	555.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74596	2.2
52.37977	2.2
55.32890	2.7
59.01378	100.0
61.98830	40.3
63.25059	2.0
68.27321	1.9
69.30730	5.1
69.31133	14.4
71.03568	2.1
71.48859	2.5
73.77458	2.5
98.19925	4.3
148.00873	2.8
150.78603	2.3
226.11488	2.4
252.39589	2.3
333.20770	3.9
457.33459	7.0
493.31738	2.8
495.36752	2.9
501.32275	7.6
519.33228	4.0
525.84131	2.5
555.30890	94.3
556.31281	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	556.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59493	0.6
58.46655	0.6
58.97266	0.7
59.01366	1.4
61.68704	0.6
61.98829	100.0
69.31861	1.4
69.32250	5.3
71.01385	1.7
79.43877	0.7
96.96066	0.9
99.11869	0.6
101.02459	0.7
113.02483	0.8
123.04523	0.9
133.02960	13.8
135.04543	8.6
137.02493	1.7
150.03232	1.1
161.02441	54.7
162.02808	1.2
169.01518	0.9
177.04126	1.7
179.03528	7.0
195.06644	0.7
233.26860	0.6
242.85287	0.6
315.06561	0.7
339.07092	0.8
419.04938	0.8
493.20786	54.5
494.21252	4.5
550.22339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2841
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
57.40054	0.6
58.77322	0.5
59.01344	0.6
59.73017	0.5
61.98806	0.6
63.96243	0.7
64.88729	0.5
69.40405	4.3
71.01387	6.2
73.02928	1.5
78.98589	6.0
79.95738	8.5
80.96518	61.9
81.03452	1.0
85.02946	2.4
87.00873	2.1
94.98087	14.6
96.96000	1.1
97.02959	1.0
101.02448	2.0
106.98080	2.4
122.97565	2.9
125.02440	2.4
127.03987	0.9
134.97589	3.8
136.99153	1.7
143.03528	0.6
146.97618	0.7
148.99133	5.2
152.98627	6.2
164.98642	10.1
206.99718	1.7
225.00746	15.2
255.23396	1.5
299.04391	2.4
555.28412	100.0
556.28790	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	555.309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60478	1.1
59.01357	3.3
61.98532	2.2
61.98832	24.7
69.26289	1.3
69.52633	7.9
71.05013	1.8
72.99271	1.5
73.52551	1.4
78.36489	1.4
82.56908	1.4
87.83873	1.2
89.48116	1.1
90.00364	1.1
92.81709	1.2
123.31487	1.2
127.81188	1.4
141.83496	1.3
144.62486	1.2
179.55460	1.4
219.55063	1.3
326.46277	1.6
356.87402	1.6
388.19171	1.4
437.30582	2.6
457.33527	1.5
483.31027	1.6
519.33191	18.7
555.30853	100.0
556.31598	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	555.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.6
60.07175	1.3
61.03206	1.4
61.98833	21.8
68.17557	1.5
69.38242	13.2
71.01383	2.7
75.00873	2.1
77.03965	1.4
87.19832	1.3
88.98772	8.1
90.89233	1.5
93.03471	5.0
96.26535	1.7
98.19901	3.2
105.03375	1.6
108.02129	1.9
109.02924	3.6
115.43180	1.3
115.54601	1.4
115.92019	1.6
116.92860	9.2
121.02927	8.4
122.03748	13.5
123.04473	1.9
125.02393	2.7
133.02924	5.2
134.03760	2.9
135.02962	2.1
135.04489	6.5
136.01636	1.6
137.02426	3.2
139.04002	2.4
146.03551	2.0
147.04489	1.7
149.01299	3.3
149.02435	59.5
149.03624	2.9
149.06021	2.8
150.03220	86.7
151.03886	2.0
158.28925	1.4
160.05246	3.6
161.02490	8.5
161.06049	2.8
163.03961	5.8
164.04764	12.0
165.05557	74.5
166.06111	2.3
167.16086	1.5
175.07654	3.1
177.05545	2.1
179.03462	4.5
179.07069	3.3
180.04269	3.2
195.06619	46.5
207.06622	5.1
240.04190	2.2
241.08719	2.8
269.08228	3.6
269.11707	2.2
281.08078	1.9
283.09573	2.0
295.06219	2.8
297.11371	7.3
299.09293	3.3
300.09778	2.0
310.08081	1.6
311.09232	5.1
311.12579	2.2
313.10760	3.2
314.11371	5.1
315.12396	4.4
325.10675	4.3
329.13849	22.7
341.13779	6.1
343.11844	2.0
344.12567	1.6
419.14194	1.8
431.14850	4.3
433.16382	3.7
444.37326	1.7
462.17059	2.3
477.19138	19.1
478.19135	1.7
492.18060	1.9
507.20224	100.0
508.20746	8.1
537.20453	2.0
555.21881	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	555.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.1
61.98537	1.8
61.98836	19.6
67.92789	1.3
69.25730	12.0
69.26126	2.6
71.01395	1.6
93.03467	4.4
109.02954	2.2
121.02959	8.3
122.03729	15.4
123.00939	1.6
123.04477	1.4
125.02530	2.8
133.02963	5.0
134.03737	1.3
135.04544	5.0
137.02467	1.6
149.02441	21.5
150.03220	100.0
151.03487	1.7
159.04475	1.7
160.05298	1.7
161.02461	10.6
163.04044	4.1
164.04752	7.8
165.05559	97.9
166.06294	5.2
169.01450	3.3
177.05481	2.1
179.03442	2.1
180.04245	5.3
181.08691	2.5
192.04320	2.0
195.04829	3.3
195.06624	66.6
196.06961	1.7
207.06502	3.8
237.07712	2.5
240.04326	3.3
267.06396	2.9
269.08185	4.1
295.06168	4.6
297.11270	1.5
298.08331	3.3
299.09128	2.1
310.08597	2.8
311.09213	2.5
313.10956	6.6
314.11594	5.7
325.10678	6.0
326.11505	2.5
329.13916	21.4
334.73328	1.4
341.13922	9.7
343.11920	5.1
373.12521	2.9
477.19186	4.2
493.21048	9.0
507.20114	13.7
511.36133	5.0
525.21118	5.4
537.21436	2.6
555.22333	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	555.2774
Annotation	Artocommunol CB
Peak:m/z	Relative Intensity
61.98827	9.3
64.45294	0.6
70.84668	1.5
72.03839	0.7
72.67099	0.7
99.92581	20.2
99.93179	1.4
100.93378	5.3
103.18152	0.8
115.92075	100.0
116.92096	2.5
116.92857	2.9
166.88751	0.8
227.96855	0.7
299.72809	0.8
455.35135	2.1
457.35739	1.0
540.25555	0.9
555.27789	73.3
556.28204	8.3
569.25531	3.0
580.57483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
59.01369	1.6
61.98829	4.7
69.03465	0.4
71.01373	0.5
71.05016	21.1
71.74812	0.3
73.02973	0.5
75.74747	0.3
83.01379	1.7
88.98798	0.3
89.02426	0.5
95.05028	3.6
97.02949	7.9
101.02422	0.3
109.02926	0.4
113.02452	0.3
115.03999	0.5
119.05024	0.3
121.02917	0.5
122.03708	0.3
125.02437	0.5
133.02893	0.3
135.04526	0.5
137.02467	0.8
139.04010	100.0
140.04362	2.1
149.02429	0.4
150.03227	0.5
153.05573	0.5
161.02441	0.8
163.04004	3.2
165.01938	2.3
165.05562	0.7
165.12852	0.9
167.03526	0.6
183.02980	23.6
183.13930	3.2
184.03319	0.4
195.06619	0.3
205.04996	0.8
207.02977	1.2
227.12846	1.6
229.49710	0.4
251.12848	0.7
259.48892	0.3
269.14114	0.3
273.07532	0.4
293.13950	1.3
371.16956	0.7
458.14688	0.4
493.20792	0.6
511.21729	0.5
537.19794	1.5
555.20734	18.5
556.21088	1.1
581.31982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75335	1.2
59.01390	6.1
60.62679	1.1
61.27244	1.1
61.98832	5.5
65.18142	1.1
71.01376	2.3
71.52999	1.7
75.00870	2.0
83.01402	1.5
89.02454	2.5
95.01403	1.6
96.95979	1.3
101.02448	1.8
108.02203	1.7
109.02924	1.4
122.03768	1.4
123.00887	1.7
123.04514	1.3
125.02451	5.9
134.03734	17.9
135.04488	2.3
137.02440	14.2
145.02948	2.1
146.03754	23.0
147.04500	2.0
149.06088	22.0
150.03230	11.2
151.03973	5.2
153.05566	2.5
161.06056	12.1
162.03175	3.6
163.04016	2.0
164.04770	14.5
165.05537	12.1
168.00601	1.2
169.01442	5.6
177.04039	1.6
177.05455	2.3
179.07138	100.0
180.04228	2.1
180.07561	2.1
181.05074	21.6
182.05835	93.6
183.06328	2.1
195.04861	2.3
195.06610	32.4
196.07356	8.8
197.08183	73.2
198.08459	1.3
199.09785	1.4
208.07271	1.8
211.02451	3.3
237.09271	1.3
251.09209	13.0
259.22992	1.2
269.10342	3.1
271.04553	4.5
287.24396	1.1
289.16537	1.4
331.06476	1.8
344.71454	1.1
345.13406	9.5
350.04425	1.2
357.13290	3.3
371.19943	1.4
375.14511	7.9
393.15463	26.1
451.13028	1.2
496.61813	1.1
555.11426	1.5
555.20575	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	555.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75786	0.4
59.01378	13.8
61.98830	34.4
62.64062	0.6
65.00314	0.6
67.01895	1.1
69.03454	1.7
71.01385	3.4
71.05014	0.5
71.53430	0.5
71.53882	0.6
72.99296	0.7
73.02954	1.2
75.00881	0.6
79.01887	1.5
80.96525	1.0
81.03474	0.8
83.01396	0.9
85.02950	1.8
87.00899	1.0
89.02451	1.0
93.03459	47.0
94.03795	0.7
95.01389	2.2
96.35493	0.5
97.02965	2.2
99.00887	0.8
101.02453	2.6
107.01390	17.9
107.05044	0.8
108.02217	0.7
109.02940	2.7
111.00883	0.9
113.02453	1.1
113.99639	0.5
116.92834	0.9
119.05018	2.3
120.25719	0.5
121.02950	12.5
123.00889	7.0
124.82426	0.6
125.02445	68.2
126.02746	1.2
127.00256	0.5
133.02972	3.8
134.03784	1.0
135.02994	1.0
135.04530	5.6
136.01659	2.1
137.02444	82.2
138.02824	0.9
139.00375	2.9
139.04027	1.0
140.01195	1.0
141.01862	1.0
147.04498	2.0
149.02457	1.7
150.03233	0.6
151.00337	4.4
151.03978	2.0
153.01895	3.1
158.21365	0.5
160.01578	0.6
161.02441	10.3
161.04483	0.7
162.02881	0.8
163.03905	0.8
165.01913	0.5
165.05557	1.2
165.12862	1.1
166.06314	0.6
168.00620	1.7
169.01419	100.0
170.01778	2.3
173.04630	0.6
174.01653	2.3
174.03067	0.7
175.04036	1.6
177.02002	0.7
178.02647	0.6
179.03487	3.9
179.05641	0.8
183.13914	2.1
191.03520	0.7
191.07132	0.6
191.56827	0.5
195.03004	0.6
195.04599	0.6
197.06049	1.5
206.29213	0.5
213.05553	3.6
214.53590	0.5
217.71754	0.6
225.05560	8.5
226.06308	1.8
227.07138	1.8
227.12877	1.9
240.04297	0.8
240.07924	6.8
241.05020	6.2
241.08580	0.9
242.05396	0.5
255.06587	1.4
256.07370	11.5
257.08029	0.7
271.09744	26.3
272.10159	1.4
281.06473	0.6
285.03879	0.6
295.04507	2.4
327.10889	0.9
337.09396	0.7
343.11954	0.9
397.96683	0.5
403.10272	2.3
417.08243	60.6
418.08582	4.6
433.07602	2.2
457.33456	0.9
458.14435	2.0
493.20801	6.4
495.25974	2.9
519.33276	1.1
525.21362	4.3
537.23248	1.3
555.11444	20.7
555.29541	1.8
556.11646	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	554.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43230	0.5
59.01378	21.4
60.01712	2.6
61.01801	1.5
61.98828	100.0
68.74432	0.4
69.20307	1.5
69.20730	3.3
70.41162	0.4
79.95727	0.7
93.15171	0.4
100.37096	0.5
101.11133	0.4
125.02484	1.1
135.04524	0.7
158.19612	0.5
159.65945	0.5
169.01434	1.4
213.62126	0.5
414.50113	0.5
475.19165	0.5
483.31244	0.6
501.32227	5.5
519.33765	1.0
554.22510	0.8
554.35376	0.9
555.24622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78257	0.6
59.01376	11.4
60.01722	1.0
61.01806	0.7
61.98829	100.0
63.99267	0.8
69.43352	4.3
75.58630	0.5
79.95729	1.0
96.95987	1.0
98.20689	1.2
131.03558	1.1
160.45625	0.6
162.20323	0.5
172.60474	0.6
196.60162	0.5
373.25256	0.6
489.31769	0.9
519.33240	0.7
542.86554	0.6
554.29968	1.8
555.30475	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	554.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.0
60.01717	2.0
61.01836	1.1
61.31268	0.6
61.98832	100.0
63.99249	0.6
71.05018	0.6
71.53112	0.9
91.24300	0.5
96.96014	0.7
102.03757	0.6
109.31426	0.5
125.02450	0.7
127.10721	0.6
168.00609	1.1
171.51863	0.6
175.77908	0.6
191.05618	0.7
217.28633	0.7
229.00702	0.7
250.35452	0.6
310.22626	0.6
518.32208	1.1
519.33197	0.9
554.28595	0.8
555.21252	1.0
555.30090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37641	0.3
50.67342	0.3
59.01380	21.8
61.98809	0.7
74.33961	0.2
74.73246	0.2
78.15060	0.3
78.95906	17.7
80.96507	0.4
98.19832	0.4
100.93379	0.3
111.86637	0.3
115.68021	0.3
115.82780	0.3
122.98467	0.4
152.99564	3.0
168.04303	2.4
177.12064	0.3
224.06900	7.1
229.46486	0.3
236.02014	0.2
242.07999	1.2
255.23280	100.0
256.23618	3.6
366.19614	0.3
378.38019	0.3
391.22586	0.3
425.19788	0.3
480.30930	61.4
481.31314	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80682	0.5
53.56774	0.6
59.01379	100.0
60.01715	2.4
60.06296	0.5
61.01816	0.8
61.98830	30.9
65.86836	0.5
69.29657	4.5
71.01393	0.7
71.05033	0.7
122.77811	0.5
125.02403	1.1
149.57101	0.5
151.92896	0.5
165.22708	0.5
169.01494	0.7
236.05690	0.7
287.18347	0.5
355.46524	0.5
413.30887	0.7
441.07965	0.6
448.45139	0.6
457.33426	0.9
475.34177	1.2
493.35391	1.2
499.31046	0.7
517.32001	2.5
553.09485	1.0
553.26575	1.1
553.37158	0.8
579.22675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.4
61.98829	100.0
69.30048	1.8
75.00876	0.2
87.00847	0.2
91.50510	0.2
98.19894	0.3
121.02871	0.3
133.02979	0.6
135.04547	0.4
137.02292	0.3
149.02441	0.2
150.03206	0.6
161.02448	1.4
165.05563	0.6
166.06004	0.3
287.26227	0.2
491.18814	1.3
506.19180	0.9
529.99249	0.3
554.23541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29518	0.2
59.01379	5.9
60.01704	0.5
61.98830	100.0
70.33482	0.2
71.01370	0.4
71.52880	0.3
72.09369	0.2
79.06522	0.2
79.95719	0.3
87.41618	0.2
96.96048	0.4
106.90537	0.2
122.74926	0.3
153.32848	0.2
190.36247	0.3
192.07297	0.2
223.91714	0.2
224.54552	0.2
303.38672	0.2
359.84415	0.3
483.11911	0.2
497.50995	0.2
519.33301	0.5
554.30096	0.4
555.30048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98827	2.4
73.37589	0.4
78.31258	0.5
78.95901	19.9
80.96506	0.9
86.67640	0.4
101.00039	0.4
112.65196	0.5
115.11235	0.4
151.17068	0.5
152.99582	3.2
168.04350	3.5
224.06898	8.0
242.07988	1.9
279.23270	100.0
280.23648	4.8
383.45483	0.5
471.34668	1.1
472.35089	3.6
504.30948	67.3
505.31332	3.8
554.35291	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	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64558	0.4
55.90568	0.4
58.09420	0.4
59.01379	2.3
61.98831	7.0
70.17169	1.5
72.17656	0.4
78.95905	5.8
80.30696	0.4
82.45612	0.4
98.83747	0.4
142.32053	0.4
152.61049	0.4
152.99571	1.3
168.04301	1.3
214.31001	0.4
224.07013	0.9
242.07985	2.4
264.54752	0.4
279.23282	100.0
280.23624	3.7
289.44485	0.4
504.30957	31.0
505.31293	1.9
554.30225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	59.6
60.01699	1.9
61.98830	100.0
71.53240	1.8
87.64938	1.3
96.96001	3.6
125.02454	1.9
175.74454	1.7
188.56978	1.6
222.89281	1.8
251.03862	1.5
455.31400	2.5
493.34769	4.3
517.31665	6.8
553.09790	1.8
553.28961	28.4
554.29486	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	553.374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98832	1.7
66.94124	0.4
68.00020	0.4
98.20779	0.8
123.00951	0.9
125.02477	1.2
135.04501	0.7
142.60172	0.5
161.02473	0.8
169.01457	1.9
178.46609	0.4
179.03549	0.6
293.58792	0.5
299.47910	0.5
352.88278	0.5
475.34912	0.5
493.35678	2.1
553.22894	1.6
553.37451	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	553.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36110	0.3
57.03436	0.6
59.01378	100.0
60.01722	0.4
61.98829	11.8
68.97871	0.4
71.01393	0.9
71.05012	0.4
72.00880	0.4
72.99304	0.5
73.02908	0.6
73.04043	1.4
75.00871	0.5
82.64357	0.4
83.05014	0.4
85.02940	0.9
85.33777	0.4
88.98825	0.6
93.03467	0.6
96.95990	0.6
101.02420	1.0
101.03801	0.4
106.51378	0.5
107.01380	0.9
109.02919	0.6
111.00871	0.5
113.02417	0.5
115.07655	0.6
116.05064	0.4
118.06628	0.5
121.02943	0.5
123.00881	2.0
123.04545	0.4
124.01729	0.4
125.02458	3.9
129.10321	1.7
135.04541	2.3
136.98767	0.6
137.02419	1.2
139.00331	0.8
140.01195	0.8
145.02921	0.8
146.03752	0.7
146.06100	0.4
147.04552	1.9
151.00357	2.1
161.02390	1.7
161.05992	0.4
164.04834	0.6
164.07169	3.3
165.01895	0.4
165.12845	0.9
166.13243	0.5
168.00629	0.9
168.11420	2.0
169.01430	4.8
171.11400	3.5
175.03998	0.4
179.03477	1.1
179.07104	1.1
180.07405	0.4
181.05034	0.5
186.05560	1.1
186.12463	9.0
210.12355	1.2
214.09760	0.4
215.08118	0.8
216.06644	0.9
227.12889	0.6
228.13393	1.7
250.12291	0.5
287.05692	1.2
293.13934	0.4
294.14218	0.4
298.98343	0.4
299.99139	0.6
300.99680	0.8
311.13971	0.7
359.25824	1.3
371.06088	1.2
493.35428	5.6
509.20264	9.6
510.20493	0.7
517.24420	0.4
517.31628	1.1
523.25555	8.4
535.25775	1.3
553.09698	3.5
553.26587	9.7
553.34863	1.7
554.26788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
58.00572	3.2
59.01379	85.3
69.53148	14.8
71.01382	83.4
71.21842	3.0
72.99287	5.0
73.02934	19.0
73.30740	2.9
75.00854	7.5
83.01378	6.4
83.42746	3.0
85.02948	29.5
87.00905	6.7
89.02444	73.6
95.01382	9.7
95.12336	3.2
99.00871	6.3
101.02433	64.7
113.02459	32.7
119.03487	34.3
125.02413	11.6
129.01935	3.7
131.03523	7.5
135.02948	4.7
139.00334	3.6
143.03505	8.7
149.04468	4.8
150.03210	10.1
161.02396	5.2
161.04517	27.6
161.05806	3.5
161.06303	2.8
165.04164	4.7
165.05553	11.3
169.01434	6.0
179.03336	5.4
179.03761	4.5
179.05617	87.5
179.07068	5.8
180.04260	6.9
193.05052	3.5
195.05017	3.1
195.06628	15.5
199.35960	2.6
221.06587	16.7
257.14227	2.9
280.59671	3.4
300.99667	4.8
327.16428	2.8
331.17624	9.5
343.11917	6.3
347.09592	3.3
391.13812	15.2
392.53506	3.5
482.91992	3.1
493.22873	100.0
553.20605	18.5
560.40680	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	553.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	95.4
71.01383	100.0
71.53043	7.3
72.99319	6.5
73.02944	22.4
75.00875	11.6
76.31055	5.1
83.01379	9.6
85.02950	40.3
87.00890	10.2
89.02441	84.2
93.63914	4.7
95.01401	17.0
99.92564	6.6
101.02441	69.1
102.23737	5.2
106.33197	4.9
109.80342	4.8
113.02425	32.5
116.92849	56.6
119.03506	36.3
119.71790	4.6
123.00893	17.9
125.02447	42.8
131.03528	5.6
133.03046	6.7
135.03001	5.4
135.04616	5.5
139.00404	7.0
143.03485	9.4
149.02423	9.6
150.03223	33.1
151.04008	12.2
161.02419	10.6
161.04590	26.5
162.03169	5.8
165.05566	27.2
166.99773	9.3
169.01431	61.8
170.01743	9.8
179.04033	8.6
179.05614	87.0
179.07124	14.4
180.04337	11.5
181.12384	6.7
182.56442	5.7
195.06615	32.0
221.06595	21.1
225.11264	7.9
287.15228	5.8
300.99805	18.1
302.00027	8.9
327.32651	6.3
337.06958	5.4
343.11801	23.6
391.13803	40.8
405.17645	7.6
426.65521	6.3
493.22867	68.0
553.21301	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83079	1.4
57.03461	7.2
59.01105	2.4
59.01378	29.2
61.98817	5.4
64.56830	1.5
69.03442	2.8
71.01379	24.5
71.52515	2.1
72.99306	4.1
73.02932	5.3
75.00871	59.4
75.70494	1.5
77.65122	1.7
83.01370	2.5
85.02953	17.8
87.00874	17.1
89.02448	13.3
89.64889	1.7
95.01421	2.4
97.02940	4.3
99.00887	6.7
101.02442	10.7
111.00867	2.8
113.02446	4.7
116.92850	3.9
119.03466	3.4
121.02927	2.4
122.03812	1.7
123.00858	1.7
123.04539	2.0
125.02425	2.6
129.01944	12.4
133.02934	4.4
134.03795	2.1
135.04497	4.3
141.01976	3.4
145.02943	3.3
147.02969	2.1
147.04596	1.8
149.02461	10.9
150.03218	13.2
151.00349	2.0
151.03961	2.9
152.01151	1.8
156.00694	1.9
159.02989	3.7
161.02496	7.3
164.04773	3.7
165.04025	7.1
165.05550	14.4
165.12793	6.1
167.03482	3.4
169.01363	2.6
177.04039	59.7
179.03517	2.8
183.13907	15.5
191.03496	2.4
195.05032	5.7
195.06665	5.4
195.13898	5.8
205.04932	3.1
209.08072	1.9
213.14937	1.9
227.03563	2.6
227.12897	4.7
228.03830	2.7
255.03087	3.0
256.03299	2.7
257.08267	1.9
285.03537	3.5
289.14404	6.0
323.07645	2.4
342.13391	1.8
343.33264	1.8
357.15457	6.9
359.14951	1.6
371.07761	6.7
375.20190	24.3
375.27667	3.8
387.16537	3.2
405.17596	11.2
505.20764	17.6
509.20139	11.3
517.22980	10.9
535.20538	6.1
553.10797	2.6
553.25470	100.0
554.25873	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	553.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87863	6.9
53.82054	6.5
55.01888	9.9
57.03443	6.8
59.01379	100.0
69.17812	11.8
69.18214	62.5
71.01388	89.2
72.99297	13.5
73.02944	26.3
74.08956	7.4
75.00864	22.7
75.17166	7.2
83.01380	13.5
85.02947	32.7
87.00896	15.0
89.02444	76.9
89.27978	8.1
95.01387	18.1
96.96010	13.9
99.00854	14.4
99.92564	7.5
101.02442	78.0
109.02959	12.8
113.02428	38.9
116.92870	81.8
119.03506	33.7
121.02939	14.2
123.00913	21.2
123.04482	9.3
125.02436	43.4
129.01945	8.2
131.03464	9.7
135.03014	14.4
135.04514	12.0
136.05246	7.5
139.00426	11.7
143.03470	9.4
149.02403	19.3
150.03194	65.2
151.04024	17.4
153.01982	7.2
161.02457	11.9
161.04510	22.1
162.81227	6.9
164.04579	9.4
165.04132	16.2
165.05568	77.0
169.01431	54.5
179.03586	10.2
179.05585	65.7
179.07056	14.0
180.04274	7.4
181.05063	16.9
181.12325	15.3
183.10237	10.2
195.06601	61.0
221.06645	14.6
225.11311	26.6
243.12256	14.2
264.59305	7.1
300.99918	25.9
331.17682	11.8
343.11929	38.9
391.13885	71.6
405.17743	9.8
435.22314	7.4
469.68411	8.2
493.23007	60.3
553.21375	61.8
553.29041	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	553.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33829	0.6
51.45636	0.6
54.81211	0.6
58.00571	1.3
59.01380	12.3
60.99296	0.8
61.98822	3.9
69.03445	2.1
71.01368	3.9
72.99307	1.0
73.02940	5.5
76.54823	0.7
77.11233	0.6
83.01385	0.7
85.02955	4.8
86.73512	0.7
87.00873	2.0
88.98801	5.1
89.02422	1.8
93.03461	4.3
95.05000	0.8
101.02445	2.0
108.02186	1.3
109.02959	1.6
121.02952	5.5
122.03735	10.5
123.00897	0.8
123.04530	1.9
132.02188	2.7
133.02956	11.5
134.03745	5.8
135.00836	1.3
135.04561	0.8
136.01649	1.9
137.02454	1.4
145.03001	1.0
146.03761	0.9
147.04480	1.4
148.01617	1.0
149.02434	41.2
149.06071	6.9
150.03221	80.7
151.03696	2.1
152.04744	0.8
153.01898	1.7
161.02408	2.2
163.03946	2.6
164.04794	11.5
165.05559	72.8
166.05847	1.1
169.01375	1.0
177.04100	1.4
177.05557	1.8
178.06314	0.7
180.04301	4.5
181.05054	2.6
181.76184	0.6
183.13911	1.9
184.03606	0.7
193.08659	1.1
195.06616	34.4
196.07480	3.3
197.08160	1.9
211.09737	5.9
225.05634	0.7
225.07674	2.7
229.43495	0.7
233.31656	0.8
301.03595	1.6
313.10580	0.9
342.13199	5.8
343.13806	0.9
344.12616	4.9
345.13284	0.8
357.15506	34.7
358.15979	1.5
359.14966	9.4
360.15338	0.9
393.12079	0.7
405.17654	1.8
463.08752	1.7
505.20767	100.0
506.21054	6.4
542.23389	0.7
553.22571	7.6
553.31207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86395	0.7
59.01380	7.5
61.98823	6.9
68.57222	0.8
69.31036	1.9
69.31443	5.0
71.01382	1.8
75.52777	0.9
87.04514	8.2
93.03465	6.0
101.02514	0.9
104.76291	0.8
105.03399	0.8
108.02171	1.0
109.02966	2.1
112.94213	0.9
114.68522	0.8
121.02958	8.0
122.03740	11.4
123.00806	1.0
123.04533	1.1
124.01697	1.0
125.02444	1.6
133.02974	4.1
135.04504	3.4
136.01654	11.0
137.02443	9.2
146.03676	1.0
149.02429	18.5
150.03218	81.2
151.04025	12.8
153.01866	1.5
161.02454	7.1
162.03267	0.7
164.04782	3.1
165.05562	100.0
166.05919	1.7
168.00688	1.6
175.03990	3.0
179.03554	1.7
180.04291	5.5
187.24554	0.8
189.05484	1.7
190.06342	3.2
191.07239	1.0
195.06613	63.3
196.06927	1.9
239.87810	0.9
269.04529	0.9
281.06781	1.1
299.09293	1.8
327.12302	4.7
343.11691	1.9
357.13397	10.3
445.09790	1.8
475.17651	2.8
505.18680	12.2
553.19751	1.6
553.27356	3.8
553.33868	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	553.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.8
61.98302	0.7
61.98830	9.6
65.07203	0.7
69.30746	5.3
69.31149	1.5
71.01377	3.0
73.02930	2.0
75.00864	1.1
78.51105	0.8
83.89446	0.7
85.02956	2.8
86.99033	0.7
87.00871	1.5
89.02438	1.6
93.03442	3.7
94.17403	0.6
95.01431	0.7
101.02457	1.4
108.02193	0.9
116.92859	7.9
121.02916	5.3
122.03738	13.5
123.04505	1.0
125.02435	1.4
133.02974	6.2
134.03690	2.1
135.04518	1.5
137.02451	1.5
139.50888	0.7
145.02957	1.6
146.03705	1.7
149.02435	23.1
149.06050	1.8
150.03223	96.7
151.03694	1.4
160.01689	1.1
161.02440	4.8
162.02829	0.8
163.04013	1.6
164.04776	6.4
165.05562	100.0
166.05931	2.1
175.03973	1.5
177.05585	0.8
178.06647	0.8
180.04312	6.5
183.13737	0.9
186.75813	0.8
189.46844	0.8
195.06625	55.1
196.07141	3.1
197.08240	1.6
211.09793	2.7
342.13260	3.0
344.12622	1.0
357.15543	23.5
359.15079	2.5
375.27429	1.6
380.60352	0.9
505.20795	39.9
506.21332	2.8
523.19446	1.3
553.25122	4.2
553.32660	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	553.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38637	2.4
57.88597	2.3
59.01374	5.5
60.99319	12.3
69.62735	10.1
71.01367	4.8
71.24247	2.4
88.98273	4.9
88.98808	79.5
95.48314	2.9
101.02451	5.6
125.02356	3.0
151.00337	9.5
163.00362	2.4
163.57516	2.4
164.04752	2.5
169.01440	3.1
178.99823	2.5
194.38123	2.7
243.03015	6.7
255.03040	16.6
257.04395	3.3
271.02463	32.4
300.02750	74.4
301.03482	31.0
331.13663	2.9
463.08783	100.0
464.08716	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	553.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.5
61.98819	3.7
69.03489	1.1
69.30428	3.1
69.30848	4.3
71.01375	2.1
72.99242	0.9
73.58436	0.9
77.36175	0.9
85.02991	1.7
87.00883	0.9
94.47435	0.9
95.01324	1.1
97.02969	1.6
99.00892	1.2
107.01389	7.9
111.00851	2.4
123.00871	10.8
124.01665	1.7
125.02444	47.5
136.98804	2.0
139.00360	4.7
140.01128	3.3
141.01923	0.9
151.00372	6.0
156.01752	0.9
161.13049	0.9
168.00639	1.9
169.01421	68.7
311.04117	1.7
371.06198	7.7
384.38455	0.9
509.20224	100.0
510.20520	10.1
576.92139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72899	1.4
57.49788	1.3
59.01378	34.0
61.98535	2.3
61.98834	32.0
68.81084	1.3
69.31353	12.4
71.01373	3.3
80.91649	1.4
89.02427	2.1
93.03465	5.6
95.01353	1.3
96.76929	1.5
109.02946	1.7
119.03544	1.7
119.04996	2.1
121.02966	16.7
122.03743	15.2
123.04514	2.4
133.02957	11.7
134.03784	2.8
135.04506	14.8
136.01659	23.1
137.02454	10.4
145.02968	2.1
146.03792	1.6
147.04539	3.7
149.01288	2.6
149.02437	40.0
149.05998	3.6
150.03223	69.8
151.04019	26.3
160.01715	1.5
161.02444	25.8
163.04016	5.0
164.04774	8.3
165.04167	3.3
165.05563	60.1
172.05226	2.4
175.04016	11.2
176.04704	2.2
177.05569	2.4
179.03487	3.1
179.07104	3.3
180.04247	3.2
189.05531	4.7
190.06369	12.3
191.07100	2.7
195.06616	29.2
205.08672	2.9
208.91573	1.5
221.28775	1.6
225.05602	1.5
255.06741	1.6
271.05148	1.3
284.06949	2.7
285.07709	3.1
294.09018	1.3
299.09253	5.6
313.10730	2.0
327.12363	5.6
343.11734	3.5
357.13440	18.2
475.17957	7.3
487.17606	2.2
492.56012	1.6
505.18674	100.0
506.19031	8.4
553.09119	2.1
553.26965	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37863	0.4
58.40816	0.4
59.01379	100.0
60.01722	0.6
61.98824	9.3
66.76339	0.5
69.34292	1.8
69.34717	2.3
72.99316	0.6
89.20072	0.6
90.30313	0.5
91.69202	0.5
91.76706	0.5
115.42815	0.4
148.59793	0.5
154.32162	0.5
173.65857	0.5
246.85751	0.6
253.21747	0.6
398.57437	0.5
454.12531	0.6
469.33392	1.6
478.29059	0.7
551.34772	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	551.359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01379	100.0
60.01680	1.0
61.98831	20.2
69.25433	0.9
69.25742	8.1
71.05030	2.1
83.05045	1.1
84.89674	0.8
88.20144	0.8
101.68141	0.8
109.06593	1.6
125.81668	0.8
135.08136	0.9
183.45784	0.8
227.36044	0.9
254.78078	0.8
319.22690	2.2
363.71674	0.9
383.25809	1.5
389.27176	1.8
401.27008	3.0
413.30600	1.0
455.31683	2.5
473.32642	9.1
491.33875	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	551.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74613	0.4
59.01379	100.0
59.95492	0.5
61.98829	19.1
69.43922	3.9
79.81884	0.5
84.78579	0.5
96.96020	0.6
98.20628	0.9
305.91647	0.5
461.32867	1.5
473.32669	0.7
489.36047	0.9
491.33896	2.7
551.08862	0.7
551.36731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36029	0.4
59.01379	3.0
61.98829	8.7
64.96491	0.5
67.22681	0.4
71.01372	0.6
73.66512	0.4
78.95905	29.0
80.08312	0.4
98.19832	0.6
152.99582	4.1
168.04312	4.3
173.91075	0.5
185.57996	0.5
224.04822	0.5
224.06912	10.3
233.22762	0.6
239.45424	0.6
242.07941	3.2
259.20590	0.7
277.21716	100.0
278.22043	3.6
359.21216	0.4
471.24994	0.5
502.29395	81.7
503.29697	4.7
517.31464	0.5
553.29834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.8
61.98830	58.6
69.27690	1.8
69.28111	2.5
78.95905	5.4
96.55731	0.5
98.19952	1.1
152.99590	1.1
160.41434	0.5
168.04329	1.4
224.06917	1.3
228.00313	0.5
242.07990	4.0
259.20773	0.9
277.21707	100.0
278.22025	4.7
502.29379	35.3
503.29819	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	552.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23510	0.6
54.27993	0.6
59.01380	77.3
60.01713	3.9
61.72144	0.6
61.87754	0.6
61.98830	100.0
69.29802	5.4
73.02956	0.8
75.00877	0.8
95.56460	0.7
98.19955	1.5
123.00879	0.6
125.02451	2.5
140.01086	0.6
169.01450	4.0
171.80307	0.7
181.05104	0.7
456.32260	1.2
474.33197	1.9
492.34109	4.2
509.20221	5.3
552.08984	2.2
552.25677	1.5
552.35992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63237	0.3
54.65579	0.3
59.01379	100.0
60.01714	0.4
61.98835	1.3
69.25131	1.9
69.25559	1.2
78.37856	0.3
88.71364	0.3
114.66608	0.3
123.00989	0.3
135.04546	3.2
137.90250	0.3
161.02490	0.5
169.01479	0.3
177.01776	0.3
179.03523	0.9
270.98743	0.3
473.32776	1.8
491.33731	2.6
507.22382	0.5
537.52045	0.3
551.08380	0.8
551.24994	0.4
551.36084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68531	0.4
57.00808	0.4
59.01379	100.0
60.01711	0.7
61.98835	4.2
69.55286	1.0
69.55700	1.8
78.86172	0.4
125.02398	0.5
169.17273	0.4
199.25085	0.4
303.47095	0.5
473.32852	0.9
491.33597	2.7
506.38434	0.4
551.25610	1.2
551.33649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86384	0.4
51.41309	0.4
57.03449	0.8
59.01379	100.0
59.43714	0.4
61.98823	4.4
70.48470	0.9
71.01382	5.7
71.05022	0.8
72.14668	0.4
72.99329	0.4
73.02953	1.3
75.00873	0.8
82.01468	0.4
83.01437	0.5
83.04987	0.5
85.02951	2.2
87.00897	0.8
87.04519	0.4
88.98813	0.8
89.02438	4.1
91.41177	0.5
93.03450	2.6
97.02924	0.5
97.06611	0.5
99.00878	0.5
101.02433	5.1
107.05003	0.4
109.02975	0.9
113.02451	2.3
117.03477	0.9
119.03491	1.8
119.04974	0.5
121.02951	4.5
123.00866	1.0
123.04453	0.5
125.02482	2.0
131.03526	0.5
132.02196	0.9
133.02954	20.1
134.03346	0.7
135.03009	0.7
135.04532	6.0
137.02451	2.4
139.04027	1.6
143.03477	0.8
145.02954	1.4
149.02541	0.5
151.00369	0.6
153.02011	0.7
161.02437	58.9
162.02788	4.9
163.02959	1.2
163.04131	0.7
165.01874	0.7
165.12843	4.3
168.00706	0.6
169.01404	1.6
175.03951	0.5
177.01978	0.5
177.04074	0.9
177.05553	0.4
179.03468	3.3
179.05736	0.5
183.13876	5.5
184.14282	0.4
193.07248	0.5
207.13951	0.5
209.11880	0.5
227.07077	1.3
227.12915	5.7
251.12970	0.6
270.98895	0.6
281.06625	0.5
285.03934	0.9
298.98303	0.6
299.15027	0.7
299.98978	0.5
323.09869	0.6
329.16144	2.0
337.21729	0.7
341.10635	0.7
389.18298	3.0
413.55768	0.5
417.22769	3.6
425.30679	0.5
433.20755	1.1
435.24109	0.5
447.31210	0.7
471.31451	0.5
491.34155	2.3
507.26370	0.7
507.33383	9.3
551.24780	49.1
551.32190	4.2
552.25250	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	551.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89504	1.1
57.85802	1.0
59.01371	5.4
61.31279	1.1
61.98831	100.0
62.98532	1.5
71.53545	1.6
85.41252	1.0
139.43199	1.1
359.56668	1.1
400.48160	1.1
421.89728	1.2
488.34650	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	551.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.6
61.98822	2.4
66.42024	0.8
66.93810	0.8
70.82444	0.8
71.01402	1.5
71.51643	0.8
71.52243	0.9
76.40629	0.9
78.46852	0.8
78.95908	1.2
79.88728	0.8
89.02451	2.3
93.03403	0.9
95.98508	0.7
101.02436	2.6
113.02460	1.3
119.03454	1.0
161.04559	1.2
191.05597	1.7
235.08211	1.9
253.09314	10.6
255.23271	100.0
256.23578	5.5
300.99557	0.9
469.33173	2.9
551.33453	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	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	13.9
61.98826	2.5
71.01385	2.5
76.02245	1.8
89.02471	2.5
94.47921	1.7
96.96024	2.3
98.20668	3.7
101.02485	2.9
161.41466	1.8
182.24860	1.9
189.52591	1.7
253.09166	10.7
255.23285	100.0
256.23511	2.2
469.32895	5.2
551.32422	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	551.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51012	0.8
59.01377	100.0
61.98828	25.2
64.50057	0.8
69.24870	6.7
69.25294	1.6
71.04645	0.9
71.05016	12.3
75.74863	0.7
83.05069	0.7
92.45430	0.7
95.01333	0.7
110.17098	0.7
114.60115	0.8
123.00862	2.8
125.02409	3.8
139.00395	1.1
151.00348	1.3
168.00758	0.8
169.01392	3.7
212.39052	0.8
239.69289	0.8
327.36478	0.8
335.23846	2.1
352.21628	0.8
353.24802	6.6
359.25864	3.2
371.25684	3.3
373.23679	2.1
397.23825	0.9
425.30569	17.1
426.30615	1.1
443.31558	11.9
455.31268	1.1
461.32404	2.4
469.29602	5.7
473.32645	2.3
487.30627	2.2
491.33859	5.8
551.08295	2.1
551.25555	9.0
551.32794	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01701	0.4
61.98838	1.6
71.01376	0.5
73.02940	0.4
81.39968	0.3
89.02415	0.3
89.03367	0.3
98.19775	0.5
99.37624	0.3
109.02963	0.3
123.00901	0.6
125.02444	0.9
133.02939	0.4
135.04547	1.2
137.02443	0.6
140.01343	0.3
151.00406	0.5
161.02495	0.9
169.01462	1.4
179.03510	0.5
227.03561	0.4
230.16492	0.3
270.98932	0.4
285.04044	3.8
292.09644	0.4
299.98953	0.5
336.32324	0.3
457.33163	0.6
471.31506	0.5
473.32846	0.9
491.34116	0.9
507.33887	0.4
533.31281	0.4
551.08289	1.7
551.24268	1.2
551.32684	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	551.2502
Annotation	Dracunculifoside A
Peak:m/z	Relative Intensity
51.66677	0.3
57.03440	0.9
59.01377	4.3
61.98831	6.1
67.85738	0.3
70.76537	0.8
71.01379	2.5
73.02946	0.6
75.00864	0.4
83.01400	0.3
85.02950	1.1
85.80305	0.3
87.00861	0.5
89.02447	1.2
93.03450	0.3
93.18790	0.3
98.19862	0.3
99.00913	0.3
101.02405	1.6
101.44462	0.3
105.03439	0.8
109.02990	0.3
113.02467	1.0
115.01901	0.6
117.03471	2.5
119.03537	0.4
119.05007	0.4
128.22758	0.3
132.02136	1.8
133.02956	30.8
134.03682	1.0
135.04530	7.1
136.04855	0.4
137.02454	0.7
145.02953	4.0
161.02435	100.0
162.02769	3.4
163.04037	0.8
165.12819	0.9
174.32668	0.3
179.03464	4.0
183.13933	1.4
205.04968	0.5
227.12944	2.1
281.06528	0.4
389.18155	0.5
446.17001	0.3
468.91168	0.3
488.12595	0.3
489.32147	0.3
551.24890	86.8
552.25250	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	551.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.43997	0.3
57.03437	0.3
59.01379	5.9
59.44944	0.3
61.98833	5.2
69.34874	2.5
71.01381	4.2
73.02957	1.5
83.01383	0.7
85.02940	2.0
87.00871	0.6
89.02448	2.5
95.01360	0.5
99.00870	0.6
101.02438	3.1
105.03467	0.7
106.10191	0.3
109.02929	0.5
113.02419	1.5
116.03255	0.3
117.03471	1.4
119.03504	0.9
121.02947	0.4
125.02425	0.4
132.02177	1.8
133.02959	31.8
134.03345	1.0
134.39607	0.3
135.04520	8.4
136.04811	0.3
137.02396	0.5
141.98381	0.3
145.02946	0.9
151.04030	1.7
159.03024	0.4
161.02440	100.0
162.02785	2.9
165.12836	1.5
174.01640	0.4
179.03496	4.2
179.05609	1.1
183.13919	3.4
196.12691	0.4
197.15457	1.0
206.14476	0.3
207.13881	0.3
209.15413	0.8
225.14973	0.5
227.12906	2.3
253.14439	0.7
317.39066	0.3
341.10904	0.9
389.18115	3.7
390.19183	0.3
433.20355	0.4
507.28094	0.5
551.24872	72.4
552.25293	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	551.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01379	100.0
60.01726	1.7
61.98827	15.9
71.01392	2.7
71.05045	1.5
71.53442	1.1
73.02969	1.1
78.43828	0.5
83.05042	1.0
85.02912	0.7
89.02480	1.2
93.03460	0.9
95.01457	0.7
99.00935	0.7
101.02457	3.2
102.51425	0.6
106.66979	0.6
107.01376	1.0
111.08175	0.8
113.02444	1.3
123.00894	2.8
125.02426	3.8
139.00328	1.6
151.00433	1.3
160.01651	1.7
161.02487	1.4
165.12837	11.6
168.00655	2.1
169.01405	5.1
175.04021	1.8
183.13889	22.2
207.13901	2.3
209.11836	1.2
225.14874	1.2
227.12881	34.5
228.13199	1.1
236.89969	0.7
251.12900	5.2
269.13953	2.3
270.98837	5.5
283.99680	1.2
293.01028	0.9
293.13919	0.7
295.33566	0.7
297.00406	3.2
298.98380	3.0
299.15051	1.7
299.99130	7.7
300.99896	0.9
309.00449	1.8
322.01138	1.1
323.99155	1.0
329.16095	6.7
335.01993	0.9
336.99915	12.8
337.03870	1.1
338.00455	1.1
349.03403	1.0
350.00769	0.8
351.01630	1.5
365.02960	0.9
367.00943	1.2
375.20239	2.0
389.18265	3.8
389.27017	0.9
391.01163	0.9
393.02441	5.2
419.07718	1.1
431.07550	1.3
463.06961	0.9
473.32635	1.1
489.32053	2.1
491.05927	0.9
491.34195	3.5
507.09534	2.6
507.33582	1.1
533.31439	2.3
551.08331	58.7
551.24622	10.6
551.32422	9.1
552.08868	4.4
552.25879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46251	0.7
57.03454	1.7
59.01379	100.0
61.98828	7.6
63.54969	0.7
69.03448	1.3
69.46824	5.9
71.01388	3.5
71.05022	1.3
73.02946	3.3
83.05037	1.8
85.03016	1.6
88.98814	0.7
89.02460	0.8
95.05039	0.8
97.06607	1.8
98.19861	1.4
101.02454	2.4
107.01408	1.2
109.02940	1.7
111.08157	3.5
113.02450	1.7
116.45684	0.8
117.03477	1.5
118.81595	0.7
119.05050	1.4
121.02968	1.1
123.00917	1.6
125.02476	5.2
125.43542	0.9
133.02934	5.2
134.03658	1.0
135.04520	14.0
137.02414	1.0
139.00406	1.0
145.02968	6.1
146.03729	47.4
147.04478	2.4
149.06122	1.7
151.00403	1.0
161.02451	15.2
161.06070	15.0
163.04027	2.5
164.04790	31.9
165.05573	2.1
165.12834	35.2
168.00554	1.1
169.01404	6.7
169.68922	0.7
175.03983	0.9
177.04025	1.3
177.05579	1.1
179.03607	6.4
179.07130	61.2
180.07397	1.3
183.08197	1.9
183.13890	21.0
183.35449	0.7
189.12943	1.0
191.10905	0.8
197.15358	0.8
207.13971	2.5
209.11876	4.4
221.04556	2.1
221.15457	2.6
223.13408	1.0
227.07195	1.9
227.12865	21.5
231.13948	2.1
233.11816	2.7
249.14964	3.4
251.05618	1.2
251.12895	7.3
265.14386	5.0
269.13980	2.8
270.98987	1.3
275.10165	1.1
275.12796	5.0
281.06607	1.7
281.14114	1.0
293.13959	31.0
294.14215	0.9
298.98392	1.0
299.99240	2.5
301.00037	1.5
307.08298	3.1
311.15045	2.2
323.07727	7.0
323.14868	1.0
353.15891	0.9
355.91138	0.9
359.25900	1.8
371.17102	10.1
373.20255	1.5
375.25330	1.2
389.18256	2.0
396.75238	0.8
397.27625	0.9
423.00070	1.4
473.32803	2.1
491.33777	17.6
492.34210	1.4
551.08344	14.5
551.24945	24.9
551.32617	6.2
552.25787	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	551.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	49.3
61.98818	8.2
69.20708	22.1
69.21066	2.4
71.01373	32.4
73.02925	3.2
85.02942	8.0
87.00872	3.3
88.98810	2.5
89.01926	4.1
89.02441	44.6
89.67821	2.6
94.89942	2.3
95.01385	3.2
101.02444	26.4
111.08103	3.5
113.02453	15.7
119.03465	14.2
131.03485	3.7
133.02945	2.6
135.04597	3.0
140.47491	2.0
143.03401	3.4
145.02974	2.5
161.02435	7.7
161.04559	6.1
165.12831	45.8
177.01897	4.6
177.04002	3.1
179.05618	11.0
183.13895	79.0
197.15504	3.2
207.13896	6.6
209.11778	5.1
227.12869	100.0
228.13206	3.8
250.12242	2.1
251.12828	21.3
269.13904	5.1
295.68451	2.2
299.14914	8.6
329.16016	29.6
341.10864	36.4
373.25754	2.8
389.18158	60.9
390.18542	3.8
551.23529	59.1
551.31055	4.3
552.23499	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	551.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.0
58.00591	0.7
59.01380	18.5
61.33102	0.7
61.98816	1.5
69.03452	1.2
69.35993	4.8
69.36395	1.4
69.96077	0.7
71.01380	14.4
71.77766	0.7
71.93134	0.6
72.11280	0.7
72.38288	0.7
73.02959	5.2
75.00883	1.0
76.90449	0.7
80.18587	0.7
83.01390	1.6
83.05025	0.8
85.02955	4.4
87.00863	6.5
89.02449	10.8
95.01389	0.8
95.05043	0.7
97.02942	0.7
97.06580	1.2
101.02434	12.5
101.97290	0.7
111.08165	1.4
113.02441	6.7
115.03978	0.7
117.03446	1.1
119.03490	1.3
119.05038	3.1
125.02429	1.2
131.03419	1.0
132.02164	1.1
133.02951	13.4
135.04535	3.3
137.02380	0.8
143.03493	1.1
145.02928	1.8
146.03712	2.6
158.31889	0.7
161.02434	38.3
161.04594	2.9
161.06079	2.0
162.02824	1.3
163.04031	1.3
165.12842	39.1
167.07097	1.3
167.14394	2.2
179.03494	2.2
179.05606	1.6
179.14461	0.9
183.13890	97.2
184.14235	3.2
195.13907	1.6
197.15463	16.1
207.13893	5.5
209.11818	8.1
225.14964	10.7
227.12872	100.0
228.13213	2.9
251.12907	2.7
254.21985	0.8
269.13904	13.1
281.14172	0.8
299.15005	10.4
313.12955	3.3
325.42056	0.7
329.16031	37.9
330.16284	1.7
341.10873	2.1
371.17047	2.5
389.18143	69.6
390.18152	3.8
473.18219	5.2
551.23920	65.6
552.24847	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28691	2.0
57.03434	3.4
58.00582	2.5
58.99842	2.3
59.01378	100.0
61.51373	2.1
61.98830	10.3
69.03447	4.3
69.19605	21.4
71.01377	49.9
72.99311	3.4
73.02946	8.7
75.00870	17.6
81.03455	4.7
83.01386	4.0
85.02950	12.8
87.00880	9.5
89.02443	64.9
95.01381	5.8
97.02945	2.6
98.20660	4.8
101.02431	38.5
103.76564	1.9
106.43023	2.3
113.02448	23.4
119.03496	37.4
119.85410	2.6
121.03002	2.1
125.02451	22.3
129.17215	2.1
131.03481	7.2
135.04536	3.0
139.03931	2.8
143.03479	11.4
160.80356	2.1
161.02423	9.0
161.04535	14.6
161.52522	2.3
165.12766	5.2
167.10768	29.1
179.05600	34.1
183.13905	15.4
205.05133	2.4
221.06662	24.9
227.12935	6.6
263.07758	5.1
270.98691	3.5
299.99130	6.2
300.99951	2.6
310.07483	2.4
319.86880	2.4
323.09808	39.6
357.61584	2.4
533.22363	3.3
551.08331	7.3
551.23846	32.9
551.31781	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	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15812	0.3
51.85220	0.3
57.03434	0.7
59.01379	42.3
61.01823	0.4
61.98830	3.6
67.01914	0.5
69.03465	0.7
69.23456	0.7
69.23859	2.7
71.01373	2.1
71.05022	0.9
72.71886	0.3
72.99310	0.6
73.02955	0.8
75.00879	0.6
79.01921	0.4
81.50700	0.3
83.01357	0.4
83.04999	0.5
85.02943	0.9
87.00888	0.4
89.02459	0.6
93.59099	0.3
95.01416	0.8
97.02945	0.5
97.06613	0.5
98.97820	0.3
101.02441	1.1
107.01396	1.0
107.05025	1.0
109.02983	0.7
110.47006	0.4
111.00874	1.4
111.08171	0.4
113.02480	0.8
115.35673	0.4
117.03460	0.6
121.02925	0.4
123.00883	2.9
124.01661	0.8
125.02448	6.3
127.00364	0.5
133.02977	1.5
134.03749	2.4
135.04524	100.0
136.04852	2.4
136.98807	0.6
137.02470	0.6
139.00354	1.9
140.01154	1.7
145.02939	0.5
149.06075	0.4
151.00368	2.4
151.04088	0.3
161.02443	4.9
162.02669	0.3
163.04041	0.4
165.12837	3.2
168.00664	2.5
169.01416	9.9
177.01759	0.4
177.04050	2.0
177.05560	0.8
179.03493	31.4
180.03806	0.7
181.34218	0.3
183.13908	4.9
183.15387	0.5
203.14322	0.6
207.13893	0.6
209.11778	0.4
211.02415	1.2
221.04565	1.1
221.15472	1.1
227.03282	0.4
227.12869	5.2
231.13971	0.5
233.11703	0.9
249.14946	1.0
251.05731	0.6
251.12849	1.9
265.14517	1.2
269.14011	1.2
270.98804	0.4
271.04767	0.6
275.12885	0.7
281.06741	1.0
285.04074	0.4
291.55817	0.3
293.13947	8.4
294.14252	0.6
297.06174	1.0
297.09753	9.2
299.99084	0.6
301.00046	0.4
311.15088	0.5
315.54639	0.3
323.07773	0.9
329.05112	1.1
341.08820	1.9
353.23447	0.9
371.17007	3.5
389.18109	0.3
489.32407	0.5
491.34036	2.8
507.22336	13.8
507.33478	0.6
508.22714	1.2
551.07837	1.9
551.24951	27.4
551.32336	3.0
552.25299	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	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01379	45.1
60.01722	0.4
61.98829	4.7
69.03468	0.4
71.01391	1.9
71.05025	0.9
71.53707	0.5
72.99307	0.6
73.02954	0.9
75.00874	0.7
83.01382	0.5
83.05031	0.4
85.02966	1.1
87.00878	0.4
88.98793	0.6
89.02454	0.6
91.05565	0.4
93.03465	0.4
95.01411	0.5
97.02971	0.6
99.00893	0.4
101.02445	1.0
107.01392	1.1
107.05065	0.7
108.02167	0.4
109.02990	0.6
110.74596	0.3
111.00889	1.3
111.08169	0.5
116.04794	0.2
116.59870	0.2
117.03530	0.4
117.51422	0.2
117.87496	0.3
119.03539	0.3
121.02978	0.4
123.00883	2.0
123.04559	0.5
124.01601	0.4
125.02453	4.5
125.03340	0.5
127.00411	0.4
133.02963	2.1
134.03746	2.7
135.04524	100.0
136.04868	2.4
136.98909	0.4
137.02490	0.8
139.00359	1.6
140.01149	0.9
141.01965	0.3
145.02921	0.5
149.02481	0.3
150.03258	0.3
151.00334	1.4
151.03984	0.3
161.02441	4.6
161.04587	0.6
163.03992	0.5
165.12839	3.0
168.00633	2.0
169.01416	7.7
175.04071	0.3
177.01874	0.6
177.04051	1.2
177.05585	0.9
179.03497	30.4
180.03828	0.8
180.37651	0.3
181.12321	0.3
183.13904	4.6
189.12801	0.3
207.14026	0.5
209.11845	0.5
211.02516	0.9
221.04497	1.2
221.15445	0.8
227.03539	0.6
227.12883	5.3
228.13217	0.4
231.13966	0.5
233.11880	0.6
236.07524	0.3
236.14700	0.3
249.15047	0.7
251.05699	0.6
251.12901	2.6
255.03056	0.7
265.14435	1.1
269.13904	0.8
270.99170	0.3
275.12906	1.0
281.06750	1.2
284.03284	0.6
285.04007	0.3
293.13950	7.0
297.01508	0.3
297.06488	0.8
297.09750	9.9
299.98959	0.5
300.99869	0.5
311.15179	0.4
313.05972	0.4
323.07736	0.6
329.05280	0.5
341.08716	1.8
353.23364	0.9
371.17093	3.6
389.18326	0.5
389.23489	0.7
473.32935	0.8
489.32101	0.6
491.33917	3.0
507.22290	14.8
507.30353	0.5
507.32855	0.7
508.22928	1.5
533.31128	0.6
551.08185	1.8
551.24976	18.4
551.32422	4.1
552.25427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1977
Annotation	Trivalvone
Peak:m/z	Relative Intensity
53.43579	1.0
55.01880	6.0
57.03442	1.1
58.00583	2.6
59.01377	45.5
60.95693	1.0
61.98821	3.0
69.14693	9.7
69.15094	1.6
71.01377	25.1
72.99306	2.9
73.02943	2.5
75.00870	22.6
83.01387	2.9
85.02943	8.4
87.00854	2.6
89.01932	2.0
89.02444	29.1
93.03441	1.8
95.01413	5.8
96.95988	1.0
99.00901	1.1
99.04502	2.4
101.02430	16.9
111.00881	1.4
113.02448	8.6
114.79575	1.2
119.03510	10.7
121.02970	1.4
123.00859	10.0
125.02445	11.3
129.01920	5.7
133.02921	1.8
135.11740	2.8
139.00409	1.1
143.03476	1.7
147.02980	8.4
147.11795	1.0
149.02377	2.8
149.04546	1.0
149.06012	1.7
150.03185	1.6
160.01576	1.0
161.02406	4.0
161.04520	2.9
161.09695	2.2
163.04019	2.1
165.04053	37.8
165.05501	4.5
169.01396	9.0
175.03943	1.3
178.02655	1.6
179.05594	6.2
179.10774	28.4
191.05589	1.6
193.04968	6.4
195.06578	2.7
200.01001	1.2
208.02960	1.2
223.09741	28.1
229.01373	3.5
245.01186	1.6
257.00909	2.7
273.04111	1.2
275.01889	4.9
285.03976	1.8
299.98770	1.8
300.99838	17.4
301.03033	2.1
302.00345	2.2
353.12460	1.6
371.12979	3.3
371.17062	10.9
382.02222	1.8
389.21323	1.5
391.02997	6.6
391.53415	2.0
392.02814	1.2
403.16019	12.2
420.91339	1.2
433.20660	1.7
467.03406	4.4
485.47644	1.1
551.19690	100.0
552.20129	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	551.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43095	0.5
55.01882	0.9
56.05222	0.5
57.03450	3.2
58.00601	1.3
59.01378	37.5
61.98832	1.3
67.01863	0.6
69.24116	5.2
71.01009	1.1
71.01381	16.8
72.05798	0.6
72.99300	2.8
73.02934	1.5
75.00871	19.8
81.03468	0.7
83.01377	2.4
85.02959	5.1
87.00856	1.5
89.02441	18.4
93.03428	0.8
95.01389	1.7
98.05751	0.6
99.00866	1.6
99.04517	1.7
101.02441	9.8
111.00894	1.6
113.02446	5.8
119.03487	5.2
123.00908	1.5
124.05259	0.7
125.02441	1.9
129.01927	3.3
134.03749	0.6
135.03003	0.8
135.11830	3.2
139.00352	0.8
143.03421	0.7
147.02982	11.0
149.02428	0.8
150.03165	0.8
161.02415	1.2
161.04576	1.0
161.09695	1.3
163.04074	0.6
165.04037	26.4
165.05406	1.2
166.99940	0.7
169.01401	1.1
178.02745	0.6
179.05605	1.8
179.10765	21.8
191.05640	1.0
193.02124	0.6
195.06563	1.3
197.11687	0.9
223.09752	13.2
235.06088	0.6
251.08319	0.9
253.10075	0.6
267.11368	1.0
279.07758	1.3
280.08560	4.0
284.13037	0.7
295.10901	11.5
300.99847	2.1
327.13498	6.5
339.09918	5.3
353.12390	2.3
359.16733	0.7
371.12756	12.6
372.13321	0.6
389.14294	1.1
403.16110	3.6
489.72656	0.7
533.18829	1.6
551.19763	100.0
552.19995	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	551.1195
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
57.03458	0.3
59.01379	10.3
59.24128	0.3
60.16607	0.3
60.99304	1.0
61.98833	2.4
63.02404	0.5
65.00342	0.7
70.03641	0.8
88.98808	5.8
89.02448	1.1
93.03477	1.7
98.20596	0.3
107.01401	0.8
109.02927	0.3
117.03454	0.6
119.05048	0.3
121.02966	0.6
125.02426	0.8
132.02173	0.4
133.02972	1.8
135.00859	0.3
135.04526	0.9
137.02441	3.1
145.02986	0.8
149.02409	0.4
151.00356	2.6
153.01936	0.4
157.06593	0.3
161.02440	4.6
163.00389	0.5
163.04001	0.4
167.04962	0.4
169.01463	0.5
169.06563	0.4
171.04436	0.4
174.03267	0.6
175.03969	0.3
178.99878	0.6
179.03468	0.6
183.04549	2.8
185.06032	0.6
187.03998	0.6
194.55196	0.3
195.04529	0.3
199.03899	0.4
201.05544	0.4
211.04037	2.4
227.03491	82.6
228.03802	2.7
229.05026	1.4
239.03371	0.7
241.05074	0.4
243.02979	0.5
243.06635	0.6
255.02977	100.0
256.03638	10.4
257.04471	1.4
267.02908	0.3
268.03842	0.4
269.04520	0.7
281.04510	0.3
283.02524	0.4
283.06046	0.3
284.03250	57.5
285.04007	22.8
286.04367	1.1
294.09076	0.3
296.03278	0.7
327.05072	1.5
429.08215	0.7
491.33841	1.0
521.17987	0.4
550.31708	0.5
551.11926	95.3
551.23859	3.3
552.12268	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	551.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92625	1.0
57.03440	4.7
58.64819	0.9
59.01379	100.0
60.01707	2.3
61.98822	13.7
63.47401	1.0
69.03432	2.6
69.33605	1.9
69.34009	7.7
69.34769	0.9
70.87296	0.9
71.01379	3.2
73.02944	1.5
75.00882	3.8
76.83921	1.0
80.96519	1.0
83.05037	1.2
85.02006	0.9
85.02959	3.4
87.00848	2.0
88.98848	1.3
89.02442	3.1
93.03442	1.6
95.01358	1.5
97.02892	1.0
97.81268	1.0
101.02420	3.7
101.06058	1.1
103.00386	3.3
107.01385	2.9
108.02174	15.2
109.02951	42.5
113.02457	1.3
113.06100	1.1
117.03446	2.4
119.05004	2.9
120.02168	1.9
121.02967	5.0
123.00881	3.5
123.04520	15.2
124.01695	1.3
125.02441	3.9
133.02977	6.2
134.03702	4.0
135.00848	2.9
135.04497	2.8
136.01663	17.5
137.02469	5.6
145.02957	2.9
147.04509	1.4
148.01678	13.9
149.02483	5.8
150.03215	10.1
151.00400	1.4
151.04010	14.5
152.01128	5.0
153.01976	1.6
153.05574	13.4
159.04495	1.6
160.05276	2.8
161.02440	13.2
161.04610	1.0
161.05952	1.1
162.03099	1.9
163.04002	59.2
164.01123	5.2
164.04727	3.8
165.01895	6.4
165.05568	6.6
166.02689	14.2
167.03458	3.7
169.01431	3.7
174.03090	1.2
175.03972	1.7
177.01840	1.9
177.05522	1.7
178.02670	6.8
179.03474	4.7
181.03445	2.0
181.05061	40.0
187.04008	3.5
188.04781	5.7
190.02676	1.0
192.04323	2.0
193.05067	27.7
193.06938	1.9
195.06586	4.0
195.08176	1.1
203.07143	16.3
205.05055	1.7
209.04343	1.5
211.06137	6.9
242.05696	1.5
243.06700	4.8
245.88855	1.1
260.65671	1.0
267.06564	1.4
270.98892	2.7
271.09750	1.0
279.06491	1.3
281.08157	2.4
291.06601	1.7
297.07626	1.8
297.11087	1.1
298.98334	3.4
299.99011	3.6
300.99854	1.6
309.07605	3.6
309.11148	1.9
312.09949	1.5
324.10162	1.7
327.12292	4.4
339.12357	31.9
341.10324	1.7
351.36462	1.1
357.13416	3.6
357.26556	1.1
359.11481	1.3
375.27408	5.4
414.10812	1.2
417.12952	1.7
443.11734	2.4
461.16232	1.4
473.16077	2.0
489.32156	1.6
491.17105	5.4
491.33755	16.0
503.17368	2.7
521.18304	5.9
533.18164	12.0
551.08380	5.3
551.24646	10.9
551.32220	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	551.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37965	1.8
55.01857	1.9
57.03435	6.0
59.01378	30.3
61.98814	5.9
69.81296	7.3
71.01009	1.8
71.01382	21.1
73.02970	7.6
75.00878	8.5
81.03461	4.1
83.01376	6.3
85.02952	6.3
87.00879	3.0
89.02430	16.5
91.24930	1.3
92.49657	1.3
93.03458	1.7
95.01374	3.3
97.02928	2.1
98.04716	1.3
99.04497	3.6
101.02432	19.1
105.03465	1.8
107.01373	2.9
108.02182	1.3
109.02956	13.2
113.02428	8.1
119.03487	4.8
121.02930	6.3
123.00834	3.9
123.04531	1.8
125.02441	34.9
137.02429	21.3
138.03183	6.1
139.03973	1.4
146.97578	1.3
149.02429	38.0
150.02882	1.3
161.02464	8.6
161.04512	3.3
163.00302	1.8
163.03937	1.6
164.01132	7.0
165.01924	14.4
165.04039	7.6
166.02707	33.2
167.03485	24.8
169.01387	5.2
174.03177	2.7
175.03984	20.2
176.01141	5.3
177.01869	3.7
179.03485	2.0
179.05598	2.8
179.10680	5.2
185.06064	2.1
187.03976	1.8
191.03397	1.8
191.05594	2.7
192.00615	7.1
193.01366	8.4
193.05023	1.5
197.06007	2.3
198.03217	2.6
199.03961	19.0
200.86353	1.5
201.01884	4.9
213.05516	4.5
215.03352	1.6
216.04135	1.5
217.05040	16.2
223.04012	1.5
223.09705	5.0
229.05017	1.5
241.05035	35.1
242.02115	1.5
242.05522	1.5
242.30801	1.2
243.03004	6.7
257.04459	3.0
267.95923	1.3
275.01868	1.5
285.04028	100.0
286.04449	4.4
300.99808	4.9
303.05042	12.1
371.09753	45.0
372.10175	1.8
381.08060	6.6
389.21768	5.2
391.03049	1.5
397.07648	8.4
403.16010	2.1
507.11392	13.6
551.19495	17.7
551.27112	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	550.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43978	0.4
61.98828	100.0
71.01472	0.8
124.51408	0.3
181.56187	0.3
225.79465	0.3
291.58444	0.3
487.34369	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	550.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
67.38699	0.4
87.88882	0.4
130.49486	0.4
153.32718	0.4
352.98990	0.5
420.02097	0.5
437.97211	0.5
441.34158	0.5
487.34137	3.6
491.47623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	4.0
59.01380	14.8
61.98823	7.4
69.85994	5.3
69.86388	2.5
71.01382	9.0
73.02947	7.2
75.00872	4.1
81.03476	1.9
83.01385	3.0
85.02969	2.2
89.02457	5.9
93.03465	5.3
95.01408	3.9
96.96022	2.2
97.02970	1.6
99.04513	2.4
101.02451	6.4
105.03501	1.5
107.01434	2.0
108.02172	1.9
109.02952	5.3
111.04499	2.3
113.02462	2.1
117.03453	1.5
117.64795	1.8
119.03472	2.3
120.02158	1.8
121.02962	6.2
123.00861	4.6
124.01741	1.7
125.02456	36.1
128.78481	1.7
135.04549	6.9
137.02443	19.5
138.03235	5.5
145.62845	1.7
148.01645	4.0
149.02429	28.9
161.02422	8.4
163.00407	4.4
163.03961	7.8
164.01178	7.5
165.01912	7.6
165.04105	4.0
166.02708	21.9
167.03497	12.7
169.01421	8.7
175.03972	19.1
176.01140	6.1
177.01884	2.3
179.03439	4.1
179.10751	4.1
179.53664	1.8
183.02005	1.7
185.05963	2.2
191.05591	3.5
192.00606	5.7
193.01378	7.9
193.05043	3.4
198.03238	3.5
199.03981	20.8
201.01891	4.7
213.05510	3.7
217.05035	12.8
223.09666	2.7
226.02708	1.8
241.05063	36.1
242.02188	1.8
243.02977	6.8
257.04501	2.0
275.02219	1.9
285.04047	100.0
286.04294	3.8
300.99951	8.0
303.04977	3.5
371.09842	33.8
381.08191	8.3
397.07678	6.2
415.39978	1.8
431.49268	1.6
507.11279	6.9
551.12347	3.2
551.19708	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	550.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66485	0.4
59.01379	17.7
60.01709	1.1
61.98831	100.0
69.19997	4.1
70.37492	0.5
85.05325	0.5
113.59242	0.4
121.02979	2.8
122.03294	1.4
149.04472	0.5
165.01971	2.2
166.02231	0.5
249.74333	0.4
257.40192	0.6
284.29742	0.5
490.32715	0.9
491.33560	0.8
515.28845	1.0
550.10712	1.6
550.31732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00528	0.5
51.20638	0.4
59.01378	2.9
61.01812	0.7
61.98829	100.0
70.84613	1.3
76.28873	0.5
85.57052	0.5
134.17296	0.4
147.28593	0.5
148.58397	0.4
247.09547	0.6
449.42377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43235	0.5
54.43772	0.5
59.01374	2.6
60.47799	0.5
61.25056	0.4
61.98830	100.0
77.61218	0.5
78.95917	1.4
96.96023	1.8
100.28252	0.5
123.45528	0.6
143.16512	0.5
150.96707	0.5
152.99593	0.5
162.21880	0.6
211.71753	0.5
222.08339	0.6
255.23349	2.0
441.33893	0.7
452.28131	0.9
487.34262	2.8
491.90848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64360	0.4
59.01381	2.4
61.98830	100.0
74.96824	0.4
113.65560	0.5
114.52217	0.4
121.12494	0.4
134.77881	0.5
134.78909	0.4
176.91768	0.3
178.69617	0.3
183.60669	0.4
205.23070	0.5
229.55229	0.5
249.47450	0.5
435.07782	0.5
478.77817	0.5
482.42426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72272	0.5
57.12973	0.5
59.01377	4.4
60.01757	0.5
61.98831	100.0
67.89601	0.5
69.33467	4.4
70.85271	0.5
71.01377	4.0
73.02959	0.8
82.80610	0.6
83.01356	0.8
85.02964	2.2
87.00894	0.7
89.02422	2.6
95.01414	0.7
101.02425	2.6
101.13251	0.5
113.02473	1.5
116.92866	1.6
117.03487	2.6
117.92900	1.0
119.03535	0.6
119.05052	0.9
125.02457	0.7
132.02174	2.1
133.02960	25.7
134.03247	6.0
135.04549	7.0
136.04834	2.1
137.02487	0.7
138.03722	0.5
145.02960	4.6
151.00410	0.6
151.03995	1.7
155.87737	0.6
160.01672	1.7
161.02441	84.2
162.02786	19.3
163.04051	1.0
165.05562	0.9
175.03996	1.9
176.04410	1.0
179.03496	3.9
180.03838	1.0
181.05057	0.6
183.13904	2.5
184.36334	0.5
197.15526	0.7
227.12877	1.5
253.14594	1.0
301.03244	0.7
338.09610	0.9
339.84921	0.6
389.18463	0.7
438.10278	0.6
532.22723	1.2
549.22852	3.1
550.23798	43.7
551.24731	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	550.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40045	0.5
59.01378	19.0
61.98829	100.0
69.49518	4.5
71.01376	1.3
71.05017	0.6
85.03004	0.8
88.98833	0.6
90.90406	0.6
98.20620	1.2
101.02474	1.4
103.88972	0.6
108.63823	0.7
121.02960	1.3
131.40144	0.6
132.02217	0.6
133.02966	11.9
134.03708	0.8
135.04532	15.9
137.02473	1.6
148.05305	8.1
160.64378	0.6
161.02444	43.5
162.02808	1.5
163.04076	0.6
163.07669	4.0
169.01437	1.0
175.03987	0.7
177.05545	0.7
179.03505	14.9
179.04959	1.0
198.01591	0.9
203.03458	0.6
211.77649	0.6
221.04620	1.1
272.15005	0.6
323.07657	8.0
487.16074	38.7
488.16708	2.4
489.32187	0.9
491.34241	0.7
549.30713	1.0
550.31097	2.6
551.08319	0.9
551.24158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13825	1.2
59.01374	5.9
60.96482	1.1
61.96721	1.1
61.98828	58.5
69.46890	5.8
69.47312	2.9
71.01372	2.0
82.13853	1.3
89.02459	1.6
96.76497	1.4
101.02404	1.8
113.02478	1.5
117.03449	4.5
119.04995	3.8
122.38092	1.1
132.02150	1.5
133.02953	29.4
134.03345	2.3
135.04517	23.1
136.04843	1.6
145.02943	13.7
149.06100	1.7
161.02440	100.0
162.02760	11.8
163.04018	2.1
171.06033	1.3
177.05568	6.2
179.03490	28.3
180.03860	1.3
203.03465	1.5
207.16785	1.2
221.04565	8.7
232.28189	1.2
248.92485	1.2
251.05573	10.7
281.06625	12.2
303.55569	1.2
307.81519	1.2
323.07822	11.0
341.08780	19.9
345.61969	1.2
354.46240	1.3
387.16446	2.1
388.16910	2.0
395.69113	1.5
487.12393	38.8
488.12720	3.4
549.23901	7.4
550.23993	18.2
551.24567	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	550.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97775	0.6
59.01378	4.8
61.45548	0.5
61.62128	0.6
61.98830	100.0
65.36034	0.6
69.26283	4.5
71.01385	4.8
71.64341	0.6
73.02952	1.3
83.01402	0.9
83.25199	0.5
85.02962	2.3
89.02461	1.8
97.03043	0.6
97.09750	0.6
101.02475	3.0
102.02782	0.6
105.03455	0.9
113.02448	1.0
116.92869	2.8
117.03468	2.3
117.92891	2.0
119.05042	0.9
125.02482	0.6
132.02188	1.8
133.02959	25.0
134.03249	5.5
135.04544	6.6
136.04890	2.5
137.02420	0.8
145.02931	5.0
151.04007	2.5
160.01671	1.6
161.02440	75.9
162.02780	19.4
163.04057	1.3
165.12892	1.1
169.01498	0.7
175.03963	1.4
176.04309	0.8
179.03508	4.7
180.03854	1.9
182.05446	0.7
183.13861	2.8
197.15512	1.3
205.04991	0.7
209.15495	1.3
214.84137	0.8
227.12872	2.0
253.14397	1.2
281.06912	0.7
287.09460	0.6
329.71307	0.7
337.09323	0.7
338.09698	1.0
389.18402	0.8
396.27814	0.7
487.16257	0.8
489.98282	0.7
532.22675	1.7
549.23541	4.8
550.23749	45.1
551.24725	28.2
551.33325	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	550.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88568	3.6
59.01368	6.2
60.73587	3.6
61.98819	15.7
62.28526	3.2
69.45899	23.3
69.79237	3.5
71.01388	5.7
80.21098	3.3
82.22922	3.6
83.01397	6.4
83.05001	3.8
85.35917	3.5
89.02457	6.8
93.03446	15.1
95.88793	3.6
107.01398	8.3
109.02981	6.8
111.00930	7.0
111.04523	26.8
123.00862	17.1
125.02440	36.9
137.02467	4.6
139.00388	6.2
151.00400	18.9
155.03450	10.6
168.00742	6.3
169.01439	67.0
173.04477	4.5
211.02411	15.8
229.49205	3.8
331.06778	22.7
469.09958	37.3
487.10895	100.0
488.11346	6.2
497.91132	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	550.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39586	2.9
55.79967	2.9
57.03431	3.6
58.00604	4.1
59.01112	5.0
59.01380	71.8
60.01717	4.8
60.38462	3.0
61.98830	97.0
68.27845	3.2
71.01375	37.3
72.01730	5.2
72.99269	5.4
73.02963	5.0
75.00866	36.3
76.01208	4.8
77.01271	4.6
85.02970	8.1
87.45435	3.0
88.98799	8.4
89.02447	36.5
90.02761	8.5
91.02838	4.1
91.40723	2.9
95.01405	3.2
99.00898	3.3
99.04547	14.7
101.02437	18.9
102.02792	6.6
109.02942	9.3
113.02450	12.1
117.03454	15.7
119.03491	8.8
119.05019	12.9
120.36372	3.1
125.02415	8.5
133.02966	25.6
134.03387	5.5
135.03001	85.3
135.04515	41.6
136.03326	22.7
137.02444	5.2
137.03366	25.2
143.03438	3.6
145.02957	58.3
153.01898	10.6
161.02441	73.7
161.04533	4.2
161.06017	6.3
161.13329	5.0
162.02739	19.5
162.13745	3.7
163.04001	22.7
169.01393	7.7
177.04063	3.9
177.05498	4.3
179.03491	38.4
179.05095	3.5
179.05734	4.3
180.03816	4.0
197.79816	3.6
205.05037	4.1
205.12294	12.1
206.12669	12.5
208.14220	5.2
227.12675	3.7
249.11368	7.4
250.11690	9.8
251.12611	13.6
252.13173	10.5
265.07007	3.9
271.02536	3.4
300.02670	5.1
301.03140	4.6
307.08240	5.1
338.51849	3.5
368.14117	3.8
370.15479	4.9
430.17709	4.7
431.18579	14.2
432.19022	21.8
443.13272	3.9
487.12457	12.9
549.21820	31.1
550.21973	100.0
551.24786	27.9
551.32043	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37467	0.7
56.01449	0.6
59.01380	34.7
59.05609	0.7
61.98826	3.6
62.95536	0.7
71.01398	4.4
71.53278	1.1
73.02943	1.0
75.00860	1.3
85.02968	1.5
89.02446	3.0
93.03465	2.0
101.02440	2.1
105.03462	1.1
113.02466	1.7
117.03473	0.7
121.02934	0.9
125.02441	2.2
132.02180	16.1
133.02972	8.8
134.03745	12.8
135.04498	2.8
137.02434	5.0
139.03986	0.8
145.02972	1.2
149.06023	1.5
160.01659	80.1
161.02457	13.3
164.82100	0.8
168.00592	0.7
175.03996	83.0
176.04446	2.4
177.01886	0.9
179.03494	3.8
191.07132	0.9
193.05037	9.1
221.04593	1.2
235.06140	3.2
300.02658	1.2
305.21350	1.6
387.18213	2.2
445.33411	1.2
487.34619	1.3
489.33322	1.5
505.09485	0.8
505.35809	1.2
507.35815	0.8
534.24744	0.9
549.27087	100.0
550.27441	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	549.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.38581	0.4
61.98835	2.8
70.85037	0.8
71.05038	0.5
71.15035	0.4
73.02932	0.6
75.97618	0.4
110.83325	0.4
148.36995	0.5
222.24936	0.5
299.99200	0.5
335.22113	0.9
340.21262	0.4
369.24338	0.6
387.25519	4.0
399.25656	1.6
405.26938	1.0
433.02332	1.6
453.30557	1.0
455.31894	0.8
471.31085	3.5
489.32208	3.2
549.06818	2.9
549.29742	0.7
549.31238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.8
59.01378	4.4
61.98820	2.8
69.17709	3.0
71.01376	2.4
71.05033	0.6
73.02959	0.9
76.54819	0.3
78.02019	0.3
83.01375	0.5
84.68687	0.3
85.02943	1.3
87.00895	0.8
89.02432	1.3
89.03986	0.3
93.03460	0.6
95.01351	0.5
99.00870	0.5
99.04532	3.5
101.02437	2.6
105.03450	0.5
113.02446	0.7
117.03448	2.0
119.05043	0.4
121.02962	0.9
123.04517	0.5
125.02457	0.9
132.02153	1.4
133.02959	31.7
134.03859	1.4
135.04523	9.2
136.04796	0.4
137.02473	1.7
139.04021	0.4
141.88675	0.3
145.02957	2.2
149.06068	0.9
149.74689	0.4
150.03145	0.3
151.00273	0.4
151.11298	0.3
161.02440	100.0
162.02783	3.4
163.02867	0.7
163.04083	0.7
177.01897	0.3
177.05559	1.1
178.02719	0.7
179.03496	6.4
181.12325	0.4
189.12796	0.6
190.02718	0.3
191.03381	0.4
193.05031	0.5
205.05063	0.9
206.05681	0.4
207.43866	0.3
221.04576	1.4
221.08112	1.0
225.14931	1.1
235.06133	0.4
251.05655	0.9
252.05913	0.4
265.07181	0.6
281.06598	1.3
300.02682	0.5
307.08212	0.7
323.07870	0.5
357.13318	0.4
375.14194	0.7
387.14874	1.0
397.15002	0.5
405.15506	0.5
431.22983	0.6
476.11829	0.3
487.12723	0.4
487.30502	0.3
549.23383	76.0
550.23669	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
57.03444	2.8
58.00594	4.2
59.01377	100.0
60.81220	0.8
60.99313	1.6
61.98823	6.2
69.03436	0.7
71.01379	74.3
71.05035	0.9
71.10104	1.5
72.99307	5.2
73.02937	6.1
75.00862	1.1
81.03469	1.4
83.01395	4.2
85.02949	17.8
85.06586	3.4
87.00861	5.4
88.98808	9.0
89.02441	87.2
95.01386	5.3
96.96017	1.6
97.02956	1.6
99.00890	2.8
101.02443	43.0
113.02445	30.1
115.04034	1.0
119.03501	38.6
123.00886	1.5
124.01702	1.1
125.02451	7.0
131.03452	4.3
135.02991	1.6
135.04530	1.1
137.09721	2.3
143.03513	7.6
143.07120	1.6
148.46886	0.7
149.04520	3.5
149.99614	1.6
151.00385	0.8
159.03011	1.5
161.02444	2.3
161.04553	13.7
166.06354	0.9
168.00626	2.4
169.01430	3.2
177.01758	0.8
179.05620	16.7
181.01485	0.8
191.03583	0.8
191.05646	2.0
208.61449	0.8
225.14978	1.6
271.02448	1.8
275.01941	1.6
297.08386	1.1
299.10223	0.7
300.02628	1.5
300.99915	3.1
301.03159	1.0
369.19128	1.9
387.20200	8.7
447.62140	0.8
459.15112	1.8
489.20761	0.7
505.11450	2.2
549.15491	3.1
549.25513	57.6
550.26099	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	549.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01921	0.5
59.01107	1.0
59.01379	31.2
61.98848	1.2
71.01376	7.0
73.02967	1.1
85.02976	1.1
88.98830	1.3
89.02441	7.5
95.01410	0.8
96.96069	0.7
98.19911	1.5
101.02428	5.1
113.02454	2.7
117.03474	0.6
119.03522	2.9
125.02476	0.7
132.02197	1.5
133.02954	32.0
134.03670	1.1
135.02968	0.9
135.04523	6.2
145.00200	0.5
145.03000	0.9
149.06065	0.8
160.01627	0.6
161.02435	100.0
162.02779	2.8
163.03989	1.0
163.11304	3.2
169.01424	0.5
175.03986	0.5
175.97960	0.4
179.03487	4.9
193.05017	0.5
207.10248	6.9
221.04527	1.1
251.05412	1.1
271.02432	0.9
281.06516	1.9
300.02640	1.2
317.63040	0.5
387.16580	62.8
388.16763	2.8
431.18576	0.7
505.09814	0.7
549.19269	38.6
550.19653	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	549.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.5
61.11296	0.3
61.98827	11.7
67.77045	0.3
71.01382	2.6
71.52711	0.5
73.02953	0.9
83.01367	0.7
85.02955	1.3
87.00897	0.4
89.02445	0.8
89.03973	0.3
93.03469	0.3
99.00868	0.3
99.92570	0.4
101.02438	1.5
105.03442	0.8
110.95129	0.3
113.02428	1.1
113.95730	0.3
116.61115	0.3
116.92851	3.4
117.03474	1.8
119.04997	0.5
125.02412	0.5
132.02158	2.2
133.02954	33.7
134.03671	1.3
135.04521	9.5
136.04863	0.4
137.02422	0.7
139.28221	0.3
145.02943	2.3
148.05299	0.3
149.06078	0.4
151.00352	0.6
160.01656	2.2
161.02435	100.0
162.02776	3.0
163.02919	0.5
163.04150	0.4
175.03984	2.9
177.05522	0.6
178.99763	0.3
179.03493	6.1
180.03873	0.8
181.05063	0.9
189.82121	0.3
193.05034	0.8
196.07420	0.6
205.05064	0.5
221.04538	1.0
221.75790	0.3
222.04808	0.4
251.05632	0.4
271.02469	0.9
281.06757	0.8
300.02780	0.8
301.03549	1.0
337.09106	1.6
339.36966	0.3
343.09464	0.4
387.16479	0.4
486.20142	0.4
505.10147	0.7
505.26489	0.9
531.22162	1.5
549.23389	70.3
550.23645	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	549.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64165	1.4
51.87412	1.4
55.01875	2.3
55.42212	1.4
57.03423	2.5
58.00583	1.7
59.01377	100.0
60.01724	1.6
60.51300	1.5
61.98817	4.3
63.69328	1.3
68.89252	1.3
69.35880	9.2
69.36287	3.0
71.01381	43.5
72.99320	2.2
73.02942	30.8
75.00875	10.1
83.01394	8.0
84.95107	2.4
85.02950	13.5
87.00884	3.1
88.56032	1.5
89.02450	16.1
93.80938	1.2
95.01369	2.4
98.19913	3.4
99.00896	4.5
99.04507	2.3
101.02436	26.2
101.90685	1.7
106.26979	1.3
113.02435	15.4
117.01919	2.7
119.03495	5.6
120.99651	1.6
121.10248	10.4
129.01917	2.0
135.02997	14.3
137.02385	1.6
143.03453	2.1
155.03484	1.8
159.03000	2.6
161.04573	9.3
165.09155	3.4
167.10745	4.8
177.04077	2.0
179.03474	2.5
179.88705	1.5
207.13844	2.7
221.89258	1.5
251.12875	10.8
301.16562	6.0
345.15591	3.9
387.11533	2.9
387.16577	60.6
388.17050	3.3
419.07574	1.9
431.18903	5.3
463.17746	2.7
489.17883	2.1
505.19312	45.8
506.19452	3.1
549.22162	9.7
549.29053	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
57.03444	2.3
59.01378	100.0
61.98826	5.9
69.03453	1.9
69.36079	4.5
69.36485	9.7
71.01378	45.9
72.99307	2.8
73.02940	25.4
75.00857	10.4
79.16959	1.6
83.01376	8.5
85.02959	10.9
89.02431	17.2
95.01391	3.2
97.02979	1.6
98.20650	3.0
99.00886	4.2
99.04578	2.8
101.02447	31.3
102.80597	1.4
111.00947	1.6
113.02444	16.7
116.99422	1.6
117.01946	3.7
118.43662	1.6
119.03516	4.7
120.99603	1.6
121.10221	14.6
121.18285	1.7
125.02412	2.3
131.03564	1.7
135.03008	15.4
140.33176	1.7
141.56880	1.7
141.81653	1.6
149.04446	2.0
155.03500	1.8
161.04520	9.1
165.09189	3.7
167.10776	5.2
169.01440	1.9
173.04430	1.7
177.04126	2.8
189.12601	2.0
251.12865	9.1
268.55380	1.8
301.16605	6.9
345.15851	2.3
387.16586	58.4
431.19104	9.3
439.42899	1.7
505.19266	54.6
506.19394	3.1
515.91827	1.8
549.22424	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	549.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
57.03444	2.3
59.01378	100.0
61.98826	5.9
69.03453	1.9
69.36079	4.5
69.36485	9.7
71.01378	45.9
72.99307	2.8
73.02940	25.4
75.00857	10.4
79.16959	1.6
83.01376	8.5
85.02959	10.9
89.02431	17.2
95.01391	3.2
97.02979	1.6
98.20650	3.0
99.00886	4.2
99.04578	2.8
101.02447	31.3
102.80597	1.4
111.00947	1.6
113.02444	16.7
116.99422	1.6
117.01946	3.7
118.43662	1.6
119.03516	4.7
120.99603	1.6
121.10221	14.6
121.18285	1.7
125.02412	2.3
131.03564	1.7
135.03008	15.4
140.33176	1.7
141.56880	1.7
141.81653	1.6
149.04446	2.0
155.03500	1.8
161.04520	9.1
165.09189	3.7
167.10776	5.2
169.01440	1.9
173.04430	1.7
177.04126	2.8
189.12601	2.0
251.12865	9.1
268.55380	1.8
301.16605	6.9
345.15851	2.3
387.16586	58.4
431.19104	9.3
439.42899	1.7
505.19266	54.6
506.19394	3.1
515.91827	1.8
549.22424	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	549.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.4
61.98845	2.0
64.90984	0.4
69.30501	3.1
70.10283	0.4
77.03968	1.4
80.38477	0.4
84.69312	0.4
93.03452	0.4
98.19853	0.7
121.02951	100.0
122.03302	1.6
135.01067	0.4
137.02397	0.6
142.39810	0.4
165.01920	56.3
166.02243	1.3
180.05811	0.6
181.06599	2.4
195.06299	0.3
197.06116	2.2
201.53116	0.4
207.04468	0.7
225.05580	1.4
257.09741	0.7
313.07260	1.7
357.06165	0.9
362.98618	0.4
383.07526	0.6
415.68137	0.4
417.09631	2.3
489.32364	0.7
501.61234	0.6
505.11130	2.3
506.34927	0.4
549.10339	28.9
550.10748	2.2
572.46777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67910	1.8
57.52219	2.1
69.28843	10.8
69.29258	6.4
79.11669	1.7
98.19906	3.7
103.84975	2.0
107.01398	3.4
108.02174	2.7
108.17871	2.0
114.63181	2.5
121.02906	2.7
124.89848	2.0
134.69460	2.2
142.99306	2.1
148.01724	2.5
151.00378	15.8
163.00305	3.8
178.99881	4.3
203.41371	2.2
226.02731	2.2
227.03462	3.9
243.03004	15.8
254.02286	2.7
255.00610	1.5
255.02968	40.8
255.78410	2.5
271.02457	83.2
272.02899	5.0
273.03931	2.5
300.02716	100.0
301.03467	47.5
302.03860	6.0
348.16483	2.3
404.77759	2.0
463.08630	4.3
499.10648	2.7
505.09860	84.7
506.10083	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	548.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63919	0.6
59.01379	32.1
60.01700	1.2
61.98830	100.0
71.53361	0.6
71.53816	1.1
75.00831	0.6
78.64558	0.6
79.35078	0.6
85.15175	0.6
86.39625	0.6
90.34331	0.6
102.90488	0.5
119.84172	0.5
124.15920	0.6
132.03975	0.6
284.42932	0.6
331.91226	0.6
489.31970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68499	0.6
59.01379	4.6
60.64804	0.7
61.98830	100.0
67.38806	0.6
70.85480	1.1
70.85806	1.4
105.29471	0.8
152.90437	0.7
169.97908	0.7
246.36880	0.7
384.60529	0.8
399.83929	0.9
576.27612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88567	0.5
59.01376	15.2
60.01731	0.8
61.98829	100.0
71.05037	0.5
71.53658	0.8
114.03744	0.5
157.77451	0.5
285.72543	0.5
364.59344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	63.0
60.01722	1.7
61.01809	2.5
61.84614	1.4
61.98828	100.0
69.19846	14.3
88.93409	1.7
108.66689	1.4
113.33797	1.5
131.73657	1.6
253.43924	1.7
307.83847	2.0
489.31784	2.3
545.10864	1.8
549.34198	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	549.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
59.01380	10.5
61.98822	0.8
69.68628	2.3
71.01384	4.3
72.99313	0.5
73.02940	3.5
75.00880	0.9
77.02154	0.5
83.01389	0.9
84.51591	0.4
85.02935	2.3
89.02442	2.0
90.46107	0.5
95.01369	0.7
96.95998	0.6
99.00856	1.0
99.92583	12.5
101.02435	2.5
113.02456	1.2
113.92232	0.4
116.92857	100.0
117.01939	4.2
117.03477	0.6
117.92863	2.9
119.03466	0.8
119.04982	0.6
121.02956	0.9
131.03531	0.5
133.02957	5.8
135.02974	1.1
135.04521	2.6
142.52261	0.4
145.02933	2.6
148.29263	0.5
161.02431	17.9
161.04466	0.8
162.02751	0.6
163.04065	0.6
163.11266	1.0
177.03978	0.6
177.05464	0.9
179.03532	1.7
207.10188	0.8
221.04568	0.6
246.01723	0.5
246.25108	0.5
255.03000	1.4
271.02490	1.7
284.03293	1.7
285.04092	1.3
300.02777	2.6
301.03357	0.6
387.16550	8.7
403.16150	2.1
417.24768	0.7
431.09784	2.5
463.25543	1.3
476.99820	0.6
505.10233	1.7
505.26257	2.2
548.21838	0.6
549.20667	6.3
549.30597	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	549.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	2.0
59.01376	32.9
60.01715	2.4
61.98830	1.9
63.28929	1.2
66.07518	1.2
69.49371	6.8
69.49786	3.1
71.01391	13.5
72.01719	3.1
72.99318	3.8
75.00876	19.4
75.70677	1.3
76.01210	2.2
77.01294	1.8
83.01408	1.5
85.02949	4.9
89.02445	19.8
90.02784	3.1
95.69157	1.2
99.00884	1.5
99.04511	3.8
101.02461	8.4
102.02798	1.6
109.02962	3.2
113.02447	6.4
117.01964	2.9
119.03510	5.8
119.05048	1.4
121.02955	3.2
123.52968	1.5
135.03000	49.4
136.03328	12.4
137.03403	7.5
148.01663	2.3
151.00348	9.3
161.02438	3.1
161.13362	3.8
162.13675	3.3
162.50188	1.6
163.00375	1.4
163.04002	3.0
164.01045	1.5
178.99884	4.2
179.05530	1.7
181.04976	2.6
189.14357	1.3
205.12302	8.3
206.12682	5.3
207.13757	1.9
211.06075	4.1
227.03485	2.9
243.02927	10.7
249.11311	6.6
250.11621	5.8
251.12862	8.5
255.03015	30.0
256.03384	1.6
257.04590	7.7
271.02454	63.0
272.02917	4.7
283.02405	2.3
299.02167	1.6
300.02747	100.0
301.03445	44.2
302.03558	2.1
360.34122	1.9
429.17429	2.6
430.17819	2.9
431.18488	11.8
463.08875	8.9
505.09897	72.2
506.10208	5.4
548.20447	5.3
549.21222	41.7
549.29321	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	547.268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98824	10.2
68.33277	2.4
71.05019	3.0
72.99295	2.2
77.84547	2.3
79.31866	2.4
112.63044	2.7
189.01889	8.9
209.11757	3.9
221.66655	2.5
247.13629	2.5
469.30038	3.8
487.30527	8.1
547.32379	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	547.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38068	0.6
59.01381	100.0
61.98834	3.7
71.53356	0.8
73.02963	0.5
75.00879	0.7
81.80245	0.5
94.79835	0.5
97.11200	0.5
135.03033	0.6
171.29355	0.5
174.31358	0.5
174.63690	0.5
174.81554	0.6
236.88199	0.5
240.52138	0.6
268.47586	0.5
439.28629	1.3
443.31735	1.3
468.77734	0.6
469.29910	0.8
487.31067	1.2
547.30634	3.7
547.37341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01715	0.8
70.85030	1.4
89.74024	0.5
99.43645	0.5
115.66405	0.6
128.51047	0.5
133.32214	0.5
228.26326	0.5
355.50946	0.5
406.59491	0.6
514.04321	0.6
514.12085	0.5
516.51062	0.5
551.29913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71626	0.3
55.11316	0.3
59.01379	100.0
60.01707	0.5
60.99171	0.3
69.26058	2.8
69.26403	0.5
101.90475	0.3
114.83669	0.3
122.34877	0.3
125.74852	0.2
299.79929	0.3
424.68005	0.3
547.36426	3.7
548.37225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44217	0.3
59.01378	100.0
60.01714	0.6
61.98829	4.1
83.08160	0.3
96.96028	0.3
98.00569	0.3
98.69879	0.3
103.69151	0.4
178.61659	0.3
219.83156	0.3
221.41576	0.3
302.26175	0.4
350.63602	0.4
365.27322	0.4
405.78394	0.4
471.34775	1.0
547.36633	3.9
548.36786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99482	0.5
55.01834	0.6
59.01108	0.9
59.01379	9.4
61.98835	0.9
64.53001	0.5
65.59180	0.6
69.49287	3.7
71.01383	5.2
72.99316	0.7
73.02962	0.6
75.00875	1.2
82.36803	0.5
83.01412	0.7
83.05000	1.2
85.02949	1.3
87.00837	0.8
89.02457	3.3
89.03973	0.6
93.03439	0.7
101.02439	2.5
105.03429	0.6
109.02945	1.3
113.02462	1.7
116.85689	0.5
117.03438	1.9
119.03587	0.6
119.05025	5.2
121.02928	0.8
125.02445	0.7
132.02182	2.4
133.02954	30.7
134.03792	3.9
135.02914	2.0
135.04529	47.0
136.04884	0.8
137.02428	2.7
139.03992	0.6
145.02954	2.8
146.03734	1.9
147.04509	0.6
148.05261	1.2
149.06094	7.2
160.03976	0.7
161.02441	100.0
162.02824	2.1
163.04036	5.8
164.04724	1.3
175.00328	1.2
175.03979	1.0
177.05568	15.8
178.02760	0.9
179.03496	51.6
179.06987	1.4
180.03728	1.0
189.05667	0.5
190.02670	2.4
193.04942	0.7
201.05957	0.5
203.03468	1.4
205.05070	2.9
205.12344	0.9
221.04546	22.9
222.04764	1.0
223.05894	0.6
225.05591	0.9
227.03455	0.7
233.04486	1.0
241.04977	0.7
249.11383	1.0
251.05600	26.5
255.02780	0.6
269.04611	2.8
281.06656	41.8
282.07007	1.3
285.03824	1.1
306.81622	0.7
323.07745	2.1
341.08740	30.1
342.09244	0.7
367.10431	3.6
429.17624	0.9
472.65240	0.6
481.65057	0.6
484.18878	0.8
511.21707	1.0
547.21832	40.0
548.22223	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	547.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.5
61.98825	1.3
63.12525	0.4
71.01379	5.3
71.53481	0.9
73.02924	0.6
73.35687	0.4
75.00859	1.8
80.32332	0.4
83.05021	0.7
85.02941	1.9
89.02442	4.2
93.03445	0.8
95.01382	0.7
101.02416	2.3
104.74771	0.5
105.03432	0.5
107.05028	0.5
109.02988	0.7
113.02440	1.5
114.93432	0.6
116.30369	0.5
117.03461	2.0
119.01353	0.6
119.03534	0.7
119.05034	7.3
121.02959	0.7
122.94012	0.5
123.04591	0.5
125.02486	0.9
127.20111	0.5
132.02156	1.7
133.01436	0.6
133.01926	1.1
133.02953	32.4
134.03761	3.1
135.03072	2.3
135.04526	38.5
136.04794	0.9
137.02425	1.7
139.90642	0.5
145.02975	2.3
146.03746	2.1
148.05321	1.6
149.06070	6.9
153.09222	1.0
159.04498	0.5
160.01553	0.5
161.02441	100.0
162.02820	1.8
163.04015	7.1
164.04758	1.6
169.01344	0.7
175.00429	1.5
177.02020	0.5
177.04092	1.1
177.05556	11.8
178.02724	0.7
178.05867	0.5
179.03494	43.2
179.07094	1.8
190.02702	3.6
203.03520	1.4
205.05034	4.4
205.12350	1.5
221.04541	19.9
223.05968	0.9
225.05681	0.8
233.04552	0.9
238.04167	0.5
251.05594	22.5
255.02870	0.5
269.04565	2.5
273.06796	0.5
281.06668	32.0
282.07025	1.1
323.07733	1.9
341.08783	24.2
342.09064	1.3
367.10327	3.7
484.19211	0.7
485.20599	0.6
496.87024	0.5
509.93463	0.6
511.21912	1.8
529.20483	0.5
547.21851	48.0
548.21985	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	547.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15002	0.7
59.01376	20.2
65.91393	0.8
66.91277	0.8
69.99432	4.2
71.01376	9.1
72.99295	3.4
75.00869	29.7
79.41594	0.9
85.02934	1.2
89.02444	17.1
101.02431	4.9
113.02438	3.3
117.01942	2.2
119.03484	4.7
135.02995	100.0
143.03488	0.9
161.13306	4.0
179.05524	3.8
205.12318	10.9
249.11284	8.6
367.14276	1.4
385.18649	1.0
410.50577	0.8
429.17554	8.2
486.78616	1.1
547.20270	39.1
548.20648	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	547.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
59.01379	4.3
60.99311	0.4
61.28692	0.3
61.98824	1.5
67.01893	1.4
69.03454	0.5
71.01373	3.1
72.99293	0.4
74.72489	0.3
75.00872	0.3
83.01373	0.4
83.05025	0.4
85.02946	1.4
87.00883	1.7
89.02449	1.4
91.64284	0.3
93.03461	8.6
95.01396	0.4
99.00860	0.5
99.04490	0.4
101.02434	1.1
105.03449	0.5
107.05051	0.4
109.02956	0.7
111.04508	1.4
113.02442	1.0
114.95223	0.3
117.03471	1.4
121.02975	0.4
123.04545	0.6
123.20821	0.3
123.47839	0.3
125.02448	1.1
129.01846	0.4
132.02173	1.7
133.02954	35.2
134.03804	1.5
135.04524	11.4
136.04898	0.4
137.02460	0.8
139.04022	0.5
145.02972	1.0
147.04561	0.4
149.02379	0.6
149.06085	0.8
150.03215	0.3
152.01164	0.6
155.03491	0.5
161.02438	100.0
162.02821	2.0
163.04012	0.7
167.03516	0.4
173.04555	3.3
175.03979	0.4
177.01944	0.6
177.05580	1.6
178.02791	0.3
179.03490	7.6
189.01862	0.7
190.02628	0.4
191.05638	0.7
203.03377	0.4
205.12300	1.0
217.01318	0.4
221.04634	2.0
223.05995	0.3
235.06181	0.4
251.05548	1.3
265.07184	0.8
281.06619	2.6
323.07745	0.8
325.09460	0.4
341.08820	1.2
373.25827	2.1
490.74802	0.4
529.20929	0.6
547.21960	69.6
547.31128	11.2
548.22247	5.3
548.30518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	1.4
59.01379	31.7
69.21558	14.0
71.01380	31.4
71.03542	1.4
72.99314	4.8
73.02943	2.7
75.00871	25.6
80.82910	1.6
83.01395	8.0
85.02975	4.3
85.61167	1.6
87.00877	37.7
89.02445	13.6
101.02437	5.2
111.00895	8.3
113.02436	4.5
115.00372	59.8
119.03484	4.0
125.02461	2.4
135.02994	80.6
135.04555	3.0
139.00346	18.1
157.01408	25.4
161.02486	2.2
161.04651	2.4
161.13383	7.2
162.29239	1.7
175.02472	100.0
178.05695	1.4
179.05589	3.0
191.05658	2.0
205.12346	7.5
249.11284	8.0
280.08347	2.1
295.10809	4.6
325.11731	2.4
327.13544	5.5
371.12445	9.9
429.12714	3.8
429.17688	13.8
467.14713	6.4
485.15674	7.3
487.13614	4.5
504.84381	1.8
511.13739	1.8
547.20764	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	547.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46674	0.8
57.03446	8.2
59.01370	5.3
61.98829	3.6
69.49566	5.6
71.01377	5.6
72.99307	1.0
81.03455	7.7
83.01382	15.2
85.02972	1.8
87.00885	6.8
93.03468	2.2
95.05040	1.9
101.02435	1.7
109.02942	3.4
115.00373	13.9
117.03471	1.6
121.02933	1.0
122.03723	1.3
123.04523	44.7
125.02445	82.4
126.02800	1.5
131.90527	0.8
133.02966	11.2
135.04532	5.5
145.02951	3.3
147.04510	2.0
149.02434	3.0
151.00339	6.0
151.03969	3.0
152.01086	1.1
158.83371	1.0
161.02437	23.8
161.03761	1.4
163.04041	2.0
165.01945	1.2
165.12837	1.1
166.02655	6.4
167.03493	100.0
168.03769	2.8
175.02475	29.1
175.03882	1.5
175.05591	0.8
176.04831	5.6
177.01915	9.6
177.05421	1.4
179.03493	9.6
189.00331	1.4
189.01935	18.0
190.02597	2.5
190.29369	0.9
191.03477	5.8
203.03488	3.0
205.08621	5.8
216.00584	3.4
217.01390	9.6
219.02934	5.1
221.04445	1.0
231.03003	3.9
241.08705	1.9
251.05585	1.9
259.09689	3.0
281.06799	1.3
288.06400	2.6
297.11316	1.6
299.12646	0.9
323.12897	1.1
329.16098	1.0
341.06592	38.5
342.06897	1.3
367.11658	5.4
371.17050	1.0
385.12912	65.8
386.13135	3.6
419.11340	2.9
547.22107	15.7
547.30487	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
58.31605	0.4
59.01382	3.3
61.41230	0.4
61.98836	0.6
62.49859	0.4
65.20715	0.4
68.99805	3.3
69.03442	1.3
69.39216	1.1
69.39629	1.9
71.01388	3.0
72.99297	0.4
73.02940	1.5
75.00834	1.0
83.01382	1.7
85.02946	5.1
86.64877	0.4
87.00892	2.3
89.02450	0.9
95.01366	1.2
96.99318	0.5
97.02932	0.7
99.00885	4.5
101.02435	1.5
109.02954	0.9
111.00877	1.7
112.98875	0.4
113.02460	5.6
113.99585	13.3
115.00378	7.1
121.03006	0.7
123.04504	1.0
125.02425	0.6
127.00375	3.1
129.01918	1.6
133.02956	4.3
134.03725	0.5
135.04536	5.3
137.02501	0.6
139.00366	1.3
141.01906	0.6
149.06099	0.7
156.00659	1.4
157.01421	5.2
161.02443	11.0
161.83740	0.4
165.12814	4.0
169.01376	1.2
174.01685	11.0
175.02429	1.9
177.01974	1.1
177.05530	1.9
179.03490	6.6
183.13901	12.8
188.69276	0.4
189.01903	1.9
190.02666	0.4
203.03476	0.5
209.11722	0.6
216.00722	0.5
217.01401	1.5
221.04562	3.0
227.12906	4.3
251.05687	2.6
277.05606	10.9
281.06613	5.1
307.19110	0.6
325.20193	1.6
337.07742	13.8
341.06659	3.3
341.08737	1.5
342.06912	0.6
355.71356	0.4
479.53632	0.5
487.18213	7.0
529.19360	2.1
547.20374	100.0
548.20642	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	546.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20296	1.5
59.01384	8.8
61.98829	30.8
69.19608	10.8
69.20035	6.6
71.01370	4.9
72.99325	1.6
83.01350	2.5
87.00891	1.9
93.03450	8.7
94.03773	2.5
101.02436	2.0
111.00867	9.2
124.01675	2.2
125.02435	3.2
127.00349	4.1
133.02953	18.4
135.04501	13.6
136.98761	5.9
137.02446	11.5
138.02782	4.8
139.00404	8.8
140.01146	14.4
145.02948	2.3
149.05940	2.3
161.02441	49.4
168.00653	22.9
169.01416	3.7
177.05486	2.9
179.03500	14.8
190.02663	3.5
191.03519	4.0
191.05405	2.0
203.03290	1.9
205.05013	2.5
221.04546	3.3
251.05533	5.5
259.05658	1.6
261.15005	2.2
276.36072	1.9
281.06577	7.0
305.13937	20.4
310.04507	1.9
323.07635	6.5
341.08701	6.5
483.18704	100.0
484.18915	6.5
546.18793	2.7
547.21759	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	546.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91796	1.0
54.81094	1.1
59.01380	100.0
60.01704	5.8
61.01790	2.8
61.98831	42.7
67.47882	1.1
71.31464	1.2
81.47320	1.2
95.89941	1.1
149.75775	1.2
152.51819	1.0
442.33725	1.3
470.33597	2.4
486.33231	1.6
488.34641	4.1
546.29468	5.4
546.35260	8.0
547.29431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01378	16.6
71.01382	19.1
72.87237	0.7
72.99285	1.7
73.02939	1.8
75.00864	5.3
83.01389	5.4
85.02956	2.5
87.00869	34.3
89.02438	2.8
95.01380	0.7
96.96027	0.8
99.00903	0.8
101.02422	1.5
103.66631	0.6
106.47136	0.6
111.00879	8.3
112.98814	1.1
113.02459	2.7
113.08739	0.7
115.00371	59.5
116.00735	1.0
125.02393	0.9
127.00368	1.6
135.03003	12.8
139.00374	14.7
143.40709	0.6
157.01419	26.2
175.02467	100.0
176.02878	0.9
205.12268	1.1
249.11249	1.3
267.11401	1.3
280.08606	2.4
295.10883	7.1
297.12219	1.2
309.12515	1.1
323.10233	1.2
325.11862	2.3
327.13409	4.8
339.09869	1.8
353.11447	2.0
369.11090	1.2
371.12399	11.3
385.14157	0.7
390.10660	0.8
391.12921	2.4
397.10257	1.4
399.12061	1.1
401.13458	1.8
429.12924	5.7
429.17612	1.3
431.14761	1.2
435.11749	1.3
443.14264	1.1
453.13168	0.8
457.16739	0.8
467.14456	6.3
485.15570	10.0
487.13687	2.9
511.13602	1.5
547.20978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03875	1.2
59.01376	13.9
62.67685	1.0
69.21452	10.6
70.21390	1.0
71.01379	18.5
72.99309	1.5
73.02941	2.9
75.00877	2.4
83.01380	4.8
85.02946	3.6
87.00879	33.3
89.02414	1.6
90.74029	0.9
98.20638	2.7
101.02476	1.8
103.42053	1.1
111.00895	7.5
113.02474	1.9
115.00373	63.6
117.77116	1.4
119.03471	1.2
127.00314	1.7
134.65854	1.1
135.03009	6.4
139.00371	17.4
157.01414	30.3
175.02470	100.0
176.02798	2.1
280.08435	2.9
295.10748	9.1
306.71179	1.3
314.43198	1.3
314.53940	1.2
315.39682	1.1
325.11551	2.4
327.13443	5.0
339.09708	3.1
341.02896	1.3
353.11380	2.0
362.97665	1.3
369.11069	1.2
371.12473	11.9
397.10150	2.5
399.11469	1.2
401.13324	1.9
411.55826	1.1
429.12787	5.5
435.11560	1.6
467.14740	6.8
485.15720	8.5
487.13550	3.3
511.13748	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	545.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92824	0.4
59.01379	100.0
60.01720	0.5
62.62623	0.4
63.75696	0.4
64.05048	0.4
69.72116	0.5
70.84570	1.1
85.48264	0.4
89.02458	0.6
161.50296	0.5
249.18600	8.8
250.18970	0.5
253.09283	1.1
274.81140	0.5
309.03619	0.6
487.34369	1.4
545.30164	2.4
545.37164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01719	0.5
69.27533	0.6
69.27943	4.0
84.41134	0.4
87.59673	0.4
89.75485	0.5
90.16521	0.4
98.20685	1.1
114.44970	0.5
159.28175	0.5
179.39816	0.6
206.36169	0.5
235.58418	0.5
362.11356	0.5
436.28586	0.6
485.88272	0.5
545.28253	0.9
545.35565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.348
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
59.01378	100.0
60.01730	0.5
61.98822	1.5
70.26848	0.3
71.00867	0.4
71.01232	0.8
71.05003	0.5
75.00852	0.4
96.84532	0.4
125.02455	0.5
165.12820	0.4
169.01462	0.8
461.75159	0.4
469.33594	0.5
485.32761	1.3
487.34351	0.7
493.64325	0.4
501.37244	0.4
545.29156	3.0
545.35504	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	546.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90992	1.4
59.01381	10.1
60.43979	1.6
61.98824	12.6
62.61440	1.4
66.50095	1.2
67.01925	1.5
69.33452	9.7
71.01365	4.4
75.00874	2.3
84.82861	1.2
85.02961	2.5
89.02436	5.1
92.02339	1.4
94.93085	1.3
96.96012	13.0
97.95948	1.7
101.02456	2.4
113.02463	1.8
119.03529	1.4
119.05013	2.4
123.00886	13.2
124.01603	1.7
125.02467	16.2
135.03009	8.6
139.00368	4.6
140.01126	2.8
151.00388	8.2
161.02417	2.7
161.13203	1.6
168.00616	3.2
169.01418	22.3
177.04051	3.1
189.51907	1.4
205.12387	4.2
214.02760	1.5
249.11235	5.1
285.03784	3.3
313.05557	1.8
379.69406	1.5
384.11743	2.1
429.17667	3.7
448.09500	3.4
483.18686	100.0
484.18951	5.6
547.20184	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	546.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20296	1.5
59.01384	8.8
61.98829	30.8
69.19608	10.8
69.20035	6.6
71.01370	4.9
72.99325	1.6
83.01350	2.5
87.00891	1.9
93.03450	8.7
94.03773	2.5
101.02436	2.0
111.00867	9.2
124.01675	2.2
125.02435	3.2
127.00349	4.1
133.02953	18.4
135.04501	13.6
136.98761	5.9
137.02446	11.5
138.02782	4.8
139.00404	8.8
140.01146	14.4
145.02948	2.3
149.05940	2.3
161.02441	49.4
168.00653	22.9
169.01416	3.7
177.05486	2.9
179.03500	14.8
190.02663	3.5
191.03519	4.0
191.05405	2.0
203.03290	1.9
205.05013	2.5
221.04546	3.3
251.05533	5.5
259.05658	1.6
261.15005	2.2
276.36072	1.9
281.06577	7.0
305.13937	20.4
310.04507	1.9
323.07635	6.5
341.08701	6.5
483.18704	100.0
484.18915	6.5
546.18793	2.7
547.21759	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	544.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.3
61.98830	100.0
65.61058	0.5
98.19879	1.7
125.02431	0.6
129.16000	0.6
165.00320	0.4
168.72676	0.5
169.01451	0.8
183.13924	0.8
184.85194	0.6
210.12186	0.6
300.99759	0.6
408.30066	0.6
450.33917	0.5
486.33096	1.1
487.34595	1.1
544.28290	7.0
545.28357	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
66.38396	0.5
69.41856	0.5
70.48471	0.4
78.01133	0.5
78.95910	3.4
99.92648	0.5
108.60349	0.4
113.68859	0.5
114.52693	0.4
115.92070	1.1
116.92834	0.7
130.55173	0.4
142.13588	0.4
168.40359	0.5
169.01448	0.6
178.88510	1.1
179.89240	1.0
193.90776	1.3
196.89513	1.4
202.03769	0.5
359.27527	2.0
375.30688	1.4
389.28244	2.4
405.31741	1.2
407.29263	0.8
437.30481	5.2
441.33673	12.2
442.34085	1.2
455.31543	7.5
485.32861	2.9
527.14801	0.8
545.16248	1.3
545.34479	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30360	0.8
59.01378	14.0
61.98830	9.1
70.85255	2.0
71.05013	3.0
96.20393	1.0
99.96577	1.1
125.02400	1.7
169.01370	2.8
393.31598	2.2
423.32529	2.3
425.30551	2.5
437.30383	1.4
439.32205	1.2
441.33441	1.3
467.31723	15.6
469.32889	1.2
471.34598	2.0
474.70056	1.0
485.32706	26.4
486.32468	2.7
495.22275	0.9
515.33575	2.1
525.32092	1.2
537.02747	1.0
543.28296	100.0
544.28888	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	543.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.87616	0.5
60.01703	0.6
61.77338	0.4
61.98827	0.8
69.40623	3.8
71.05004	0.6
78.95907	0.5
81.65667	0.4
136.52440	0.5
163.16798	0.5
177.60661	0.5
196.87947	0.5
259.87579	0.5
274.31226	0.5
287.26349	0.5
341.15121	0.5
370.26999	0.4
371.38742	0.4
409.31842	0.4
421.31085	5.9
422.31793	0.5
427.64709	0.5
439.32144	39.5
440.32523	3.5
448.02579	0.5
467.32150	0.6
469.33368	0.8
471.35126	0.7
483.31219	6.2
484.31467	0.8
485.32980	1.7
489.19751	0.5
513.32269	5.5
543.28510	5.0
543.34442	3.3
544.34528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3325
Annotation	Luvungin A
Peak:m/z	Relative Intensity
55.19622	0.5
57.18737	0.5
58.01946	0.5
59.01377	100.0
60.37307	0.6
61.98824	1.5
63.58693	0.6
67.68383	0.5
70.85179	1.1
70.85554	1.2
73.02965	0.5
74.27946	0.6
74.94043	0.6
74.95764	0.6
74.96184	0.8
75.17136	0.6
75.98297	0.5
77.59465	0.5
87.11342	0.5
108.65936	0.6
126.13441	0.6
163.97232	0.5
169.01445	0.6
190.02727	0.6
208.01257	0.6
213.20631	0.5
397.12820	0.7
421.31033	1.0
439.32092	2.8
483.31168	11.4
543.28394	4.2
543.34033	4.2
544.33856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55906	0.3
59.01379	100.0
61.98838	0.7
69.34664	0.3
71.96881	0.3
72.61642	0.3
84.94853	0.4
99.55506	0.2
147.19092	0.3
181.25804	0.3
483.30948	0.5
543.33630	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	544.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	50.4
61.98829	100.0
69.16669	29.2
69.17075	6.7
71.01373	10.4
71.05017	5.6
85.02924	4.4
89.02444	7.4
90.86815	3.7
93.03485	6.0
101.02446	9.4
107.01404	6.7
113.02441	6.9
123.00864	14.0
125.02456	23.0
135.50104	4.0
137.02368	4.2
139.00380	3.0
151.00330	10.1
161.04575	4.3
169.01421	34.0
191.05569	13.3
209.11816	5.6
211.02521	5.0
254.75768	3.3
269.04523	3.9
300.99686	6.5
360.76297	3.6
425.34332	6.0
426.34805	5.6
443.35391	17.8
444.35626	30.5
445.35532	4.7
467.04303	4.6
481.17184	76.9
487.34006	16.4
488.34509	17.2
505.35333	9.8
506.35468	13.7
543.33057	6.6
544.13696	4.7
544.32788	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	543.1353
Annotation	Scytonemin
Peak:m/z	Relative Intensity
52.56363	0.9
57.03432	0.9
59.01363	3.3
61.98810	1.3
68.99802	3.9
69.72450	5.5
71.01376	5.1
73.02927	1.9
75.00854	1.9
80.96504	1.1
83.01373	3.4
85.02951	7.5
87.00851	4.8
95.01372	2.0
96.64981	0.9
97.02940	1.8
99.00892	7.4
101.02451	1.7
109.02972	0.8
111.00857	2.3
112.98785	1.4
113.02462	7.1
113.99580	21.9
115.00357	11.0
119.05045	1.5
121.02921	2.4
125.02478	1.6
127.00340	3.5
129.01956	4.5
131.62004	0.9
135.02998	1.3
135.04451	0.9
137.02379	1.4
139.00287	2.0
148.90808	1.0
149.02428	13.9
157.01398	6.9
161.02396	1.6
163.03954	1.7
164.04758	11.8
169.01367	3.1
174.01672	19.6
175.02507	2.3
179.07089	1.2
205.05009	1.2
223.06133	9.0
256.49234	1.0
277.05612	40.6
277.08664	1.9
281.28073	0.9
300.99911	2.7
312.26697	0.8
337.07739	100.0
338.07892	2.8
483.11401	5.2
543.13464	97.5
544.13916	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	543.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08773	0.8
55.01854	1.7
56.97469	0.8
57.03447	0.9
59.01357	3.8
61.98823	1.8
68.99815	4.3
69.03454	1.4
69.52437	6.4
71.01380	4.1
73.02910	1.4
75.00849	3.0
80.96503	1.7
83.01377	2.5
85.02961	7.6
87.00903	4.1
89.02412	1.4
95.01384	1.9
96.96053	1.7
96.99303	1.3
99.00884	6.4
101.02442	2.6
105.46435	1.1
111.00853	3.3
113.02442	7.7
113.99583	21.9
115.00371	11.4
119.04972	1.8
121.02926	3.0
125.02406	2.8
127.00360	4.2
129.01917	3.5
135.04555	1.2
137.02454	1.1
139.00331	1.5
141.01971	1.0
147.04469	2.3
149.02431	15.0
157.01404	8.9
161.02391	2.0
163.03960	1.2
164.04800	12.3
169.01427	5.2
174.01685	19.9
175.02386	3.0
190.02678	1.3
191.03499	1.0
201.33636	0.9
205.04929	1.7
223.06119	9.4
277.05637	39.9
278.06079	1.2
300.99707	2.0
337.07739	99.2
338.08112	2.8
345.15576	1.2
391.02795	1.2
467.02936	0.9
483.11584	4.8
543.13495	100.0
544.13751	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47502	1.2
57.03435	5.5
59.01378	19.4
61.56909	1.2
61.98830	12.0
69.03466	3.2
71.01382	17.3
71.92567	1.3
73.02927	3.7
81.50713	1.5
83.01399	1.4
83.05019	1.9
85.02947	9.8
89.02426	4.9
95.01366	1.7
99.00848	3.2
101.02433	9.6
111.08149	8.5
113.02426	7.1
119.03477	1.8
161.04524	3.5
165.12842	92.4
166.13164	2.5
181.12306	1.9
183.13893	70.7
191.10736	1.5
209.11841	11.1
227.12862	8.2
231.06815	1.4
325.18964	1.7
331.17578	1.5
434.60446	1.3
441.33600	2.2
480.31268	1.3
503.33826	10.0
505.32397	3.0
515.95251	1.4
541.30145	100.0
542.30701	8.5
543.13806	1.7
548.80103	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	541.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01383	3.9
61.98829	1.9
71.01370	2.7
73.02932	0.6
78.10135	0.3
83.01371	0.4
85.02959	1.1
89.02442	1.0
101.02435	1.4
113.02448	1.0
115.59878	0.4
165.12856	4.8
181.81708	0.3
183.13890	100.0
184.14275	3.1
227.12898	2.8
300.99948	0.4
321.01846	0.4
461.39511	0.4
465.00610	0.4
503.33670	1.6
523.28986	0.5
541.30164	56.4
542.30536	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	541.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.4
57.30570	0.8
58.00588	0.9
59.01377	23.0
61.98829	2.1
69.03451	2.4
69.32165	6.2
71.01383	14.0
71.05016	0.9
72.99309	1.0
73.02932	1.6
83.01360	1.2
83.05018	1.5
83.19855	0.8
84.42469	0.7
85.02958	4.6
89.02439	9.0
96.07594	0.9
98.20721	1.4
101.02431	6.8
111.08154	11.4
113.02454	4.3
119.03468	3.6
143.03505	1.0
161.04530	0.9
162.01402	0.8
163.11269	1.2
165.12840	100.0
166.13206	2.9
181.12357	2.7
183.13893	57.5
184.14215	2.1
191.10732	2.5
197.15430	2.8
209.11806	9.2
227.12859	5.8
362.03723	0.8
541.30176	84.6
542.30371	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	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95260	0.6
55.95235	0.7
56.56412	0.7
59.01365	1.3
61.98824	2.7
69.03445	2.8
69.87032	1.6
69.87440	2.4
79.01878	0.9
83.01395	1.4
85.02977	0.8
94.28622	0.7
95.01396	1.6
97.02947	2.1
98.20055	1.1
107.01398	1.7
123.00893	7.4
123.33798	0.7
124.01671	22.2
125.02458	55.8
126.02809	0.8
137.02431	1.3
137.84224	0.8
147.38545	0.7
149.99591	30.9
151.00302	1.6
165.12814	1.9
168.00644	58.6
169.01447	6.3
183.13914	4.9
208.58920	0.7
227.12820	0.9
228.42265	0.8
260.73819	0.7
261.60287	0.7
302.09412	0.7
317.13992	1.1
331.06564	3.0
523.18176	2.1
541.19238	100.0
542.19708	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	541.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76842	0.5
59.01381	1.2
61.98822	2.3
69.03450	1.6
69.21298	3.1
69.21721	1.6
71.01399	0.5
79.01884	0.5
81.03459	0.9
83.57847	0.5
95.01398	1.0
97.02948	1.4
98.19878	1.1
101.89548	0.5
107.01389	0.6
113.16768	0.4
123.00871	2.1
124.01652	3.5
125.02444	97.8
126.02795	1.4
137.02498	0.5
139.00348	0.7
165.12878	1.0
167.03465	0.7
168.00645	6.4
169.01416	100.0
170.01746	2.1
183.13879	4.3
227.12848	3.5
275.12845	0.6
287.07748	4.7
293.13867	3.7
313.05673	0.9
331.06680	14.6
331.10458	1.0
371.17056	1.2
417.09818	0.6
439.47397	0.5
497.20255	16.2
498.20432	1.7
541.19214	32.1
542.19531	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	541.2286
Annotation	Nudifloside C
Peak:m/z	Relative Intensity
55.72117	0.4
59.01388	2.5
60.99300	0.8
61.98815	1.2
67.01893	0.6
69.03447	0.4
70.24634	0.3
71.01384	2.9
72.99324	0.7
73.02959	1.3
75.00871	0.4
79.01889	1.2
83.01388	1.3
84.28667	0.4
85.02955	2.1
87.00841	0.5
88.98803	5.3
89.02465	0.5
94.98686	0.4
95.01397	2.7
97.02984	0.5
98.20746	0.9
101.02431	1.9
107.01389	3.4
110.00114	0.5
111.00875	2.0
113.02456	1.1
114.09764	0.3
119.37868	0.4
119.43987	0.3
123.00893	12.0
124.01682	1.1
125.02444	13.8
127.00373	0.8
135.04434	0.5
136.98837	1.0
137.02483	0.3
139.00374	5.8
139.04021	0.6
140.01157	2.7
141.01987	1.7
145.02943	0.5
151.00375	9.6
151.03998	0.6
153.01947	1.4
161.02429	1.3
163.04074	0.7
168.00621	2.9
169.01421	20.5
181.05162	0.5
190.18359	0.4
211.02405	1.1
227.12570	0.4
247.42760	0.3
271.04654	0.9
301.00027	0.7
313.05588	1.6
348.41190	0.5
541.22919	100.0
542.23389	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	540.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74213	0.4
59.01381	2.4
61.98829	100.0
63.49387	0.4
69.32040	1.0
69.32452	2.5
71.01393	1.0
87.00883	0.5
101.02444	0.5
113.02398	0.5
121.02959	1.1
125.02470	1.4
137.02454	0.8
145.03023	0.5
149.02425	2.3
150.02846	1.1
161.02414	0.8
166.06296	2.2
167.06741	1.2
169.01460	1.8
179.03607	0.4
181.08707	1.8
182.09003	0.9
253.30656	0.4
257.08316	0.4
265.13217	0.4
325.70456	0.4
358.13971	0.5
385.93121	0.4
458.28384	0.5
477.13583	0.8
525.21082	0.5
540.22784	3.0
541.18982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31507	0.4
61.98829	100.0
70.27180	1.6
75.29922	0.4
81.37549	0.4
86.10528	0.3
95.23756	0.4
119.37215	0.3
122.58562	0.3
150.99910	0.4
164.45990	0.4
175.42590	0.3
181.81433	0.4
193.46902	0.3
213.95616	0.4
219.57257	0.5
287.85254	0.4
455.35269	8.0
456.35553	0.5
540.33026	61.1
541.33435	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	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69620	1.2
54.75809	1.3
57.03434	1.4
59.01384	7.4
61.98820	2.0
69.03433	2.2
71.01392	3.7
73.02956	2.3
79.01911	1.8
80.96506	1.5
89.02457	1.7
92.14247	1.5
93.40388	1.5
95.01401	2.7
97.02996	1.6
101.02422	6.4
107.01404	11.9
110.42505	1.2
111.08193	2.2
113.02459	1.9
123.00900	17.1
125.02448	69.8
139.00343	5.7
151.00346	6.9
153.44534	1.3
160.14421	1.5
161.04526	2.3
165.12845	34.1
168.00620	3.0
169.01428	100.0
179.79517	1.4
183.03076	1.5
183.13893	57.2
184.14262	2.1
197.15437	4.4
207.13892	6.6
209.11841	7.1
211.02417	7.0
225.14922	2.8
227.12888	86.4
228.13196	2.5
229.45605	1.6
251.12857	11.3
269.13907	5.2
279.16733	1.5
293.14035	1.6
299.15036	8.6
313.05670	2.4
329.16013	33.1
331.06793	2.5
359.17361	1.7
376.01620	1.6
389.13089	2.6
389.18137	52.1
390.18686	1.5
481.17319	1.9
506.16724	1.7
523.18213	4.3
541.19232	88.3
542.19696	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	540.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35598	0.3
59.01366	0.6
61.98830	100.0
69.03432	0.5
70.33214	1.1
95.01416	0.4
98.20060	0.4
118.71519	0.3
123.00851	0.7
123.87386	0.4
124.01669	1.3
125.02441	5.6
137.71442	0.4
147.32916	0.4
149.99602	2.2
153.01958	0.4
168.00648	4.1
169.01433	4.7
187.69783	0.4
235.44394	0.4
278.67505	0.4
347.70914	0.4
501.78168	0.4
518.22491	0.5
541.19220	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	540.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85868	0.8
58.00617	0.8
58.49316	0.8
59.01379	1.6
61.98822	4.4
68.17795	1.0
70.79903	1.5
71.01393	2.1
72.00910	12.8
78.95907	8.1
84.52354	0.8
87.00881	2.2
94.20776	0.8
96.96964	1.0
101.02435	1.3
103.05531	1.3
110.95501	0.8
113.02433	0.9
121.02915	1.0
125.02399	1.3
133.03033	0.8
134.04677	1.2
147.04518	39.9
149.02441	11.1
150.03214	16.8
158.92523	1.6
161.02402	1.8
161.04575	2.0
162.03101	1.7
164.04822	5.9
164.07155	100.0
165.05568	41.8
165.07237	1.7
165.07538	1.8
177.05428	0.9
180.04254	1.8
195.06612	18.0
258.34659	0.9
272.95731	1.3
315.07333	1.0
327.10846	12.3
328.04462	1.1
357.11917	1.0
395.53223	1.0
395.83722	0.9
486.88629	0.9
540.05249	2.0
541.05756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75851	0.4
57.03449	1.3
59.01380	4.1
61.53474	0.4
61.98831	100.0
65.00336	0.8
71.01383	2.9
71.53806	0.7
72.99361	0.5
73.02939	0.8
77.64015	0.6
80.20744	0.5
81.03458	0.8
83.01401	1.6
85.02948	1.1
87.04515	4.8
89.02448	1.0
96.59264	0.5
97.03011	0.6
101.02442	1.6
107.01402	3.7
108.35380	0.4
113.02511	0.8
121.03014	0.8
124.01660	0.6
124.80441	0.5
125.02446	15.7
125.03328	0.8
126.02788	1.8
137.02489	1.0
138.35318	0.5
145.02997	0.8
149.02525	0.7
151.00369	13.9
151.04012	0.7
161.02464	0.5
161.04514	0.7
165.12877	0.6
168.00615	0.7
169.01425	19.9
170.01761	3.3
183.13942	0.7
193.01357	0.7
211.02444	0.6
223.56636	0.6
271.04620	0.9
340.09100	0.6
368.43164	0.5
420.02606	0.5
430.72406	0.5
452.22342	0.8
453.29807	0.5
477.22455	0.5
540.16382	0.9
541.19269	15.8
563.35992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	9.0
70.85822	16.1
73.16720	6.7
139.55887	6.0
142.85127	7.0
180.70627	6.3
192.45268	7.3
217.16902	6.4
405.21097	7.8
469.33163	46.6
482.69672	6.7
503.33426	15.0
539.31433	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	539.3142
Annotation	Panduratin B
Peak:m/z	Relative Intensity
57.39098	3.7
59.01366	5.5
61.98823	21.8
62.30730	3.8
64.10775	3.9
69.28667	40.2
74.75076	3.9
305.69128	4.4
323.15332	5.6
539.31396	100.0
540.32062	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	540.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80470	1.2
59.01373	6.2
61.98831	11.6
71.01386	4.6
72.19366	1.2
79.70519	1.0
85.02948	2.8
89.02449	2.2
90.00549	1.2
93.03449	1.7
96.78831	1.1
96.95961	1.6
98.19861	2.6
101.02432	2.8
107.01366	3.4
110.14342	1.2
111.00880	1.3
112.66105	1.2
112.74866	1.2
113.02453	2.6
117.03461	2.1
119.05029	20.4
121.02966	1.8
123.00880	13.2
123.04492	2.5
125.02445	26.9
133.06569	7.0
135.04501	2.0
139.00397	5.7
140.01117	1.8
145.02940	18.5
150.90581	1.3
151.00365	8.7
153.01923	1.5
153.05522	2.6
161.02443	7.2
161.06085	13.1
162.02829	1.8
163.04002	23.7
164.04855	1.9
167.07123	3.1
169.01410	40.0
170.01782	1.6
177.05495	5.5
179.03462	4.7
179.07162	2.3
180.07468	1.8
194.05849	2.0
205.05046	13.6
209.08139	6.8
210.08501	5.0
211.02399	5.3
235.06065	4.1
241.42894	1.4
253.03810	1.4
253.89653	1.3
265.07114	10.5
313.12912	2.6
314.13211	3.1
350.29950	1.3
417.08173	2.2
477.10239	100.0
478.10388	8.1
539.21643	1.3
540.21625	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	540.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34286	1.4
59.01381	8.4
61.98828	60.4
62.21772	1.2
69.51896	1.3
69.52225	9.0
71.01395	4.5
75.00874	1.6
83.04962	1.4
85.02964	3.2
89.02444	1.4
95.01389	2.3
101.02452	4.6
107.01391	5.9
109.06564	1.6
113.02437	2.8
119.52094	1.3
123.00878	10.6
124.01709	1.4
125.02447	37.9
127.00372	1.5
128.28131	1.0
135.04564	2.3
139.00360	4.3
139.04005	1.4
140.01118	1.8
148.05295	12.2
151.00368	7.6
158.48750	1.2
161.02464	2.5
163.03969	1.6
163.07649	6.5
168.00627	4.8
169.01413	57.0
170.01784	2.0
227.03487	1.3
254.09428	1.6
304.25943	1.5
313.05637	13.8
477.13989	100.0
477.86539	1.2
478.14313	6.3
539.35388	3.7
540.18121	2.3
540.36011	2.0
541.19104	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	539.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	14.0
61.98830	79.0
69.40840	35.8
69.41267	35.2
142.32736	8.3
425.10553	9.5
427.60895	8.9
503.33945	100.0
539.30658	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02444	1.9
54.12328	2.1
54.76662	2.1
59.01361	8.4
60.99301	13.6
61.98826	11.4
66.74808	2.5
69.20834	23.6
71.05029	18.1
72.24474	2.1
78.46394	2.3
98.19832	4.0
114.47545	2.9
205.15926	3.5
297.81039	2.8
321.22125	2.8
355.26218	5.6
369.27908	8.4
413.26761	3.4
423.32791	18.1
439.32312	10.9
441.33725	83.3
442.34055	6.9
455.31696	6.7
473.32712	28.9
474.33029	3.7
485.32831	21.4
486.42993	2.4
503.33801	100.0
504.34064	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	539.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58276	1.7
50.68219	1.5
57.39557	1.6
59.01377	11.1
61.98836	12.1
69.23277	17.0
71.05014	4.1
75.09634	1.5
98.20611	3.7
131.20229	1.8
131.51552	1.8
136.49513	1.9
154.08443	1.9
174.61287	1.6
185.63327	1.6
259.24460	2.2
263.78915	2.2
387.30545	2.4
423.32458	6.0
441.33804	9.1
457.33310	2.1
467.31561	5.8
485.32721	16.8
503.33777	100.0
504.34134	6.8
539.32410	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	539.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77699	0.7
55.95358	0.7
57.03429	1.2
57.77679	0.6
59.01378	9.7
61.98830	50.3
66.34383	0.7
69.67878	1.0
69.68171	4.3
71.01388	2.5
73.02950	2.8
78.95861	0.8
80.02672	0.8
82.43842	0.6
83.01389	1.2
83.04993	0.7
85.02946	1.9
87.00848	0.6
88.98820	3.1
89.02413	1.4
93.03482	0.8
98.19859	0.9
101.02441	1.6
107.01443	0.8
108.02174	37.4
109.06639	1.0
111.08171	1.3
113.02438	0.8
117.03464	1.0
119.04993	0.9
121.02978	1.0
122.03735	1.4
123.03630	1.0
123.04530	16.6
125.02444	1.1
126.29197	0.6
133.02943	0.9
135.04478	1.3
137.02431	1.5
145.02934	2.2
151.04012	0.9
152.01154	73.6
153.01549	0.9
161.02438	1.5
161.04567	0.8
163.04063	0.8
165.12846	11.6
167.03497	100.0
168.03835	1.7
169.01436	0.7
183.13914	12.7
189.12788	0.9
195.13870	0.8
197.15463	0.7
197.45120	0.8
201.37953	0.8
205.05090	1.7
207.13940	1.4
209.11827	2.0
221.15489	2.6
227.12904	14.8
231.13947	1.5
233.11838	3.0
249.14951	2.6
251.12900	6.4
265.14438	3.2
269.13962	2.7
275.12924	4.4
293.13934	29.9
294.14407	1.4
311.15048	1.7
329.08777	1.7
353.15897	0.9
371.17075	9.7
444.56232	0.9
539.22113	2.7
539.32916	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	539.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93999	1.5
55.01885	1.7
58.00603	4.0
59.01381	100.0
62.97435	1.6
69.18930	1.9
69.82898	6.3
69.83315	3.4
71.01384	66.7
72.99306	3.1
73.02933	5.3
75.00861	3.7
83.01400	3.1
85.02943	14.3
87.00870	5.8
89.02445	82.6
95.01385	6.5
101.02441	35.8
108.02216	3.2
113.02451	29.5
119.03506	34.6
121.02975	10.2
122.03732	6.7
123.04493	2.9
131.03505	2.4
133.02950	3.9
135.04517	5.6
143.03497	7.4
145.02968	4.3
146.03679	2.0
149.02466	16.7
149.04509	4.6
150.03239	58.0
151.03848	1.9
161.02435	5.1
161.04504	4.8
162.03227	51.1
164.04800	5.3
165.04175	3.2
165.05573	49.2
166.06343	18.6
177.04095	3.1
177.05576	43.7
177.07124	2.5
179.03465	4.0
179.05667	12.7
180.04300	5.1
181.08681	10.9
190.89677	1.5
195.06619	30.6
314.11526	2.7
329.13831	5.4
335.07700	3.1
343.14139	7.9
391.14615	1.6
491.19241	55.9
492.19540	3.3
513.01630	2.0
539.21381	8.1
559.55573	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	539.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35739	1.2
57.03443	3.3
59.01114	1.6
59.01383	15.7
61.98835	17.4
62.56394	1.2
69.03458	3.0
69.25866	3.7
69.26287	7.9
71.01012	1.9
71.01379	20.7
73.02950	8.1
79.18314	1.3
81.03444	2.3
83.01377	2.6
83.05035	2.8
85.02955	10.1
87.04507	4.8
89.02441	1.6
93.03466	4.3
95.01357	1.8
97.02969	2.5
98.03696	1.3
98.19855	2.3
99.00874	1.6
99.04485	4.5
101.02462	6.7
108.02188	19.2
109.02964	15.1
111.08171	7.2
113.02445	9.0
121.02960	4.9
121.06560	1.2
122.03751	96.5
123.04543	100.0
125.02425	5.0
135.04480	3.5
137.02466	12.5
137.06050	2.0
143.03421	1.6
149.02379	1.7
149.06067	2.0
161.02426	2.6
161.04549	10.0
165.05571	3.7
165.12852	63.4
166.13187	1.5
169.01434	7.1
177.05573	1.9
181.08583	1.7
183.13904	57.1
184.14270	1.4
207.13864	2.2
209.11815	7.9
221.15457	2.6
223.13399	1.6
227.12900	16.1
233.11816	1.9
249.14970	1.6
251.12883	5.2
265.14404	2.9
269.13895	1.6
275.13123	2.4
285.09790	6.1
293.13889	13.0
311.15054	1.9
329.08804	2.4
344.89737	1.2
371.17133	2.7
477.21060	2.5
495.22330	57.4
496.22629	4.4
521.20044	3.4
539.21271	79.1
540.21967	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	539.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03427	1.1
58.00595	1.1
59.01109	1.0
59.01381	12.1
68.89108	0.7
69.16666	5.3
69.17088	2.4
71.01384	12.9
73.02937	5.2
75.00862	1.3
83.01397	3.5
85.02953	7.5
87.00877	2.0
89.02432	2.2
90.26571	0.7
93.03429	1.5
95.01373	1.5
98.19920	1.3
99.00902	1.6
101.02435	12.9
101.77511	0.7
108.02208	0.8
108.06977	0.7
113.02428	4.2
119.03513	1.0
121.02945	3.0
122.03744	5.1
123.04511	1.3
133.02959	5.5
134.03728	1.7
135.04504	2.9
136.01643	1.2
145.02870	0.8
147.04471	1.4
149.02438	24.3
149.06061	1.6
150.03223	30.8
151.03726	1.0
161.02411	1.5
161.04546	0.9
164.04749	4.5
165.04189	1.5
165.05568	29.6
166.06343	5.3
167.07037	1.3
180.04289	1.8
181.08652	5.8
195.06625	12.2
217.29329	0.9
283.09763	0.7
290.93054	0.7
314.11456	3.8
315.12512	1.2
329.13913	11.0
343.14120	12.1
391.13989	1.5
491.19217	100.0
492.19714	6.5
539.21533	15.1
540.21637	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	538.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99154	0.2
59.01377	0.7
61.62629	0.2
61.98830	100.0
67.18624	0.3
67.27694	0.2
70.54241	0.6
73.16154	0.3
78.35403	0.3
80.29811	0.2
115.07178	0.3
181.72888	0.2
183.27403	0.2
381.55219	0.3
538.30353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89153	1.0
59.01377	7.1
61.98830	100.0
63.56665	1.0
69.50082	5.4
69.50489	2.4
90.36815	1.2
156.60239	1.1
160.99893	1.2
201.32759	1.0
212.73846	1.3
225.13248	1.2
272.82504	1.2
301.14542	1.2
532.40576	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	539.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26363	0.8
55.01839	1.1
57.03421	0.9
58.00581	1.0
59.01379	52.7
61.98816	2.2
62.93450	0.8
69.44673	3.0
69.45094	3.3
71.01012	1.0
71.01382	14.2
72.99292	0.9
73.02916	2.6
75.00840	2.5
75.53196	0.8
81.08342	0.9
83.01394	2.0
85.02938	4.5
87.00848	0.8
89.02439	11.3
94.36880	0.9
95.01361	2.6
96.95973	3.6
97.02910	1.4
101.02431	8.5
107.01400	4.4
111.00858	1.9
113.02404	4.0
119.03516	4.2
123.00883	8.8
125.02444	14.9
126.02724	0.9
129.01884	1.6
135.02953	1.7
135.04456	3.3
136.98705	0.8
137.02460	1.2
139.00311	3.2
139.11230	1.4
150.03166	2.7
151.00323	5.2
153.01880	2.1
161.02377	1.5
163.11275	4.2
165.01816	3.7
165.05492	2.8
168.00526	2.5
169.00061	1.4
169.01416	20.0
175.19434	0.9
177.03961	3.9
179.05589	1.3
180.04156	3.2
181.04970	1.9
181.12296	1.2
181.82179	0.8
183.10167	2.5
195.06485	4.0
207.10213	8.0
211.02451	7.4
211.05989	1.9
225.07585	3.1
225.11137	1.9
243.12196	2.6
271.04636	8.1
328.11414	1.0
331.06393	1.3
344.87234	0.8
361.14670	1.0
373.12540	3.7
379.04440	0.9
387.16608	40.1
388.16769	1.9
403.15860	1.1
419.19858	1.0
421.16556	2.7
474.55759	0.9
479.15125	3.9
491.18878	3.5
521.16394	2.9
539.17487	100.0
540.17566	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	538.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34783	0.7
59.01394	6.5
61.98831	45.4
71.01382	3.0
73.02946	1.0
75.00890	0.8
75.78255	0.7
78.47662	0.6
85.02953	1.2
89.02455	4.9
91.00390	0.7
101.02448	2.5
109.02853	0.8
113.02456	0.8
119.03504	1.8
122.02210	0.8
125.02418	1.1
133.02960	21.5
135.04526	14.4
137.02559	0.8
144.40793	0.7
151.06178	1.4
161.02443	100.0
162.02754	2.2
169.01408	1.0
177.05560	0.9
179.03488	16.3
179.05272	0.9
179.05719	0.8
191.05589	1.2
206.64874	0.7
209.66376	0.8
221.04517	2.4
281.06653	2.0
300.99994	1.3
335.07684	2.4
378.49249	0.8
475.14581	87.4
476.14856	6.7
501.96115	0.8
539.13727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01699	0.7
61.01821	0.4
61.98832	1.7
70.38605	1.1
75.84888	0.3
138.61644	0.3
233.10477	0.3
301.75467	0.3
479.42734	0.4
501.32336	0.7
508.87021	0.3
537.33606	3.2
538.34045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76771	0.8
57.03451	1.2
59.01376	8.6
60.99300	0.7
61.98829	100.0
62.25632	0.7
69.03442	1.3
71.01369	3.7
71.05025	1.8
72.46586	0.7
73.02953	1.2
75.00876	1.3
83.01405	1.1
85.02953	2.4
89.02451	2.5
93.03457	25.1
94.03821	2.5
97.03004	1.3
98.19933	1.9
101.02466	2.8
113.02467	1.5
121.02953	1.3
123.04569	1.2
125.02448	2.2
127.01720	0.7
135.03035	1.4
137.02444	48.2
138.02786	0.8
139.04013	1.3
145.02945	2.5
146.03300	1.1
159.03018	1.5
160.01709	1.4
161.02434	2.2
163.04025	1.0
165.01923	3.5
166.02312	1.5
167.03531	2.2
169.01443	2.8
173.09804	1.1
175.04048	2.2
179.03389	0.8
183.13910	2.9
184.14275	2.0
227.12930	1.0
228.13348	1.1
256.47525	0.8
300.99780	1.6
337.09338	0.9
375.27573	2.2
376.28137	1.0
393.27835	1.3
409.31100	5.0
410.31488	3.2
419.19858	0.8
423.29300	0.9
425.30670	1.8
427.32333	0.8
457.33398	3.2
458.33389	1.1
475.12711	2.2
475.34384	12.1
476.34592	9.3
490.32837	0.9
493.35464	2.4
520.33459	1.1
537.33441	7.0
538.06891	3.6
538.22748	3.2
538.33643	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	538.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76771	0.8
57.03451	1.2
59.01376	8.6
60.99300	0.7
61.98829	100.0
62.25632	0.7
69.03442	1.3
71.01369	3.7
71.05025	1.8
72.46586	0.7
73.02953	1.2
75.00876	1.3
83.01405	1.1
85.02953	2.4
89.02451	2.5
93.03457	25.1
94.03821	2.5
97.03004	1.3
98.19933	1.9
101.02466	2.8
113.02467	1.5
121.02953	1.3
123.04569	1.2
125.02448	2.2
127.01720	0.7
135.03035	1.4
137.02444	48.2
138.02786	0.8
139.04013	1.3
145.02945	2.5
146.03300	1.1
159.03018	1.5
160.01709	1.4
161.02434	2.2
163.04025	1.0
165.01923	3.5
166.02312	1.5
167.03531	2.2
169.01443	2.8
173.09804	1.1
175.04048	2.2
179.03389	0.8
183.13910	2.9
184.14275	2.0
227.12930	1.0
228.13348	1.1
256.47525	0.8
300.99780	1.6
337.09338	0.9
375.27573	2.2
376.28137	1.0
393.27835	1.3
409.31100	5.0
410.31488	3.2
419.19858	0.8
423.29300	0.9
425.30670	1.8
427.32333	0.8
457.33398	3.2
458.33389	1.1
475.12711	2.2
475.34384	12.1
476.34592	9.3
490.32837	0.9
493.35464	2.4
520.33459	1.1
537.33441	7.0
538.06891	3.6
538.22748	3.2
538.33643	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	537.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51115	0.8
51.24834	0.8
59.01372	1.4
61.98827	1.4
62.68188	0.8
71.52971	1.3
77.42397	0.8
78.95894	1.1
217.47093	0.7
223.10632	0.7
223.56282	0.7
232.84428	0.7
380.82889	0.8
413.71484	0.9
442.70862	0.9
455.35266	100.0
456.35446	6.8
462.78882	0.7
537.35583	56.2
538.35992	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	537.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27907	0.6
59.01382	100.0
61.98833	10.9
65.98978	0.7
71.01392	1.7
71.05029	2.2
71.53174	0.8
75.00896	0.7
75.94778	0.6
78.95910	1.7
79.95766	0.8
95.01422	0.6
101.90336	0.6
108.02221	0.8
109.03014	1.0
109.06657	1.0
111.08187	1.7
119.05013	1.4
125.02470	0.8
130.83946	0.7
133.03023	0.8
137.02478	0.7
145.02982	1.0
146.03349	0.7
151.00383	1.4
152.99669	1.4
162.01512	0.7
163.04068	0.6
165.12868	0.9
171.10442	0.6
183.13924	1.2
197.11937	1.0
210.29855	0.7
227.12933	1.6
228.13264	0.7
234.46718	0.6
255.16051	4.8
271.02649	0.6
271.06366	1.7
307.19394	0.7
309.20853	0.9
356.24939	0.7
363.97696	0.8
391.18936	0.6
441.30212	1.2
457.33484	1.5
459.31259	1.6
475.34341	2.1
477.20364	0.7
477.32626	1.9
483.31509	1.3
493.35626	6.7
494.36160	0.8
501.32224	5.8
522.81165	0.8
537.34595	44.0
538.34888	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	537.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	1.0
61.98826	1.1
69.20812	4.1
74.50863	0.4
78.95901	0.6
91.34703	0.5
92.62450	0.5
98.19852	0.7
102.44870	0.4
107.09354	0.4
108.80117	0.4
117.93907	0.4
131.55034	0.4
157.97728	0.5
165.12885	0.9
197.11928	0.5
401.26929	0.8
401.93494	0.4
537.24384	0.5
537.34430	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	537.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07631	3.3
53.69228	3.4
54.42809	3.3
59.01381	59.8
60.01725	4.0
61.98829	100.0
64.23550	3.3
81.72527	3.2
86.92084	3.4
104.73367	3.9
154.96597	4.1
171.87799	3.7
211.21838	3.8
411.37662	3.6
501.32364	15.6
537.29364	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	537.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31121	6.1
59.01384	88.2
59.35808	5.4
61.98825	100.0
63.97483	6.2
69.28616	49.7
69.59524	5.4
75.66379	5.5
80.63499	5.6
85.68491	5.5
98.19850	11.7
255.23380	6.6
301.92889	5.7
442.16031	5.7
501.31787	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	537.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47559	1.7
59.01377	100.0
60.01712	7.2
61.01794	2.2
61.98830	38.9
70.85952	3.9
78.87219	1.7
86.40301	1.8
109.22662	2.1
173.64792	2.1
201.33678	1.9
267.79422	2.3
396.64423	2.3
477.34872	5.9
501.31982	5.5
537.29419	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	537.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01707	2.3
61.98832	36.0
71.05012	5.5
71.37112	2.3
71.52928	2.9
84.55299	2.4
86.63042	2.4
89.83058	2.3
102.92735	2.7
106.07276	2.5
108.52165	2.6
133.78001	2.4
133.88504	3.2
147.80200	2.3
150.35333	2.6
172.87941	2.4
196.12468	2.5
239.03212	2.8
247.59091	2.4
306.18707	2.6
421.31152	6.5
439.32083	5.2
457.33130	3.3
471.31012	7.0
501.32236	82.8
502.32425	9.4
537.30286	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3437
Annotation	(+)-Milnamide A
Peak:m/z	Relative Intensity
52.92254	0.6
57.03458	0.9
59.01382	22.3
60.62272	0.7
61.98830	6.2
67.30731	0.6
70.38683	1.2
70.39037	1.9
71.01374	1.3
71.05015	3.6
78.95953	0.7
83.05021	0.9
85.02975	1.0
86.56954	0.7
87.00868	1.0
97.06583	0.7
109.02927	1.1
109.06552	0.8
119.05046	1.0
121.02953	1.1
123.08080	0.7
125.02430	0.7
129.03352	0.8
133.03029	0.9
135.04581	0.8
137.02437	1.4
147.04524	2.3
152.93835	0.7
161.02452	1.5
162.02890	0.7
163.04137	0.9
165.01852	1.4
165.05554	3.0
165.12857	0.7
179.03477	0.8
182.22726	0.7
183.14081	0.7
193.16051	1.5
205.05171	0.8
209.15530	2.3
227.12944	0.7
229.05022	0.7
253.14462	6.5
255.16020	17.7
256.16537	0.8
288.76282	0.7
293.13998	0.8
414.60126	0.7
475.34183	7.5
491.34177	1.0
493.35770	1.1
501.32373	1.0
519.33459	0.9
537.34424	100.0
538.34619	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	537.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43945	1.7
56.12699	1.7
57.03437	2.5
58.00595	2.7
59.01375	58.8
61.98826	15.0
69.03469	3.2
71.01379	51.2
71.05033	1.8
71.52808	2.5
72.99309	4.0
73.02950	13.9
75.00875	5.0
78.38720	1.7
83.01386	10.8
84.82993	1.5
85.02953	16.2
87.00874	36.9
87.04504	4.2
88.98788	2.6
89.02442	52.7
95.01379	3.6
97.02943	2.4
97.06603	1.6
97.92570	1.4
99.00880	3.7
101.02436	36.8
111.08152	2.1
112.90616	1.8
113.02451	28.2
116.38799	1.7
117.03470	2.5
119.03489	18.3
119.04996	3.4
123.00880	3.1
125.02464	9.9
129.01912	2.5
133.02959	2.0
135.02956	5.3
135.04558	2.3
137.02483	1.9
138.24033	1.7
139.00412	2.0
141.01897	1.9
143.03528	8.0
145.02921	2.8
147.06633	1.9
149.04581	1.8
151.00444	3.4
151.03973	1.7
160.01633	2.1
161.02388	5.0
161.04526	12.4
163.04073	4.8
165.07643	12.9
165.12872	8.7
169.01450	12.0
175.03983	3.5
177.04076	1.7
179.05637	15.4
179.14285	1.8
183.13889	36.5
184.14398	2.4
191.14314	2.1
195.13887	13.4
197.15454	7.0
201.09819	2.0
202.91081	1.6
207.13858	2.5
209.11703	2.2
209.15488	2.8
213.14946	100.0
214.15285	4.0
217.04810	1.7
223.17023	1.7
227.12813	8.2
227.16502	7.1
237.14940	5.4
249.14969	3.3
255.15941	9.8
267.16159	2.1
298.98184	3.1
299.99185	2.7
301.00024	2.7
315.18195	2.4
323.09857	12.1
325.12961	1.8
327.12958	24.9
329.65384	1.8
341.10855	49.6
342.11514	2.7
375.27399	11.7
475.30145	2.5
477.23239	4.6
493.07910	3.2
493.16589	2.2
493.31317	2.8
537.07629	13.6
537.25293	54.7
537.33508	15.7
538.06915	3.3
538.25641	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	537.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.2
59.01110	0.9
59.01381	11.8
60.99292	1.7
61.98826	7.5
65.00308	1.2
69.03455	1.0
71.01378	5.5
71.05032	1.2
71.53747	0.7
73.02943	1.4
75.00855	1.9
78.95911	0.7
83.01385	0.9
85.02938	1.8
88.98801	8.9
89.02434	5.0
91.01881	2.1
93.03445	4.2
95.01394	0.9
101.02435	2.9
107.42417	0.7
108.02186	0.9
112.98614	0.7
113.02406	1.5
117.03475	0.9
119.01379	5.2
119.03551	0.8
121.02957	4.7
123.04468	0.9
125.02408	2.2
130.11130	0.6
133.02939	1.3
134.03703	1.6
135.02979	0.8
135.04581	3.7
137.01447	1.0
137.02435	11.0
145.02936	2.9
146.03249	1.3
147.00885	7.7
147.04517	1.1
149.02428	11.7
150.03183	1.6
150.90904	0.6
151.03996	1.1
151.76701	0.6
152.01118	1.5
159.04466	1.6
160.05322	1.7
161.02405	3.6
161.05997	1.3
162.02814	1.1
163.04044	5.0
164.04799	9.8
165.01952	1.9
169.01495	1.0
169.05051	1.5
175.00356	30.8
175.07652	1.2
176.00880	0.7
177.01889	1.2
177.05595	1.6
179.07109	1.5
182.39085	0.7
189.01906	0.9
190.02716	77.3
191.03230	2.3
205.05046	75.7
206.05348	2.3
207.02991	1.3
208.03714	0.8
209.04453	1.9
223.06096	12.8
238.06221	0.8
240.58626	0.7
243.06554	2.9
266.05856	0.9
267.06693	1.6
269.08160	1.2
271.04565	1.0
281.08240	1.4
477.19171	6.5
489.19186	10.6
493.31589	2.6
507.11661	0.8
507.19067	3.0
522.21198	3.0
537.23395	100.0
537.31036	4.3
538.23645	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	537.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38409	0.9
57.03423	1.0
59.01383	11.2
60.99312	2.0
61.98834	9.1
69.37041	6.8
71.01390	6.0
71.05032	1.4
73.02934	1.5
73.22094	0.9
75.00849	2.4
85.02947	1.8
87.00838	1.1
88.64975	0.9
88.98801	14.2
89.02444	6.5
91.01891	3.3
91.46889	0.9
93.03458	3.9
101.02439	3.3
107.05019	1.9
113.02423	2.0
119.01383	5.0
119.05051	1.0
121.02955	4.0
125.02395	1.0
134.03738	2.7
135.04489	3.2
137.02432	9.7
145.02934	2.7
147.00880	8.6
147.04570	1.2
149.02467	10.1
150.03206	1.2
151.04018	1.7
152.01140	1.9
155.48103	0.7
160.05254	2.0
161.02425	2.2
162.03265	1.0
163.03999	3.8
164.04788	7.5
165.01967	2.4
169.05188	0.8
175.00369	34.7
175.04065	0.9
175.07643	1.1
176.01204	0.9
177.01868	0.9
177.05612	0.9
179.07156	1.6
189.01950	1.5
190.02716	75.7
191.03290	2.9
193.04993	1.4
194.02083	0.9
205.05054	67.7
206.05380	1.8
207.03082	1.0
208.03709	1.5
209.04547	1.1
211.02380	1.0
223.06119	11.1
243.06560	1.5
259.80664	0.8
267.06644	1.1
281.08206	2.1
345.52289	0.8
352.00961	1.0
477.19083	4.9
489.19113	9.2
493.31592	1.8
507.19501	2.5
522.21118	1.9
537.23407	100.0
537.30829	5.4
538.23639	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78939	0.6
54.26476	0.6
55.01880	1.1
57.03448	0.7
59.01378	21.8
61.98853	1.8
62.96295	0.5
64.37579	0.6
66.62840	0.6
70.38378	2.2
71.01375	14.2
72.99330	1.5
73.02946	1.3
75.00886	2.7
75.02300	0.6
76.72515	0.5
84.50072	0.6
84.99968	0.6
85.02959	3.1
87.00900	1.2
89.02445	20.0
95.01394	1.4
99.00925	0.7
101.02439	6.7
108.02200	1.0
109.02979	1.3
113.02445	5.9
117.03466	2.1
119.03508	6.7
119.05028	0.6
121.02986	1.5
122.03730	1.3
125.02444	2.4
131.03470	1.1
132.02176	2.9
133.02954	39.6
134.03767	4.7
135.02998	1.1
135.03436	1.1
135.04526	22.1
136.01680	0.9
137.02455	2.4
143.03506	1.6
145.02989	4.7
146.03745	1.5
147.03001	1.8
147.04539	1.4
149.02431	2.1
149.04579	1.2
149.06076	4.6
150.03186	4.9
151.03996	1.3
160.01698	2.0
161.02437	100.0
162.03215	5.1
163.04041	4.7
165.01851	1.2
165.04285	0.6
165.05513	3.6
167.07178	1.0
169.01410	2.3
175.04041	2.1
177.04082	1.2
177.05498	6.4
178.02730	1.9
178.81105	0.6
179.03484	19.1
179.05583	6.4
179.07085	1.0
180.04286	4.0
181.08720	0.8
191.07109	1.4
193.05038	6.7
195.05016	1.0
195.06636	8.4
197.11827	0.7
203.77193	0.6
212.04694	1.2
221.04532	6.4
221.07884	0.6
225.07657	1.2
233.78024	0.6
235.06042	0.8
251.05614	5.6
256.03745	1.6
265.07114	0.7
271.09790	1.3
279.06482	0.8
281.06604	9.7
283.09589	1.0
295.08167	1.3
297.07623	1.1
299.09198	1.3
310.08511	1.5
311.09305	4.8
312.09979	2.2
315.08475	1.2
323.07764	0.7
324.09912	1.1
325.10898	0.7
326.11472	1.9
327.08652	5.1
327.12289	1.6
327.88892	0.6
328.08868	0.8
330.11105	3.1
339.12469	5.5
341.08640	4.0
342.10925	2.3
343.10175	1.2
345.13419	9.8
346.13770	0.6
357.13394	17.9
358.13733	1.2
364.73239	0.7
375.14212	1.4
399.35245	0.7
507.18524	1.1
519.14911	32.4
520.15192	2.6
537.15961	21.6
538.16327	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39775	1.6
57.03428	2.0
59.01374	22.1
59.44826	1.8
60.99305	11.3
61.98830	17.7
68.99561	6.2
69.63769	3.9
69.64198	8.3
71.01361	6.8
71.05009	3.2
73.02960	2.6
75.00851	5.0
78.95877	1.8
87.00873	1.9
88.98802	82.6
89.02444	12.1
93.03460	34.4
95.01395	1.8
99.00903	1.6
101.02428	3.5
112.98557	2.7
113.02428	2.9
117.03412	2.2
118.20100	1.6
119.01360	6.8
119.04958	2.1
121.02924	4.7
125.02441	2.6
133.02959	2.9
134.03746	2.3
135.04494	4.3
137.02452	73.9
143.06305	1.6
145.02895	5.3
147.00868	9.7
149.02438	12.8
152.01126	3.7
160.01654	2.7
161.02420	6.4
163.03987	3.7
164.04759	7.5
169.01294	2.5
175.00372	31.4
176.00899	1.9
177.05537	2.2
182.55421	1.9
190.02711	76.7
191.03191	3.1
193.05153	2.0
205.05052	66.8
207.02966	1.8
208.03606	1.9
209.04495	2.2
223.06128	10.1
242.99326	2.0
270.98767	5.3
298.98349	10.8
299.99139	17.7
477.18881	9.2
489.19293	8.3
493.31790	2.1
519.20715	8.5
522.20874	3.4
537.23358	100.0
537.31226	10.0
538.24152	8.7
538.31525	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	537.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86095	1.2
57.03449	1.6
59.01380	9.1
60.99299	15.7
61.98827	5.3
63.64197	1.1
66.68443	1.2
69.03458	10.3
69.11127	1.3
69.54385	5.7
69.54795	2.3
71.01383	11.2
73.02954	3.3
79.01890	5.8
83.01357	1.4
85.02953	4.0
87.04510	1.8
88.98804	100.0
89.02421	8.4
93.03441	1.6
95.01399	2.3
95.01973	1.2
97.02954	5.1
99.00882	5.8
101.02439	4.6
104.22513	1.2
107.01388	15.0
108.02177	27.5
109.02964	4.9
113.02424	4.3
117.03348	1.3
119.05062	1.7
121.02928	1.7
123.00873	3.6
125.02438	9.5
135.00896	18.8
135.04538	2.1
137.02443	3.7
138.05678	1.3
145.02951	3.2
147.00964	1.2
149.99525	1.4
151.00349	6.2
152.01151	61.3
153.01898	2.6
157.08701	2.1
160.01695	2.3
161.02467	3.7
161.04520	2.6
163.04016	4.0
166.05106	1.2
166.19334	1.1
168.00710	2.0
168.99911	1.1
169.01279	2.3
175.00314	4.4
175.03993	2.2
177.01880	1.8
179.03580	1.6
190.02753	8.8
191.05479	1.9
193.05040	1.6
195.10783	1.2
205.05023	8.2
223.06071	2.3
242.05952	5.4
243.06610	35.4
244.07101	1.9
315.07233	4.2
405.11710	9.7
429.10312	54.7
430.10437	2.1
442.46826	1.2
447.09357	1.3
457.33206	4.8
475.34302	3.9
493.31726	2.5
537.07074	2.5
537.16101	14.5
537.23322	13.9
537.31403	5.7
537.65411	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	537.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81609	0.8
57.03455	3.9
58.57031	0.7
59.01383	5.3
60.41507	0.7
61.98841	0.7
62.43092	0.7
62.80473	0.8
62.90944	0.8
65.00318	8.4
70.33244	1.0
70.33589	2.7
71.01382	4.1
73.02934	0.9
75.00901	1.2
79.01897	1.6
81.03470	1.3
83.01398	7.3
85.02953	1.7
88.98809	1.9
89.02437	2.9
97.02918	1.2
98.19979	1.1
101.02429	1.9
107.01398	16.0
109.02939	1.2
111.00925	1.1
113.02452	1.6
119.42569	1.2
121.02939	2.7
122.03673	1.0
123.00885	8.9
124.01653	3.9
125.02444	35.6
131.01352	1.5
135.02998	1.0
135.04536	1.8
136.01636	1.2
137.02432	1.4
139.00359	2.3
139.03992	1.9
141.01932	0.9
147.04477	0.9
149.02449	14.1
149.04489	0.9
150.03227	11.9
151.00366	58.1
151.03966	2.0
152.01064	1.2
153.01857	1.1
160.04053	0.9
161.02432	1.2
163.03975	3.1
164.04767	9.0
165.01823	1.5
165.05586	10.9
167.03465	1.1
168.00639	3.9
169.01424	34.2
170.01765	1.3
175.00345	7.6
176.01054	2.8
177.05513	1.2
179.07138	1.7
180.04236	0.8
183.02953	2.7
190.02721	10.0
191.03500	5.0
193.01443	5.2
195.06618	9.1
201.11354	1.7
203.14168	0.8
205.05055	8.3
206.05803	3.0
207.02983	1.7
208.03749	6.0
209.04544	1.3
211.02502	4.1
221.08179	3.4
223.06097	27.1
224.06444	1.0
237.07455	1.0
250.04778	1.2
265.07208	6.9
271.04639	1.9
273.19626	0.9
295.08286	2.0
311.07684	1.6
312.87766	0.9
313.05667	2.1
325.09229	3.3
331.06613	0.9
353.08862	5.1
371.10739	2.4
375.13525	2.7
389.25607	2.1
419.13498	2.4
537.12445	100.0
537.19354	4.1
538.12830	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	537.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78951	0.9
57.03442	3.2
59.01379	13.3
60.99305	16.5
61.98835	7.5
65.91235	0.9
69.03455	9.9
70.00734	0.9
71.01380	11.7
71.05011	1.8
72.99304	1.4
73.02951	3.9
73.03361	0.9
75.00871	2.8
79.01871	8.1
80.19813	1.0
80.78201	1.1
82.67381	1.0
83.01381	2.3
83.05035	1.7
85.02948	6.7
87.00878	1.7
88.98806	100.0
89.02435	8.8
89.95539	1.1
93.03470	1.1
95.01392	3.8
97.02962	8.9
97.06580	1.9
99.00892	9.0
101.02443	5.7
102.92366	1.0
105.43515	1.1
107.01395	18.7
108.02174	31.2
109.02969	6.9
109.39636	1.0
113.02438	4.1
119.01411	1.4
119.05003	1.7
121.02940	2.8
123.00849	3.4
123.08173	1.2
125.02439	13.3
125.23072	1.2
131.03522	1.3
132.60526	1.0
133.02986	1.3
134.03752	1.6
135.00896	26.7
135.04515	2.4
137.02437	2.3
145.02977	7.6
149.02429	4.5
149.99515	1.4
151.00354	9.5
152.01160	81.1
153.01872	3.8
157.08684	8.1
160.01682	2.2
161.02432	3.3
161.04561	2.4
163.04013	3.7
164.04790	3.0
166.05090	1.1
168.00674	1.7
169.01447	2.9
175.00304	5.9
175.04021	3.7
177.01996	2.2
179.03459	1.8
190.02699	15.2
191.05722	1.5
193.05040	1.8
197.05986	2.0
205.05038	16.5
215.07097	1.2
223.06068	3.5
229.05109	1.3
242.05818	9.1
243.06615	46.1
265.51892	1.1
303.36868	1.1
305.21237	2.1
315.07172	4.5
339.89798	1.0
388.06613	1.2
405.11789	10.1
429.10342	70.6
430.10693	2.4
447.22266	2.8
455.31635	1.2
457.33078	3.6
475.29434	9.0
475.35550	1.1
493.20410	1.6
493.31778	7.2
501.13913	1.5
536.32922	1.7
537.15918	18.4
537.23486	20.1
537.31860	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	537.1248
Annotation	6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
59.01368	1.9
61.98812	1.7
64.39798	0.5
67.60371	0.5
69.03455	2.4
69.46313	3.7
69.46715	1.0
71.01376	0.7
74.65225	0.5
75.00863	1.3
79.01899	1.4
81.03457	1.1
82.65673	0.6
83.01386	1.2
87.04513	2.4
88.98809	1.1
93.03425	0.7
95.01385	1.6
97.02939	2.0
97.33614	0.5
101.02422	0.8
107.01395	1.2
108.02171	0.8
121.02937	1.0
123.00887	8.8
124.00745	1.0
124.01660	21.5
125.02447	41.2
126.02728	0.6
136.01660	0.9
137.02432	2.2
139.03972	0.8
143.32742	0.6
147.04549	0.7
149.02480	4.7
149.99583	36.1
151.00420	2.8
151.03979	0.7
161.02457	0.9
164.04790	4.2
168.00641	59.7
169.01407	12.3
170.01665	0.5
175.00336	2.1
181.43405	0.6
190.02682	6.7
191.03491	1.6
201.11327	2.7
205.05035	8.1
211.02440	0.6
223.06000	2.7
227.12669	0.6
313.05600	3.6
331.06708	16.0
367.10516	1.4
389.25577	1.1
445.32791	0.9
475.34232	2.3
519.11060	1.4
520.12378	0.7
537.12476	100.0
537.18683	3.6
538.12793	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.3
57.26796	1.4
58.00568	1.4
59.01382	32.5
61.98828	19.5
68.99564	2.6
69.03450	5.0
71.01374	21.2
71.05022	3.4
71.53233	2.1
71.53624	2.0
72.99281	1.8
73.02943	5.4
75.00861	13.3
77.17856	1.6
79.01878	2.0
82.79121	1.7
83.01378	2.3
83.05006	3.7
85.02969	7.7
87.00875	2.7
87.04523	4.0
88.98795	6.8
89.02429	19.8
93.03458	39.3
95.01406	2.2
97.02941	5.5
97.06545	3.4
99.00855	2.8
99.04523	1.9
101.02428	7.8
107.01396	3.2
107.05038	1.8
108.02174	40.5
109.02949	18.4
109.06618	1.8
109.18787	1.7
111.00858	2.4
111.08111	1.8
112.98520	1.7
113.02425	6.5
117.03455	21.2
118.03777	2.5
119.05032	19.8
120.05317	2.1
121.02959	4.9
123.00891	3.5
123.04513	3.9
125.02451	17.8
131.03505	2.5
132.02155	18.1
133.02971	3.9
134.03751	13.6
135.00856	6.2
135.04523	4.3
137.02443	54.1
139.00383	1.6
145.02951	100.0
146.03297	16.5
147.03438	3.0
147.04573	2.8
149.02406	5.0
149.06062	6.3
150.03207	2.8
151.00443	3.2
151.04016	1.8
152.01151	68.6
153.01910	13.0
157.08685	15.6
160.01651	69.2
161.02435	10.7
161.06065	5.0
163.04016	22.1
164.04443	2.5
165.05583	2.0
167.03523	1.8
168.00636	4.3
169.01411	6.6
169.08661	2.4
174.03270	1.9
175.03993	87.2
176.04408	2.3
177.04070	2.3
177.05446	3.1
178.02730	2.1
187.04068	2.0
187.07698	2.2
190.02699	7.9
193.05055	18.2
202.02756	3.3
205.05078	10.3
217.05000	9.7
223.06012	2.1
227.12891	2.8
233.06624	3.6
235.06082	8.2
243.06540	6.4
247.06155	2.2
265.07187	8.3
270.38696	1.8
271.06107	3.6
285.03986	2.2
289.07037	1.6
293.08685	2.8
300.99606	2.0
305.21112	4.8
307.08200	36.5
308.08606	2.2
325.09070	3.7
328.13513	1.9
337.09210	2.4
357.15430	2.0
367.26346	2.1
399.09329	23.2
400.64856	1.7
417.10391	7.2
429.10309	28.5
441.11832	4.0
455.31479	2.5
457.33298	4.0
472.38718	1.6
475.30475	16.6
475.34744	8.1
476.30511	1.9
493.20404	1.9
493.31424	13.7
494.32040	1.8
501.14047	37.6
502.14786	2.9
507.19901	4.1
536.25720	9.6
536.32825	3.4
537.12427	60.7
537.23322	14.0
537.32953	13.0
538.12524	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	537.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01377	5.4
60.99289	0.9
61.98824	5.4
65.68664	0.7
69.03441	2.6
71.01376	3.8
73.02912	1.0
75.00871	2.2
79.01853	1.0
81.03431	1.2
83.01396	1.3
85.02946	2.1
87.00883	1.0
87.04502	3.8
88.98811	6.0
89.02428	2.1
93.03468	1.4
95.01380	3.0
97.02961	2.5
98.19733	1.0
101.02456	1.5
103.49705	0.8
107.01367	2.8
108.02183	1.0
109.02970	1.2
121.02955	2.9
123.00887	12.3
124.01663	20.8
125.02445	50.0
126.02812	0.9
126.28081	0.7
135.03000	0.9
135.04527	0.8
137.02422	3.2
139.00410	1.0
139.03966	0.8
141.01997	1.1
147.04501	0.9
149.02423	6.4
149.99583	36.7
151.00357	6.1
151.04109	0.8
152.01129	0.9
153.01974	0.8
161.02415	2.6
163.00372	1.0
163.03992	1.3
164.04762	5.0
165.04021	1.1
167.03444	2.0
168.00638	63.1
169.01419	23.9
175.00327	2.3
175.04027	0.9
179.03464	1.3
179.07118	0.8
183.13942	0.8
190.02690	7.0
191.03555	1.4
193.01477	1.2
201.11343	0.9
205.05037	5.9
209.04454	1.0
211.02513	2.7
216.85966	0.8
219.84642	0.7
223.06084	2.9
227.12935	1.2
229.51743	0.9
271.04520	3.6
287.07690	0.8
301.00095	0.8
304.59854	0.8
313.05634	4.4
323.07391	0.8
331.06717	16.7
357.13953	0.8
367.10098	1.2
373.36603	0.8
389.25397	2.6
426.17148	0.8
438.84470	0.8
447.09167	2.5
475.34286	2.4
519.11572	2.0
519.33148	0.8
537.12500	100.0
537.19861	16.7
537.34930	8.2
538.12689	6.1
538.19727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	39.6
60.01713	2.9
61.01797	0.7
61.98830	100.0
69.21951	2.3
69.22368	4.4
71.01332	0.8
96.96048	0.9
131.57161	0.7
191.37328	0.6
210.76665	0.9
288.61102	0.7
311.82678	0.8
352.31607	0.7
390.93323	0.7
476.34592	2.2
515.21948	0.8
536.35944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09200	1.3
59.01378	66.9
59.96249	1.2
60.01709	6.0
61.01818	2.1
61.98827	100.0
64.98673	1.3
69.63857	1.5
70.68419	4.1
88.37659	1.4
105.47417	1.4
111.08881	1.5
123.62137	1.5
169.54523	1.6
426.53333	1.6
463.02518	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	536.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.5
61.98828	100.0
67.02274	1.4
71.52930	3.8
78.95890	1.9
152.99541	2.0
378.61093	1.6
447.57611	1.7
529.54993	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.7
60.99305	15.8
61.29379	1.3
61.98818	2.0
64.81951	1.4
66.98964	1.3
69.45768	7.0
69.46172	2.8
71.01367	2.1
78.11934	1.3
84.02002	1.3
85.46251	1.3
88.98805	100.0
92.30942	1.6
94.93777	1.5
101.02426	2.7
114.75269	1.4
121.39226	1.3
123.00927	1.6
124.90785	1.5
125.02446	5.3
133.02974	3.4
137.02528	1.4
149.02454	1.4
151.00365	3.3
161.02432	4.4
162.02782	1.8
164.91052	1.3
169.01411	5.3
179.03458	1.6
201.11391	2.4
223.06190	2.2
227.03491	3.7
255.03014	4.0
284.03201	3.6
285.03860	2.7
348.66422	1.6
389.25629	1.8
447.09430	10.0
537.12195	4.8
537.19611	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	537.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.6
60.99308	18.6
62.04333	1.6
63.64835	1.3
65.57627	1.1
70.96191	2.9
71.01377	1.8
80.50612	1.5
82.81490	1.5
88.98801	100.0
109.02998	1.6
125.33875	1.6
127.58575	1.4
151.00359	7.1
157.78761	1.5
171.82823	1.7
186.79022	1.5
243.02991	4.1
255.02986	10.6
271.02451	21.5
281.72556	1.6
300.02725	43.0
301.03485	31.7
447.09305	63.5
448.09460	1.9
537.18335	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	535.364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.6
58.00591	0.4
59.01377	100.0
60.01712	0.7
61.98827	1.4
68.22950	0.4
69.43872	0.4
70.95760	0.9
70.96095	0.4
71.01383	0.6
71.05033	2.0
73.02955	0.8
75.00866	0.5
76.45187	0.3
83.05034	0.5
85.02930	0.5
93.03454	0.6
97.06629	0.5
101.02397	0.6
107.05000	0.4
111.08184	0.7
119.05023	52.1
120.05347	1.1
121.80563	0.4
124.26755	0.4
125.02403	0.6
137.02431	0.5
145.02870	0.4
161.02399	0.5
163.04002	26.1
164.04344	0.5
165.12808	1.7
168.89592	0.4
169.01404	0.4
183.13901	4.9
189.12750	0.5
203.14409	0.5
207.13899	1.4
221.15550	0.8
227.12886	4.2
231.13956	0.5
233.11806	1.0
249.14978	0.5
251.12869	3.4
253.14409	3.8
265.14398	1.4
269.13864	0.6
275.12805	1.1
287.01660	0.5
293.13889	8.8
294.14114	0.5
335.15048	0.5
336.07578	0.4
371.17114	4.3
413.30792	0.9
455.31900	0.4
473.32773	3.1
475.30533	0.6
491.33768	0.6
535.21729	6.8
535.32422	24.8
536.22113	0.8
536.32776	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	535.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.58764	0.4
60.01710	0.7
67.18554	0.3
69.43924	2.8
82.67569	0.3
142.38049	0.3
170.99240	0.3
209.48524	0.4
284.68484	0.4
310.83762	0.4
379.18164	0.4
535.33148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39312	0.3
59.01379	100.0
59.83775	0.4
60.01709	0.4
61.98834	0.6
69.80127	1.5
78.82386	0.3
79.51176	0.3
104.01480	0.3
106.82781	0.3
140.93654	0.3
179.49548	0.4
193.78447	0.4
503.31036	0.4
520.34680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	0.9
60.19575	0.9
61.98827	2.1
69.23382	4.8
69.23804	3.0
74.63456	0.8
93.32186	0.8
93.77318	0.7
98.19747	0.8
138.26242	0.8
413.18378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31758	0.4
55.01863	0.5
57.03444	0.9
59.01380	4.3
61.98840	2.9
62.49435	0.4
69.51171	2.5
71.01377	2.8
73.02943	1.4
75.00907	0.4
83.01403	0.7
83.65021	0.4
85.02514	0.4
85.02934	1.9
87.00907	0.4
88.33017	0.4
89.04087	0.4
98.20660	0.7
99.00909	0.5
101.02437	1.8
101.06107	0.5
113.02458	1.1
116.92872	0.8
117.03468	24.7
118.03796	1.1
119.05022	9.3
121.02959	0.9
125.02438	0.8
137.02429	0.5
139.11247	0.4
145.02953	100.0
146.03307	3.2
161.02425	0.8
163.04008	9.7
165.12808	0.7
167.03470	0.7
169.01445	0.5
183.08090	0.4
183.13893	1.4
185.06104	0.5
222.94955	0.5
227.07156	2.5
249.95726	0.4
307.08142	2.9
355.25027	0.7
373.26035	3.3
387.16595	0.7
389.18054	4.1
417.21198	0.4
473.32581	1.2
475.17694	0.8
528.47205	0.5
535.25397	52.5
535.31299	2.8
536.25732	4.3
536.32837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03447	1.6
59.01380	100.0
61.98831	43.7
69.03460	0.9
71.01380	13.2
71.05025	1.2
71.53831	0.8
72.99303	0.9
73.02949	5.3
75.00906	0.9
83.01398	2.9
85.02937	5.0
87.00887	1.9
89.02439	6.7
93.03434	0.6
95.01393	0.9
97.02964	1.1
99.00885	1.2
101.02422	8.7
113.02464	3.3
115.92004	0.7
117.03474	2.5
118.03797	0.7
119.03494	1.8
119.05038	1.4
119.08726	1.1
121.02985	0.8
123.08167	0.9
125.02502	1.3
125.65497	0.7
129.01877	1.0
133.02977	2.1
145.01877	1.2
145.02936	9.6
146.03313	3.2
147.03461	1.1
149.02470	1.5
161.02484	5.5
161.04550	0.9
163.04015	1.5
165.12834	2.3
167.03487	2.0
171.10297	3.7
179.03577	1.1
183.13901	4.7
190.22595	0.7
195.13898	2.7
213.14940	1.1
225.06587	0.8
227.12903	3.7
316.52191	0.8
334.70447	0.8
355.24966	4.1
357.19080	1.3
373.25879	16.4
375.20248	4.2
387.16583	1.0
388.17123	1.5
389.17426	4.3
393.28049	2.1
411.29016	1.0
417.21292	15.3
418.21738	1.2
431.19226	1.7
472.13354	1.7
475.34305	43.2
476.34741	3.0
491.29382	1.2
535.24146	9.1
535.31329	92.3
536.31573	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	535.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01380	2.8
60.56271	0.2
61.98820	0.9
67.45054	0.3
71.01379	1.6
71.01784	0.5
71.05024	0.2
72.99310	0.4
73.02953	1.1
75.00889	0.2
83.01383	0.6
85.02930	1.3
87.00876	0.3
89.03991	0.2
99.00883	0.4
101.02470	1.5
102.42941	0.2
105.03436	0.6
113.02446	0.6
115.01894	0.3
115.21758	0.2
117.03465	1.8
119.05020	0.4
121.02955	0.3
123.04530	0.5
125.02480	0.3
132.02159	1.7
133.02956	33.4
134.03654	1.0
135.04515	6.7
137.02405	0.7
145.02940	2.4
161.02435	100.0
162.02785	2.5
163.04042	0.5
179.02103	0.3
179.03529	3.1
205.04906	0.3
375.27362	0.3
401.23184	0.8
425.30405	0.3
473.32602	0.7
491.33871	0.5
535.25415	79.1
535.31592	3.1
536.25745	5.9
536.33673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00606	0.5
53.24710	0.5
56.62295	0.5
57.03445	0.9
58.00592	0.6
59.01379	15.9
61.98830	7.7
69.35450	2.8
69.35859	1.1
71.01384	3.9
71.05025	2.5
72.99316	3.7
73.02957	1.6
73.78087	0.5
75.00867	1.1
77.03967	0.5
83.01387	0.8
83.05047	0.6
85.02953	1.6
85.06592	3.3
87.04507	1.1
88.98781	0.6
89.02451	1.8
91.01915	0.6
93.03492	0.7
95.05051	0.6
97.06593	0.9
101.02442	1.8
103.03372	0.4
105.03471	0.9
107.05035	1.1
109.06624	0.5
113.02465	1.4
113.06069	0.6
115.03948	0.6
117.03458	2.5
119.03441	0.6
119.05011	3.9
120.04490	0.5
121.02976	0.8
122.07243	0.6
123.04551	0.6
123.08138	0.5
125.02474	0.7
132.02165	2.1
133.02959	29.6
133.06583	0.5
134.03746	0.7
135.04535	9.1
137.02417	2.4
145.02959	9.9
146.03288	1.2
147.04608	0.8
149.02419	1.0
149.06059	1.1
151.00388	0.5
159.04634	0.5
161.02443	100.0
162.02745	3.4
163.04007	3.8
164.04787	0.6
165.12842	0.5
169.01476	0.7
169.12436	0.5
175.04012	1.6
177.05574	1.2
179.03497	5.9
205.05090	1.1
215.14636	0.6
221.04465	0.8
221.08214	0.9
227.07161	0.9
227.12958	0.5
228.31116	0.6
235.06108	0.9
265.07150	1.2
307.08261	2.6
313.05350	0.6
323.07959	0.6
324.08109	0.8
367.10400	1.0
391.26315	0.7
393.27963	0.7
407.30048	0.7
409.27310	1.0
411.29166	0.8
425.30643	3.4
437.30927	0.8
443.31754	1.7
455.31851	4.8
461.32825	0.8
469.29337	1.5
473.32809	8.5
474.32910	1.0
475.34204	2.9
491.34174	3.4
535.25391	79.7
535.32574	12.5
536.25909	6.7
536.33173	0.7
561.42957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71830	0.4
55.01884	1.1
57.03448	1.5
58.00591	2.6
58.73473	0.3
59.01377	100.0
59.71968	0.3
60.01722	0.4
61.98832	1.2
69.03432	0.5
69.69192	0.4
69.69496	2.0
69.91966	0.3
71.01379	54.4
72.99316	2.8
73.02945	13.4
75.00875	1.1
81.03436	0.5
83.01380	4.0
84.02148	0.7
85.02946	15.4
87.00845	2.6
89.02440	51.8
95.01376	4.9
96.96004	1.0
97.02946	0.6
99.00869	1.7
101.02440	33.6
102.02768	0.3
111.00835	0.4
113.02444	39.4
114.02770	0.8
115.03944	0.4
115.51488	0.3
117.03547	0.4
119.03497	20.3
125.02425	2.0
129.01889	0.4
131.03493	2.9
133.02914	0.5
135.15356	0.3
143.03487	5.4
145.02910	0.5
149.04524	3.1
153.41183	0.3
161.02380	1.0
161.04544	11.3
163.82320	0.3
169.01440	0.5
179.05592	10.8
203.05498	0.4
212.36096	0.4
259.05954	0.4
313.16370	0.5
331.17419	0.3
344.89285	0.4
401.17899	0.3
475.21793	16.3
476.21930	0.7
477.09723	0.6
493.22842	13.1
494.22787	0.9
535.26758	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	535.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03447	2.4
58.00587	2.1
59.01377	100.0
61.98819	2.0
69.53358	3.5
69.53763	1.8
71.01379	59.5
72.99302	2.8
73.02947	13.7
75.00875	3.5
83.01381	5.7
85.02944	17.8
87.00873	4.6
89.02441	49.4
95.01388	6.9
97.02952	1.0
99.00871	3.2
101.02438	31.9
108.02210	1.5
109.02944	14.7
111.00898	1.4
113.02443	35.0
118.98077	2.1
119.03492	21.0
119.04976	1.2
121.02958	1.0
121.10183	1.3
123.00919	1.3
123.04527	2.3
124.01674	1.2
125.02465	4.4
131.03496	3.3
133.02960	3.5
134.03761	2.4
135.04515	4.1
136.01642	7.8
137.02451	1.0
143.03491	5.9
145.02986	2.0
146.03738	3.6
147.03020	1.9
148.01645	4.0
149.02383	2.2
149.04555	2.8
149.06064	3.3
150.03238	1.5
151.00369	1.7
151.03993	12.3
153.05580	3.5
159.03014	1.1
161.02437	9.0
161.04555	12.4
161.06067	2.4
162.06488	0.9
163.04001	10.9
164.01118	3.7
164.04774	2.8
165.01868	3.9
165.05522	1.3
166.02708	12.2
167.03493	2.0
169.01413	2.1
178.02783	4.6
179.03590	4.1
179.05573	8.0
179.07135	9.7
179.10753	2.0
181.05057	47.7
192.04260	1.0
193.05022	13.4
197.03149	1.1
203.05493	1.0
207.06609	1.4
211.06111	11.1
221.04466	1.6
223.09790	2.7
254.05904	5.3
255.06636	1.6
258.81140	0.9
269.08133	10.1
270.08984	2.7
271.02365	1.8
281.06549	1.4
283.09540	1.2
284.10654	2.0
285.11285	1.7
298.08432	1.2
300.02646	4.8
301.03360	2.5
313.10941	4.5
323.07623	7.7
328.09503	2.7
331.17514	3.3
343.11816	28.8
344.12000	1.5
355.11813	0.9
373.12851	29.0
374.13330	1.6
459.09207	1.4
463.08743	4.9
475.21756	39.9
476.22302	3.7
477.10486	2.5
493.22855	25.2
494.23367	1.6
503.16483	2.0
535.20313	9.0
535.27466	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01379	100.0
61.98821	3.3
63.26590	1.1
69.03458	1.9
71.01349	1.0
71.05035	1.7
73.02946	2.7
83.04999	1.1
85.02958	1.7
89.02455	1.0
91.99307	0.8
96.11823	0.8
97.06601	0.8
101.02453	4.0
101.04011	0.9
105.79965	0.9
108.02187	0.9
111.08114	1.6
113.02439	2.5
117.03468	24.5
119.05026	42.2
119.84313	0.9
120.05379	1.0
145.02953	64.0
146.03267	2.2
159.04503	3.3
161.04623	1.4
161.06053	1.4
162.65919	0.9
163.04012	44.1
164.04391	1.5
165.12845	29.5
166.13188	1.2
179.14293	1.0
183.13889	39.9
187.03935	6.0
189.12927	1.2
197.15500	2.0
203.14465	1.2
207.13878	4.9
209.05302	0.9
209.11809	4.6
221.15469	1.9
225.14920	1.4
227.12881	59.7
228.13231	1.2
229.04999	1.6
231.13828	2.2
232.04852	0.9
233.11868	2.4
237.14998	1.8
249.14905	2.4
251.12910	11.3
263.13043	1.3
265.14465	3.0
269.13846	5.9
275.12811	1.6
293.13943	23.7
299.14999	4.4
311.15085	1.4
325.09329	1.7
329.15985	16.7
371.17130	9.0
372.17520	1.0
389.18198	27.5
390.18613	1.1
457.33133	1.4
473.32657	2.4
475.34219	2.6
505.31372	2.4
535.21954	2.2
535.32483	15.8
536.32849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
59.01378	43.3
60.01712	0.3
61.98833	0.9
66.54915	0.3
69.30399	0.7
69.30805	2.1
70.33400	0.3
71.01388	0.7
71.05020	1.3
71.96922	0.3
72.99274	0.3
73.02959	1.1
73.85641	0.3
77.11041	0.3
82.93467	0.3
85.02978	0.4
93.03456	1.0
95.05006	0.3
97.06549	0.6
101.02431	0.9
109.06577	0.3
111.08155	1.0
113.02443	0.7
119.05025	100.0
120.05358	2.7
125.02398	0.3
145.02940	0.5
163.04007	54.8
164.04330	1.1
165.12848	5.5
177.78206	0.3
181.16243	0.3
183.13902	8.2
187.15027	0.3
189.12833	0.7
191.10738	0.3
191.14493	0.5
197.15376	0.4
203.14392	0.6
205.15881	0.4
207.13968	1.7
209.11763	0.9
221.15532	1.5
223.13400	0.4
227.10739	0.6
227.12878	8.7
228.13284	0.4
231.13829	0.9
233.11795	1.9
249.14900	1.4
251.12866	4.2
253.14526	1.4
265.14392	2.4
269.13870	1.6
275.12775	2.0
293.13934	16.3
294.14221	1.2
311.14905	1.3
313.80121	0.3
325.09283	2.8
371.17099	7.9
473.32471	1.0
475.30310	0.4
491.33658	0.4
535.21692	11.5
535.32526	11.3
536.22046	0.9
536.32898	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01378	21.2
61.98531	0.9
61.98828	8.7
69.03455	0.4
71.01380	4.2
71.05017	2.8
72.99305	0.7
73.02940	1.2
75.00883	0.5
83.01374	0.7
85.02948	1.5
87.04513	0.5
89.02464	2.6
93.03458	21.4
95.01388	0.7
97.02979	0.4
98.20657	1.0
98.95335	0.4
99.00812	0.5
101.02460	2.5
101.06045	0.5
105.03486	0.8
107.01369	1.2
109.02947	0.8
111.00883	0.9
113.02464	1.5
117.03429	1.3
119.03511	1.0
119.05008	1.1
121.02962	2.6
122.03745	0.5
123.00873	3.1
123.04490	0.8
123.08192	0.6
125.02455	6.5
129.05664	0.4
132.02164	1.4
133.02957	28.8
134.03650	0.9
135.04517	9.8
137.02441	55.2
138.02756	0.6
139.00383	1.1
143.03564	0.5
145.02942	2.6
147.04547	0.9
149.02458	3.3
149.06071	1.4
150.03232	1.2
151.00381	2.0
152.01062	0.5
161.02438	100.0
162.02762	2.5
163.03978	1.4
167.03514	0.8
168.00653	0.7
169.01419	9.1
175.03949	0.6
177.04106	0.5
177.05565	1.8
179.03517	7.0
189.05565	1.0
190.06360	1.0
221.04514	2.3
235.06000	0.4
251.05626	2.1
265.07483	0.5
281.06592	3.7
299.99014	1.1
300.99850	1.1
313.05627	5.4
323.08252	0.5
329.10425	0.9
341.08505	0.8
371.25906	0.7
373.18826	0.6
397.11325	4.0
415.12366	3.0
425.30725	0.8
427.32333	0.6
429.30081	0.7
437.30688	1.0
443.31570	0.7
455.31696	4.5
457.33344	0.8
470.42227	0.5
471.31052	0.5
473.33267	3.9
491.34238	2.5
505.18558	1.2
517.20795	2.9
517.32343	0.6
535.14331	4.3
535.21771	46.7
535.32422	15.0
536.15045	0.8
536.22150	4.8
536.32465	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	535.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.9
59.01378	20.1
59.01651	0.8
61.98830	5.8
69.03432	0.4
71.01342	1.7
71.04987	2.0
71.29610	0.6
71.29951	0.7
72.99275	0.5
73.02934	2.4
75.00845	0.7
83.04992	1.8
85.02924	1.4
87.00867	0.4
87.04504	0.5
89.02423	0.6
91.05511	0.5
93.03440	1.9
95.05006	0.5
101.02406	1.4
108.02172	0.6
109.02924	1.0
109.06555	0.6
113.02444	0.7
117.03475	0.8
119.05025	100.0
120.05321	2.1
121.02935	1.4
125.02457	0.8
133.02937	1.5
135.04509	1.4
137.02411	1.8
137.09697	0.5
137.36876	0.5
143.96976	0.5
145.02980	2.4
145.03951	0.5
147.04521	1.2
147.11714	0.5
149.02469	2.1
153.01898	0.6
154.67311	0.4
161.02461	4.0
163.04007	68.6
164.04430	1.7
165.12830	4.2
167.03392	0.5
175.04050	0.9
179.03497	0.6
183.13887	8.5
189.12918	0.8
203.14333	0.9
207.14052	0.8
209.11768	0.9
221.15558	1.2
223.13429	0.6
227.12880	8.8
231.14032	1.7
233.11951	1.5
249.14995	1.2
251.12877	4.4
265.14502	2.1
269.14011	1.2
275.13013	2.0
287.02151	0.9
293.13943	17.9
293.17203	1.0
305.21240	0.7
342.98511	0.5
371.17087	6.2
372.17776	0.7
389.28824	0.8
393.52722	0.6
407.29761	0.5
424.71698	0.5
425.31149	0.7
427.32477	0.6
437.30676	0.6
443.32266	0.8
455.31833	2.7
456.10449	0.5
473.32990	3.0
475.31253	1.6
489.32730	0.7
491.34625	2.1
501.32169	6.2
517.31915	3.6
534.32086	0.5
535.05627	0.5
535.22455	3.6
535.33264	16.0
536.20984	0.5
536.32562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1817
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
52.18157	1.3
54.65842	1.3
57.03441	2.3
58.20606	1.4
59.01382	29.7
61.98843	1.5
71.01391	18.4
71.53107	2.0
73.02944	4.0
75.00887	4.5
83.01383	2.5
85.02941	7.9
87.00874	2.6
89.02441	11.8
95.01408	4.4
96.96027	2.6
97.02913	1.7
99.00916	1.6
101.02455	10.9
101.06097	1.9
108.02158	3.3
109.02946	3.9
113.02453	7.1
117.03461	3.1
119.01416	3.1
119.03525	3.4
119.05046	2.1
121.02985	3.1
122.03745	16.4
123.00839	2.4
123.04524	8.3
125.02444	3.8
132.02243	1.6
133.01942	1.7
133.02956	35.2
134.03755	3.9
135.03000	8.7
135.04526	35.2
136.01660	16.6
137.02440	9.0
138.03223	3.8
139.03973	8.4
145.02943	4.6
147.00836	2.3
148.05104	1.4
149.02428	10.4
150.03218	2.3
151.04019	22.5
152.01132	4.5
153.01930	2.3
159.04468	1.8
160.05336	3.8
161.02441	100.0
161.04597	3.2
162.02916	2.5
163.03976	4.8
164.04817	5.7
165.04019	1.7
167.03465	4.2
169.01440	1.5
175.00369	19.8
175.04012	3.5
175.07748	3.2
176.01123	4.3
177.05577	5.7
179.03505	22.7
179.05058	2.0
179.05627	1.3
181.05046	17.7
183.02983	8.3
184.17679	1.4
187.03979	3.9
187.61627	1.5
188.04845	2.9
190.02702	55.3
191.03421	8.7
196.07423	11.5
203.03490	1.7
203.07205	3.2
205.05043	50.6
206.05490	1.7
209.04645	1.4
211.09726	4.9
221.04558	3.1
223.06145	7.3
237.11418	2.2
265.07364	1.6
310.08475	1.4
323.07700	34.8
324.08005	2.8
325.10773	12.1
337.09528	1.7
353.08786	4.0
355.11932	3.7
358.10526	12.0
367.10284	8.3
373.12894	33.4
374.12979	1.7
417.21707	2.3
473.32712	1.9
476.13214	1.9
491.15628	56.1
492.16199	4.5
493.23236	4.5
503.11655	2.8
535.18329	77.6
536.18616	6.5
557.75262	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	534.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43175	0.3
54.51124	0.3
57.45777	0.3
59.01387	2.1
61.98830	100.0
69.45753	1.8
71.01375	0.9
73.02951	0.5
85.02947	0.6
87.00896	0.4
89.02447	0.6
101.02447	0.4
101.06091	0.5
108.02174	0.7
117.03473	2.6
119.05091	1.7
123.04528	0.6
133.02960	1.9
135.04535	0.6
145.02954	13.1
146.03328	1.1
152.01239	0.4
161.02440	5.1
163.03970	2.1
167.03520	1.8
176.66370	0.3
179.03447	0.5
181.68048	0.4
227.13042	0.7
260.10825	0.3
265.07281	0.7
307.08328	1.1
319.66275	0.3
471.13159	1.6
489.32349	0.4
498.45850	0.3
533.24036	1.4
533.31073	1.3
534.24579	2.3
534.31610	0.7
535.25671	5.4
535.32062	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	535.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98823	3.5
69.03428	4.4
71.01383	64.1
71.51567	5.2
72.12412	3.5
72.99292	4.2
73.02926	10.3
75.00861	7.1
75.23689	3.8
81.03452	4.8
83.01367	5.9
85.02930	17.5
87.00880	8.0
88.73526	3.3
89.02444	76.8
91.01881	11.2
93.03448	13.6
95.01363	6.9
97.02969	8.1
99.00816	3.9
101.02448	48.7
109.02971	4.1
113.02449	27.0
115.92034	4.1
115.95812	3.3
116.92859	19.4
119.03484	37.9
119.67287	3.5
121.02924	14.9
123.56079	3.8
125.02467	32.2
131.03497	7.9
135.02983	5.3
135.04518	3.5
137.02428	13.2
143.03503	10.2
149.04529	4.7
151.04010	81.8
152.01112	5.3
156.83595	3.9
161.04535	13.1
169.01392	6.4
174.01741	4.4
179.03354	3.8
179.05597	21.9
191.05585	7.9
196.23598	3.6
221.06622	15.8
263.07660	9.4
319.00717	3.9
323.09821	42.6
343.11658	6.5
417.10168	4.7
424.64011	3.7
489.48801	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	535.1817
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
50.48289	1.9
50.98514	2.3
59.01380	25.2
61.98826	2.8
69.49875	14.2
71.01379	11.1
72.99305	3.0
83.01373	2.6
85.02944	4.7
87.30775	1.9
87.95161	2.3
89.02444	11.1
97.56396	1.9
101.02434	5.6
109.02953	34.0
112.47212	2.0
113.02436	7.6
119.03472	2.8
123.04496	5.9
133.02921	4.9
134.03723	4.2
135.04504	10.0
136.01648	13.6
137.02405	2.3
146.03720	6.3
148.01689	4.7
149.02414	3.3
149.06049	6.7
150.03188	6.7
151.03998	27.3
153.05583	8.1
153.50752	2.1
161.02444	20.0
161.04536	3.1
163.04013	16.3
164.01140	6.1
164.04796	4.2
165.01933	6.1
165.05585	3.4
166.02695	30.2
167.03455	5.6
177.01901	3.9
177.05498	4.1
178.02658	14.2
179.03510	14.0
179.05695	4.2
179.07123	22.4
181.05072	100.0
182.05324	2.5
192.04219	3.5
193.05031	25.8
207.06682	3.8
211.06058	27.7
221.04524	3.5
240.13324	2.1
251.05496	4.9
254.05881	11.7
255.06653	2.3
263.80219	2.5
269.08185	23.2
270.08795	5.5
281.06647	8.6
284.10370	2.6
285.11157	2.5
298.08456	3.3
310.08429	2.8
313.10864	13.2
323.07675	8.0
328.09534	2.8
341.08752	4.7
343.11816	69.6
344.12198	2.6
373.12888	71.1
374.13138	3.1
475.21576	10.6
493.22714	4.3
504.97394	2.1
535.14532	6.2
549.62457	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	533.3483
Annotation	Agosterol F
Peak:m/z	Relative Intensity
50.01117	0.3
59.01379	100.0
60.01717	0.5
61.98829	0.4
69.21732	3.0
71.05035	0.6
80.77943	0.3
93.10582	0.3
98.20614	0.6
121.06627	0.8
133.06618	1.4
135.08208	0.8
203.45041	0.4
265.18216	0.5
371.26266	0.6
389.26920	3.5
401.26953	4.7
455.31763	1.3
473.32690	2.5
493.18515	0.4
533.35144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.32551	0.5
61.98826	1.7
62.88351	0.7
63.74897	0.5
70.66499	1.3
70.66852	0.5
75.43962	0.5
78.95914	1.4
80.96539	0.8
152.99577	1.1
196.89459	1.9
203.98686	0.5
225.83673	0.6
275.16806	0.5
365.27112	0.6
455.31940	0.7
471.30753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59037	0.2
59.01376	0.3
61.98827	100.0
71.01396	0.3
73.02970	0.3
75.00878	0.2
88.02715	0.2
97.64531	0.2
112.60006	0.2
116.42736	0.2
117.03457	2.8
119.05024	1.4
132.30283	0.2
145.02951	13.0
146.03255	0.5
161.02489	0.2
161.06096	0.3
163.03978	2.7
185.04726	0.2
187.04047	0.6
205.05081	0.5
235.06007	0.2
248.68826	0.2
265.07220	0.5
307.08212	2.0
323.40344	0.2
325.09033	0.4
387.83911	0.2
411.10928	0.7
430.50967	0.2
471.12973	4.7
472.13455	0.4
533.23785	0.7
533.31262	0.4
533.43018	0.2
534.24341	1.1
535.25714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98836	15.1
63.54010	3.3
69.87709	2.8
70.96189	6.9
71.01383	45.8
71.05001	7.2
73.02956	23.9
74.94188	2.6
79.56960	2.7
83.01403	5.9
85.02950	21.0
89.02443	11.9
89.29871	2.6
89.90742	2.5
95.01382	3.7
99.00878	11.4
101.02432	26.0
105.19438	2.7
112.00983	2.9
113.02464	15.9
117.03450	14.4
119.05018	6.2
125.02458	3.4
131.03484	3.5
133.02954	8.9
135.04518	6.1
137.02425	6.8
143.90863	2.9
145.02946	63.9
146.03360	3.3
161.02425	22.5
161.04550	13.2
162.02800	5.1
163.04042	4.9
179.03406	4.2
182.85417	3.0
183.13869	4.6
255.03047	3.5
315.18161	8.1
323.19922	3.5
407.25888	3.8
415.24072	3.2
423.28851	5.0
447.22217	30.4
453.30240	4.7
471.31207	12.4
489.23355	68.6
489.31815	10.2
490.23431	4.2
533.23535	53.9
533.30951	55.2
534.23779	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	533.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36850	1.3
57.03421	2.7
59.01379	37.2
61.98819	1.8
70.67716	1.7
70.68047	2.1
71.01389	8.7
71.05009	2.5
72.99297	1.2
73.02921	2.1
84.27128	1.2
85.02917	2.5
89.02412	5.1
97.06523	2.2
101.02428	7.4
111.08096	3.3
113.02389	2.7
119.03438	1.9
123.08051	1.5
132.32646	1.2
133.02956	13.8
135.04472	4.0
145.02879	1.9
161.02441	49.0
165.12840	45.6
179.03464	2.0
183.13890	68.8
184.14154	1.4
195.13615	1.3
197.15485	6.3
207.13899	8.4
209.08087	1.2
209.11806	7.6
225.15007	5.9
227.12869	56.7
228.13007	2.2
251.12889	13.0
269.13861	6.2
323.13425	6.5
329.16064	9.3
330.41293	1.4
361.23749	1.9
375.25909	1.3
389.17975	3.0
453.30139	1.6
471.30814	4.7
473.32141	3.9
489.31830	5.6
515.24164	1.4
533.24982	100.0
534.25085	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	533.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01377	6.6
59.84807	0.6
61.98824	7.3
68.99807	2.8
69.03448	0.6
69.38871	4.6
71.01371	4.2
72.99321	0.8
73.02931	1.5
83.01385	1.5
85.02954	4.4
87.00877	2.5
88.98808	0.8
89.02440	1.8
93.03463	1.4
95.01384	1.4
96.96004	1.1
97.02920	0.7
98.20636	1.3
99.00886	3.6
101.02440	2.5
101.06032	0.8
109.02927	0.7
111.00875	1.6
113.02449	3.7
113.99590	9.5
115.00385	4.7
117.03467	8.6
119.05032	5.2
121.02951	0.8
124.66812	0.6
125.02429	2.4
127.00360	1.7
129.01918	1.8
133.02948	3.2
135.04514	1.8
137.02371	0.7
141.01897	0.8
143.78249	0.6
145.02953	30.2
146.03297	1.9
157.01402	2.0
157.40532	0.7
160.01646	1.2
161.02437	8.8
161.06081	1.1
162.02785	1.4
163.03996	5.1
169.01398	2.1
174.01714	9.6
175.02431	1.0
175.03937	1.2
175.24933	0.5
179.03407	1.0
183.13892	2.0
184.57564	0.6
195.13844	1.9
205.04977	1.0
213.14978	7.5
227.03517	1.2
230.24538	0.6
255.03056	1.7
265.07150	1.0
271.02484	3.1
281.07132	0.6
283.02484	1.5
284.03146	0.8
285.04047	1.8
299.01932	1.0
328.02240	5.2
329.02908	3.1
337.08472	0.7
414.17300	0.8
441.30081	2.2
459.31598	0.6
470.20654	0.9
471.13339	0.7
473.20303	6.3
473.26593	1.1
495.22360	0.9
533.09186	3.6
533.22607	100.0
533.30475	5.4
534.22906	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	533.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.1
59.01378	1.1
60.99329	0.1
67.01881	0.3
69.03445	0.2
69.51454	0.5
71.01382	0.6
73.02942	0.3
77.45066	0.1
81.03449	0.3
83.05029	0.3
85.02948	8.2
86.03295	0.1
87.00878	1.6
93.03458	2.9
99.00859	0.1
99.04511	0.3
109.02939	0.6
111.04494	0.9
113.02455	0.1
127.03151	0.1
127.04012	1.9
129.01964	0.2
137.02426	0.2
143.03490	0.1
153.01898	0.1
155.03505	0.3
171.03020	0.7
173.04521	0.9
191.05605	100.0
192.05936	2.2
288.71619	0.1
317.89117	0.1
344.64697	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	533.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33403	0.7
59.01382	29.6
61.98832	29.9
71.01383	7.2
73.02933	1.0
76.10368	0.7
76.84519	0.7
85.02945	1.8
89.02444	7.1
98.19902	1.2
101.02441	5.4
113.02450	2.3
117.03469	24.6
118.03829	0.9
119.03522	2.8
119.05033	10.8
133.02892	0.8
133.06569	1.1
145.02951	100.0
146.03304	3.3
161.02448	1.0
161.04820	0.8
161.06061	3.7
163.04012	11.0
163.11296	3.4
179.03406	0.7
187.04002	0.7
197.03342	0.7
205.05080	2.2
207.10294	5.7
265.07022	1.4
271.02344	1.3
300.02817	1.9
378.20044	0.9
387.16583	58.4
388.17062	3.3
471.13120	1.8
489.32172	1.2
533.21332	21.2
534.20886	2.4
553.51563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.8
59.01380	44.6
61.98833	6.3
64.97367	0.7
66.97010	0.7
71.01382	8.1
71.29852	0.9
71.30202	0.7
73.02956	1.5
75.00864	0.7
85.02962	3.1
89.02448	8.9
95.01424	0.8
101.02440	8.5
113.02450	3.7
117.03463	25.1
119.03581	3.7
119.05025	13.6
120.05372	1.0
125.02454	1.0
133.06618	1.8
135.04520	2.7
140.18684	0.6
145.02950	91.2
146.03337	1.9
153.01999	1.0
160.01701	1.1
161.02455	2.1
161.06070	4.5
163.04005	14.5
163.11267	6.9
169.01384	0.7
171.10197	0.7
175.04059	0.8
177.05522	1.5
179.03471	2.0
199.32487	0.6
205.05005	4.0
207.10255	8.1
235.06027	1.6
265.07114	2.9
285.04132	0.8
371.11481	0.7
387.16574	100.0
388.16986	4.1
433.74570	0.7
533.19763	31.0
533.30371	1.7
534.20300	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	533.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	100.0
59.01380	18.7
61.98833	13.0
69.03468	1.6
71.01049	1.2
71.01377	6.8
71.26600	1.2
71.53690	1.6
71.54081	1.5
73.02934	1.4
75.00860	1.4
81.03461	5.6
83.01398	2.2
85.02971	2.3
85.44902	1.1
87.00903	1.8
89.57420	1.2
93.03439	1.8
99.00875	2.1
99.04518	39.6
101.02445	30.1
109.02980	1.4
113.02502	1.5
117.03473	13.4
119.05023	5.6
121.02946	5.0
123.00893	1.3
125.02435	7.9
132.02222	3.1
133.02924	3.4
134.03735	4.9
135.02985	4.2
135.04489	2.9
137.02432	3.9
145.02954	42.1
151.00325	2.7
154.99855	6.5
160.01657	15.0
161.02141	10.1
161.04512	3.0
162.02220	3.9
163.04048	7.8
165.12811	4.7
169.01448	4.3
175.02533	2.9
175.03983	19.5
175.07527	1.3
176.04376	11.4
177.04448	3.3
177.05754	1.9
179.03464	2.9
180.04109	2.1
183.13899	8.9
190.06378	1.7
191.03688	1.1
191.07121	2.7
193.05043	5.1
194.05415	3.0
195.05614	1.3
205.04982	3.6
205.08714	2.1
209.11758	1.9
220.07408	1.9
227.12927	8.5
235.06172	2.6
235.09654	1.3
259.06067	2.4
265.07016	2.0
281.06586	1.6
285.03870	1.5
296.08508	1.6
299.38486	1.3
337.09314	2.4
338.09647	2.2
339.09979	3.5
341.10175	4.1
345.15460	5.3
356.12640	4.1
359.14966	12.8
371.14920	14.7
394.45203	1.3
411.12930	5.6
431.16989	8.2
452.95193	1.3
470.84262	1.3
471.20227	16.0
473.23624	2.3
489.32416	2.4
533.16260	4.3
533.23688	26.1
533.30841	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01116	3.4
59.01380	47.2
59.53062	2.2
61.32782	2.2
61.98830	27.6
69.28696	22.2
70.08791	2.0
78.32831	2.2
93.44843	2.0
96.83346	2.3
98.19840	4.9
106.01800	2.0
119.64280	2.5
196.89400	4.4
466.96179	2.6
471.34821	63.0
472.35083	5.0
473.35376	9.5
531.30414	100.0
532.30945	8.9
537.85449	2.6
545.47253	2.9
559.84259	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	533.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.9
57.03435	5.0
57.19477	1.8
58.67213	2.1
59.01112	3.7
59.01381	49.8
61.98831	16.3
65.00343	1.9
71.01375	21.5
72.99306	3.4
73.02943	8.4
75.00858	7.1
83.01389	3.9
85.02956	12.1
87.00879	3.4
89.02434	8.6
93.03462	5.1
96.95972	2.6
99.00883	2.7
101.02435	12.6
109.02954	3.1
113.02429	7.5
119.03496	2.5
119.05024	3.0
121.02972	13.8
125.02441	3.1
129.01910	4.8
135.03020	8.5
135.04514	4.6
137.02446	4.9
146.08214	4.4
159.03134	2.8
159.04451	4.0
160.04021	5.5
161.02386	7.0
163.00414	2.8
165.04012	7.1
169.01421	2.9
179.03378	3.0
179.10718	5.4
201.11320	2.4
221.04564	2.4
223.13280	3.7
227.03412	14.4
229.05043	5.7
240.04243	2.5
241.04984	3.1
255.02979	34.4
255.05635	3.2
255.06703	2.9
257.04449	2.8
268.07309	3.7
269.08200	10.6
269.84039	2.2
270.08890	5.1
281.08221	26.6
282.08823	6.5
283.09735	8.1
284.03275	42.9
285.04044	64.4
286.04651	3.4
296.10611	3.5
297.11203	3.0
299.09177	7.5
302.08057	2.8
314.11664	14.7
315.12274	6.0
329.13879	18.2
343.11765	7.2
371.09818	3.6
385.14893	3.0
415.15961	6.2
443.13593	3.6
458.15811	10.3
473.18124	90.6
474.18372	5.1
476.16745	13.8
489.10364	24.9
491.19244	100.0
492.19635	7.9
533.20026	64.7
534.20428	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	533.0933
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.99212	1.5
80.45403	1.6
98.20740	5.0
101.80257	2.2
107.01306	1.9
109.30278	1.8
117.03500	1.9
134.32033	1.9
135.00861	2.4
141.27362	1.7
151.00404	3.0
163.00337	2.2
185.06129	2.4
187.03987	3.1
187.52484	1.7
213.05644	1.9
217.45795	1.6
227.03482	32.2
229.05069	12.8
255.02974	70.7
256.03632	4.7
257.04489	6.0
284.03250	90.2
285.04025	100.0
286.04309	5.4
307.90778	1.8
489.03702	2.6
489.10410	45.1
490.10846	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	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09351	0.4
57.03448	0.4
59.01380	1.2
63.38285	0.3
69.08870	0.3
70.79460	0.6
71.01380	1.0
77.19208	0.4
78.19324	0.4
83.01385	0.4
83.07575	0.4
83.54418	0.5
85.02957	10.2
87.00877	2.3
91.79348	0.4
93.03448	3.2
99.04520	0.4
111.04505	1.0
127.04002	2.2
129.12346	0.4
132.36641	0.3
171.03047	0.7
173.04553	0.6
191.05608	100.0
192.05948	2.0
256.37698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.7
57.03443	3.8
58.00595	1.5
59.01380	51.0
61.98835	9.1
63.96581	1.0
69.03477	1.7
71.01381	59.2
72.99314	2.4
73.02944	18.7
75.00860	3.4
83.01398	7.8
83.04993	1.1
85.02952	25.0
87.00900	4.1
89.02446	32.2
89.24886	1.1
93.03486	1.7
95.01381	5.7
97.02949	1.8
99.00880	18.3
101.02442	35.3
111.00904	4.0
113.02455	26.2
116.92855	2.4
117.03461	9.5
119.03518	10.7
119.05012	8.4
121.02973	1.3
125.02481	3.4
129.01955	2.1
131.03545	4.2
132.02161	1.8
133.02960	13.1
133.06625	2.0
134.03719	2.5
135.04495	10.5
137.02452	3.0
137.09714	2.1
143.03519	3.4
145.02946	31.8
149.04585	6.9
149.06096	2.8
155.10800	2.5
159.03049	3.3
160.01707	4.5
161.02457	38.3
161.04596	21.8
161.06110	5.2
163.03998	11.1
163.05063	1.1
165.05162	1.1
175.03996	3.8
177.05545	5.3
179.03473	11.9
179.05638	6.7
179.07008	1.2
191.05569	6.1
193.05060	10.0
205.05038	6.6
205.61104	1.2
219.77827	1.1
221.04630	5.0
221.08145	1.1
225.63887	1.3
233.06894	1.2
235.06113	6.1
251.05667	5.3
252.33731	1.1
261.44171	1.0
265.07138	12.4
275.02502	1.2
281.06628	11.7
301.00034	1.5
307.08310	2.0
311.05579	2.1
311.56744	1.1
341.08966	4.8
341.19962	2.7
343.76855	1.0
399.23920	8.5
413.22119	3.2
428.86377	1.3
473.24149	1.6
487.31622	1.2
493.21088	3.2
507.79224	1.2
531.28522	100.0
532.21814	2.2
532.29181	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78119	0.6
59.01379	100.0
60.01703	0.7
61.98827	1.6
71.53580	0.8
72.62469	0.7
73.87071	0.6
78.95883	1.4
125.25371	0.6
147.04567	1.7
224.02771	0.7
531.30884	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01719	0.6
61.98836	1.1
66.76540	0.4
69.37430	2.4
69.37832	1.0
80.96554	0.5
85.41609	0.4
160.77049	0.4
316.69354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
57.03435	3.2
59.01380	41.8
61.98815	6.9
64.17684	1.3
69.03447	1.2
69.30554	5.2
69.30982	5.6
71.01380	57.6
71.01778	2.8
72.99298	1.2
73.02948	25.7
75.00863	1.6
83.01399	7.5
85.02457	2.2
85.02946	27.1
87.00859	4.5
89.02444	18.6
93.03419	1.7
95.01372	6.0
97.02930	2.0
98.20721	2.3
98.64399	1.2
99.00872	19.0
101.01789	2.4
101.02439	35.1
111.00890	2.7
112.98598	1.4
113.02445	26.7
117.03471	29.4
119.03498	3.6
119.05030	13.3
121.02943	1.4
125.02402	3.2
128.72495	1.1
129.01907	1.7
131.03482	3.2
132.02182	1.2
133.02963	14.1
133.06590	2.5
135.04523	14.9
137.02415	1.7
143.03484	4.0
145.02948	100.0
146.03293	1.7
149.04544	4.5
149.06068	3.3
159.02982	5.6
161.02458	37.3
161.04530	26.6
161.05907	2.8
163.04021	12.6
164.67035	1.2
169.69627	1.2
175.03969	1.3
177.05502	5.9
179.03488	18.3
188.93867	1.2
191.05556	4.5
205.05049	2.8
221.04575	9.1
235.06088	4.1
251.05553	10.4
265.07205	7.7
268.10013	1.1
270.65869	1.5
281.06641	16.5
297.81519	1.4
307.08078	1.5
323.07785	1.4
328.80261	1.2
341.08594	7.8
380.65820	1.5
399.23795	19.1
400.24051	2.0
478.16541	1.2
513.21313	2.2
531.21973	41.3
531.28174	86.1
532.21533	3.0
532.29285	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	531.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
61.98829	1.1
66.05227	0.4
69.43121	1.3
69.43543	1.6
71.01382	2.1
78.65097	0.4
80.28734	0.4
85.02953	0.8
87.46469	0.4
89.02441	0.7
100.23564	0.4
101.02464	1.2
104.02645	0.4
113.02483	0.7
117.03444	2.1
119.05026	2.3
121.02961	0.6
125.02379	0.6
132.02170	21.6
133.02985	4.4
134.03740	21.9
135.04536	3.8
137.02438	1.2
145.02948	4.3
147.04488	2.4
148.05273	1.0
149.06100	5.1
160.01654	86.8
161.02449	10.4
161.06052	1.0
163.04022	2.8
174.03214	0.9
175.03992	100.0
176.04686	4.8
177.01910	1.2
177.05493	1.3
178.02742	2.9
179.03476	4.7
190.02663	0.6
191.07121	4.8
192.04216	0.4
192.07599	0.5
193.05046	29.4
194.05325	0.6
202.02666	1.9
205.05005	1.6
207.06566	1.5
211.52545	0.4
216.00749	0.5
217.05034	8.0
220.03717	1.0
221.04498	1.7
235.06096	9.7
247.06187	0.9
251.05551	2.0
265.07141	4.8
277.06842	0.5
281.06674	3.3
295.08237	6.1
296.08517	0.5
323.07596	1.2
337.09253	25.3
338.09619	0.8
341.08643	1.1
355.10184	1.5
419.11179	1.0
471.12549	0.7
531.14807	5.5
531.22223	3.8
531.28845	0.8
532.15247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
57.03435	3.2
59.01380	41.8
61.98815	6.9
64.17684	1.3
69.03447	1.2
69.30554	5.2
69.30982	5.6
71.01380	57.6
71.01778	2.8
72.99298	1.2
73.02948	25.7
75.00863	1.6
83.01399	7.5
85.02457	2.2
85.02946	27.1
87.00859	4.5
89.02444	18.6
93.03419	1.7
95.01372	6.0
97.02930	2.0
98.20721	2.3
98.64399	1.2
99.00872	19.0
101.01789	2.4
101.02439	35.1
111.00890	2.7
112.98598	1.4
113.02445	26.7
117.03471	29.4
119.03498	3.6
119.05030	13.3
121.02943	1.4
125.02402	3.2
128.72495	1.1
129.01907	1.7
131.03482	3.2
132.02182	1.2
133.02963	14.1
133.06590	2.5
135.04523	14.9
137.02415	1.7
143.03484	4.0
145.02948	100.0
146.03293	1.7
149.04544	4.5
149.06068	3.3
159.02982	5.6
161.02458	37.3
161.04530	26.6
161.05907	2.8
163.04021	12.6
164.67035	1.2
169.69627	1.2
175.03969	1.3
177.05502	5.9
179.03488	18.3
188.93867	1.2
191.05556	4.5
205.05049	2.8
221.04575	9.1
235.06088	4.1
251.05553	10.4
265.07205	7.7
268.10013	1.1
270.65869	1.5
281.06641	16.5
297.81519	1.4
307.08078	1.5
323.07785	1.4
328.80261	1.2
341.08594	7.8
380.65820	1.5
399.23795	19.1
400.24051	2.0
478.16541	1.2
513.21313	2.2
531.21973	41.3
531.28174	86.1
532.21533	3.0
532.29285	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	530.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06248	0.3
53.40995	0.3
56.08518	0.3
56.17066	0.3
59.01366	1.5
61.98824	1.1
69.34696	3.0
78.95902	16.3
79.81982	0.4
80.20409	0.3
90.30067	0.3
152.99556	2.8
168.04283	2.8
224.06927	7.7
242.07932	2.0
244.26277	0.4
255.23274	100.0
256.21078	0.5
256.23642	4.8
257.66602	0.3
290.71518	0.4
310.96225	0.4
388.92374	0.4
480.30923	61.7
481.31299	4.2
536.06018	0.4
546.83173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00111	0.5
59.01376	3.8
61.98823	2.6
71.01394	3.5
71.53636	0.6
71.54019	0.6
73.02967	0.9
80.95095	0.5
85.02961	1.6
89.02457	1.6
93.03433	0.7
101.02446	1.9
112.98515	0.5
113.02456	1.0
113.58086	0.4
117.03469	29.2
118.03751	0.6
119.01363	1.1
119.03598	0.8
119.05034	9.6
120.05386	0.6
121.02954	1.0
125.02452	0.7
127.53016	0.5
133.02950	2.4
133.06622	0.9
134.03786	0.6
135.04553	3.2
137.02431	0.8
145.02956	100.0
146.03296	2.7
147.04547	0.6
149.02434	3.0
149.06012	0.9
159.04573	0.9
161.02429	4.7
161.04544	0.9
161.06097	1.7
162.94025	0.5
163.04016	12.6
164.04793	3.5
175.00365	4.3
175.03943	0.6
177.05602	1.6
178.11124	0.5
179.03496	2.6
179.05614	1.6
179.07098	0.9
187.04010	3.7
190.02705	11.6
190.04396	0.8
191.03481	1.8
192.04126	0.9
193.05034	0.5
203.03555	0.6
205.05054	18.1
206.05779	1.9
207.03043	0.6
208.03815	1.4
221.04463	1.4
221.08234	1.4
223.06128	5.5
235.06161	0.9
237.07599	0.5
247.06126	1.6
250.04845	0.8
251.05565	1.4
265.07138	5.3
281.06720	1.9
295.08304	0.8
307.08237	4.5
323.07614	0.8
325.09348	2.6
341.09012	1.1
353.08871	1.9
367.10339	12.4
385.11295	1.2
387.88608	0.5
531.15387	5.8
531.22986	2.0
531.29614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3057
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
50.45105	0.6
51.78649	0.7
54.17991	0.6
59.01376	25.5
61.98818	1.7
65.48299	0.7
67.12554	0.6
71.45806	0.6
71.53609	0.9
76.07547	0.7
84.34799	0.6
93.63387	0.6
124.76894	0.7
191.05592	2.6
216.12505	0.9
277.21585	0.7
353.14102	0.9
355.57596	0.7
471.34744	62.5
472.35162	6.0
529.30597	100.0
530.30829	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	529.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65033	1.2
59.01377	100.0
65.11454	1.1
66.87309	1.2
70.20261	2.0
70.20662	2.1
76.05894	1.1
95.97640	1.2
106.25522	1.1
132.62872	1.3
138.51241	1.3
191.05582	1.9
194.75111	1.1
212.87366	1.0
471.34753	26.5
472.34949	2.8
529.30255	23.9
529.75128	1.6
530.30579	1.3
553.95123	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	529.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38731	0.6
59.01378	100.0
61.98828	0.7
85.02959	1.0
93.03474	1.6
159.29117	0.6
191.05592	6.0
212.38802	0.7
220.53079	0.6
227.03587	1.0
277.21738	0.8
279.14966	0.6
281.10342	1.7
283.13559	1.6
300.23395	0.7
399.14941	1.9
447.82724	0.7
471.34674	6.7
529.30560	13.3
530.31421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3534
Annotation	Rubianol b
Peak:m/z	Relative Intensity
50.05039	0.6
59.01378	67.7
59.68963	0.7
60.12929	0.7
61.98832	0.8
69.28423	1.7
69.28836	4.5
71.05017	7.1
82.71935	0.6
98.19866	1.2
112.88586	0.7
186.36386	0.7
194.92462	0.7
241.77316	0.7
274.44818	0.7
393.31699	1.8
423.32507	1.5
425.34518	3.1
469.33224	2.2
483.34692	3.4
511.34265	2.1
529.35352	100.0
530.35602	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	529.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92804	0.5
59.01377	6.0
61.98828	5.6
67.25144	0.5
71.00984	1.3
71.01379	3.0
72.99329	0.6
73.02946	0.6
73.31396	0.5
83.01405	0.8
83.05051	0.6
85.02966	1.0
86.99097	0.5
87.00868	0.7
89.02448	1.9
95.01379	0.8
96.96046	0.6
99.00874	1.2
101.02441	2.2
105.03464	1.0
108.02186	0.6
109.02937	0.5
111.08145	0.6
113.02455	1.1
117.03464	1.5
119.57715	0.5
121.02958	24.3
122.03287	0.6
125.02460	1.4
132.02165	2.4
133.02959	39.5
134.03737	1.2
135.04543	9.1
135.90326	0.5
137.02376	1.2
145.02950	1.9
145.61768	0.6
149.06068	0.6
151.00296	0.7
160.01605	0.7
161.02440	100.0
162.02760	2.6
163.03896	0.5
169.01466	1.0
171.01959	0.7
179.03503	4.0
201.09206	0.5
209.11867	1.1
218.69777	0.5
227.07062	0.6
262.32764	0.6
277.67346	0.5
323.07837	0.7
347.11566	0.9
375.25421	0.8
397.22491	0.8
407.13443	13.5
408.13406	0.7
432.10297	0.7
485.29102	0.6
487.25485	0.6
493.20926	1.3
529.17188	57.4
529.26685	7.4
530.17303	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	529.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79936	2.4
59.01372	19.5
61.98833	31.4
64.42825	2.4
69.73373	2.5
71.01379	9.6
71.19017	2.4
73.02937	3.3
74.03598	2.3
85.02975	2.6
89.02433	7.5
93.03447	54.3
96.96002	8.0
99.00885	4.1
101.02442	7.7
109.06512	2.6
113.02490	6.5
117.03437	4.6
117.47935	2.5
125.02469	4.3
133.02962	32.9
135.04518	9.5
137.02440	100.0
145.02963	11.6
161.01118	5.9
161.02425	90.0
162.02740	3.6
169.01421	5.6
173.04596	3.3
177.05533	3.4
179.03506	6.2
199.18138	2.9
233.81773	2.5
253.70789	3.0
287.78964	2.6
325.15866	2.9
328.53891	2.7
383.13797	6.5
408.40720	2.8
411.16245	12.1
493.20810	80.4
494.20935	9.7
529.18945	12.1
529.27106	7.6
529.34399	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	528.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80809	0.3
59.01385	1.2
59.81667	0.3
61.03704	0.3
61.21949	0.3
61.98830	100.0
63.99250	0.3
66.89835	0.3
69.23579	2.3
69.23981	0.8
71.01388	0.5
73.02923	0.4
75.00863	0.5
80.96511	0.7
96.96029	0.5
98.20673	0.6
101.02441	0.5
109.02974	0.3
111.00887	0.4
119.05050	0.8
123.04560	0.5
125.02464	0.9
133.03008	0.3
133.27101	0.3
134.08167	0.3
140.21310	0.3
145.02985	1.3
151.04037	0.6
161.02498	0.5
161.04546	0.3
161.55594	0.3
163.04066	0.7
169.01469	0.8
175.04053	0.3
177.02034	0.4
189.01993	1.2
191.03496	0.5
217.01459	0.9
219.02942	0.4
236.16670	0.3
244.80119	0.3
341.06555	2.6
465.12042	3.2
465.16925	0.4
471.12885	0.7
528.18573	1.9
529.19427	0.4
529.26715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
60.04932	0.4
61.98831	0.7
67.79446	0.5
71.53368	0.5
78.95897	3.0
79.95749	3.5
84.17651	0.4
96.96010	100.0
96.96897	4.5
119.34747	0.5
125.02449	0.7
135.04529	0.7
137.02534	0.4
145.02922	0.5
148.49780	0.5
169.01430	1.4
227.03523	3.5
229.05084	0.6
255.02960	5.2
256.03604	0.6
284.03235	5.7
285.03955	6.3
306.21759	0.5
312.90753	0.5
334.27863	0.6
373.18805	0.6
431.09802	10.3
529.20020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1561
Annotation	Pikuroside
Peak:m/z	Relative Intensity
57.03428	1.0
59.01362	2.3
60.11471	0.5
60.99308	3.1
61.98825	1.1
67.01892	9.0
68.47819	0.6
69.03456	2.4
69.24758	4.8
71.01375	4.2
73.02939	0.9
73.17719	0.8
81.03463	1.5
83.01353	0.6
83.05022	1.7
84.89368	0.6
84.91262	0.6
85.02941	4.3
87.00877	12.2
93.03456	63.3
94.03773	0.9
95.01405	0.8
97.02971	0.9
98.20610	1.0
99.00886	1.3
109.02943	1.0
111.00874	0.8
111.04505	8.5
113.02464	1.4
115.03966	0.6
119.05018	2.2
122.99215	0.6
123.00863	2.2
125.02460	4.8
127.03991	1.4
129.01941	1.7
133.02905	0.7
134.03737	16.7
135.03011	0.8
135.04506	1.0
137.02420	2.6
139.03964	0.8
149.06070	5.4
155.03520	2.0
160.01605	0.6
161.02408	1.3
163.04008	2.3
168.00690	0.7
169.01422	3.3
173.04536	20.8
175.03926	1.7
178.02708	9.5
179.03374	1.4
191.05603	100.0
192.05914	3.0
193.05037	21.7
195.04897	0.8
229.01329	0.7
247.02502	0.7
275.01990	1.1
300.99844	4.7
302.00409	0.9
305.04376	0.8
324.07870	0.7
367.10324	23.7
368.10709	1.8
378.03699	1.7
391.03061	2.1
409.11411	4.1
467.03467	1.2
511.08798	0.7
529.15668	75.8
530.16144	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	528.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27942	0.8
57.03421	1.4
59.01390	1.8
61.07330	0.8
61.75038	0.9
61.98829	100.0
69.68773	3.9
95.61245	0.7
96.96029	1.0
109.03005	0.9
123.00914	0.9
125.02431	7.8
137.02429	3.5
138.03148	1.1
142.92984	0.8
149.02428	6.9
161.02388	1.8
165.01907	2.2
166.02715	6.0
167.03470	3.3
169.01398	1.1
174.03363	1.0
175.03996	3.5
176.01134	1.2
179.03627	1.1
192.00624	2.2
193.01363	1.9
196.71213	0.8
199.03961	7.1
209.46913	0.9
213.05591	0.8
217.05064	4.8
241.05046	11.5
242.02184	0.9
243.02904	2.0
285.04050	37.1
286.04538	1.6
299.99185	0.9
329.08789	8.2
339.07028	2.8
355.06708	2.2
462.94937	0.9
465.10309	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	528.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98820	0.9
70.54224	0.9
71.01368	0.6
76.38316	0.3
90.24469	0.3
116.05062	2.4
117.03513	0.4
117.13062	0.2
125.02445	0.6
133.02963	5.7
135.04517	4.7
149.06100	0.3
156.84067	0.3
159.03238	0.4
160.04033	100.0
161.02434	17.5
161.04356	2.4
162.02785	0.5
169.01454	0.4
177.05594	0.6
179.03493	2.9
202.05118	0.3
204.03020	3.1
205.81583	0.3
221.04546	0.9
279.69952	0.3
280.05988	0.3
322.09451	2.4
323.07697	14.0
324.07971	0.4
366.08249	23.8
367.08478	1.1
376.27933	0.3
465.10013	0.5
484.12366	4.6
485.12769	0.5
485.49847	0.3
528.11401	8.4
529.11877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	66.1
69.47268	5.8
90.62107	0.9
140.75613	0.7
181.54074	0.7
194.40561	0.8
194.97289	0.8
343.14194	0.8
361.54581	1.0
393.31714	4.2
421.31311	1.4
423.32449	1.6
478.57220	0.9
481.33109	6.0
511.94635	1.0
527.33759	100.0
528.34021	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	528.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.2
59.01366	12.6
61.98827	18.8
67.94389	3.5
69.17260	16.6
69.17683	20.5
71.01364	7.0
81.03445	6.8
85.02947	4.4
89.02459	7.3
93.03442	4.4
95.01369	6.5
97.94441	3.6
98.20622	6.8
99.04447	4.8
101.02401	5.8
109.02937	12.6
111.00956	4.6
116.92779	3.9
119.05042	4.5
121.03036	4.8
123.00924	6.5
125.02447	48.1
125.77506	3.9
133.02921	3.7
135.04489	10.8
137.02422	14.9
138.03175	4.6
149.02434	39.2
159.74884	4.0
161.02435	23.9
163.04021	6.8
164.01144	10.8
165.01888	14.3
166.02707	38.6
167.03514	30.0
167.04797	5.3
169.01413	6.4
170.18556	4.2
175.04004	18.2
176.01166	5.5
177.02019	3.8
177.17921	3.8
179.03516	11.8
192.00577	7.4
193.01416	13.6
199.03941	14.9
204.08684	7.7
213.05580	4.1
217.05035	13.7
241.05066	36.0
242.02129	4.4
243.03036	8.4
275.01971	4.9
285.04031	100.0
300.99814	8.9
303.05093	24.8
323.07523	10.9
329.08820	48.0
339.07144	7.9
355.06668	7.9
465.10342	82.2
466.10446	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03438	2.4
59.01378	37.0
61.82356	0.7
61.98828	1.5
65.14193	0.8
67.01875	0.7
67.42163	0.7
68.99809	0.9
69.03458	0.8
69.64453	0.8
71.01382	21.0
72.99302	5.4
73.02935	1.5
75.00872	18.3
80.96530	2.3
83.01381	0.9
85.02950	24.7
87.00879	7.7
89.02462	4.4
93.34914	0.7
95.01390	5.8
95.21235	0.8
99.00877	10.7
103.00379	3.3
111.00933	1.4
113.02446	33.3
115.00366	2.2
117.01940	3.5
129.01971	2.0
145.46700	0.7
157.01439	0.9
175.02464	4.5
193.03529	1.2
205.07178	3.3
223.08229	1.1
231.05182	1.0
249.06145	7.9
267.07166	8.1
277.21698	62.3
278.22089	2.9
509.27325	2.1
527.28564	100.0
528.28809	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	527.3142
Annotation	Ferruginin C
Peak:m/z	Relative Intensity
52.87325	3.2
59.01379	16.5
61.98826	15.2
66.16633	3.0
75.56640	2.8
79.32936	3.1
88.39002	3.0
115.60051	3.4
201.05482	3.3
489.32367	3.8
500.63315	3.6
527.31470	100.0
528.32111	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	527.3144
Annotation	Ferruginin C
Peak:m/z	Relative Intensity
52.54486	12.9
58.59832	12.1
59.01369	45.4
61.98825	83.0
68.94913	11.9
69.21247	22.6
69.21653	100.0
71.05016	14.8
101.32378	11.5
106.07905	12.1
110.10004	13.7
157.70709	12.8
171.75650	13.7
262.32339	15.6
291.19717	20.4
451.14691	12.8
527.31342	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3373
Annotation	25-O-Acetyl-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
55.66652	0.4
59.01379	100.0
60.01697	0.5
61.98845	0.9
69.56421	2.5
69.68290	0.4
72.84116	0.4
79.95750	0.7
80.96523	1.7
94.98152	0.5
97.06593	5.3
147.72108	0.5
175.14969	0.4
340.25012	0.5
423.32629	2.0
441.95871	0.5
498.25912	0.5
527.25500	2.3
527.33746	19.3
528.26923	0.5
528.34106	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05382	0.9
59.01379	100.0
59.85945	1.0
61.98830	1.8
71.53725	1.0
76.46310	0.9
137.65909	1.2
171.52350	1.0
251.72591	1.1
356.61368	1.1
527.33752	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	527.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.8
59.43640	0.4
70.03288	1.1
71.05009	2.0
105.31635	0.3
127.45798	0.4
128.98856	0.3
132.92795	0.4
140.38406	0.3
170.22984	0.4
221.50977	0.4
326.18396	0.4
407.29831	0.4
419.17361	0.3
423.32468	0.3
437.30103	0.5
467.31839	2.4
483.34894	0.7
484.58475	0.4
509.32706	9.5
510.33099	1.1
527.33740	100.0
528.34143	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	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48986	0.7
55.79930	0.7
59.01371	0.9
69.47186	2.8
69.47595	2.1
71.01380	5.9
72.96164	0.7
73.02941	1.5
78.98592	4.8
79.95732	6.4
80.96517	46.0
85.02955	1.0
87.00880	1.7
94.98087	10.7
97.02978	1.2
98.19897	1.4
101.02440	2.6
103.87563	0.8
103.99625	1.0
106.98113	2.4
107.01399	14.0
111.00852	0.9
122.97581	4.2
123.00902	0.9
124.01675	1.0
125.02449	28.6
134.97609	3.2
136.99132	1.2
139.00349	1.0
139.03970	3.5
140.01154	1.2
148.99196	4.5
152.98650	5.1
153.86490	0.7
164.98651	7.8
168.00679	1.7
169.01413	29.6
169.02841	1.6
182.99738	2.4
183.02985	12.7
183.13893	5.3
206.99728	3.2
225.00748	16.8
229.94380	0.8
243.01759	1.2
295.19547	0.9
299.04510	2.2
527.17645	100.0
528.17291	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	527.2137
Annotation	Dutasteride
Peak:m/z	Relative Intensity
55.17211	0.5
59.01370	2.2
61.98825	3.5
63.49942	0.5
63.69241	0.6
69.03441	2.0
69.59262	3.3
71.01369	1.1
71.05005	0.8
75.09647	0.5
78.34157	0.5
79.01879	0.9
81.03448	1.2
83.01388	1.6
85.02952	0.9
91.58311	0.5
95.01408	1.7
97.02948	1.9
107.01369	1.5
109.02947	0.5
116.49009	0.5
121.02908	0.7
123.00887	8.1
123.04483	1.1
124.01662	28.4
125.02447	37.0
126.02787	1.2
135.73665	0.5
137.02432	2.3
139.00325	1.0
140.01181	2.8
149.99588	28.4
151.00375	7.3
153.01836	0.7
153.05534	1.3
155.03491	1.3
161.02351	0.8
163.04095	0.5
165.12802	0.7
168.00639	50.7
169.01399	7.1
183.13861	0.8
184.15509	0.5
213.14923	1.1
227.12907	0.5
313.05515	0.7
317.08707	0.7
379.24902	1.6
405.07669	0.8
423.23865	4.6
527.21307	100.0
528.21771	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	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01373	1.9
61.98829	10.8
63.96229	0.6
71.01381	5.9
72.99359	0.5
73.02946	1.7
73.38836	0.4
78.98592	4.6
79.95735	7.7
80.96517	52.4
81.03447	0.7
85.02944	1.8
85.45513	0.5
87.00879	2.9
94.98087	13.1
96.95982	0.9
97.02941	1.6
98.20777	0.9
99.00863	0.6
101.02439	2.8
106.98087	3.2
109.02949	0.6
113.02428	0.7
117.03481	0.5
122.97585	2.1
125.02464	4.0
127.04002	1.0
134.97592	3.6
136.99136	1.1
139.03975	0.5
145.02956	1.3
148.99132	4.4
152.98659	5.0
161.02423	0.9
164.98627	10.9
165.12819	0.9
169.01361	1.3
183.13911	5.5
195.06564	0.5
206.99687	2.7
225.00735	17.3
226.00986	0.8
285.03922	1.1
299.04422	2.4
300.06451	1.1
315.08649	0.6
483.19376	1.1
509.17474	0.6
527.17975	100.0
528.18286	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	527.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
59.84243	0.7
61.98829	9.2
63.12254	0.7
67.67419	0.8
69.03428	1.2
71.01356	3.4
73.02930	0.9
78.98563	2.3
79.01863	0.9
79.95713	1.9
80.96516	23.6
81.03468	0.8
85.02914	1.3
87.00859	1.7
88.98756	0.8
94.98080	5.9
96.95982	1.1
97.02942	1.4
98.51705	0.8
101.02418	1.5
106.98106	0.9
107.01388	25.4
108.12012	0.9
111.00861	1.7
121.02880	1.0
122.97544	2.0
123.00833	3.6
123.04504	1.4
124.01624	3.9
125.02445	48.5
126.02766	1.1
134.97537	2.6
136.98727	1.5
139.00337	2.7
139.04005	7.8
140.01099	1.7
148.99078	1.7
151.00317	0.9
152.00977	0.8
152.98584	2.8
154.18513	0.8
161.02368	2.2
164.98546	3.4
167.00058	0.9
168.00632	4.1
169.01422	65.1
170.01711	0.8
181.04962	1.8
183.01399	1.4
183.02968	24.7
183.10172	0.9
183.13838	2.0
206.99635	1.3
225.00757	8.8
243.01781	0.9
365.18179	0.9
527.15881	100.0
528.15747	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	527.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
59.01378	14.8
61.98830	22.2
65.00335	2.5
71.01384	13.2
73.02945	2.6
75.00886	1.8
78.91900	14.7
83.01392	8.4
85.02979	3.8
85.06588	100.0
89.02446	3.6
97.02985	3.3
99.00870	2.3
101.02420	6.0
107.01394	6.3
112.55546	2.4
113.02486	4.2
113.06102	21.5
115.04028	20.2
117.03508	1.9
120.99654	2.6
123.00900	3.3
124.01678	2.2
125.02431	22.7
127.65685	1.4
129.05553	6.3
132.02151	8.9
133.02965	5.5
134.03741	40.9
135.03000	4.1
135.04547	2.3
136.01625	1.9
137.02441	4.7
137.72975	1.8
139.03958	2.5
145.02953	5.1
147.04538	4.2
149.06082	10.0
151.00368	24.1
157.05057	7.0
160.01659	60.1
161.02412	6.8
161.04456	2.0
163.03998	3.0
166.02760	1.9
168.00664	4.9
169.01402	17.0
175.00484	2.0
175.03992	65.8
175.05524	3.1
176.04753	10.0
177.01773	2.2
178.02679	7.9
178.52177	1.8
179.03564	2.7
189.07610	9.8
191.07111	13.6
193.05042	44.9
202.02663	1.9
207.06570	3.9
211.04118	1.7
217.05099	3.9
235.03987	3.1
235.06110	31.4
265.07117	18.8
295.08224	35.6
307.08243	2.2
329.23349	4.2
337.09262	62.0
338.09601	5.0
375.20334	3.0
397.11334	5.3
483.33240	4.7
491.19495	2.5
527.21283	42.0
527.33057	2.7
528.21991	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	526.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01071	1.1
59.01378	32.1
61.98830	100.0
65.44812	0.6
67.97950	0.5
69.25132	6.0
71.01390	2.8
71.54819	0.5
73.02917	0.8
75.77766	0.6
85.02976	1.6
87.04510	18.0
101.02470	1.9
113.02454	0.9
130.04649	0.6
153.01958	1.7
160.91701	0.6
161.04509	0.8
214.23148	0.6
243.93994	0.6
269.30402	0.7
297.91876	0.6
307.17722	1.1
344.35541	0.7
377.22012	2.6
419.22952	1.0
533.01404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.2
59.01375	3.8
61.98814	1.3
66.42973	1.0
67.33650	1.0
71.01374	6.1
71.51405	1.3
72.99319	1.9
73.02937	1.5
75.00871	2.6
79.01887	1.4
83.01374	1.3
85.02942	2.3
87.00858	2.3
89.02416	1.6
93.03461	1.3
95.01369	3.1
96.95998	1.4
97.02940	1.7
101.02440	3.7
107.01399	10.3
108.02165	2.0
109.02943	1.2
111.00877	4.7
113.02451	3.2
121.02920	2.0
123.00886	18.2
123.04482	3.5
124.01673	4.7
125.02443	57.0
126.02763	1.1
127.00342	2.6
133.02939	2.6
135.02989	1.8
135.04526	5.3
136.98804	3.5
137.02426	1.6
138.03278	1.1
139.00374	9.4
139.03912	1.2
140.01160	6.2
141.01900	2.6
145.02943	2.5
149.02420	5.6
150.03227	22.8
151.00371	13.3
151.03918	3.4
153.01915	1.5
161.02448	9.5
162.03180	2.1
163.04066	2.3
164.04776	3.6
165.01883	1.2
165.05560	16.4
166.99826	2.1
168.00642	13.5
169.01411	83.2
170.01732	2.0
173.51912	0.9
177.22630	1.0
179.03500	5.7
180.04280	2.1
183.02951	8.7
195.06615	3.4
204.08711	3.8
210.01659	1.3
211.02463	6.0
225.04033	7.6
241.03601	1.3
253.03468	1.8
271.04523	4.1
275.01859	1.0
285.06235	10.0
297.06061	3.9
300.99796	4.2
307.46732	0.9
313.05649	20.5
314.06006	1.1
323.07672	7.1
373.07739	2.2
385.07718	9.1
479.11938	85.3
480.12149	7.5
491.11917	2.2
509.13007	15.7
527.14026	100.0
528.14398	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	526.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90253	2.5
61.98835	25.0
62.27261	3.0
98.19872	6.5
111.01787	2.7
118.23381	2.5
121.02869	2.8
151.00349	9.2
178.99847	4.2
219.57588	2.9
229.45569	2.8
243.03003	5.2
255.02995	14.7
271.02469	40.7
300.02740	71.1
301.03491	53.2
463.08792	100.0
464.09055	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	526.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98826	27.5
63.02391	1.3
65.00325	4.2
69.45553	7.1
83.01369	3.2
85.02904	1.0
92.10554	0.8
93.03441	1.0
96.95966	1.0
99.00883	1.1
107.01388	11.5
119.04994	1.0
121.02950	9.9
123.00888	1.1
125.02457	3.2
133.02946	1.2
139.04018	1.5
151.00362	50.9
152.00819	1.2
161.02400	3.4
163.00372	1.6
169.01402	3.3
178.99866	20.6
183.02959	1.0
229.05060	1.2
255.03006	1.5
273.03979	2.3
300.02768	4.1
301.03510	100.0
302.03821	6.1
317.60260	1.0
445.07758	1.4
463.08774	88.5
464.09027	5.3
480.34216	1.2
510.12476	1.2
525.22522	1.0
527.15399	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	525.1975
Annotation	Eucalmaidin C
Peak:m/z	Relative Intensity
56.15192	0.6
57.03472	0.6
59.01377	1.5
61.98815	2.5
71.01363	2.4
81.03463	1.5
85.02942	2.4
95.01378	2.5
98.20645	2.0
99.00857	0.8
101.02414	1.1
107.01451	0.8
108.02175	67.1
109.02958	42.2
109.03609	0.6
113.02463	0.9
116.33057	0.6
123.00789	1.1
123.04532	1.1
125.02460	0.7
134.03737	1.6
149.30458	0.6
151.03999	1.9
152.01157	62.6
153.01944	19.8
160.01637	2.2
163.03937	1.1
165.12814	4.4
175.03993	2.7
183.13893	9.8
193.04939	0.8
219.24950	0.8
227.12856	1.6
315.07227	5.2
461.82056	1.0
481.20746	4.0
494.42465	0.9
507.18530	7.3
525.19672	100.0
526.20081	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	525.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67462	1.2
56.62928	0.9
63.13676	0.8
63.72411	0.9
69.49963	7.5
74.77304	1.0
98.19901	1.4
107.04996	1.2
108.02214	1.2
121.02966	4.9
122.03736	10.9
124.90378	1.0
125.02436	2.2
134.03738	26.5
135.04553	12.2
137.02425	1.4
137.06023	1.1
146.03735	18.0
149.02481	1.2
149.06076	45.0
150.03189	3.9
161.06079	10.9
162.03191	2.1
164.04799	8.6
165.04160	1.5
165.05559	26.1
166.06354	12.2
167.07133	100.0
168.07492	3.0
169.01450	1.4
177.05585	1.4
179.07127	53.2
180.07532	1.4
181.04982	0.9
183.53159	1.0
191.52142	1.0
221.08183	10.9
223.84126	1.1
239.09181	2.8
242.61644	0.9
250.48969	1.0
253.72015	1.1
265.83411	0.9
315.12381	32.9
316.12607	1.6
327.12231	5.3
329.12299	2.3
332.06229	1.0
345.13428	11.7
363.14487	13.7
505.88785	1.0
525.16217	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	525.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00548	1.9
59.01381	40.5
69.34725	5.4
69.35147	10.8
71.01382	28.4
85.02938	4.0
87.00876	3.3
89.02441	37.3
101.02450	17.2
108.02184	3.2
113.02470	10.2
114.45053	2.0
119.03502	15.0
121.02969	14.3
122.03754	9.5
134.03746	16.4
135.04521	19.6
143.03488	2.9
146.03735	84.1
147.04277	3.1
149.04803	3.1
149.06067	20.6
149.61803	2.0
161.04655	3.1
161.06070	72.1
162.03203	7.6
164.04807	12.4
165.05545	28.5
166.06349	32.1
167.07127	85.6
176.49231	1.8
177.05582	4.6
179.05609	5.8
179.07111	46.3
190.91460	2.0
193.08730	2.5
195.06651	2.5
221.08173	17.5
312.09967	3.4
315.12253	7.2
327.12350	100.0
328.12814	5.5
446.88663	2.0
525.22107	3.9
549.00146	2.2
552.62775	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	525.1977
Annotation	Abelioside A
Peak:m/z	Relative Intensity
50.19817	0.6
50.31582	0.6
55.01851	0.6
59.01109	0.8
59.01381	10.2
61.98831	8.4
63.36960	0.5
67.01881	1.8
69.98788	1.0
69.99200	2.1
71.01376	6.5
72.57230	0.7
73.02940	0.7
79.01908	0.8
80.91311	0.6
83.01388	0.9
85.02932	2.0
88.98795	1.8
89.02445	4.9
95.01396	1.5
101.02435	3.8
107.01382	3.7
110.00046	0.7
111.00876	3.0
113.02438	1.9
119.03488	2.8
123.00895	10.9
124.01649	1.8
125.02449	14.8
125.05090	0.6
126.21533	0.6
127.00362	1.5
135.02983	0.9
135.04546	0.7
136.98810	1.8
137.02463	1.4
138.01944	2.5
139.00375	5.9
139.04047	0.7
140.01180	5.1
148.34683	0.7
150.96017	0.7
151.00368	8.0
154.99875	0.9
157.66595	0.7
160.01706	1.1
161.02415	1.4
168.00638	7.0
169.01425	19.4
175.04037	0.8
193.05013	0.8
193.12306	1.2
211.02469	9.5
271.04553	12.2
305.14014	3.1
318.27454	0.6
323.07764	1.8
331.06784	0.9
346.01855	0.7
368.43259	0.6
373.18747	1.0
437.14560	0.9
457.75687	0.8
465.17719	0.7
483.18738	3.1
507.18747	11.2
508.18320	1.0
524.35590	1.2
525.19733	100.0
526.19995	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	525.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.1
61.98829	3.6
67.01884	0.9
71.01383	3.4
72.99282	0.4
73.02955	0.5
79.01903	0.9
83.01370	0.8
85.02935	1.2
87.00884	0.7
89.02438	1.6
93.03414	0.6
95.01382	1.5
97.02932	0.7
98.20634	1.6
101.02429	1.6
102.75867	0.4
107.01394	2.2
109.02998	0.5
110.00060	0.6
111.00867	2.2
113.02457	1.1
119.03486	0.4
120.99629	0.4
123.00884	11.6
123.71966	0.4
124.01662	1.2
125.02447	12.7
127.00338	0.6
133.02950	1.1
135.02991	0.8
135.04527	0.9
136.98802	1.4
137.02428	1.0
139.00381	3.8
140.01158	2.6
141.01909	1.3
150.75595	0.4
151.00363	8.2
153.01909	1.2
160.09644	0.4
161.02434	4.1
163.04041	0.5
168.00638	4.0
169.01425	19.0
179.03461	0.9
211.02490	5.3
271.04593	6.1
289.11996	0.5
300.99673	0.5
301.03357	0.6
313.05582	0.5
313.13284	0.5
335.43982	0.5
363.16483	1.1
367.08966	0.5
465.17548	0.5
481.17157	0.9
525.23425	100.0
526.23804	8.5
546.28784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76796	2.8
57.29663	2.2
57.50047	2.4
60.70191	2.3
67.01894	18.6
67.30214	2.2
70.77193	4.7
83.01381	29.1
85.28236	2.3
95.01390	85.1
111.00884	63.9
139.00374	58.6
142.68100	2.7
159.65367	2.9
182.99339	100.0
389.47830	2.6
424.94824	2.9
427.38364	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	525.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24550	1.9
60.44891	1.6
67.01897	20.5
69.35086	9.8
69.35490	3.9
83.01388	26.5
83.14845	1.6
91.99244	1.6
95.01390	82.8
100.78818	1.7
102.39899	1.5
107.92706	1.7
108.90228	3.2
109.66186	1.5
111.00882	59.3
139.00368	60.5
154.75346	2.2
161.09172	1.8
182.96983	37.8
182.99327	100.0
192.87253	1.9
297.19550	2.0
319.98306	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	525.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42944	2.0
67.01890	24.6
69.49401	13.4
70.80906	1.6
83.01390	28.8
85.02985	2.4
95.01387	75.9
108.62180	1.8
111.00885	61.6
130.00539	1.9
135.93845	1.9
139.00378	62.2
140.00703	2.0
172.08830	2.1
182.99348	100.0
183.99730	2.3
199.30008	2.1
247.01877	1.9
332.93845	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	523.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07629	8.5
59.01380	63.5
61.98832	17.6
68.27061	7.7
69.23108	29.0
69.23525	55.3
80.24643	7.9
88.64211	8.6
93.03488	47.8
97.06602	7.9
98.20602	16.1
136.72906	8.1
137.02428	86.2
152.99544	16.0
171.21689	8.2
178.79416	9.0
230.21268	9.1
244.90146	8.5
295.22821	48.4
371.29294	8.8
395.25049	8.6
443.35452	47.9
457.33090	19.9
485.32523	39.4
487.34430	100.0
523.27228	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	523.319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80515	7.6
56.79733	7.4
57.67519	8.0
59.01376	16.4
61.98836	25.2
71.53996	10.9
91.92063	8.3
92.30566	9.9
93.17746	8.6
96.96008	9.1
103.30023	9.4
133.02902	9.2
142.88470	8.1
156.00841	8.9
265.88916	10.5
347.99219	10.2
471.30539	9.6
523.32007	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	524.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27098	0.2
59.01373	0.5
61.98828	100.0
70.40661	0.6
77.29688	0.2
106.90968	0.2
160.54865	0.2
161.02425	0.3
167.05775	0.2
169.01578	0.3
176.04387	0.2
524.33246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
61.98831	100.0
69.38450	0.2
70.40689	0.4
70.41013	0.2
71.94922	0.2
87.04497	0.2
88.04848	0.2
128.90236	0.2
135.02980	0.3
137.09784	0.2
159.83330	0.2
161.02444	0.4
221.25053	0.2
284.24124	0.2
366.11710	0.2
372.87766	0.2
435.92371	0.2
480.19745	0.2
523.33606	0.4
524.21667	0.2
524.33594	0.6
525.23004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98830	100.0
66.56261	0.3
71.01393	0.5
75.00886	0.5
79.83497	0.3
80.80162	0.3
93.03464	1.3
106.16588	0.4
125.02447	0.7
133.02951	0.5
135.04546	0.6
137.02440	2.5
153.01950	0.4
157.15028	0.3
161.02458	1.0
169.01465	0.6
259.57437	0.4
276.32819	0.4
314.92975	0.4
363.94550	0.4
524.17395	0.5
525.20166	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
61.98828	100.0
69.39438	2.2
69.39856	0.6
71.01383	0.9
72.05289	0.3
72.57127	0.3
73.02951	1.2
75.00881	0.4
76.91750	0.3
79.42524	0.3
83.01407	0.6
89.02406	0.5
93.03450	1.8
96.40459	0.3
98.19917	0.8
101.02451	0.7
107.01379	0.4
123.00845	1.0
125.02432	1.8
133.02977	0.4
135.04568	0.6
137.02432	3.3
151.00388	1.0
155.10829	0.5
161.02470	1.3
162.02806	0.5
166.06393	0.7
169.01434	4.0
170.01828	0.7
179.03500	0.5
196.23344	0.3
200.10164	0.3
246.44432	0.3
285.04025	0.5
323.07687	1.2
411.88147	0.4
524.18457	5.2
524.34387	0.6
525.19214	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03444	1.3
57.20480	0.5
58.00594	1.2
58.54109	0.5
59.01378	24.9
59.14921	0.4
61.98827	0.9
63.07255	0.4
63.70145	0.4
69.03465	0.9
69.21571	3.4
69.21978	1.0
70.34177	0.4
71.01380	19.0
72.99297	1.5
73.02945	4.2
75.00873	1.1
83.01385	1.8
85.02947	4.4
87.00883	1.6
88.52579	0.4
89.02443	18.2
95.01392	0.7
97.02935	0.8
99.00867	1.2
101.02444	14.1
101.03106	0.9
111.08152	1.2
113.02447	6.3
119.03505	5.8
120.69650	0.5
122.63310	0.5
131.03500	1.1
133.02954	1.6
133.05070	1.5
135.04515	0.8
143.03481	0.6
145.02945	0.9
145.04988	0.4
149.04520	0.5
151.06108	11.7
159.02844	0.5
160.01669	1.0
161.02461	5.2
161.04565	1.5
163.03990	0.6
165.05702	0.5
165.12840	10.7
167.14433	1.4
169.01411	0.8
170.47969	0.6
175.04037	1.1
175.06116	0.9
177.04079	0.6
179.03554	0.8
179.05615	2.9
179.14423	0.6
183.13890	42.0
184.14183	0.6
195.05167	0.6
195.13966	0.6
197.15457	16.8
198.15846	0.6
205.07231	0.5
207.13828	2.4
209.11740	1.1
225.14969	2.5
227.12880	10.6
241.14412	0.7
251.12953	1.1
269.13940	0.6
285.04166	0.5
295.10425	1.8
313.11362	15.0
314.11636	0.6
405.17612	0.7
487.13113	0.5
505.23209	1.0
523.23981	100.0
524.24554	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.31688	0.4
57.03444	1.2
58.00586	1.1
59.01379	23.5
61.98820	1.7
66.54406	0.3
68.99845	0.4
69.03458	0.5
69.46268	0.7
69.46671	2.2
71.01382	18.8
71.05023	0.5
72.99310	1.3
73.02950	4.3
73.50154	0.3
75.00875	1.0
76.49515	0.4
83.01392	1.2
85.02945	4.6
87.00876	1.6
88.98753	0.5
89.02444	16.3
93.03452	0.7
95.01402	1.3
97.02946	0.6
97.06572	0.6
99.00878	1.3
101.02439	14.0
101.03109	0.7
109.02923	0.6
111.00917	0.5
111.08158	1.4
113.02464	5.3
117.03478	0.4
117.71448	0.4
119.03503	5.4
119.05029	0.7
125.02441	0.9
128.83401	0.3
129.01971	0.6
131.03510	1.0
131.27061	0.4
133.02943	3.0
133.05081	1.5
134.03749	0.3
135.02980	0.6
135.04547	1.7
137.02431	1.0
143.03511	1.0
145.02977	2.1
145.05037	0.4
149.04573	0.5
150.03040	0.3
151.06119	10.9
160.01668	1.0
161.02446	7.8
161.04572	1.2
163.04060	0.6
165.12845	9.8
167.14432	0.9
175.03973	1.5
175.06093	1.0
177.04071	0.8
177.05511	0.4
179.03494	0.8
179.05719	2.2
179.07104	0.8
179.14365	0.4
183.13892	44.1
184.14244	1.0
188.50536	0.4
193.05055	0.4
195.13901	0.6
197.15462	16.9
198.15791	1.1
207.13914	1.6
209.11876	1.8
225.14969	3.0
227.12877	10.6
233.85170	0.4
237.15073	0.6
238.76353	0.4
241.14417	0.9
251.12865	0.9
269.13815	0.8
295.10269	1.7
298.08444	0.5
301.00021	0.6
313.11383	11.4
361.29947	0.7
375.27679	0.7
387.16162	0.4
405.17972	0.5
461.14621	0.8
487.12396	0.5
487.16806	0.5
505.23230	1.0
523.23956	100.0
524.24518	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	523.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52341	2.0
57.03439	9.9
58.00604	2.9
59.01379	42.5
61.98822	3.6
69.03451	8.4
69.45522	14.1
71.01379	37.4
72.99308	3.9
73.02943	5.4
75.00871	37.9
81.93332	2.4
83.01390	5.7
85.02956	18.3
87.00876	15.9
89.02444	31.9
97.02941	6.7
97.06572	1.9
98.20690	4.4
99.00877	9.4
101.02456	23.5
111.00914	1.7
111.08131	4.5
113.02431	11.4
119.03474	11.9
125.02425	2.0
129.01950	20.8
133.03032	2.0
135.03008	15.5
135.04521	3.0
141.01929	4.8
145.02985	2.2
151.06096	16.1
159.02997	8.9
160.01669	2.6
161.02443	8.0
165.12834	49.2
175.03981	3.3
177.04028	50.4
179.03503	4.1
179.05620	4.7
182.92819	2.1
183.13884	94.5
184.14224	2.7
195.05096	29.4
197.15466	13.0
207.13791	3.8
209.11818	5.6
225.14925	4.2
227.12888	53.4
251.05687	2.4
251.12871	5.2
276.03210	2.4
289.01581	2.0
297.88007	2.1
313.11346	41.3
341.08914	2.2
345.15564	6.7
375.27252	3.4
387.16663	19.4
405.17590	52.0
406.18073	2.9
447.18704	2.6
505.19312	13.9
523.20850	100.0
524.20398	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	523.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
57.89357	0.5
58.00577	0.7
59.01379	11.2
61.98833	3.0
66.28735	0.6
68.39127	0.5
69.03448	1.5
70.74104	1.6
71.01376	4.4
72.99314	0.8
73.02943	4.2
75.00858	1.6
77.03951	0.5
83.01376	1.1
85.02946	4.3
87.00875	1.2
87.04485	0.8
88.25304	0.5
88.98798	0.8
89.02433	1.1
93.03449	2.2
95.01383	0.7
95.05016	0.6
100.37938	0.6
101.02435	2.3
108.02184	1.0
109.02927	1.6
111.76944	0.5
120.36988	0.6
121.02950	6.3
122.03752	3.9
123.04532	1.5
124.01722	0.7
129.01878	0.5
129.07182	0.5
129.55156	0.5
132.02162	2.9
133.02960	20.1
134.03728	2.3
135.02960	0.6
135.04572	1.3
136.01665	0.6
137.02467	0.8
145.02948	0.9
147.04546	1.4
149.02438	41.4
149.06056	3.4
150.03227	35.0
151.03680	0.6
153.01945	1.7
161.02379	1.1
162.03276	0.9
164.04803	10.2
165.05565	29.0
166.06339	5.2
167.07085	2.4
177.04106	0.6
177.05537	0.9
180.04256	2.0
181.08693	5.6
195.04861	0.6
195.06627	11.6
283.09741	1.2
312.12161	0.9
313.12851	1.5
314.11673	4.4
315.12396	2.6
327.14478	15.4
328.14670	1.5
329.13950	9.4
330.14407	0.5
331.17685	0.8
343.15521	0.7
361.14706	0.6
387.16528	2.4
397.80002	0.6
460.17416	1.1
465.08975	0.6
475.19711	100.0
476.19986	8.2
523.20306	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	523.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03391	2.0
59.01394	7.9
61.98835	2.2
63.73307	1.6
69.21216	15.3
71.01372	2.2
73.02950	4.9
85.02950	4.2
93.03462	4.5
93.35372	1.6
98.19912	2.5
109.03004	1.9
121.02940	9.1
122.03739	14.8
123.04472	1.9
133.02925	15.0
134.03709	2.0
144.85359	1.8
149.02443	36.9
149.06000	2.2
150.03221	100.0
161.02414	3.2
164.04799	7.5
165.05562	97.9
166.06232	4.9
167.07190	3.3
169.01312	2.8
180.04289	6.5
181.08688	7.4
195.04861	3.2
195.06628	47.6
196.06854	2.8
222.95442	1.8
283.09662	2.0
310.81848	1.8
314.11523	3.7
314.77374	1.8
327.14468	24.5
329.13907	8.5
475.19727	94.7
476.19846	8.1
523.21838	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	523.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.3
59.01381	18.5
61.98790	1.5
69.03425	3.9
69.58492	3.3
69.58899	2.9
71.01025	1.2
71.01382	17.8
71.26037	1.0
72.99279	2.6
73.02917	3.4
75.00871	33.2
77.38517	1.0
83.01352	1.8
85.02955	11.2
87.00874	9.5
89.02444	9.3
93.03422	1.5
97.02911	3.1
99.00890	5.6
101.02450	5.8
111.00832	1.7
111.08111	3.0
113.02381	3.8
119.03436	2.2
121.02860	1.1
125.02359	1.6
129.01936	13.4
131.03427	2.1
133.02866	1.3
135.02989	11.9
135.04466	1.9
137.02403	1.6
141.01872	3.8
145.02898	1.5
151.06038	3.0
157.48152	1.1
159.03008	6.1
160.01659	1.4
161.02414	5.3
165.11452	1.4
165.12836	27.5
175.04001	1.1
177.04039	36.3
179.03352	2.3
179.36401	1.0
183.13899	55.1
184.14156	2.5
195.05087	24.6
197.15392	2.6
207.13724	1.9
209.11693	3.2
227.12875	33.7
251.12711	3.4
281.06665	1.1
313.11374	9.3
345.15286	4.9
346.36041	1.1
387.16534	11.4
388.16989	1.2
405.17630	44.8
406.17853	1.7
427.38846	1.2
447.18903	2.0
475.16800	1.3
505.19308	9.8
523.19934	100.0
524.20636	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	523.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03442	2.9
57.06218	1.0
59.01376	19.6
61.98819	1.0
69.03452	1.8
69.53680	6.4
71.01382	21.2
71.39445	1.0
72.99307	3.3
73.02943	2.6
73.15697	0.9
75.00872	30.5
83.01383	2.6
84.02164	1.0
85.02943	10.9
87.00873	9.2
89.02447	8.6
92.85538	0.9
93.03455	2.7
97.02978	2.1
98.19880	1.2
99.00883	6.3
101.02441	8.8
105.01935	1.3
111.00855	1.4
111.04462	0.9
113.02434	5.2
117.01888	1.0
119.03520	2.7
119.05029	4.5
121.10219	1.5
123.04479	0.9
125.02441	3.1
129.01945	7.6
135.02992	2.8
135.04538	1.8
137.02452	2.1
139.04041	2.1
141.01991	1.5
153.02069	1.1
154.19641	0.8
155.03485	2.2
159.02985	2.6
160.04114	1.0
161.02464	2.9
161.04610	1.8
163.04019	4.3
165.09163	1.2
167.10817	2.8
169.01469	3.7
177.04048	40.7
179.03566	2.0
179.05605	1.2
189.04218	1.1
193.06674	0.9
195.04965	1.0
199.13376	1.3
207.08128	1.5
219.08162	0.9
225.11356	1.7
237.09242	3.0
253.08739	1.9
267.11316	1.3
269.14032	0.9
281.08527	1.1
297.07748	3.1
299.09128	1.5
311.10416	2.0
316.04877	1.0
319.08212	1.9
325.07410	1.1
331.11835	1.2
343.08572	1.7
343.12808	2.6
345.15533	10.5
371.09601	0.9
405.17776	2.6
406.13422	0.9
456.99118	0.9
477.14273	2.2
487.18256	5.4
505.13522	1.2
523.14349	8.1
523.20514	100.0
524.14020	1.4
524.21216	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	522.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.1
59.01379	14.9
61.98830	100.0
71.01380	4.8
71.05010	1.1
71.53102	1.0
71.53503	0.9
73.02941	4.6
75.00879	1.9
83.01400	1.5
85.02987	1.2
89.02441	1.8
101.02442	4.4
107.04377	0.7
109.02950	1.1
111.00836	0.7
111.76176	0.7
113.02473	2.2
118.71682	0.6
125.02487	0.9
135.03040	2.2
135.04491	1.5
135.99791	0.7
137.02339	0.8
149.04524	0.9
153.01974	1.1
161.02420	1.6
161.04626	1.2
169.01434	0.9
183.13948	2.5
227.13002	1.8
271.04739	1.3
331.19342	0.9
345.15625	1.6
378.28928	1.1
393.31802	2.8
394.31998	1.4
404.16333	0.9
425.30701	1.9
426.31140	3.2
459.12820	0.9
459.34766	7.0
460.35049	12.2
475.19745	1.4
492.19791	1.6
492.34415	0.9
504.19833	2.0
504.34378	1.0
522.20447	2.0
522.35480	1.2
523.21210	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	523.073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.2
58.93492	2.1
59.01379	30.4
60.05091	2.4
60.99305	15.3
61.98837	4.0
71.01380	16.4
72.99314	2.5
73.02948	7.5
75.00871	7.1
83.01385	5.7
85.02932	11.3
87.00861	3.7
87.04504	3.1
88.98808	100.0
89.02430	10.2
93.03473	4.8
96.96008	6.4
101.02447	17.2
108.02184	5.7
109.02937	4.3
113.02464	4.5
117.03468	4.7
121.02940	6.4
122.03751	6.9
123.04543	6.0
125.02463	5.8
125.09746	3.7
135.03014	7.4
135.04514	4.4
137.02419	6.0
137.99355	2.3
139.00372	2.1
139.04033	5.8
145.02937	13.0
146.03358	6.7
147.04485	3.0
149.02444	5.7
150.03258	5.1
151.00404	7.9
151.03961	2.8
153.01970	2.2
155.10808	7.1
157.08707	3.9
160.40654	2.1
161.02478	8.2
161.06068	3.5
163.03978	4.1
165.01894	2.8
165.05519	13.1
169.01279	2.8
171.10304	3.9
179.03473	2.7
179.07104	6.3
181.05092	3.5
181.12299	3.2
183.10295	4.5
195.06664	4.7
199.09761	3.9
201.11322	40.4
227.03410	3.7
241.14645	2.4
243.03128	2.8
243.12428	2.5
255.02985	13.3
271.02518	25.8
272.03018	2.7
300.02716	48.9
301.00085	4.5
301.03513	32.8
308.08640	2.4
319.13995	2.9
338.19284	2.3
346.14120	4.3
351.14526	2.1
361.16605	32.7
396.39258	2.1
405.17694	3.2
405.24850	8.3
409.78958	2.4
433.07733	74.1
434.08212	5.2
474.15186	4.1
475.15182	4.9
522.20288	3.2
523.21417	57.4
523.27850	31.0
524.21509	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	522.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10189	0.4
57.03456	1.3
59.01381	4.4
60.99307	1.9
61.98831	100.0
71.01395	1.9
71.05029	1.3
71.53799	0.5
72.99308	0.5
73.02952	0.8
73.78270	0.5
83.05045	0.7
85.02958	0.8
85.06569	0.5
87.00898	0.5
87.04521	21.4
88.04844	2.2
89.02453	0.5
95.05029	0.5
101.02492	0.8
101.06112	1.8
107.05070	1.0
109.06622	0.4
111.08171	0.5
121.03048	0.5
123.04607	0.4
125.02453	0.8
133.03017	0.8
135.03061	0.7
135.04536	0.4
145.03011	0.5
149.02460	0.5
150.03259	0.5
151.04013	4.1
160.01759	1.5
161.02492	1.6
165.05614	0.6
169.01472	0.5
175.04071	1.7
179.03540	0.5
183.13992	0.5
193.05128	0.7
199.09766	0.5
251.12938	0.5
253.14587	1.8
254.14851	0.6
293.13876	0.9
353.28812	1.4
354.29031	1.1
356.27078	0.6
359.28168	0.7
360.28662	0.5
369.28342	0.5
371.29623	3.3
372.29980	3.0
415.28741	1.6
416.29056	1.4
426.31104	0.5
428.32697	0.8
439.32394	0.7
440.32385	0.4
441.33813	1.4
442.34464	1.8
457.33542	0.9
458.33701	2.1
459.34842	17.6
460.35184	22.4
461.35684	0.7
473.32358	0.8
474.32758	0.6
477.36313	0.5
478.36884	0.8
485.33066	0.4
491.34085	0.9
492.34619	1.3
503.33948	5.4
504.34274	7.9
504.40869	0.5
521.35089	14.6
522.20221	1.4
522.35492	25.3
523.21979	1.7
523.34863	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	521.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45215	0.8
51.50079	0.8
54.80098	0.8
56.50108	0.8
57.03439	0.8
59.01378	35.3
61.98821	5.1
69.21301	7.8
71.01353	1.0
71.05016	4.8
80.96523	1.5
83.05006	1.5
97.03238	0.8
97.06620	1.4
141.09224	0.8
151.11305	0.8
152.99556	0.9
165.12717	1.1
171.10242	0.9
177.09148	0.9
189.12910	1.6
191.14482	1.2
207.14038	0.8
209.15509	0.8
253.50125	0.9
293.21231	1.3
321.20700	6.1
409.31134	1.0
421.31195	2.3
437.30838	1.0
439.32214	6.8
441.33389	2.7
443.31415	1.5
455.31625	1.7
457.33228	9.2
458.33453	1.7
459.34290	3.3
461.33063	2.0
473.32501	3.1
477.32452	2.8
485.33258	4.1
501.32315	6.8
503.30469	1.2
521.35114	100.0
522.35718	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	522.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45427	0.5
59.01383	3.9
61.98829	100.0
69.70049	4.1
71.01385	2.8
72.99342	0.7
75.00883	1.0
83.54971	0.7
85.02977	1.3
88.98799	0.6
89.02462	2.1
93.03461	0.8
101.02455	1.6
109.02952	0.8
116.00554	0.6
117.03485	0.8
119.05075	1.1
125.02479	3.8
133.02953	10.3
135.02992	2.0
135.04533	3.3
137.02475	2.9
145.02997	2.2
149.74643	0.7
153.01930	1.1
153.95029	0.7
161.02440	36.3
161.06110	1.0
162.02876	1.3
163.04091	1.5
169.01450	1.8
179.03468	3.6
191.05646	2.0
300.99881	1.1
333.81360	0.8
449.10953	0.9
459.15076	43.1
460.15558	2.0
522.19470	1.1
523.14825	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	522.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94495	0.6
53.49377	0.6
53.54852	0.5
59.01079	0.7
59.01380	29.8
61.98830	100.0
63.69405	0.7
69.50013	3.3
69.50430	1.6
71.01382	3.3
73.02945	1.6
74.08651	0.6
75.00865	1.4
78.59754	0.7
82.31656	0.6
85.02979	1.5
89.02461	1.3
101.02464	2.0
117.03456	0.7
125.02486	0.8
133.02946	0.7
135.04559	0.9
137.02423	0.7
145.02986	1.0
153.01959	0.7
153.05585	0.9
161.02489	1.5
169.01427	0.7
176.63939	0.7
179.03464	0.8
183.13861	0.9
195.03246	0.6
226.06654	0.7
309.39407	0.7
324.09476	0.7
329.19168	0.7
350.44003	0.7
373.22214	3.6
403.04523	0.7
415.23651	2.0
445.68011	0.6
459.13007	1.1
520.78912	0.7
522.20386	1.8
523.21600	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3486
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
57.03444	0.8
58.65533	0.8
59.01385	12.3
59.21658	0.7
60.99304	3.4
61.98818	1.1
65.15112	0.8
70.36450	3.0
70.67193	0.8
71.05022	6.0
73.02979	1.0
83.05038	1.3
87.04510	2.1
92.81991	0.8
93.25430	0.7
97.06564	0.9
99.08180	0.8
102.48085	0.9
109.06588	1.0
115.02760	1.0
143.10818	0.9
151.00587	0.8
187.27435	0.8
203.14471	0.9
235.13318	1.1
237.14992	1.3
247.13359	2.4
252.76974	1.1
255.15901	1.5
265.14355	1.0
276.02777	0.7
407.29364	2.6
423.33087	1.7
439.32275	6.0
441.28104	1.6
441.33789	24.6
442.34036	1.6
455.31732	2.3
459.35098	13.8
473.32803	1.7
477.32135	2.5
485.32828	5.9
491.33694	1.1
503.32935	1.1
514.71204	0.9
521.35321	100.0
522.35651	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	521.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01381	2.2
60.99305	2.8
61.98839	1.0
65.58376	0.3
69.22825	3.3
69.23985	0.3
71.01379	1.4
71.05030	1.6
73.02954	0.7
74.71303	0.3
75.00848	0.5
83.05025	0.6
83.34773	0.3
85.02940	0.4
97.06583	0.4
101.02481	0.4
106.86984	0.3
107.07125	0.3
119.04974	0.4
133.02951	0.4
135.03017	1.3
137.02402	0.4
145.03041	0.7
163.03923	0.4
191.09937	0.3
224.15704	0.3
261.79010	0.3
264.25864	0.3
331.64221	0.3
341.25333	0.4
367.26544	0.6
371.25906	0.4
393.31387	0.4
395.29257	0.4
409.30771	0.5
424.14020	0.6
427.32294	0.9
429.33725	0.8
439.32401	0.8
441.34079	2.0
459.09326	0.4
459.34671	3.0
475.34229	0.5
485.32806	0.7
491.32861	0.4
493.35318	0.4
503.30460	0.4
513.54468	0.4
521.34900	100.0
522.35248	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	521.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04220	0.7
57.03436	1.2
59.01370	3.0
60.99292	2.0
61.98822	2.4
63.50185	0.6
65.72308	0.7
67.11766	0.6
70.12849	0.6
71.01382	3.0
71.01775	1.4
71.05029	5.5
71.66815	0.7
73.02938	2.3
79.99766	0.7
80.18180	0.6
83.05035	1.3
85.02915	0.9
85.06566	1.2
87.00902	0.8
101.02435	4.9
109.02914	1.0
125.02409	2.6
149.99556	0.9
153.01920	1.3
153.57040	0.7
165.12851	3.8
168.00667	2.4
169.01349	0.9
183.13896	8.7
205.15962	1.6
227.12854	12.3
251.13042	1.2
329.16049	3.1
375.27063	1.1
377.28519	6.8
389.18124	2.6
391.30231	1.2
393.31647	19.3
394.31992	1.4
397.31216	1.3
407.29446	2.1
409.31268	2.5
411.32614	4.3
425.30609	21.5
426.30902	2.0
427.32104	8.7
437.30734	1.2
439.32166	1.6
441.34067	4.3
443.31760	1.2
457.32724	1.1
459.34781	100.0
460.35251	5.8
485.32877	0.9
491.33887	5.6
503.33792	5.7
521.13464	3.3
521.25610	3.1
521.34613	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	521.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18230	0.5
59.01379	8.0
61.98824	0.8
64.15022	0.6
69.39442	4.0
71.01391	0.9
71.05008	2.7
77.59438	0.5
78.95881	0.7
85.02910	0.6
97.06651	0.8
98.19889	1.1
98.33699	0.5
104.06013	0.5
109.06601	3.2
111.08153	3.7
123.08187	0.7
137.06126	0.7
143.88953	0.6
152.99568	1.1
195.13853	0.6
207.13907	1.4
209.15479	3.2
211.17041	1.5
253.14394	3.9
255.15996	17.7
256.16235	0.8
293.21219	1.9
357.19370	0.6
413.30237	0.7
441.33902	0.9
459.35025	5.5
477.35852	0.7
485.32761	0.7
503.34045	2.6
504.33817	0.6
521.34869	100.0
522.35315	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	521.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01372	1.5
60.99293	3.4
61.98802	1.4
64.61558	0.9
67.79009	1.0
69.99396	5.1
71.04984	2.2
73.02951	2.3
80.85378	0.9
82.57439	1.1
87.04511	25.4
101.06082	4.9
125.52921	1.0
129.75845	1.0
145.56572	1.2
205.16095	1.1
305.22421	0.9
323.23764	1.0
353.28421	2.8
355.26236	2.6
359.27948	2.2
369.27942	1.6
371.29413	5.2
377.27917	1.0
393.32007	2.4
394.13229	1.0
411.32693	3.8
419.29404	1.3
421.31012	3.2
427.32098	3.7
439.32285	4.7
441.33823	4.7
443.32007	1.2
457.33505	10.0
459.34760	100.0
460.35150	7.1
469.44907	1.0
473.32678	2.4
491.33621	12.1
503.33765	12.7
504.34055	1.9
521.34985	32.3
522.35266	2.4
535.31720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62810	0.6
59.01243	1.3
60.99155	7.3
60.99510	4.5
64.00716	0.5
69.28560	4.9
71.04850	7.3
71.05299	3.1
73.02818	0.6
79.11163	0.6
83.04837	2.2
85.06437	1.2
85.06878	0.6
107.24228	0.7
119.08502	0.7
121.02808	0.7
161.02202	0.8
169.10013	0.5
201.91156	0.5
205.15720	2.0
260.68518	0.6
289.19464	0.8
305.22491	0.7
329.10492	0.6
330.80777	0.6
345.21982	0.8
361.25323	0.8
377.28510	9.6
378.28842	0.7
389.28931	0.6
391.26089	1.0
391.30389	0.9
393.31589	29.5
394.31808	2.6
395.29462	0.7
397.31049	1.0
398.62482	0.6
398.67618	0.7
405.31592	1.7
407.29486	3.1
409.26477	1.1
409.31555	3.5
411.32809	6.3
423.32889	0.8
425.30594	31.3
426.30792	2.0
427.32120	12.6
428.32581	1.0
437.30661	1.1
439.32208	1.8
441.33887	5.4
443.31522	2.4
455.31589	0.9
457.33350	4.1
459.34778	100.0
460.35110	8.1
473.32767	1.9
485.32913	1.2
491.33749	27.1
492.33997	2.0
503.33722	5.8
521.34906	45.2
522.35284	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51847	0.9
55.01892	0.9
57.03445	1.8
58.00584	1.7
59.01384	34.2
60.99312	2.0
61.98836	5.4
69.64148	5.4
71.01386	13.7
71.05025	3.9
72.99313	7.3
73.02956	5.4
75.00898	1.4
83.01385	1.1
83.05032	1.2
85.02972	4.7
87.00887	2.3
87.04519	2.1
88.98823	2.3
89.02447	8.3
95.01408	1.3
97.06609	1.1
98.20613	2.2
101.02454	12.5
101.06001	0.9
103.04015	2.6
107.01419	1.0
108.02202	2.1
109.02957	4.7
109.03633	1.1
112.62361	0.9
113.02460	3.3
115.04017	1.5
119.03505	3.8
121.03021	0.9
123.00862	1.8
125.02468	5.2
131.03525	2.7
135.04520	1.2
136.01672	1.6
143.03531	2.3
145.02954	1.8
145.05016	1.1
151.00323	1.2
152.01270	1.1
153.01944	2.1
161.02499	2.2
161.04593	1.1
163.04074	1.1
163.06117	13.6
168.00644	1.7
169.01395	3.7
175.04010	1.4
179.03427	1.1
179.05728	1.7
191.51601	0.9
193.05089	1.2
205.07202	5.2
207.13977	1.3
227.07130	1.2
257.07928	1.0
281.00806	1.1
311.09164	1.9
315.18094	1.3
329.10309	1.3
338.21741	1.0
377.28488	1.8
393.31564	2.3
395.29370	1.8
397.31241	1.8
411.32571	2.9
417.13361	2.0
421.31268	3.4
425.30536	2.4
427.32254	7.9
429.33661	2.8
439.32190	8.0
441.34073	2.3
457.33359	2.3
459.34857	100.0
460.35068	7.1
461.23892	9.4
473.32675	2.2
477.17603	1.4
491.17175	5.5
491.33649	4.2
503.31290	0.9
503.32950	0.9
521.17590	6.4
521.33643	19.5
522.31897	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	521.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	32.8
61.98817	13.8
69.50224	31.1
69.50632	11.7
76.88881	6.3
78.37319	6.1
98.20623	13.9
368.79343	7.8
423.61639	8.6
467.31375	10.4
485.32806	100.0
486.33069	13.7
521.34332	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	521.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98815	17.2
68.04755	5.2
73.66316	5.6
96.63844	4.6
98.19863	13.7
110.19376	5.3
111.45971	5.3
132.38817	5.1
183.31134	5.2
213.94937	5.7
264.50119	6.1
374.77686	6.7
427.32468	6.8
455.31384	7.9
462.21603	6.1
470.91647	6.5
485.32767	71.7
521.34009	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	521.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79583	14.0
59.01363	65.4
60.00346	13.0
69.42111	13.9
71.24020	23.9
78.95904	32.4
90.65400	17.2
92.95277	14.4
96.95985	20.6
140.82126	15.5
152.99527	32.8
154.13141	15.0
162.72412	15.1
184.21878	16.1
234.23470	23.0
311.12369	15.0
521.30212	100.0
522.30737	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	521.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.3
58.00578	3.3
59.01379	100.0
60.06942	1.9
61.98820	21.9
71.01381	37.6
71.05017	3.1
72.99316	13.3
73.02946	25.0
75.00854	3.7
83.01399	3.6
85.02961	11.9
87.00887	5.7
87.04525	6.4
89.02452	28.2
93.63382	2.0
101.02441	47.2
103.04011	14.2
108.64982	2.0
109.02914	3.1
111.00951	2.0
113.02459	9.7
115.04010	5.9
119.03515	17.4
124.91173	1.9
125.02467	15.1
131.03520	7.1
134.03752	2.1
135.04637	2.6
143.03497	11.3
145.02907	3.3
145.05063	5.1
160.01712	3.3
161.02455	4.4
161.04613	2.1
163.06120	64.6
169.01453	16.8
175.03984	7.2
175.15239	1.9
179.05630	3.1
205.07172	26.0
250.10779	2.2
265.09360	4.3
335.60205	2.0
429.32642	2.4
445.06180	4.1
445.56021	3.1
457.33093	4.7
459.34814	20.8
461.23593	13.7
477.32327	3.0
503.33994	5.5
521.19818	5.7
521.32281	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	521.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	80.5
59.21145	4.4
61.98829	12.5
69.21974	41.7
69.67957	4.7
71.05023	10.1
80.96515	7.2
98.19875	9.9
150.52301	4.2
182.70193	4.5
201.58015	4.3
276.14127	4.5
353.36575	4.3
380.02969	5.8
423.32645	13.2
439.32031	23.4
441.33716	55.4
442.34052	6.0
444.89499	4.6
455.31766	10.9
457.33154	11.0
460.12222	6.0
473.32770	47.5
485.32529	30.4
521.07019	8.6
521.35443	100.0
522.35535	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	521.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48104	0.7
57.03442	3.2
58.00598	2.2
59.01070	1.2
59.01373	24.1
60.99307	5.7
61.98825	5.8
69.03451	2.3
71.01381	18.7
71.05019	3.6
71.53300	1.2
72.99319	2.2
73.02948	5.6
75.00893	1.6
79.82533	0.7
81.03452	0.8
83.01382	1.6
83.05038	1.0
85.02960	3.5
87.00876	1.1
87.04514	43.9
88.98807	0.8
89.02441	25.0
91.50179	0.8
95.01370	1.0
97.02963	2.1
97.06601	1.4
99.00867	5.5
101.02437	10.1
101.06079	7.6
107.01383	0.9
109.02939	1.2
113.02468	2.8
119.03494	1.5
119.05127	1.1
121.02888	1.3
123.00923	1.2
125.02447	14.3
131.03488	3.5
133.02957	1.1
135.04469	1.1
137.02457	0.9
142.58652	0.8
143.03514	1.8
145.03038	1.1
149.04541	12.7
153.01955	0.7
160.01735	0.9
161.02467	3.0
162.88771	0.8
163.04013	1.4
163.06171	1.1
166.06384	2.4
167.10742	4.5
169.01428	7.4
175.03987	1.3
177.02090	0.8
181.08679	1.0
191.05644	2.5
191.10838	0.9
193.05089	1.1
196.76323	0.8
209.11884	1.0
221.11862	1.2
226.61932	0.9
233.06653	4.4
275.07773	0.8
293.08780	13.0
293.18408	0.8
311.09760	1.2
321.21893	1.2
323.24072	1.3
331.49036	0.8
355.26639	3.0
369.05408	1.6
369.28122	4.4
371.29553	3.6
387.25244	1.0
413.30676	1.2
415.28519	1.9
423.32858	1.2
425.30789	1.7
427.32452	3.3
428.32599	1.2
429.33807	2.0
441.34052	4.5
445.06042	2.7
457.33371	12.6
459.34808	36.0
460.35394	2.0
473.32919	2.9
491.33704	1.2
503.33948	19.1
504.33932	1.4
520.33868	1.0
521.21576	2.9
521.35004	100.0
522.35175	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	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.4
57.03444	2.5
59.01381	58.0
60.99317	2.4
61.98828	3.3
69.03461	1.8
71.01382	53.1
71.02023	3.6
71.05025	2.4
73.02946	19.2
75.00894	2.4
83.01375	11.0
85.02953	22.5
89.02448	13.3
95.01376	3.4
97.02983	1.8
99.00890	9.2
101.01792	2.9
101.02440	38.0
103.03986	3.2
104.08501	1.7
109.02904	1.7
113.02438	18.5
119.03485	4.0
121.02954	52.7
125.02428	6.2
135.03035	1.6
143.03450	3.2
153.01888	1.7
159.02908	1.8
161.04559	28.2
163.06100	3.8
165.12869	2.5
169.01379	3.6
188.85963	1.5
196.59680	1.5
218.52190	1.8
283.08170	5.2
315.18079	39.8
316.18356	2.8
393.31479	3.4
403.19720	2.3
423.28171	1.6
425.30457	4.7
441.33624	2.4
459.34732	17.2
461.23898	100.0
462.24042	4.8
477.34262	1.7
491.33484	2.5
521.16437	5.7
521.35699	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	521.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33120	1.9
53.78680	1.7
59.01381	56.9
61.98838	10.6
71.01374	29.3
71.52509	2.2
72.99312	3.9
73.02953	2.6
73.77882	2.0
75.00873	24.3
83.01387	2.5
85.02955	7.7
86.08086	1.8
87.00898	3.4
89.02436	34.4
95.01362	2.2
99.04523	3.4
101.02417	13.7
109.02914	3.6
113.02481	9.9
117.01949	2.7
119.03507	10.2
125.02459	4.4
128.20995	1.9
133.02913	2.0
135.03001	80.8
135.04532	6.2
135.11757	4.0
153.01930	4.4
161.02455	8.0
161.04564	3.2
172.03986	2.4
175.02454	2.4
177.04086	2.5
179.05612	11.6
179.10780	35.3
191.05617	4.8
204.06705	2.3
207.40590	2.1
223.09758	38.0
225.09183	2.8
228.58812	2.1
238.11073	2.0
241.05176	2.2
253.44330	2.1
267.08041	2.2
297.12497	12.8
317.39398	2.0
323.02795	2.0
325.11923	2.3
341.12317	2.6
344.12775	2.5
355.12964	13.5
359.15027	6.7
367.68970	2.0
399.12009	7.0
401.13397	2.6
403.16025	24.4
431.14606	37.1
443.14597	3.1
461.15591	4.7
521.11395	4.6
521.18750	100.0
521.25543	4.1
522.18976	7.1
544.88696	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91312	1.6
55.01863	2.6
56.23648	2.1
58.00577	2.1
59.01382	21.3
68.84005	1.6
69.21442	10.2
69.21852	6.1
70.44491	1.7
71.01387	14.1
71.63389	1.8
72.99309	3.1
73.02941	4.3
74.99045	1.6
83.01374	2.1
85.02940	6.3
87.00866	2.6
89.02431	4.9
95.01325	1.7
97.10040	1.5
98.20679	3.3
99.00852	2.6
101.02428	10.3
107.60179	1.8
109.02946	2.0
109.56373	1.6
113.02425	2.9
121.02944	3.0
145.02911	3.0
149.02379	2.1
153.01915	2.6
159.04378	1.8
171.31494	1.6
205.32802	1.7
239.60808	1.8
265.08530	2.4
267.06494	3.4
268.07376	4.4
269.08273	4.3
270.08945	2.3
277.82413	1.9
280.07291	2.5
281.08255	9.2
282.08896	5.8
283.09677	5.5
293.08203	3.3
294.08789	2.1
295.09848	4.2
296.10715	2.1
299.09103	2.8
311.09256	5.0
314.11392	8.1
315.12262	3.7
326.11569	14.2
327.12259	9.0
329.13809	8.2
341.13898	8.9
355.12000	4.9
445.15430	1.9
473.14511	6.1
476.16867	10.0
488.16977	9.7
491.19193	86.6
492.19601	6.8
503.19214	100.0
504.19885	9.2
521.18610	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00569	2.9
59.01376	54.0
69.19343	2.9
69.34473	25.3
71.01379	43.4
73.02956	2.9
85.02946	7.5
87.00860	3.2
89.02440	47.9
95.01355	5.5
101.02443	14.1
108.02164	28.0
109.02950	77.3
113.02422	11.5
119.03508	18.0
126.16393	2.9
130.81889	3.2
135.04507	4.4
149.02449	6.9
150.03236	4.5
151.61765	3.4
152.01154	41.4
153.01929	73.4
164.04797	5.7
175.00342	6.4
176.01117	4.8
179.05684	6.5
190.02716	15.0
191.03467	7.7
205.05016	9.7
269.11844	4.1
283.09735	20.6
311.09204	42.9
312.78998	3.0
315.07254	34.7
325.10928	4.3
326.11566	25.9
341.13937	46.5
342.14059	4.3
353.08475	4.0
477.10364	3.4
521.12933	100.0
521.18921	4.4
522.12903	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	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
58.00581	4.5
59.01379	100.0
69.84779	3.0
69.85195	4.0
71.01383	57.0
71.05021	2.8
71.81927	1.2
72.99320	4.7
73.02961	2.3
74.66647	1.0
75.00877	2.5
81.03448	1.5
83.01413	2.5
85.02969	9.5
87.00864	3.8
88.86858	1.3
89.02445	75.7
93.03419	1.2
93.89482	1.1
95.01381	3.5
97.02954	2.0
99.00874	1.7
101.02448	33.5
108.02166	1.9
109.02936	3.1
112.56506	1.0
113.02457	21.1
117.03455	2.7
119.03502	33.6
119.04931	1.4
121.02980	4.0
122.03758	2.3
123.04559	2.0
125.02441	2.3
131.03482	2.2
133.02942	3.2
134.03671	1.6
135.04489	2.7
139.04013	10.1
143.03450	6.1
145.02971	9.3
149.02509	1.9
149.04597	2.8
150.03212	4.0
159.04471	3.0
160.01668	3.4
160.05354	6.0
160.30431	1.0
161.02440	8.5
161.04529	6.1
161.05901	2.0
163.04034	3.0
165.01903	1.1
165.05542	3.7
172.05302	4.4
173.06056	3.2
175.04005	4.0
175.07658	3.0
177.05539	1.5
179.03432	1.5
179.04013	1.3
179.05632	14.4
181.12357	1.7
187.07623	1.7
189.05576	6.6
190.06361	7.1
193.05054	2.1
195.06654	2.8
205.08688	6.2
207.89954	1.1
225.11275	1.8
281.08362	1.4
283.11087	1.4
296.10516	5.1
311.12921	4.2
329.14151	3.0
337.09305	1.2
341.13913	29.2
343.20981	1.6
356.10773	1.2
369.11957	5.5
447.50967	1.4
461.20157	1.9
521.20026	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	521.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
62.95345	1.4
65.44920	1.4
72.99291	2.3
73.02943	2.3
75.00867	35.0
81.03451	1.6
95.21817	1.3
98.20755	2.5
99.00888	1.6
113.81203	1.3
121.98306	1.3
143.03551	4.2
161.04539	4.2
170.40846	1.2
179.05602	100.0
180.06029	2.5
212.65523	1.3
248.05672	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80918	1.3
51.82473	1.5
59.01371	3.7
71.01357	2.9
72.99289	2.0
73.02956	2.7
75.00872	29.0
81.03444	1.9
87.00868	2.5
99.00829	2.2
123.03441	1.4
123.42001	1.5
143.03508	4.2
161.04533	3.6
178.26895	1.7
179.05608	100.0
226.53813	1.6
266.24118	1.5
272.91171	1.5
283.94778	1.5
334.81735	1.4
341.11047	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	521.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.0
59.01380	33.5
68.51299	0.7
70.89743	1.4
71.01379	18.9
72.99297	2.0
73.02931	1.1
75.00871	15.2
82.24788	0.7
85.02953	3.3
87.00883	1.3
89.02445	23.7
95.01394	1.3
95.43786	0.8
99.04514	2.4
101.02440	8.5
113.02435	5.8
117.01946	1.8
119.03507	9.7
125.02451	1.7
131.03481	1.3
135.02998	58.3
135.11766	3.5
136.03276	0.9
143.03491	2.1
149.04561	0.9
153.01956	0.8
161.02473	2.0
161.04539	1.5
161.09720	1.6
179.05618	6.1
179.10776	28.0
180.11151	0.9
190.34970	0.8
205.08612	1.1
223.09756	26.7
341.12238	4.5
359.17203	1.6
403.16037	10.9
404.16232	0.9
521.18719	100.0
522.19189	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	521.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76905	1.4
58.00592	1.7
59.01380	45.9
67.05509	1.3
67.13927	1.4
69.82030	4.2
69.82439	3.1
71.00999	2.5
71.01376	27.0
72.99307	4.1
73.02991	1.6
74.10093	1.5
75.00872	21.3
83.01379	2.0
85.02943	6.1
87.00861	3.7
89.02437	31.3
95.01352	1.6
99.04489	2.3
101.02433	10.9
104.06693	1.2
108.02091	1.2
113.02440	9.7
114.84939	1.3
115.00359	5.5
117.01916	1.5
119.03530	8.7
121.16648	1.4
125.02431	2.4
133.02916	3.1
134.03777	2.0
135.02997	58.7
135.04506	13.1
135.11810	3.7
137.02385	2.9
143.03503	1.6
145.02946	3.6
153.01941	2.3
157.01389	2.4
161.02454	16.3
161.04553	1.4
161.09712	2.8
161.22614	1.3
175.02464	7.8
179.03453	3.4
179.05595	4.6
179.10765	43.7
180.09607	1.5
223.09740	39.9
223.11873	2.8
236.65009	1.4
241.10709	2.3
248.56442	1.3
272.65967	1.4
316.02399	1.5
323.07684	5.6
341.12241	6.1
355.13065	1.9
359.17126	2.4
403.16077	21.6
409.75681	1.5
431.14709	3.4
479.25421	1.9
521.18701	100.0
522.19293	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	521.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
58.00574	1.0
59.01377	3.4
69.03426	0.7
69.46520	4.2
71.01384	2.2
71.05010	5.8
73.02942	0.8
75.00872	1.4
85.02943	0.8
87.00868	1.2
89.02436	1.0
95.05009	0.7
96.50255	0.6
97.02959	1.9
101.02419	1.5
113.02467	0.9
117.02649	1.5
117.03464	23.7
118.03779	0.6
119.03629	0.6
119.05045	10.5
121.02937	1.8
123.04494	0.8
129.02026	0.6
132.02174	1.5
133.02960	1.3
134.03714	2.8
135.02962	1.3
135.04538	1.7
137.02470	0.8
139.04007	33.0
145.02948	100.0
146.03296	2.4
147.04495	0.7
149.02417	4.1
150.03224	12.7
151.03946	1.4
160.01663	5.1
161.02460	3.9
161.05957	0.7
162.03227	1.7
163.03992	13.0
164.04762	0.7
165.01898	2.6
165.05582	7.9
175.03987	5.0
177.05531	0.9
179.03503	1.1
180.04308	0.8
183.02995	0.9
187.03929	1.0
193.05006	1.7
195.06581	6.8
204.92957	0.6
220.35796	1.0
235.06140	0.8
307.08194	27.7
308.08682	1.3
337.09338	2.6
359.14981	0.7
372.93732	0.7
403.15857	1.3
473.14490	46.2
474.14816	3.2
477.14267	1.2
485.14587	1.3
495.07590	0.8
503.16046	3.9
521.17609	2.2
521.26453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1664
Annotation	Albidoside
Peak:m/z	Relative Intensity
52.52279	1.5
59.01378	29.7
69.03443	1.3
71.01380	20.0
72.99304	2.2
73.02944	4.5
73.07741	1.3
75.00874	4.3
83.01402	2.7
85.02946	7.3
87.00869	6.5
89.02448	10.7
93.03428	2.0
95.01416	2.0
98.17209	1.6
99.00867	2.1
101.02431	11.3
105.03472	1.5
109.02947	5.9
111.00919	2.1
113.02449	6.2
115.00393	3.5
117.03466	27.8
119.03546	2.4
119.05022	30.4
121.02978	3.9
124.01633	3.2
125.02409	14.9
128.02380	1.6
129.01961	1.9
131.03468	1.5
132.02116	2.4
132.05792	2.2
133.02959	26.8
133.06577	5.7
134.03696	4.1
135.02982	8.5
135.04527	10.6
145.02950	100.0
146.03664	2.8
147.04518	3.5
149.02428	3.9
149.06082	3.0
150.03183	3.8
151.00362	4.4
159.04556	2.3
161.02438	74.4
161.06050	15.8
162.03232	18.2
163.04012	39.6
164.04601	2.1
165.05583	3.5
168.00670	3.3
169.01437	20.2
175.02466	9.4
175.03876	2.8
175.71831	1.6
177.04089	2.1
177.05521	14.0
179.03465	6.5
179.10788	2.3
180.04324	2.3
183.84914	1.4
187.04016	2.1
193.05000	2.9
195.06628	1.5
197.04416	1.8
205.05046	20.2
223.09750	4.8
235.06087	15.6
251.05507	1.9
265.07159	31.1
281.06622	1.9
283.10776	3.0
313.10742	1.9
325.09171	6.1
327.03525	3.5
331.06549	6.4
341.13235	1.7
344.12808	7.8
345.12399	1.7
359.15045	20.7
403.11185	2.9
403.15952	3.4
473.17758	1.6
477.10309	3.3
479.24911	1.8
503.15524	25.0
504.15805	3.3
521.09027	6.9
521.17444	41.9
522.19971	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
55.16034	0.4
59.01380	6.1
61.98826	1.1
69.16417	4.8
71.01389	4.5
71.05022	14.7
73.02943	0.7
73.76452	0.5
75.00864	1.2
83.01394	1.5
83.05078	0.5
85.02946	1.4
87.00886	0.5
89.02446	3.1
95.05025	1.5
97.02949	6.8
98.19865	0.9
101.02444	2.1
109.02927	0.5
111.39702	0.5
113.02442	2.3
117.03466	2.0
119.03508	1.0
119.05026	2.3
121.02999	0.5
125.02449	0.9
132.02176	5.5
133.02968	1.3
134.03754	6.3
135.03012	1.1
135.04533	1.8
137.02469	1.4
139.04013	100.0
140.04390	2.3
145.02948	11.1
147.04504	0.7
149.02425	1.3
149.06076	1.0
150.03206	2.2
151.03976	0.6
153.05582	1.5
155.10727	0.7
160.01662	17.8
161.02452	5.4
163.04005	6.8
164.04764	0.5
165.01950	1.2
165.05580	1.8
172.05334	0.6
175.04001	18.5
176.04436	0.8
177.04022	0.6
177.05534	0.8
178.02708	0.8
179.03484	0.9
181.05128	0.9
181.12328	1.1
183.02968	2.3
183.10283	0.6
191.07150	0.6
193.05083	4.8
195.06557	1.2
196.19432	0.4
205.05072	1.4
225.11458	0.6
235.06206	0.7
241.14507	0.6
243.12328	0.6
283.28146	0.5
295.08340	1.4
307.08286	3.1
310.35107	0.5
323.07715	1.1
327.12399	1.9
337.09271	10.4
341.13461	0.5
403.16116	1.0
419.79614	0.5
433.11343	0.5
473.14355	4.9
477.13971	5.9
479.24759	0.7
489.10614	1.9
503.15567	0.7
521.12366	6.5
521.18707	1.4
521.26166	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	519.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89099	0.5
59.01378	100.0
60.01707	1.0
63.38788	0.6
68.92894	0.6
73.04270	0.6
108.74614	0.6
111.15562	0.6
121.94846	0.6
137.74442	0.5
152.99696	0.8
157.36781	0.5
160.91948	0.6
161.54462	0.6
197.21783	0.7
215.83299	0.8
239.52258	0.7
255.07532	0.6
277.21545	0.8
302.43961	0.7
446.05661	0.6
542.42371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58199	0.8
59.01380	100.0
60.01732	0.9
61.98832	1.7
69.29048	6.2
72.33563	0.7
98.20603	1.6
107.11529	0.7
121.56624	0.7
152.99516	0.9
166.20970	0.7
333.20801	0.8
338.57248	0.9
387.94620	0.9
519.34698	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	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66975	1.0
59.01373	12.1
60.01698	1.5
61.98838	8.0
66.46093	1.0
71.37975	1.1
71.52654	1.0
78.95901	48.8
96.96925	5.5
150.98003	1.1
152.99580	100.0
171.00598	4.6
199.11974	1.0
393.31665	1.3
433.23535	24.9
434.23828	1.5
484.31317	1.2
520.26929	3.4
520.33630	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	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59700	0.9
56.39045	0.8
57.78924	0.7
60.99304	13.3
61.98821	6.2
66.11791	0.7
70.08774	3.5
72.10120	0.8
88.98803	100.0
97.23495	0.8
108.63042	0.8
137.59123	0.8
160.44334	0.9
161.02342	1.3
192.13850	0.8
196.36922	1.0
255.02859	1.4
431.09692	1.0
521.12695	0.9
521.20538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
70.99242	2.5
71.60904	0.9
95.67624	0.8
99.40742	0.9
103.92208	0.8
385.36499	1.0
519.32990	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	519.369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98815	1.0
79.95757	0.9
80.96512	1.2
96.96008	1.3
120.29076	1.0
160.10199	0.9
192.69542	1.0
256.97437	1.0
426.12918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98823	3.5
66.75003	0.9
71.52702	1.1
80.96523	1.5
114.12710	1.0
170.13683	1.0
253.71681	0.9
459.35019	1.5
525.63641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40518	1.0
59.01378	100.0
60.01707	1.0
70.27939	3.5
71.50575	0.9
79.87750	0.8
80.96512	2.8
83.39069	1.1
97.53211	0.9
166.91747	1.1
174.38170	1.1
185.54713	0.9
201.89691	1.1
388.40894	1.0
397.88159	1.1
439.96133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37563	0.6
55.95042	0.7
56.84244	0.7
59.01379	100.0
60.01726	0.9
79.25366	0.8
80.62255	0.7
97.99023	0.8
121.59631	0.9
131.89145	0.7
137.62550	0.9
172.63472	0.7
331.90735	0.7
519.33398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
80.37251	0.7
98.20675	1.3
101.68445	0.6
107.22395	0.7
125.20762	0.7
185.52165	0.7
188.15802	0.7
192.74614	0.7
262.72620	0.6
265.02933	0.6
277.21878	1.0
530.43280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3325
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
53.78440	1.1
57.03423	1.7
58.37425	1.2
59.01387	11.7
60.99286	1.5
61.98823	2.5
69.58104	7.2
71.01378	3.8
71.05020	38.8
82.00012	1.0
82.54850	1.0
85.02946	3.9
86.36677	1.2
87.04514	1.5
87.65781	1.0
88.36887	1.0
88.95568	1.0
96.57290	1.1
97.06579	3.0
99.00919	1.5
101.02450	2.7
111.24137	1.1
111.33183	1.0
113.02441	1.7
115.92104	6.1
117.03448	2.7
123.08131	1.0
136.01651	2.5
145.02922	9.0
148.01660	2.2
149.02486	1.1
153.05582	2.3
161.02402	3.4
163.03990	4.7
166.02740	2.6
170.09045	1.3
178.02690	3.7
181.05067	9.9
193.05058	7.2
195.13809	1.4
211.06165	9.1
255.17583	1.8
285.03915	1.4
289.19586	4.2
305.19278	2.0
305.22714	7.7
307.08212	4.7
319.24286	1.6
385.27457	2.9
391.30087	18.2
392.30347	1.7
405.27948	9.1
407.29535	3.5
408.29895	1.4
409.31122	4.7
421.30649	1.5
423.29025	16.9
425.30685	10.9
439.32053	6.1
441.30090	2.3
457.33224	100.0
458.33560	7.3
483.31113	1.5
489.32199	7.0
501.32602	6.5
519.18823	2.7
519.33661	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	519.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
65.32028	0.6
67.25090	0.5
70.94466	0.7
70.94807	1.2
95.38474	0.6
104.24957	0.6
105.27109	0.6
120.31317	0.7
491.16293	0.6
507.78235	0.6
519.32788	1.8
545.74414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.1
59.76078	1.2
69.33684	9.5
71.05016	8.6
75.00871	1.3
76.42754	1.3
97.06567	1.5
135.70935	1.4
280.16522	1.2
301.62372	1.3
319.24286	3.8
367.26358	2.8
387.26700	4.9
387.30731	4.1
393.24365	1.9
409.27298	1.8
421.30951	5.4
423.28189	8.0
439.32123	47.8
440.32449	4.4
441.34091	3.8
455.31671	2.8
457.33044	3.0
467.31891	7.7
473.32651	5.4
483.31326	2.5
485.32703	100.0
486.32983	9.7
501.32230	22.6
502.32446	3.0
519.33374	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	519.3326
Annotation	Linoleic Acid-biotin
Peak:m/z	Relative Intensity
59.01378	5.4
69.28148	3.2
69.28572	2.4
71.01408	1.5
71.05020	7.2
83.05031	1.4
92.72969	0.6
97.06591	0.9
98.19919	1.2
109.06595	2.1
111.08164	2.1
161.59377	0.7
189.12833	1.7
191.14406	1.1
207.13860	1.3
209.15468	3.3
251.12929	3.1
253.14427	14.6
374.69897	0.7
439.32175	1.6
457.33325	6.9
475.34122	2.4
501.31720	1.3
519.33252	100.0
520.33740	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	519.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36480	1.1
50.40559	1.1
59.01379	100.0
60.01719	1.3
61.98822	2.9
69.25542	6.0
69.25970	5.8
71.01404	3.1
71.05028	2.8
72.99299	1.3
87.67201	1.1
93.21070	1.2
95.45945	1.3
109.06588	1.6
112.60603	1.3
128.37836	1.1
146.27792	1.4
253.14542	1.4
314.44751	1.4
439.32089	2.3
441.29990	3.7
457.33218	7.4
475.34164	4.6
501.32214	2.1
519.33331	51.6
520.33618	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3325
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
53.31009	3.9
53.35889	3.9
59.01380	12.3
63.38046	4.3
71.05019	24.2
74.36514	4.7
74.59670	4.2
83.05029	7.4
100.69779	4.4
107.18481	4.2
192.44235	5.0
205.15991	8.5
216.67340	4.9
253.14412	5.8
278.99298	5.4
327.60736	5.3
351.27222	4.8
423.32681	19.5
439.32101	13.5
441.33646	97.0
442.33878	6.5
455.31680	6.7
457.33273	47.3
458.33713	6.6
473.32260	5.4
475.34521	8.4
485.32742	26.7
501.31952	12.5
519.33411	100.0
520.33435	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	519.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.1
59.01379	14.4
61.98831	18.1
67.85239	0.9
69.54404	6.3
71.01387	8.9
71.05005	1.7
72.99302	1.2
73.02932	3.5
75.00864	1.8
83.01363	1.3
85.02937	4.8
87.00870	1.9
87.04511	2.1
89.02433	3.2
93.03512	0.9
95.01418	1.1
97.06593	0.8
98.20598	0.8
101.02442	5.8
108.02150	1.7
109.02929	2.3
111.00924	0.9
113.02431	3.4
115.92077	1.3
117.02652	1.9
117.03465	35.1
119.05022	14.1
121.02943	1.5
123.04521	1.4
125.02448	2.1
132.02177	1.2
133.02959	25.4
135.02956	1.4
135.04536	9.8
135.98291	1.0
136.04810	1.2
145.02954	100.0
146.03285	2.6
150.03181	0.9
152.01128	2.4
153.01970	1.4
160.01740	2.0
161.02440	69.4
162.02777	2.8
163.02792	1.4
163.04022	15.3
165.12817	3.2
167.03453	1.8
175.03955	2.4
177.05585	1.5
179.03493	5.4
180.04085	0.8
183.13913	1.9
193.04926	1.0
207.13824	3.1
208.14197	2.4
211.09654	1.9
227.12883	2.1
309.07867	1.0
309.11713	1.6
324.10153	1.8
325.10846	4.9
339.12234	3.1
340.12949	1.2
341.12350	4.3
355.26395	1.0
383.14896	9.7
391.29459	1.1
419.00391	2.2
441.30176	1.3
471.31271	9.8
475.30414	3.3
483.18661	1.4
491.06287	2.1
491.20630	1.1
501.32532	4.7
519.05499	3.3
519.18689	99.0
519.32556	20.9
520.18811	7.4
520.33124	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1871
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01389	4.2
61.98835	1.2
70.70615	1.8
71.01376	5.6
73.02946	1.2
75.00876	3.6
85.02951	2.7
87.00895	1.2
89.02451	1.2
93.03446	1.3
94.76624	0.8
95.01361	0.9
99.00880	1.2
101.02460	2.6
113.02455	1.1
115.91302	0.8
119.03461	1.0
121.02950	4.7
122.03755	2.8
127.85585	0.8
128.19536	0.8
129.01949	1.9
131.12801	0.8
135.03011	2.3
135.04524	1.5
135.96921	0.8
136.01662	76.0
137.02391	1.8
138.03185	1.0
149.06027	1.2
149.84944	1.0
151.04008	100.0
152.04358	2.6
160.05276	1.3
161.02432	2.2
161.04538	0.9
161.09613	0.8
162.03024	1.5
163.04004	2.0
172.58716	0.9
175.07655	1.2
176.04701	1.0
177.04048	5.8
177.05594	2.5
179.03491	2.1
179.10791	3.6
189.05493	1.0
191.05559	2.6
193.05133	1.3
195.05077	1.2
265.06885	1.0
281.06778	1.4
336.28375	0.8
342.11050	5.4
357.13412	92.7
358.13800	7.8
383.13074	1.0
401.14658	4.0
464.57117	0.9
501.16058	1.3
519.17242	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	519.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54659	0.8
57.03432	1.9
58.61921	0.8
59.01376	9.1
61.98814	3.3
66.70705	0.7
68.99810	1.4
69.03451	1.4
69.67719	4.8
71.01376	8.6
72.99301	2.5
74.05007	0.8
75.00869	24.4
83.01401	2.1
85.02944	7.8
87.00882	6.7
89.02445	3.3
97.02944	0.8
98.19980	1.5
99.00873	7.2
101.02448	2.5
109.02940	2.0
111.00888	2.6
113.02448	0.9
121.02951	1.4
125.02494	1.7
129.01945	16.8
133.02946	4.0
133.06563	1.0
134.03767	1.6
135.04526	36.6
136.04852	1.5
137.02434	1.5
141.01945	1.6
146.31241	0.7
149.06064	2.7
151.03970	1.2
157.01443	0.7
159.02972	5.2
161.02438	28.4
162.02850	0.8
165.01875	2.3
177.01837	1.2
177.02185	1.2
177.04050	25.9
177.05530	3.5
178.02567	1.0
179.03491	36.5
180.03891	1.4
193.05104	0.7
195.05087	60.2
196.05397	0.7
215.07179	1.0
221.04573	8.4
251.05388	0.8
277.06979	1.2
281.06522	1.0
289.94836	0.9
303.05011	1.4
321.06036	1.0
323.07715	2.0
339.07141	16.8
339.11060	0.7
341.08798	2.5
357.08203	12.2
357.12247	0.9
378.45663	0.7
383.09891	1.7
420.50653	0.8
443.11926	1.1
465.10251	3.3
483.11285	1.0
501.12476	6.6
519.13525	100.0
520.13873	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	519.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94767	0.7
57.03441	0.9
59.01372	6.4
61.98835	6.3
71.01381	6.0
71.05003	1.7
73.02952	1.8
75.00862	1.2
76.88519	0.8
83.01355	0.9
85.02933	1.8
87.00862	1.0
87.04501	1.7
89.02429	1.4
98.20661	2.1
101.02435	2.8
109.02923	1.9
113.02439	1.3
119.05038	1.9
121.02966	7.8
132.02168	21.3
133.02971	5.6
134.03745	18.8
135.04552	4.1
137.02440	1.4
137.06039	2.2
140.01086	1.0
145.02933	1.1
149.06078	3.7
151.00366	1.1
160.01656	96.8
161.02420	8.3
161.04488	1.1
162.02750	0.8
163.04036	0.9
166.06351	38.3
167.06778	1.1
168.00626	1.9
175.03996	100.0
176.04410	3.4
178.02676	1.6
179.03439	2.5
181.05089	5.3
181.08669	14.4
193.03355	1.2
193.05043	17.0
194.05396	1.0
217.05031	1.2
235.06221	1.1
271.05942	0.9
305.13861	1.3
323.07779	0.8
337.09265	50.0
338.09488	2.5
343.10269	1.5
368.61365	0.8
455.31543	3.0
471.30969	3.7
475.34821	4.1
477.21063	1.0
483.18466	4.0
496.79800	0.9
501.32739	1.4
504.16431	1.0
519.18634	63.3
519.33557	19.3
520.19043	4.7
520.32990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1142
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01397	1.7
61.98854	1.2
64.23115	0.5
65.00340	1.2
67.21574	0.5
71.01392	1.1
85.02943	0.6
101.03906	0.7
107.01388	1.2
109.03001	0.9
117.03463	0.7
133.02914	0.5
135.04630	0.7
136.01723	0.7
145.02931	3.2
151.00346	5.6
151.04005	1.3
155.05089	0.7
159.04533	0.7
161.02460	1.8
163.00424	0.7
163.04051	1.0
171.04550	0.7
177.04065	1.0
178.02731	0.7
179.03450	0.8
179.10735	0.7
183.04539	2.4
185.02443	1.1
193.05026	1.1
199.04008	8.3
201.01910	0.6
203.03496	1.4
205.05095	0.8
207.93477	0.7
211.03990	1.1
215.03473	3.5
227.03484	6.7
228.03941	0.8
242.02217	2.3
243.00441	1.2
243.02962	23.8
244.03555	1.9
255.02959	17.3
256.03415	1.5
257.04468	1.4
270.01718	1.7
271.02460	41.3
272.03061	3.7
285.04028	4.0
286.04794	0.8
287.05588	0.9
298.00922	0.8
299.01947	72.4
300.02679	26.7
301.03204	0.9
313.03653	0.7
313.07214	0.7
314.04306	50.8
315.05063	100.0
316.05426	5.8
357.06308	0.9
457.16473	0.6
519.11304	41.0
520.11359	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	518.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12551	0.4
56.91491	0.5
59.01384	1.1
59.65457	0.5
60.71236	0.5
61.98819	0.6
71.01377	1.8
85.02974	0.6
88.38081	0.5
100.22083	0.5
101.02443	0.8
107.01377	2.3
111.41931	0.5
116.05062	3.0
123.00883	2.1
125.02451	14.2
139.00371	0.8
151.00366	1.9
159.03278	0.6
160.04034	100.0
161.02400	2.1
161.04324	3.1
162.02771	1.1
168.00658	0.7
169.01414	21.2
176.04375	0.7
191.15524	0.6
193.05087	0.9
194.05298	0.6
204.03014	2.3
241.03674	0.5
265.81760	0.5
313.05627	18.9
314.05997	0.5
322.09180	2.1
354.90768	0.5
355.10336	1.1
356.10550	1.3
366.08258	19.1
367.08243	0.6
474.10345	16.9
475.10706	1.2
518.09381	21.0
519.09662	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	519.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28172	2.5
57.03446	3.2
59.01381	41.3
64.42871	2.4
71.01375	14.7
71.52657	5.1
72.99332	4.5
73.02959	4.9
75.00879	12.3
76.09434	2.3
83.01415	3.2
85.02950	10.1
87.00893	4.7
89.02444	4.9
89.38352	2.5
93.03450	8.3
97.02985	2.9
99.00864	4.5
101.02446	5.1
103.76503	2.6
113.02459	7.2
117.03493	3.8
119.04951	3.6
121.76617	2.5
125.02457	16.2
129.01956	8.4
132.02228	2.6
134.82677	2.6
135.00883	2.9
135.02991	23.8
135.04510	5.1
135.11766	3.3
137.02437	3.0
141.01971	4.4
145.02960	9.9
147.04506	2.4
151.00354	4.0
151.04034	4.7
159.03012	3.5
161.02443	11.6
163.03975	5.2
165.04108	3.7
169.01457	4.7
173.04599	6.6
175.03870	2.7
177.01950	5.0
177.04074	12.2
179.10803	16.8
180.65123	2.3
181.01393	3.6
181.05061	4.4
181.08751	3.5
185.06065	3.2
187.02441	6.8
187.03922	3.7
191.05531	4.2
193.05029	4.9
195.04889	8.1
197.11835	5.9
211.06155	7.2
213.05542	3.4
223.09683	9.7
227.03476	49.7
229.05000	9.8
239.03409	2.9
241.05144	3.7
253.01413	11.1
255.02992	87.7
256.03506	8.8
257.04572	5.8
281.06793	3.6
282.01694	9.9
284.03256	91.1
285.04031	100.0
286.04254	4.4
307.08429	3.0
310.01218	4.3
311.01880	15.2
323.07681	4.8
329.02890	3.1
341.12494	5.5
346.45200	3.0
357.08258	3.2
401.14340	21.2
447.09335	69.8
448.09335	4.1
457.07657	4.9
475.08749	7.0
477.23511	6.6
501.06531	9.7
501.15576	3.4
519.07898	57.8
519.17072	64.9
520.17462	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	517.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17998	0.6
59.01378	100.0
60.01709	0.7
69.32825	5.6
70.71796	0.6
98.20594	1.4
114.90920	0.7
129.62289	0.7
161.38187	0.6
194.43469	0.8
279.31851	0.7
372.43484	0.7
380.25177	0.7
500.58658	0.7
517.32062	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	517.3533
Annotation	Oogoniol-3
Peak:m/z	Relative Intensity
59.01378	7.1
64.05675	0.5
70.06121	0.4
70.94606	0.5
70.94942	0.9
71.05009	3.0
157.22971	0.5
220.89165	0.5
249.44058	0.5
294.13254	0.5
375.64621	0.5
398.40808	0.5
419.29672	0.6
429.16751	0.5
437.30621	0.9
455.31503	0.6
457.33295	1.6
473.37112	0.7
487.34296	0.9
499.34354	11.8
500.34628	1.3
517.35370	100.0
518.35687	9.3
524.74072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88951	0.6
59.01377	100.0
62.22432	0.5
63.13396	0.6
120.44633	0.6
130.44794	0.6
225.10928	0.8
251.23041	0.7
305.64862	0.7
517.35498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07245	0.7
56.43246	0.7
59.01378	100.0
60.28835	0.7
68.69607	0.7
70.78343	0.7
76.09753	0.7
76.95261	0.7
142.66454	0.6
158.12514	0.9
183.77594	0.8
228.48932	0.7
229.41109	0.9
266.34457	0.7
300.82239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52004	0.6
59.01378	100.0
70.94408	1.4
82.83778	0.5
170.76910	0.7
204.74117	0.7
206.50218	0.6
215.60295	0.6
318.86896	0.6
452.93967	0.7
517.35974	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	517.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87472	0.7
59.01377	11.9
60.24914	0.9
61.98817	1.7
63.61525	0.8
69.29872	6.6
71.01396	3.9
85.02944	1.6
89.02451	2.2
99.00906	0.8
101.02439	1.9
113.02450	2.2
114.49184	0.9
115.92068	1.7
116.92866	5.2
117.03447	0.9
119.05006	0.8
125.02396	0.9
132.02165	19.9
133.02959	3.3
134.03738	20.4
135.03001	1.0
135.04559	5.4
137.02406	1.1
139.40857	0.7
144.99767	0.8
145.02966	2.2
146.03732	35.4
147.04395	2.2
149.06067	4.3
154.53506	0.8
160.01656	77.5
161.02295	3.4
161.06075	8.8
163.04028	1.3
164.03487	1.6
164.04791	22.5
169.01527	1.2
175.03999	100.0
176.04385	2.6
177.01921	2.0
177.05576	0.7
177.89017	0.7
178.02661	2.3
179.03511	2.1
179.07126	32.9
191.07155	1.0
193.05031	18.2
202.02902	0.7
217.05046	1.4
235.06136	1.0
337.09262	88.1
338.09625	4.5
399.16550	1.1
407.07773	1.8
457.20779	0.9
517.17181	32.7
517.31250	1.4
518.17651	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	517.317
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
50.63507	0.5
59.01376	1.5
63.92836	0.5
69.15807	0.5
71.05002	2.6
73.03010	0.5
78.30461	0.5
95.05022	1.3
111.04504	0.6
113.06098	0.8
119.08683	0.7
236.01230	0.5
264.03448	0.6
307.20795	0.8
321.22238	6.4
323.23776	0.9
335.23895	1.0
339.53262	0.7
353.24799	0.6
387.25406	2.2
389.26953	41.4
390.27359	3.1
401.26993	2.2
403.24887	4.1
407.29538	0.8
429.30106	10.2
430.30035	1.2
433.25912	0.9
445.29666	2.5
455.31799	3.1
473.32675	11.9
474.33139	0.9
517.31689	100.0
518.32092	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	517.3168
Annotation	Presenegenin
Peak:m/z	Relative Intensity
56.80948	0.6
59.01379	8.6
70.39014	2.7
71.05024	1.4
71.12975	0.7
72.61586	0.6
86.17719	0.6
92.72884	0.8
98.76956	0.7
104.13638	0.7
123.10822	0.6
152.53262	0.8
167.73732	0.7
377.28256	0.9
395.29517	1.0
421.27316	1.7
439.28528	11.4
440.28635	0.9
455.25589	1.4
455.31668	21.9
456.32077	2.2
473.32660	8.0
499.30612	5.6
517.31616	100.0
518.32080	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	517.3528
Annotation	Methyl quadrangularate I
Peak:m/z	Relative Intensity
59.01378	41.2
61.98808	2.7
65.74542	1.2
69.27831	3.8
69.28252	5.3
71.05013	4.6
73.02953	1.4
75.00883	1.0
80.45414	1.1
83.05016	2.4
90.02148	0.9
97.06622	1.1
109.06592	8.2
122.18871	1.1
123.08138	1.5
137.09763	1.1
150.64557	1.1
189.12886	1.2
191.03983	1.0
277.05692	1.0
287.20135	2.3
289.02365	1.1
305.21231	11.2
319.22879	1.2
326.05020	1.1
407.29382	3.3
419.29489	3.2
421.30872	2.6
422.28516	1.2
423.32968	5.2
425.30563	2.8
437.30649	5.9
438.30704	1.2
439.32162	1.9
441.33850	8.3
450.96338	1.1
455.31720	6.9
471.31116	4.2
473.32861	5.1
483.31152	13.6
485.32654	17.1
486.33221	1.7
499.30450	5.2
517.35980	100.0
518.36249	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	517.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.1
59.01384	19.5
61.02068	2.1
67.01894	3.8
69.03467	5.5
70.83280	3.7
70.83613	3.1
71.01382	30.1
72.99310	48.4
73.02947	44.3
75.00890	2.8
79.93656	1.9
83.01392	4.0
85.02955	49.4
87.00880	9.1
89.02437	5.8
95.01384	12.5
95.90144	2.0
96.50893	2.0
96.96054	2.2
97.48086	1.9
98.02515	1.9
98.20001	2.1
99.00877	13.3
100.87556	1.8
101.02441	23.0
103.04012	4.4
111.00867	10.7
113.02457	85.6
113.95309	2.4
114.02835	2.3
115.00394	10.5
119.03516	3.2
128.89221	2.2
129.01942	21.1
131.03508	51.5
139.00356	4.1
157.01402	21.2
168.95515	3.4
175.02481	100.0
179.05560	3.2
182.99249	3.6
191.05606	4.4
218.93147	2.8
270.34958	2.0
293.08768	7.9
325.01706	3.9
332.96521	9.1
337.07599	4.6
373.61102	2.2
389.69727	2.2
457.11951	5.6
516.97015	3.5
517.14148	47.0
518.14508	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	517.156
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
52.90996	0.9
57.03432	0.9
59.01105	1.7
59.01381	22.0
69.03432	1.2
69.42056	3.9
69.42479	2.9
71.01004	1.7
71.01382	21.6
73.02937	5.1
75.51796	0.9
75.98051	0.9
83.01391	2.1
85.02957	6.0
87.00876	6.4
89.02444	21.6
99.00895	5.0
101.02434	12.4
103.00503	0.9
111.00860	1.3
113.01788	1.0
113.02458	8.1
117.03442	3.6
119.03525	1.7
125.02459	5.0
131.03503	3.2
132.02156	14.3
133.02945	4.3
134.03745	60.9
137.02422	2.4
138.06863	1.4
143.03510	1.6
147.04559	2.0
149.04555	5.2
149.06071	8.1
152.08449	3.4
153.05583	1.0
153.09227	4.2
156.60054	1.0
159.04485	1.1
160.01653	80.3
161.02281	4.4
161.04593	3.7
163.04007	1.4
173.06067	1.3
175.03996	100.0
176.04677	6.1
178.02695	6.5
187.14453	1.0
191.05611	3.0
191.07161	8.2
193.05048	86.0
194.05385	2.0
195.06671	1.6
205.12334	7.1
207.06593	2.9
233.06642	2.1
235.06119	27.7
265.07205	9.0
293.08841	3.4
295.08163	9.1
337.05875	1.1
337.09232	5.7
341.10931	2.6
355.10162	5.1
364.25037	0.9
471.12906	1.1
517.15692	62.3
517.22913	11.1
518.16083	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76562	1.0
54.16317	1.0
57.09641	0.9
59.01369	5.8
63.40674	1.3
69.48739	6.4
71.01389	4.6
73.02969	1.8
74.42843	1.1
85.02962	2.5
98.19927	1.9
99.92584	2.9
101.02435	1.9
109.02940	1.1
111.00906	1.5
113.02471	2.4
115.92071	5.4
116.92101	0.9
116.92861	21.5
121.02917	1.2
132.02162	1.2
133.02956	34.0
134.03740	39.3
135.03015	1.8
135.04535	38.1
136.04851	1.8
137.02444	9.3
139.04024	1.7
149.06097	12.4
158.17226	1.1
161.02440	100.0
162.02786	3.1
175.03987	2.6
177.05537	6.7
178.02715	28.1
179.03502	24.3
189.05782	1.2
193.05051	43.1
194.05350	1.8
203.03639	2.0
209.94376	0.9
221.04582	8.5
263.05582	1.5
280.05917	1.6
323.07693	96.4
324.08017	5.0
517.13629	31.7
517.20758	2.4
518.13788	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	517.1349
Annotation	CHEBI:66280
Peak:m/z	Relative Intensity
59.01384	7.4
61.98817	4.1
68.59853	0.8
69.64386	2.2
69.64802	3.3
71.01373	3.3
72.99300	0.9
73.02946	1.1
75.00884	1.2
75.70985	0.8
89.02444	1.6
101.02451	2.1
105.01943	1.1
107.04964	1.5
113.02460	1.2
115.92084	2.2
116.92871	7.9
117.03450	3.6
119.05020	2.2
121.02921	1.8
125.02449	1.1
126.36619	0.9
132.02196	2.7
133.02956	30.6
134.03745	32.7
135.04521	72.0
137.02426	5.8
139.04008	1.2
145.02945	8.0
149.06049	9.0
156.65137	0.9
159.04477	1.2
160.01677	2.4
161.02437	100.0
162.02806	3.8
163.03947	1.8
169.01399	1.8
175.04028	2.3
177.05588	3.2
178.02705	18.1
179.03493	67.5
180.03819	1.9
182.06535	1.1
193.05061	21.0
203.03439	1.7
209.08075	1.3
221.04520	4.5
233.04382	0.9
244.72920	0.9
263.05499	1.2
280.05786	1.0
306.07449	1.0
307.08344	6.6
323.07693	46.4
323.11536	2.3
324.08157	2.1
335.03918	1.0
337.09290	2.6
367.40057	1.0
473.14871	4.4
517.13562	47.0
518.13623	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	517.1349
Annotation	CHEBI:66280
Peak:m/z	Relative Intensity
59.01376	0.9
61.62542	0.4
67.51186	0.4
69.18013	3.9
69.18405	0.9
71.01363	0.7
78.95658	0.4
94.89577	0.4
98.19927	0.9
105.03462	0.6
117.03459	0.8
132.02144	3.0
133.02957	31.0
134.03764	3.7
135.04523	15.4
136.04897	0.4
146.49179	0.4
147.04471	0.8
148.05289	0.9
149.06071	1.8
160.01671	3.4
161.02435	100.0
162.02771	3.0
163.03891	0.4
175.04010	4.1
176.04735	1.0
177.05507	2.2
178.02695	0.6
179.03494	19.7
179.56746	0.4
180.03835	0.6
191.07132	1.4
193.05023	3.1
203.03456	2.8
207.06561	0.8
221.04547	3.0
235.06126	2.1
251.05566	2.8
265.07056	1.1
281.06610	3.8
295.08054	1.0
323.07663	5.7
337.09308	2.0
341.08734	4.4
517.13440	11.7
517.31921	0.6
518.14178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23636	0.6
57.72395	0.6
59.01377	69.4
61.98824	3.0
64.80865	0.5
69.65628	0.8
69.66033	2.7
75.10091	0.5
90.97141	1.1
101.97505	0.6
118.96620	0.7
132.98177	1.9
154.32547	0.5
157.03627	0.9
174.99245	26.8
201.02562	13.8
202.02679	1.3
217.00285	100.0
218.00645	1.9
233.15518	0.7
308.64716	0.6
322.38367	0.6
343.03467	1.2
359.01456	11.1
360.01434	0.7
374.99194	55.7
375.99652	1.8
389.28091	0.6
402.40292	0.6
433.09277	0.6
489.11597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0287
Annotation	Dithiazanine iodide
Peak:m/z	Relative Intensity
59.01385	1.6
71.01385	1.2
71.51445	0.9
71.51877	0.8
75.00876	0.9
83.01408	0.7
85.02916	2.4
87.00845	1.4
90.80533	0.9
92.55216	0.8
93.03419	0.9
95.01393	1.8
96.96015	7.0
98.95580	6.3
99.92582	26.0
100.93361	1.2
108.02159	2.8
109.02942	1.1
115.91310	1.2
115.92079	13.4
116.92857	100.0
117.92876	3.0
123.00888	13.5
125.02474	1.5
133.02971	1.4
135.04491	3.5
152.01128	6.6
153.01924	1.3
156.50583	0.7
160.01631	1.0
161.02402	5.3
161.81195	0.7
163.00377	0.7
168.27075	0.7
169.01440	1.0
175.04018	1.1
175.06158	1.8
179.03519	2.8
191.05606	4.9
191.95180	1.0
193.01448	1.1
193.04913	1.2
193.07135	3.6
195.85120	0.8
207.94684	12.6
208.94920	0.7
229.95264	0.9
234.93359	10.3
235.94148	5.8
236.94754	1.0
244.97540	1.7
251.93672	1.9
263.93695	1.6
271.09915	1.3
275.01920	1.2
285.06165	2.3
323.07751	2.8
332.96869	1.5
347.00485	1.0
350.98050	2.5
384.98654	1.5
423.00244	1.1
427.08984	0.8
450.99789	6.2
454.10883	1.1
473.03928	2.2
481.00760	16.0
481.07086	1.4
482.00833	1.9
516.14392	1.1
517.02911	45.9
517.15100	2.7
518.03192	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	515.3374
Annotation	CHEBI:66783
Peak:m/z	Relative Intensity
57.03435	0.9
59.01379	100.0
69.40473	4.2
69.40891	2.3
71.05013	2.0
74.16903	0.8
102.27666	0.9
104.51735	0.8
115.37138	0.9
152.38123	0.9
208.40678	0.8
362.78256	1.1
407.33301	1.3
421.31396	1.7
426.09830	1.0
437.30728	2.0
453.30112	2.4
455.31540	8.4
469.33722	2.5
497.32800	7.7
515.34064	78.6
516.34235	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	515.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22947	0.6
56.92084	0.8
59.01379	100.0
60.92079	0.6
61.98838	1.0
71.60512	0.7
73.73426	0.7
103.36884	0.7
135.98016	0.7
239.55682	0.7
286.18359	0.8
305.17319	0.8
515.36267	1.2
521.39160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66631	0.6
56.10208	0.5
59.01379	21.1
65.09159	0.6
69.93581	0.6
71.04996	1.8
71.53358	0.7
421.31165	4.2
437.30139	0.8
455.31473	1.9
465.30389	3.2
497.32770	9.3
515.33746	100.0
516.34131	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	515.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42383	0.4
59.01379	100.0
61.98830	1.1
71.05013	0.8
87.04500	0.4
90.45374	0.4
93.19978	0.4
100.46713	0.4
274.83557	0.5
287.22388	0.8
300.99936	0.8
309.57974	0.4
453.30087	0.9
455.31882	0.9
471.31262	1.4
497.28842	1.1
515.30713	9.3
516.31030	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	515.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98827	16.0
66.17741	1.3
71.53466	2.1
82.36184	1.4
92.38187	1.1
95.09846	1.3
118.57713	1.2
125.68288	1.2
130.43094	1.3
161.76566	1.3
172.10634	1.2
177.89433	1.2
252.17860	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	515.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.7
66.65711	0.3
70.11454	0.6
70.11844	0.9
74.16467	0.3
80.21892	0.3
96.92906	0.3
96.95998	0.3
106.04227	0.8
107.05045	0.9
130.11137	0.3
131.26283	0.3
150.35332	0.3
163.11287	33.4
164.11653	0.9
175.11313	1.6
176.12073	1.2
177.09215	0.6
177.12840	3.3
190.10002	1.0
201.12865	0.5
208.11044	3.6
241.68703	0.3
281.15518	1.8
282.16272	4.1
283.17014	6.7
293.15466	1.1
295.17105	0.6
313.86972	0.3
339.23270	100.0
340.23621	6.6
349.21701	0.5
351.23282	6.5
421.83524	0.4
443.97495	0.4
515.35303	77.4
516.35614	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	516.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.1
61.98827	8.5
69.43212	7.3
69.43616	2.2
69.44272	1.5
71.01392	3.8
72.99300	1.3
73.02943	1.5
81.84522	1.5
85.02950	5.5
93.03464	2.4
93.14289	1.4
95.01407	1.7
101.02444	2.8
107.01376	5.3
108.71395	1.7
109.02909	1.9
111.00880	2.6
113.02441	3.5
119.03658	1.6
123.00887	11.8
124.01667	11.5
125.02444	27.2
132.02101	1.5
133.02934	2.7
134.03743	3.0
135.02971	1.6
135.04510	3.4
139.00345	5.0
139.04015	5.4
140.01204	2.4
151.00349	6.7
154.99774	1.9
160.01630	4.6
160.70947	1.4
161.02475	11.3
162.02759	5.4
163.03954	2.2
167.03468	1.9
168.00641	6.4
168.58563	1.3
169.01414	34.5
174.92598	1.4
175.03966	6.3
179.03506	2.5
183.02968	3.7
191.05618	26.4
191.07193	1.9
192.05934	9.7
193.05028	4.1
223.02467	1.4
235.06046	2.2
285.05756	1.8
313.05618	5.7
323.07623	4.4
324.08148	8.3
376.74887	1.7
453.10345	100.0
454.10483	6.7
516.13800	8.4
517.14990	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	515.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
56.66866	1.7
57.03428	2.0
59.01376	75.4
71.01373	60.7
71.04990	2.7
72.99297	2.3
73.02940	23.9
83.01367	2.5
85.02945	16.0
87.00859	2.1
89.02441	72.1
95.01378	5.0
99.00876	100.0
100.01192	1.5
101.02431	27.2
113.02444	42.5
119.03481	10.4
131.03490	15.6
143.03445	4.6
149.04552	48.1
161.04536	22.7
179.05484	2.9
191.05591	41.6
207.83377	1.3
233.06584	5.6
381.76782	1.3
453.29547	3.6
471.30804	6.5
479.33649	1.8
497.28867	1.8
515.29279	49.3
516.29895	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	515.3008
Annotation	8beta,9alpha-Dihydroganoderic acid J
Peak:m/z	Relative Intensity
57.03451	0.7
57.39691	0.6
59.01369	4.1
61.98832	5.8
69.03479	0.6
71.01390	0.9
71.05024	2.2
71.53310	0.6
71.53659	0.6
73.02938	1.2
83.05016	0.6
97.06545	0.6
101.02472	0.9
101.50797	0.6
165.12738	0.6
169.01442	0.6
176.98152	0.7
181.00502	0.7
203.14359	0.6
300.99872	0.9
339.23251	1.1
341.24924	0.7
367.22754	3.5
381.24207	0.9
385.23868	0.9
387.25385	37.5
388.25668	3.2
399.25418	1.8
401.23346	2.7
411.28964	0.7
423.29504	0.8
427.28391	7.9
431.24353	0.8
435.28781	1.4
443.28052	1.6
450.81766	0.6
453.30164	5.4
471.31107	11.0
485.29401	0.7
497.28882	1.0
515.30109	100.0
516.30450	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	515.3012
Annotation	CHEBI:88298
Peak:m/z	Relative Intensity
57.03453	0.9
59.01378	6.5
61.98816	2.2
63.40408	0.6
69.61828	3.4
69.62235	1.3
71.01380	1.1
71.05015	7.5
83.05009	1.2
85.06588	0.9
117.03470	1.3
119.05053	0.9
145.02997	3.4
163.03975	1.4
165.72836	0.8
193.10451	0.7
205.05199	0.8
217.86588	0.7
265.07211	1.7
277.19644	1.1
300.99869	0.9
361.25070	0.9
363.26859	4.7
377.24893	2.8
393.28094	1.4
395.25876	1.6
409.31052	2.0
423.29211	2.7
441.30020	1.8
453.30099	22.9
454.30487	2.0
467.27628	1.1
471.31186	27.8
472.31445	2.7
497.29102	6.1
498.29593	0.9
515.30109	100.0
516.30542	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	515.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72630	1.3
55.01881	1.4
58.00579	1.6
58.03118	1.1
59.01113	1.5
59.01381	24.2
67.16822	1.1
69.03466	1.6
70.68108	3.5
70.68475	1.7
70.96065	1.0
71.01385	20.1
72.35036	1.2
73.02944	22.4
76.46563	1.5
81.03457	3.0
83.01367	2.4
83.05037	8.6
85.02955	7.7
87.00842	2.4
89.02444	23.1
93.03461	55.0
99.00872	7.4
99.04526	6.4
101.02435	11.4
109.02959	1.3
111.04530	22.4
113.02441	11.5
115.93895	1.2
119.03506	9.5
129.01907	3.4
131.03461	1.6
135.04492	1.8
137.02446	14.6
143.03564	6.4
155.03519	11.2
155.66428	1.5
161.04549	2.9
173.04553	100.0
174.04874	2.6
179.03711	1.5
179.04008	1.7
179.05624	14.1
191.05618	21.3
220.42268	1.3
238.49741	1.3
246.77940	1.3
298.68686	1.2
341.10867	74.2
342.11069	1.8
353.08774	2.6
361.20209	1.4
515.15710	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	515.2856
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
50.26905	0.7
54.75015	0.7
55.01878	4.7
55.56389	0.7
57.03450	3.9
58.00601	1.3
59.01378	28.4
69.21684	7.9
71.01379	58.6
72.99310	2.1
73.02556	1.4
73.02943	21.4
75.00879	1.4
81.03422	0.9
83.01368	6.3
85.02947	24.3
85.03471	1.2
87.00875	2.3
89.02439	12.3
95.01366	4.4
97.02959	1.6
98.01530	0.7
99.00278	1.2
99.00880	14.9
101.02441	32.1
101.03112	1.7
107.28487	0.8
111.00867	2.2
113.02445	23.8
114.52679	0.8
118.54873	0.7
119.03493	3.1
119.62871	0.7
125.02444	1.9
129.01941	1.8
131.03506	1.9
143.03435	2.6
149.04524	1.7
159.02989	5.7
161.04546	32.3
162.04810	0.8
191.05592	1.3
191.58444	0.8
383.24283	15.2
384.24600	1.1
453.29977	0.9
497.28925	1.0
515.28632	100.0
516.28949	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	515.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72630	1.3
55.01881	1.4
58.00579	1.6
58.03118	1.1
59.01113	1.5
59.01381	24.2
67.16822	1.1
69.03466	1.6
70.68108	3.5
70.68475	1.7
70.96065	1.0
71.01385	20.1
72.35036	1.2
73.02944	22.4
76.46563	1.5
81.03457	3.0
83.01367	2.4
83.05037	8.6
85.02955	7.7
87.00842	2.4
89.02444	23.1
93.03461	55.0
99.00872	7.4
99.04526	6.4
101.02435	11.4
109.02959	1.3
111.04530	22.4
113.02441	11.5
115.93895	1.2
119.03506	9.5
129.01907	3.4
131.03461	1.6
135.04492	1.8
137.02446	14.6
143.03564	6.4
155.03519	11.2
155.66428	1.5
161.04549	2.9
173.04553	100.0
174.04874	2.6
179.03711	1.5
179.04008	1.7
179.05624	14.1
191.05618	21.3
220.42268	1.3
238.49741	1.3
246.77940	1.3
298.68686	1.2
341.10867	74.2
342.11069	1.8
353.08774	2.6
361.20209	1.4
515.15710	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	514.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63924	0.2
53.95227	0.2
56.26553	0.2
58.19598	0.2
59.01388	0.3
61.98830	100.0
69.41058	1.0
69.41484	0.7
82.63993	0.2
105.32178	0.2
124.01637	0.2
125.02496	0.3
125.82460	0.2
149.99681	0.2
168.00603	0.5
207.98824	0.2
281.06805	0.2
285.69739	0.2
515.17804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	56.9
69.98980	5.5
69.99372	6.5
71.01382	43.8
72.99312	4.8
73.02932	5.3
75.00873	4.8
83.99947	3.0
84.38866	3.0
85.02941	9.2
87.00909	5.7
89.02437	44.5
93.03455	9.1
96.71790	3.1
97.05414	2.6
98.20599	4.2
99.00882	4.6
99.56647	3.1
100.73524	3.2
101.02445	21.5
111.04495	5.4
113.02438	17.7
118.96471	2.9
119.03486	11.6
129.01991	4.1
131.03496	4.3
142.99852	15.7
143.03433	4.5
151.40396	3.5
161.04636	4.8
173.00963	2.8
173.04570	22.1
179.05635	23.8
191.05612	5.3
210.35986	3.0
237.72234	3.2
249.28981	3.2
309.24905	3.6
341.10895	100.0
342.11325	3.6
515.16211	8.2
518.91052	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	515.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72327	0.4
56.83266	0.3
59.01381	0.6
60.99300	0.5
67.01881	1.5
69.03463	0.6
69.74924	2.1
71.01379	0.9
72.70904	0.4
83.05031	0.6
85.02946	4.7
87.00896	2.2
93.03455	12.5
96.96051	0.5
98.20558	0.5
100.73446	0.4
109.02982	0.5
111.04511	1.6
124.54289	0.4
127.03991	1.3
133.02942	1.0
135.04521	7.2
155.49200	0.4
161.02454	3.6
173.04532	4.1
179.03494	6.7
179.48708	0.4
185.38889	0.4
191.05600	100.0
192.05992	2.3
273.00391	0.4
323.07693	1.1
341.08832	0.8
353.08743	16.4
354.09219	0.4
456.72202	0.4
462.11261	0.4
475.21219	0.4
515.13989	19.0
516.14264	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.8
60.49244	1.0
60.99305	1.6
66.32417	1.0
67.01887	3.1
69.20385	10.0
71.01381	2.1
81.03410	1.3
85.02950	5.2
87.00874	5.6
89.02383	1.5
93.03458	20.3
101.02411	1.4
109.02943	1.7
111.04489	3.0
127.04005	1.5
133.02948	3.1
134.03807	2.4
135.04529	16.4
137.02444	1.2
149.06001	1.5
155.75758	1.0
161.02441	13.6
173.04488	6.8
177.05536	2.1
179.03491	13.5
191.05603	100.0
192.05975	2.2
193.05026	3.1
198.98120	1.0
221.04477	1.4
311.07626	1.8
323.07715	1.9
353.08853	8.8
378.70007	1.0
395.09903	3.4
397.11282	1.8
400.22119	1.0
442.81290	1.0
515.14001	66.7
516.14166	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	515.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28242	0.4
59.01381	2.4
62.38995	0.4
67.01887	0.7
69.39591	3.6
71.01375	1.5
78.61586	0.4
85.02949	8.9
87.00890	2.7
93.03467	5.0
109.02934	1.3
111.00861	0.8
111.04519	1.8
117.03479	1.5
120.54317	0.4
125.02455	0.6
127.04028	2.2
132.02179	1.8
133.02959	8.4
134.03709	0.5
135.02992	1.1
135.04530	3.8
145.63783	0.4
155.03685	0.5
160.01646	3.6
161.02437	53.5
162.02771	1.3
171.02916	0.7
171.22955	0.4
173.04485	2.1
179.03482	4.4
180.30641	0.5
186.22240	0.4
191.05605	100.0
192.05920	1.5
193.05022	1.3
224.39627	0.5
285.03937	0.5
323.07700	41.9
324.07971	2.3
341.08701	1.8
353.08771	3.4
426.21915	0.5
515.13989	37.3
516.14142	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	515.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.9
67.01889	0.9
69.28568	5.3
71.01385	2.1
83.05018	0.6
85.02953	9.4
87.00876	2.8
93.03472	5.1
98.20678	1.1
99.04515	1.1
101.46138	0.7
108.32391	0.7
109.02934	0.7
111.00943	0.6
111.04533	1.3
111.23707	0.6
111.89656	0.6
117.03449	1.6
125.02425	0.7
127.04037	2.7
132.02200	0.9
133.02962	6.3
135.04507	6.4
148.04968	0.6
160.01672	3.5
161.02446	48.0
162.02765	1.3
169.66862	0.6
171.03000	0.6
173.04550	1.5
179.03505	5.5
191.05611	100.0
192.05920	1.8
226.80991	0.7
261.81940	0.6
311.07889	0.8
323.07706	42.6
324.08017	1.7
337.07703	2.3
341.08755	2.1
353.08481	2.9
515.14026	30.5
516.14148	2.1
533.37335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12407	0.5
59.01390	1.2
61.98829	100.0
63.06916	0.5
68.20149	0.5
70.11626	0.5
70.81562	1.2
72.57729	0.5
74.52688	0.6
75.90156	0.5
80.42332	0.5
96.77998	0.5
111.66771	0.5
206.44318	0.6
399.22333	0.5
471.31195	0.9
514.29132	1.0
515.30145	6.0
534.35535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
59.20140	0.3
59.26963	0.3
61.98830	100.0
69.44677	0.6
69.45084	1.6
71.01360	0.4
80.89113	0.4
86.25277	0.3
98.20619	0.6
104.18716	0.3
119.32182	0.3
121.03259	0.3
143.49710	0.3
166.71109	0.3
185.50351	0.3
190.44843	0.3
195.65656	0.3
195.96736	0.3
199.14568	0.3
271.70358	0.3
316.85840	0.3
340.45413	0.3
453.30389	0.5
471.31097	0.6
514.28534	0.5
515.29407	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	514.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
61.98830	100.0
71.01367	1.3
71.53268	1.7
75.00854	1.0
75.52298	0.9
77.38251	1.0
80.91679	2.7
82.95428	3.2
91.61604	0.9
93.32507	0.9
107.01450	1.3
109.02953	6.1
123.04489	3.7
125.02424	2.7
133.02968	1.4
135.04509	1.8
139.04007	2.0
145.02914	1.3
147.04514	1.3
150.03241	1.0
151.00336	1.8
151.04021	1.8
152.00703	1.2
161.02473	4.6
169.01404	3.4
177.01917	7.4
189.01923	15.2
189.03473	1.7
190.02747	2.8
191.03474	4.3
203.03441	2.4
216.00594	1.5
217.01385	10.4
219.03070	4.6
231.02953	4.2
257.08130	1.0
300.99945	2.0
341.06641	30.3
342.06976	1.9
407.13538	1.5
451.10318	27.5
452.10483	2.5
514.16901	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	514.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
61.98831	100.0
64.68607	0.6
71.52442	0.9
73.02947	0.7
113.43081	0.6
124.72248	0.6
128.81895	0.7
137.09692	1.0
139.84068	0.6
145.02966	0.6
155.10791	0.7
216.99130	0.7
471.31042	1.1
514.27631	1.1
515.30273	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76796	0.1
53.61221	0.1
53.62340	0.1
53.87477	0.1
55.01867	0.4
57.01027	0.1
57.03444	0.2
58.00604	0.2
59.01377	6.4
64.17265	0.1
69.03433	0.2
71.01379	4.5
71.29377	0.3
72.99308	0.3
73.02939	0.8
79.69460	0.1
83.01397	0.5
85.02959	1.1
87.00868	0.6
89.02443	3.5
91.03991	0.2
95.01387	0.4
97.02959	0.2
99.00905	0.1
101.02435	3.9
103.04008	0.2
113.02443	2.2
115.03997	0.2
119.03497	0.9
125.02464	0.1
127.07677	0.2
131.34448	0.1
133.05046	0.4
143.03459	0.4
157.04980	0.1
161.04552	1.8
164.64656	0.1
165.95569	0.1
179.05602	0.4
201.37576	0.1
233.22711	0.4
234.23230	0.2
235.08159	1.1
253.09274	15.3
254.09685	0.5
259.20770	0.3
275.20184	0.2
277.21698	100.0
278.22049	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03249	1.2
59.01381	100.0
60.64449	1.1
68.46897	1.1
71.53561	1.6
76.11452	1.2
78.95892	3.5
97.71301	1.1
152.99579	1.2
191.05606	9.0
277.21725	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	513.3219
Annotation	(+)-Methyl ganolucidate A
Peak:m/z	Relative Intensity
59.01373	4.1
60.75444	0.5
70.53848	1.1
70.54214	0.9
71.05025	2.1
92.40296	0.5
116.62617	0.6
247.42184	0.6
271.23718	0.6
275.27744	0.6
275.95731	0.6
277.21512	0.6
377.28329	3.2
419.29739	4.7
435.28516	1.0
437.30563	9.2
438.30838	0.9
463.28668	1.1
477.30014	5.2
478.30179	0.7
481.29526	4.6
495.31186	15.4
496.31381	1.8
513.32178	100.0
514.32562	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	513.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66681	8.7
59.01368	83.9
61.98804	28.7
69.50069	20.1
69.50467	63.8
71.01392	21.4
71.04978	10.8
71.34129	9.9
85.02898	9.7
89.02440	19.7
98.20637	18.6
101.02445	21.9
113.02409	11.5
131.03508	22.2
134.68806	10.4
183.13910	18.4
188.28273	10.6
291.19754	49.9
325.72638	8.7
342.13882	9.9
348.75449	10.8
354.36377	9.6
451.28741	11.8
474.71686	10.9
513.27948	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	514.099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43061	1.6
56.37923	2.3
57.87442	1.6
59.01374	2.7
61.98828	100.0
62.02835	1.5
63.12951	1.6
65.70668	1.9
69.49516	9.7
71.01360	2.3
92.12365	1.7
96.95990	1.5
109.02948	13.9
123.04503	6.6
125.02452	4.8
133.02977	3.3
137.02434	3.5
139.00346	2.0
147.04477	1.9
150.90149	1.8
151.03969	4.2
161.02441	6.2
162.03156	2.5
163.03986	3.4
169.01375	6.2
173.02257	1.9
177.01949	19.0
185.02359	2.1
187.04044	2.6
189.01941	28.6
190.02725	11.0
191.03519	4.1
203.03543	2.6
216.00607	5.4
217.01387	19.3
219.02965	6.4
231.02963	5.3
261.00436	2.0
270.98761	2.8
281.04514	4.9
283.99634	4.1
297.07687	3.5
298.98239	2.5
299.05582	9.6
299.99039	12.6
300.99881	26.7
341.06638	71.6
342.06906	4.7
398.20685	6.0
451.10306	52.7
451.15540	1.3
452.10831	3.3
514.16620	2.5
515.00787	10.7
518.77545	1.7
535.99054	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	513.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05271	0.6
58.29491	0.7
59.01377	5.9
61.98830	4.0
62.41697	0.6
69.07351	0.7
69.76549	0.8
71.01381	1.8
73.38153	0.8
83.92945	0.7
85.02927	0.8
89.02446	1.8
89.14986	0.6
92.90807	0.7
101.02467	1.2
117.03469	23.3
119.05027	6.1
120.71991	0.8
120.77925	0.8
145.02951	100.0
146.03310	2.1
163.04012	8.7
166.00616	0.8
169.01370	0.8
340.18359	0.8
347.05722	0.7
353.42923	0.7
477.21280	85.0
478.21701	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83378	0.1
55.01878	0.3
57.03421	0.2
58.00596	0.2
59.01380	6.4
70.33573	0.4
71.01381	5.0
71.10113	0.1
72.99294	0.3
73.02949	1.0
78.57611	0.1
83.01395	0.5
83.05011	0.2
85.02957	1.0
87.00863	0.6
89.02443	4.2
91.04008	0.2
95.01379	0.4
97.02996	0.2
99.00879	0.4
101.02443	4.6
113.02449	2.3
119.03477	1.0
125.02477	0.2
127.07673	0.2
131.03491	0.1
133.05067	0.4
143.03453	0.2
161.04564	1.7
163.72382	0.1
165.35487	0.1
179.05676	0.7
181.86609	0.1
205.19826	0.1
233.22707	0.3
235.08177	0.8
253.09280	15.6
254.09619	0.4
259.20679	0.3
275.20102	0.4
277.21701	100.0
278.22046	5.3
473.77817	0.2
491.21509	0.1
513.35693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07500	1.4
57.03437	2.9
59.01379	56.1
61.98808	2.3
69.03444	1.5
69.93506	7.6
71.01381	36.6
72.99306	4.5
73.02947	3.3
75.00854	2.8
80.05042	3.8
83.01366	4.4
85.02948	10.7
85.06599	2.5
87.00874	9.6
89.02438	30.4
95.01376	4.0
98.20601	1.7
99.00891	5.7
101.02431	24.1
108.04558	3.4
111.00884	2.0
113.02446	17.7
113.99587	7.5
115.00377	4.7
119.03494	13.3
121.05359	8.0
122.06115	15.5
123.35394	1.5
124.79416	1.5
125.02419	3.0
129.01947	3.3
129.42256	1.6
134.03711	9.4
135.04526	2.8
136.04044	3.5
136.07693	3.9
138.05591	5.5
139.00354	1.6
140.07236	2.1
148.04031	4.7
149.04822	3.6
150.05583	6.0
157.01411	2.7
159.06828	2.8
163.03990	2.6
165.04283	5.5
166.05089	7.8
169.01472	2.5
172.07611	1.7
173.08386	4.0
174.01686	8.6
174.12820	3.1
175.03938	1.9
175.06331	2.8
177.03967	2.1
178.15364	1.4
179.03401	1.4
179.05582	1.8
184.11275	5.7
188.07158	5.6
189.07945	2.7
191.05573	2.1
193.05074	3.5
202.12395	12.5
204.06590	6.8
213.06819	2.0
216.06606	5.8
216.08873	2.8
217.07414	6.2
218.08087	3.6
227.08217	2.6
228.08653	1.9
228.10558	3.0
229.09785	12.9
231.09175	2.5
231.11374	33.2
238.07434	2.1
243.11366	3.0
246.11348	16.1
253.09848	4.5
270.10031	4.1
271.10876	42.7
277.05545	15.2
300.99817	2.9
328.10303	3.4
337.07742	40.0
346.11395	7.7
390.10272	2.7
397.13943	7.4
408.16553	3.2
426.17780	3.8
433.16327	4.2
440.78577	1.7
451.17181	47.0
452.17709	1.8
469.18326	8.4
470.16675	2.5
495.16183	11.0
513.11194	18.7
513.18176	100.0
514.18469	8.0
539.99603	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	513.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93429	1.5
58.00574	2.4
59.01380	52.6
71.01386	27.0
72.99284	2.0
73.02950	3.6
75.00880	1.6
80.05053	2.1
83.01376	3.4
85.02938	10.7
87.00874	8.7
89.02443	25.2
95.01379	5.4
99.00861	4.5
101.02459	18.6
102.15022	1.6
108.04539	2.0
113.02449	14.4
113.99564	5.3
115.00316	3.5
119.03501	11.6
121.05325	5.4
122.06120	14.1
129.84535	1.8
134.03702	6.3
136.03999	1.6
136.07698	3.8
138.05597	7.4
139.37885	1.7
140.07130	1.9
148.04073	2.4
149.04756	2.5
150.05591	6.8
157.15089	1.7
158.06049	2.8
161.04588	1.7
165.04289	5.9
166.05119	8.0
169.01369	2.3
172.07625	1.8
173.08502	1.7
174.01642	5.6
174.05595	2.0
174.12851	2.5
179.05608	1.8
180.98083	1.6
184.11296	4.1
188.07187	4.9
193.05066	4.2
195.37625	1.6
202.12401	9.8
203.09480	2.1
204.06689	10.0
204.10283	3.3
213.06543	1.9
216.06590	4.9
216.08818	2.2
217.07368	5.4
218.08176	2.2
227.08186	2.4
228.10521	3.1
229.09804	10.6
231.08997	4.0
231.11325	30.1
241.09654	1.8
243.11276	2.5
246.11343	14.5
249.95277	2.0
253.09770	4.1
270.10077	2.8
271.10870	40.1
272.11533	2.0
277.05576	14.0
301.00006	1.8
328.10211	2.0
337.07751	27.3
346.11383	4.8
397.13669	6.1
404.69452	1.8
408.16547	3.3
426.17703	2.8
433.15714	3.9
451.17227	39.7
452.16470	1.9
469.18243	5.3
495.16022	11.4
513.17828	100.0
514.18073	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	513.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12618	0.5
59.01381	6.1
60.66689	0.5
61.98825	3.5
68.36008	0.5
69.03452	0.6
69.60947	0.6
71.01381	7.3
71.53224	0.7
73.02939	1.6
75.81065	0.5
83.01391	1.6
85.02953	2.0
85.06583	23.7
88.97068	0.5
89.02450	1.4
93.03478	0.6
95.01375	0.9
95.05033	0.6
97.02930	0.5
99.00867	0.6
101.02412	2.8
103.30581	0.5
105.03470	0.9
107.04996	1.2
109.02983	2.8
111.66412	0.5
113.02438	2.4
113.06084	4.5
115.04015	4.2
117.03452	1.6
121.03020	0.5
123.00873	2.4
123.04552	0.6
124.01685	3.0
125.02437	8.1
127.51617	0.5
129.05565	0.8
132.02168	1.0
133.01930	1.3
133.02945	28.3
134.03769	2.7
135.04521	58.3
136.04846	1.9
137.02432	2.0
141.01894	0.8
147.04559	0.7
148.05296	1.0
149.06061	4.7
149.99625	3.2
151.00328	1.4
155.10854	0.7
155.12778	0.6
157.05037	0.8
159.04529	1.0
160.01662	1.1
161.02431	100.0
162.02802	3.1
168.00630	7.5
169.01395	4.1
175.03984	1.7
177.01950	0.9
177.05559	11.6
178.02713	0.7
179.03494	52.8
180.03839	1.9
189.05446	0.5
189.07823	0.9
199.13232	0.6
203.03546	2.9
221.04530	18.6
222.04836	0.6
233.04497	1.7
235.06039	0.9
251.05586	15.8
257.84290	0.5
263.05627	1.0
280.05829	1.1
281.06635	19.7
281.09695	1.1
305.06607	1.4
323.07690	90.9
324.08054	3.9
341.08719	12.5
383.09814	8.9
425.12732	1.5
495.14972	0.9
513.15112	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	511.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53146	14.6
56.13428	14.1
56.52239	13.8
59.01366	25.6
61.98808	24.2
64.34588	18.2
70.53865	50.9
72.13418	14.3
84.19523	17.8
98.20567	16.8
101.02439	19.4
108.04543	15.7
125.02419	25.4
126.16381	17.2
169.01427	35.0
185.60667	16.3
196.99434	16.5
303.59158	18.2
511.20715	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	511.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	21.9
70.28821	56.5
94.57307	14.5
108.75618	15.0
154.47240	17.9
165.43573	15.8
203.67490	15.3
247.72234	15.5
340.30716	16.8
511.31943	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	512.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.2
61.56470	0.4
61.98828	100.0
65.00304	0.5
70.81712	1.0
71.01375	0.6
73.02956	0.4
81.03465	0.4
83.01392	0.6
83.05019	0.9
88.20446	0.4
96.55653	0.3
107.01405	1.5
109.02948	0.5
111.00904	0.5
125.02465	1.3
135.04503	7.1
135.05374	0.6
151.00371	13.1
156.00612	0.5
160.04028	2.8
161.02339	0.7
165.01990	0.4
166.92053	0.4
168.38487	0.4
168.67949	0.4
169.01385	1.1
191.05621	0.7
225.16055	0.8
287.05594	23.7
288.06024	0.9
336.91992	0.5
366.08243	1.1
449.10901	1.8
451.32809	5.1
452.33182	3.8
513.20569	2.0
536.08374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
61.98831	2.2
64.30683	0.3
71.01414	0.6
71.53052	0.4
71.53408	0.5
93.03471	0.6
93.35176	0.4
113.06108	0.4
116.05059	3.5
117.03458	0.8
119.05015	0.9
125.02447	1.0
132.04489	0.4
145.02954	5.1
159.03249	0.9
160.04034	100.0
161.04425	3.1
173.14473	0.4
179.07100	0.8
180.07483	0.4
181.07765	0.4
204.02995	5.3
212.03551	0.6
264.06592	4.4
282.88400	0.4
306.07816	1.8
307.08246	2.0
366.08240	23.4
367.08511	1.2
449.09796	1.7
493.56592	0.4
512.11890	8.5
512.18610	0.6
513.12366	0.6
513.23309	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	513.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63604	0.9
54.19994	0.9
68.78204	0.9
68.99799	3.0
69.03432	1.5
69.45435	5.5
71.01376	2.7
72.99335	1.2
73.02969	1.4
75.00862	1.4
77.87286	0.9
83.01364	1.8
85.02952	6.9
87.00865	4.2
98.90275	0.9
99.00897	6.1
101.02428	1.5
102.61812	1.0
106.78775	1.0
111.00901	2.0
113.02461	7.0
113.99584	17.5
115.00392	7.2
125.46593	0.9
127.00368	3.2
129.01924	2.4
134.03728	16.9
157.01430	5.3
169.01387	2.6
174.00224	1.6
174.01680	19.3
175.02411	2.9
175.03883	1.1
193.05040	9.0
277.05627	34.8
278.05984	1.0
337.07736	83.4
338.08044	3.4
342.34753	0.9
453.10355	5.0
513.12433	100.0
514.12842	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	511.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07381	1.5
55.01879	4.0
55.24643	1.5
57.03443	4.1
59.01379	59.3
59.16009	1.5
61.98812	1.5
71.01386	37.6
72.60080	1.6
73.02939	17.0
83.01388	13.2
85.02953	20.1
87.00887	3.5
87.95751	1.6
89.02457	4.3
90.36101	1.9
95.01389	2.8
95.12891	1.9
98.19878	3.7
99.00898	4.4
101.02443	43.4
113.02435	15.2
124.05913	1.8
125.02431	2.5
129.01955	2.6
130.64861	1.8
161.04584	12.2
163.06114	2.0
165.30319	1.6
176.99942	1.9
209.11971	2.0
227.12811	2.3
305.19681	83.9
306.19989	2.8
323.85764	1.9
335.93945	1.7
351.13992	1.6
451.25446	100.0
452.25699	5.8
511.18427	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	511.283
Annotation	Xanthobaccin B
Peak:m/z	Relative Intensity
59.01384	16.5
61.98817	10.7
69.42077	10.7
69.42493	27.7
71.05013	8.5
98.19901	10.4
107.04670	4.8
214.11182	5.0
411.89136	5.2
475.30701	8.2
493.33307	7.5
511.27902	100.0
511.34464	22.2
512.28723	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	511.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81248	8.1
59.01368	33.6
60.95284	8.8
64.66635	8.6
83.60521	8.4
98.39823	8.5
129.47589	8.6
165.12860	15.2
167.39804	8.3
183.13878	100.0
213.89267	8.8
301.16534	13.3
349.49237	9.7
365.10678	8.9
511.29407	37.8
524.82532	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	511.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.05805	26.1
61.98819	62.8
71.52381	51.2
71.52748	38.4
74.63803	33.1
92.45798	31.8
93.67956	30.0
106.89175	26.5
109.19958	29.4
121.84606	36.9
165.12816	33.5
183.13878	64.7
511.28619	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	47.1
61.98823	29.9
83.44741	22.1
91.31633	29.1
98.19904	100.0
124.49654	23.5
130.39671	24.2
210.45844	22.7
215.59663	24.1
216.20836	24.0
229.58607	30.4
511.15659	72.8
511.36270	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
58.00593	0.8
59.01373	5.9
61.98817	5.3
69.03462	2.1
71.01382	7.8
73.02946	3.8
75.98501	0.6
78.99521	0.7
83.01413	2.1
83.05042	1.3
83.63094	0.8
85.02948	3.6
87.62582	0.7
93.03430	1.2
95.01398	2.7
97.06600	1.6
101.02445	3.4
111.00843	1.4
111.08167	6.4
113.02451	2.5
117.41265	0.7
121.02914	1.1
123.00889	24.2
123.04539	2.0
124.01665	100.0
125.02523	6.5
137.02444	2.7
138.03221	11.1
139.04016	61.5
140.04382	1.0
145.02931	3.5
147.63342	0.8
149.02515	1.0
150.03308	0.9
151.03978	0.9
153.01926	1.7
153.05608	2.1
161.02451	3.8
161.04570	5.3
165.12842	53.2
166.13223	1.2
167.03505	2.4
179.03452	0.7
181.05049	1.1
181.12318	1.9
183.13896	34.2
184.14186	1.4
193.05025	1.1
197.15407	0.7
205.16116	0.7
207.13924	1.7
209.11821	6.0
219.13809	0.8
221.15427	1.6
223.13361	0.9
227.12872	14.7
228.13312	1.3
231.13986	1.1
233.11807	2.1
249.14952	1.6
251.01094	0.7
251.12875	4.6
265.14548	2.7
275.12888	1.8
293.13931	12.4
301.09207	6.5
371.17108	2.2
454.45480	0.7
475.19757	4.5
475.29993	0.9
479.19345	1.0
493.20444	1.2
511.21823	70.0
512.22119	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	511.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36962	0.5
55.39436	0.6
55.46414	0.7
57.06634	0.6
59.01373	3.6
61.98829	12.2
67.66547	0.6
69.03448	1.0
69.74493	1.9
69.74909	1.9
71.01386	3.7
73.02969	1.7
81.03458	0.9
83.01393	1.0
83.05019	0.7
85.02944	2.7
88.84745	0.6
93.03458	1.5
95.01393	3.2
97.02950	0.8
101.02435	2.5
108.02171	76.5
109.02959	25.0
110.03280	0.8
111.08130	1.1
113.02428	1.7
121.02940	1.9
123.00889	29.0
123.04480	1.2
124.01665	31.8
125.02479	3.0
133.02943	1.5
135.04552	0.9
137.02451	1.5
138.03226	8.6
139.04019	22.8
151.03986	1.8
152.01147	49.3
153.01945	13.6
161.02408	1.0
161.04483	1.5
163.04005	1.9
165.01923	0.6
165.12837	10.8
166.02730	0.9
181.05093	1.0
183.13887	11.3
183.15417	1.1
195.13931	1.0
207.13725	0.9
209.11809	1.3
213.14977	4.3
217.06566	3.7
221.15424	1.2
222.93390	0.7
227.12859	5.6
231.13957	0.6
233.11806	1.5
238.34718	0.6
251.12915	2.3
265.14438	1.4
275.12729	0.8
293.13916	8.2
301.09247	5.0
315.70810	0.8
371.17075	1.1
482.68512	0.7
492.44891	0.6
499.89893	0.6
511.21823	100.0
512.22253	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	511.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.4
59.01378	5.9
61.98831	6.1
63.09825	0.5
69.03459	0.9
69.32972	0.6
70.66122	0.7
71.01384	3.8
71.05032	0.7
73.02946	2.5
74.00685	0.7
80.19083	0.7
81.03443	0.7
83.01395	0.7
83.05042	1.1
85.02946	1.6
95.05051	0.8
97.02954	0.9
97.06582	0.9
98.20660	1.8
101.02434	2.5
111.00810	0.7
111.08153	2.6
113.02453	1.4
124.01660	47.5
125.02413	1.9
137.02460	6.2
138.02794	1.3
139.04013	100.0
140.04337	3.0
147.59500	0.7
150.57161	0.6
161.04556	2.6
165.12836	19.2
169.01360	0.7
171.10243	1.1
175.04094	0.6
183.13893	13.4
189.12897	0.8
195.13985	0.8
197.15492	0.8
203.14394	1.3
207.13820	1.3
209.11818	7.1
221.15489	2.0
223.13364	1.1
225.14920	0.8
227.12897	11.0
228.13130	0.8
231.13881	0.9
233.11850	1.5
249.15033	1.8
251.12862	4.9
263.12796	0.8
265.14542	3.1
269.13956	1.1
275.12885	2.3
291.99228	0.7
293.13971	13.8
294.14072	1.1
301.09229	4.7
311.15076	1.9
343.24942	1.0
371.17050	3.9
381.28027	0.7
404.63907	0.6
509.96228	0.7
511.21774	44.5
511.33420	2.5
512.22083	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	510.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
112.37560	0.2
133.36401	0.2
168.18376	0.2
206.76889	0.2
226.26225	0.2
391.51923	0.2
417.06033	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.13080	0.4
69.33668	2.3
71.77489	0.4
86.99007	0.3
95.25343	0.3
101.93356	0.4
148.97433	0.4
182.15764	0.4
210.93628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.9
57.94362	3.9
59.01363	12.6
59.25303	4.2
61.98828	6.2
71.01376	9.9
75.00870	5.9
89.02433	5.4
93.03474	4.8
95.01360	10.3
111.00907	7.9
117.03451	15.2
119.05055	7.6
121.02963	11.2
123.00867	9.4
125.02467	13.1
132.02066	4.4
133.02954	20.3
135.04471	6.0
137.02385	5.9
145.02956	45.0
147.00890	5.4
147.04495	11.0
149.02467	13.5
151.00352	7.6
157.02934	12.6
159.00761	5.1
159.04510	8.5
161.02448	52.8
162.03157	7.8
163.04005	23.1
165.01942	5.7
169.01395	40.5
171.00810	9.4
172.01648	5.8
173.02414	40.5
174.40239	4.6
175.03978	16.3
177.01884	14.3
178.99870	23.4
179.03488	10.2
185.02382	9.2
187.00305	9.3
187.04062	5.0
188.01154	7.1
189.01901	53.7
190.02682	39.1
191.03587	29.2
193.01338	5.0
199.00351	17.0
200.01163	7.1
201.01942	46.4
203.03447	33.0
205.01387	4.8
209.04442	10.4
213.01964	5.2
214.99838	10.2
215.03572	7.1
216.00549	9.6
217.01413	80.7
218.02086	9.2
219.02991	12.1
221.00838	27.5
226.99818	23.8
228.00436	6.1
229.01361	44.6
231.02948	14.1
233.00966	10.0
239.05617	8.1
242.99257	16.6
243.99982	13.0
245.00905	61.1
246.01602	13.7
247.02426	42.0
249.03989	6.0
253.26860	4.5
254.99356	24.0
257.00882	9.7
259.02316	7.8
259.99570	9.1
261.00427	25.2
261.03940	13.1
263.01764	7.6
269.57220	4.4
270.98816	50.2
271.99493	11.0
273.00372	100.0
274.00967	6.6
275.01898	6.8
277.03442	7.9
287.01935	18.9
291.01523	9.3
298.98309	80.3
299.99063	33.0
300.99878	52.2
301.03122	9.1
305.02960	40.1
316.99338	15.0
331.01010	23.1
349.01895	37.7
391.02921	39.6
407.06198	10.6
417.04596	6.6
423.05902	10.3
435.05743	16.3
451.05145	55.2
452.05579	6.8
461.03677	6.9
479.04626	96.7
480.04828	8.2
493.06277	48.7
511.07019	75.7
511.13800	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	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18143	3.4
59.01380	25.8
61.98829	100.0
66.18731	4.3
71.01373	5.5
71.37576	3.4
71.53307	6.3
85.02960	5.0
87.00941	3.7
89.02420	6.7
92.84741	3.5
98.42647	4.1
101.02468	6.5
103.03966	5.2
109.02930	4.2
110.12700	3.4
117.45110	3.5
118.98327	3.2
120.99643	9.4
125.02433	9.8
134.03772	31.3
135.04263	4.3
146.03731	36.6
147.04300	14.0
147.41316	3.8
148.04855	10.6
149.06096	29.3
150.06406	11.0
154.17676	3.3
161.02467	9.4
161.06065	16.1
162.06474	5.3
163.06172	12.4
164.04797	27.6
164.06168	4.4
165.05144	9.3
167.07138	27.7
168.07462	10.5
169.01381	6.9
179.07124	77.1
180.07458	29.7
183.53349	3.6
197.27303	3.8
227.03516	32.3
255.02980	39.2
256.03485	5.6
276.68982	3.5
281.17017	4.0
284.03271	44.3
285.03983	18.8
313.12918	23.6
314.13220	17.7
367.13861	9.5
368.14105	10.2
391.26669	7.2
447.09232	90.0
448.09766	5.3
461.17999	5.6
462.18427	10.8
474.18344	8.0
492.19351	5.9
510.11887	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	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41377	2.6
61.98828	19.0
67.53020	2.4
68.80331	2.2
70.43688	2.3
72.92431	2.3
98.20691	5.5
103.33298	2.7
107.01382	4.3
109.02916	3.2
115.94285	2.5
151.00349	14.2
163.00378	4.4
164.93292	2.5
178.99841	6.9
190.16151	2.4
209.78856	2.5
216.04295	2.9
229.25113	3.0
243.02893	7.8
245.04404	3.4
255.02982	25.5
271.02472	47.4
271.05246	2.5
272.03012	3.4
297.90469	2.4
300.02734	64.6
301.03516	45.2
302.03537	3.5
447.09296	100.0
448.09702	4.1
512.13995	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	510.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
64.55538	0.5
64.78309	0.4
64.94594	0.3
66.95021	0.4
71.22989	0.3
78.44237	0.4
86.21562	0.4
99.00519	0.4
105.66050	0.3
117.03440	0.5
133.02908	1.7
135.04539	1.1
145.02991	1.4
161.02437	5.8
163.04062	0.4
229.40067	0.4
237.39403	0.4
271.32751	0.4
447.09573	0.6
510.07758	0.5
511.22003	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	509.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	39.6
61.98830	20.7
69.25890	4.1
69.40439	34.9
71.05027	6.7
95.03529	4.3
95.05041	5.2
101.27942	4.1
115.07384	5.6
196.62444	4.3
226.50183	4.9
284.32907	4.4
323.22131	6.3
329.86176	4.8
437.53833	5.0
447.08859	6.2
473.32861	7.1
491.33621	9.6
504.77850	5.3
509.35364	100.0
510.34604	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	509.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	14.0
62.92469	10.6
69.25734	100.0
72.51512	10.0
86.03482	10.0
89.61309	10.2
96.96037	12.5
98.19873	24.5
251.12901	11.4
313.48947	11.3
509.30478	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
57.80339	0.5
58.00594	0.8
59.01380	7.8
61.92567	0.4
61.98834	3.8
63.27454	0.5
69.03449	0.8
71.01375	2.6
71.05014	6.0
71.52966	0.5
72.99290	0.5
73.02943	1.6
75.00903	0.5
83.05028	1.3
85.02940	2.7
85.27779	0.5
86.57715	0.6
89.02438	0.8
95.05077	0.5
97.06594	0.9
100.01354	0.5
101.02428	1.3
108.02184	0.6
109.02983	0.9
109.06586	2.8
110.37186	0.5
111.04580	0.6
112.09181	0.5
113.02479	1.0
117.29333	0.5
125.02469	0.5
133.02956	1.5
135.02959	0.6
135.04492	0.9
135.08192	0.6
136.01662	1.4
137.02443	100.0
137.09706	0.9
138.02766	2.0
141.34250	0.5
143.07129	0.7
145.02844	0.6
145.93285	0.6
153.09186	0.7
155.07123	0.9
161.02435	1.6
169.63783	0.6
183.13882	1.4
203.14503	0.5
209.11794	0.8
214.65088	0.5
227.12914	0.7
259.17020	2.1
275.20163	1.9
277.18091	24.4
278.18457	1.6
281.21292	0.7
291.19733	0.7
293.21228	23.4
294.21432	1.1
298.98428	0.9
299.07706	6.1
311.22281	1.7
321.16953	1.0
323.22519	0.6
329.17618	2.0
375.25385	2.8
412.13824	1.2
447.31232	1.1
465.32260	1.0
492.16678	0.5
509.19925	7.5
509.31393	46.3
510.20761	0.7
510.31287	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	509.2025
Annotation	3-[4-[1-(4-Hydroxy-3-methoxyphenyl)-1,3-dihydroxyisopropoxy]-2-hydroxyphenyl]propyl alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
57.05933	0.6
59.01378	20.5
61.98824	4.8
69.63531	1.2
69.63943	2.8
70.38873	0.8
71.01374	5.6
73.02933	3.2
85.02946	3.9
87.00867	2.0
89.02438	6.4
98.20618	1.4
101.02446	4.5
103.04002	7.5
105.03435	0.8
108.02166	2.9
109.02982	0.7
114.44703	0.7
117.55160	0.6
119.03504	3.5
121.02914	1.5
122.03740	4.7
123.04530	1.4
125.02478	0.8
127.89849	0.7
133.02986	0.8
134.03737	34.4
135.04533	4.8
141.35071	0.7
145.02943	1.6
145.05066	2.5
146.03731	44.7
147.04526	18.7
148.05096	0.8
149.06079	36.0
150.03201	2.5
150.06453	1.5
155.10838	1.1
161.02417	1.8
161.06073	18.9
162.03181	1.7
163.03969	1.0
163.06122	15.0
164.04781	27.9
165.05545	2.4
167.07129	32.0
170.13635	0.7
177.05524	1.5
179.07126	100.0
180.07437	3.9
193.08676	2.3
195.06631	2.9
227.03494	1.5
255.02887	1.9
265.30585	0.8
284.03342	2.6
301.09058	0.8
311.11359	2.0
312.12146	2.0
313.12906	42.5
314.13336	2.9
337.25854	0.7
339.14362	1.2
367.13907	20.2
368.14285	0.9
443.31705	2.1
447.09329	5.6
461.18134	13.7
473.18137	11.9
474.18381	0.9
491.19208	5.4
509.11823	2.0
509.20245	5.6
509.34821	1.1
537.81549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66430	0.6
53.79439	0.6
57.03437	0.9
58.00574	0.6
58.71289	0.6
59.01379	11.7
61.98587	0.6
61.98829	7.7
71.01378	7.6
72.99294	2.5
73.02942	3.7
83.01405	1.4
83.05024	1.3
85.02941	3.7
87.00889	1.2
87.04507	1.8
87.43794	0.6
89.02457	3.2
93.03458	91.8
94.03794	2.2
95.01405	0.6
97.06608	1.1
101.02438	5.8
102.02773	0.8
102.07332	0.7
103.03979	0.6
109.02893	0.8
111.08192	1.1
113.02451	2.5
119.03501	1.0
121.02971	0.8
133.02974	1.3
135.04498	1.0
137.02444	100.0
138.02797	1.3
139.07591	0.8
145.02939	1.2
149.65459	0.7
161.02437	4.0
161.04486	0.8
163.06166	1.6
165.12836	8.3
169.01437	0.7
175.03911	0.9
181.12222	1.0
183.13901	13.0
189.12886	0.9
191.10736	0.9
197.15405	0.9
205.07198	1.0
207.13908	1.6
209.11880	0.9
219.13832	0.8
221.15414	2.1
227.12869	14.2
231.13930	1.8
233.11850	2.5
249.15002	2.1
251.12854	5.4
263.12787	0.9
265.14502	4.4
269.14075	1.6
275.12891	3.6
293.13950	22.8
294.14297	1.4
299.07666	1.8
311.14972	1.5
341.23215	1.0
371.17130	9.6
449.23840	2.3
508.35815	4.0
509.19745	7.6
509.29712	1.0
509.35660	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	509.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16633	1.2
59.01377	10.7
60.55064	1.2
69.50454	9.9
71.01377	4.4
72.78348	1.2
75.00859	5.1
92.67066	1.4
93.03471	2.2
120.99719	1.4
121.02943	11.0
122.03746	8.6
123.04488	6.1
133.02933	5.7
134.03725	2.0
135.03030	6.4
135.04514	8.6
136.05298	24.6
137.06058	2.4
139.11334	1.6
149.02451	22.0
149.06046	4.3
150.03218	87.6
151.04024	19.3
151.07628	3.3
161.02440	1.4
163.04008	2.8
164.04764	6.2
165.05560	58.6
166.05826	1.9
180.04239	3.7
180.69232	1.2
181.05035	17.6
182.47942	1.3
194.05792	1.6
195.06618	68.7
196.06999	2.8
237.00058	1.5
243.12236	3.4
273.13696	1.3
283.09781	9.7
284.10342	3.1
299.08749	1.4
300.09799	1.5
311.09149	10.7
316.09271	1.8
343.11844	100.0
344.12009	7.7
361.15228	1.5
373.13040	2.3
391.13940	90.9
392.14441	6.4
433.17490	1.4
509.16754	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	509.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93851	0.1
59.01360	0.5
65.03959	0.5
71.01390	0.2
73.02948	0.3
82.02180	0.2
93.03458	56.9
94.03786	1.1
98.19749	0.3
100.48747	0.2
101.21852	0.2
113.59469	0.2
118.90504	0.2
125.02403	0.4
137.02444	100.0
138.02776	2.2
158.12857	0.2
165.12839	0.4
168.97638	0.2
169.01401	0.5
183.13896	1.3
186.43639	0.2
213.15935	0.2
215.38446	0.2
221.15596	0.3
227.12866	0.8
251.12912	0.4
265.14484	0.3
293.14032	2.1
311.22226	0.2
318.29144	0.2
371.16974	1.1
482.00543	0.2
509.20410	1.1
509.32297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2022
Annotation	3-[4-[1-(4-Hydroxy-3-methoxyphenyl)-1,3-dihydroxyisopropoxy]-2-hydroxyphenyl]propyl alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
51.24281	0.2
55.01888	0.3
59.01379	7.3
60.16378	0.2
61.98819	0.4
65.00323	0.4
66.06693	0.2
67.01881	1.0
68.99803	0.3
69.03454	1.3
70.33504	0.2
71.01379	2.9
72.99313	0.7
73.02947	0.8
75.00870	0.6
79.01882	0.9
80.29956	0.2
81.03479	0.4
82.00603	0.2
83.01381	0.9
85.02944	1.4
87.00887	0.3
89.02453	0.4
95.01392	1.5
97.02956	1.7
99.00883	0.9
101.02460	0.9
103.88799	0.2
107.01385	7.8
111.00878	2.6
113.02450	0.6
121.03017	0.2
123.00881	10.6
124.01691	1.5
125.02442	50.1
126.02776	0.8
127.00402	1.0
127.37833	0.2
129.01942	0.6
136.98810	1.7
137.02429	0.4
139.00380	4.5
139.03987	0.2
140.01137	4.0
141.01924	1.6
149.02411	0.2
151.00362	6.3
151.01581	0.3
151.03920	0.2
152.00696	0.2
152.71286	0.2
153.01880	0.4
154.99918	0.3
159.02983	0.4
163.03896	0.3
165.01915	0.5
165.12831	0.3
168.00659	2.9
169.01414	72.4
170.01746	1.5
183.13921	0.7
207.03049	0.3
209.00797	0.4
211.02533	0.5
216.52318	0.2
219.05186	0.3
227.12917	0.3
230.28027	0.3
241.35847	0.2
299.11249	0.5
311.04037	1.9
353.60352	0.2
371.06146	8.6
372.06268	0.4
386.39221	0.2
457.99146	0.2
509.20212	100.0
510.20560	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	507.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.2
56.77873	0.3
57.03442	3.9
58.00589	0.9
59.01380	18.1
61.98827	1.1
69.03452	0.7
69.22997	0.4
69.23399	2.4
71.01381	30.9
71.05045	0.3
71.95729	0.3
72.99302	1.6
73.02945	12.7
74.11940	0.2
74.68977	0.3
75.00866	1.2
78.95853	0.3
80.49997	0.3
83.01382	7.0
85.02951	19.4
86.00071	0.8
86.03264	0.4
87.00884	2.5
89.02445	2.5
92.50332	0.3
93.03457	0.9
95.01385	3.4
97.02956	1.1
98.19927	0.5
99.00879	5.2
101.02441	28.5
102.02789	0.4
111.00887	4.3
113.02450	12.2
119.03514	0.6
119.05011	0.3
119.71539	0.3
125.02435	0.9
129.01949	1.4
133.02914	0.7
134.03770	0.6
135.03004	1.0
137.02420	1.5
141.01949	0.4
141.12819	0.4
143.03528	1.0
145.02902	0.8
155.10751	0.4
159.02991	3.5
160.01643	1.6
161.02538	1.6
161.04549	9.0
163.04034	0.6
169.01384	0.4
171.13899	0.9
175.03989	1.1
179.03490	0.5
199.09712	0.4
203.07149	0.6
214.66714	0.3
230.09521	0.4
247.09724	0.4
248.10582	0.3
279.23233	0.4
297.24377	0.5
299.25943	2.6
325.27310	0.4
345.30072	9.7
346.30408	0.6
359.27966	1.7
387.15805	0.3
489.32657	0.4
507.35385	100.0
508.35699	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	508.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.5
61.98829	100.0
71.01369	3.7
72.32922	0.8
73.02941	1.3
75.00883	1.5
76.96339	0.8
85.02977	0.8
87.00855	0.8
89.02449	2.3
93.03451	10.8
94.06033	0.9
101.02415	2.3
111.08073	0.9
117.03445	1.6
133.03009	1.1
135.02988	1.6
135.04536	8.0
136.04782	2.0
137.02440	36.6
138.02730	1.0
145.02939	3.9
145.53499	0.7
160.01561	0.9
161.02415	2.6
163.03931	1.8
165.12820	1.9
166.13188	0.9
179.03539	5.7
180.03839	3.5
183.13895	5.0
184.14230	2.0
189.05792	1.0
211.62376	0.9
213.15002	0.9
227.12869	3.6
228.13116	1.4
246.89575	1.0
267.88193	1.0
299.08246	0.9
325.38354	0.9
389.25238	1.0
390.25684	1.2
445.11310	2.0
492.71860	1.0
495.10635	1.0
508.21402	3.2
509.23914	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	509.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93395	1.6
59.01382	11.0
64.51392	1.6
69.85285	8.8
71.01382	1.8
75.00866	4.9
93.03466	3.0
111.75177	1.5
121.02962	6.5
122.03746	14.0
123.04498	9.2
129.38971	1.5
133.02957	4.4
134.03690	2.0
135.02985	6.0
135.04506	5.6
135.32942	1.5
136.05348	12.0
137.06104	2.5
139.11258	3.1
149.02440	19.3
150.03226	100.0
151.04025	25.3
151.07567	2.0
164.04781	3.8
165.05565	97.6
166.05946	4.2
169.01436	2.0
175.73410	1.6
180.04250	8.0
181.05042	23.8
181.12355	2.1
183.10278	3.7
183.71490	1.4
195.06622	90.5
196.02794	1.6
196.06972	2.8
243.12357	4.9
283.09686	2.0
311.09253	7.1
343.11771	27.0
373.12643	2.1
391.13968	75.4
392.14395	5.0
439.55292	1.7
509.16711	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	507.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20073	2.9
56.39897	3.1
59.01384	8.7
60.08911	2.6
63.84721	2.4
65.82957	2.8
71.37214	5.1
78.95898	5.6
89.84698	3.1
95.05103	2.6
118.91580	2.8
152.99573	8.6
227.03136	3.3
245.04459	4.2
271.90869	3.6
279.23294	100.0
280.23590	8.2
374.28250	3.4
446.61337	3.3
471.34802	5.6
507.26938	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	507.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50466	5.5
57.29612	5.5
59.01369	8.9
78.95904	35.2
98.20673	17.0
108.07827	7.0
111.20261	5.5
118.76817	4.9
152.99594	46.2
154.99976	6.6
192.22066	6.8
205.21834	6.2
220.41692	5.2
224.88402	5.2
227.03326	8.3
229.24170	6.5
275.72421	6.0
277.21820	42.8
278.22113	46.1
279.22354	66.0
314.26947	5.8
412.08994	6.6
425.14844	6.2
471.34763	16.0
489.87439	6.8
507.26157	100.0
507.33182	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	507.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53842	3.1
58.88272	3.4
59.01374	14.8
61.37907	3.1
61.98834	5.7
62.29281	3.0
69.22904	34.4
70.89205	3.1
76.30873	3.4
78.95905	35.8
80.96352	5.7
82.35222	3.1
96.95975	4.3
121.53658	4.0
141.52330	4.4
142.14433	3.5
152.99556	36.6
153.99913	7.6
154.99971	12.3
171.00620	4.3
174.12332	2.9
193.80930	3.7
202.72249	3.2
227.03305	5.8
277.21707	81.5
278.22000	65.1
279.22330	100.0
392.40417	3.9
410.90619	4.2
471.34595	15.6
484.01404	4.3
507.26471	86.1
507.33313	21.7
508.26376	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	507.3327
Annotation	Contignasterol
Peak:m/z	Relative Intensity
57.03433	0.9
58.95051	0.7
59.01379	100.0
61.98814	1.7
71.01369	1.1
71.05022	2.4
71.53027	1.5
72.37444	0.8
83.05024	1.5
85.02950	0.8
125.02461	1.3
128.56270	0.8
135.03072	0.9
137.06168	0.9
155.02113	0.9
159.41618	0.8
186.86931	0.8
222.31633	0.8
253.77686	0.8
277.18060	0.9
291.19473	0.8
301.21835	0.8
361.23840	1.0
363.25513	1.0
447.31317	2.1
489.32544	4.6
507.33905	31.2
508.33276	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	507.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.0
58.00602	1.3
59.01378	3.0
61.98832	1.5
71.01370	2.3
71.05025	1.0
71.53487	0.6
73.02932	2.2
75.00872	4.3
81.03447	0.5
83.01392	1.8
83.05035	0.6
85.02905	0.6
87.04518	2.8
89.02451	1.2
89.93574	0.4
93.03459	0.8
94.23495	0.6
97.06589	1.7
99.08109	0.5
101.02439	0.9
107.01393	1.3
109.06591	0.8
113.02464	0.9
113.06100	1.0
117.01937	0.7
117.03445	1.2
119.05014	5.4
121.02905	0.8
123.08137	1.0
125.02443	7.5
125.09715	11.5
127.11286	1.9
133.02951	0.7
134.03709	1.0
135.02982	3.7
135.04533	1.2
137.02438	1.5
137.09692	0.6
139.04044	0.6
139.07661	0.8
141.09210	0.8
143.10745	0.8
145.02945	4.3
151.00356	4.2
153.09148	1.1
155.10776	2.2
157.08649	2.3
160.01662	2.2
161.02432	1.9
163.03972	5.2
165.12869	1.0
168.00694	0.9
169.01416	16.5
171.10268	5.7
175.03944	2.3
178.02660	0.6
179.03450	0.6
183.10313	0.6
183.13866	2.8
193.05025	0.8
199.09659	1.2
201.11310	100.0
202.11665	4.0
215.07198	0.6
227.12875	3.1
255.14040	0.5
300.02832	0.5
301.03510	0.8
302.03461	0.8
303.03979	1.0
307.08188	2.2
319.13959	6.0
337.09283	1.0
345.15552	1.1
371.24323	5.4
372.24500	0.6
389.25424	38.0
390.25867	2.4
471.12848	2.7
507.12140	4.3
507.27942	55.2
508.28586	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54859	6.6
57.03428	7.5
59.01381	94.9
61.98834	64.3
69.52944	50.8
71.01380	77.8
73.02953	20.5
75.00892	8.1
85.02948	10.5
87.00882	8.2
89.02451	90.3
99.00880	26.9
101.02441	44.6
113.02460	24.6
119.03524	17.4
119.05035	80.4
126.23263	6.6
131.03503	13.8
132.02121	15.9
133.02927	10.8
134.03755	13.7
135.02994	19.4
149.04594	58.2
155.10828	13.5
160.01656	50.8
161.02440	27.7
163.03990	40.1
165.12901	8.1
175.03990	54.4
179.03499	8.3
191.05579	18.0
193.04967	14.8
211.13542	9.8
251.07756	8.0
265.10748	20.0
305.76044	8.7
389.16418	8.1
429.61343	6.9
444.35617	10.9
445.35907	17.2
447.22308	100.0
477.19397	11.5
507.22906	54.6
507.34015	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	507.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
58.00592	1.8
59.01377	3.4
61.98823	1.5
63.37803	0.3
65.00323	0.6
69.03454	0.4
71.01384	2.5
71.05023	1.3
71.52404	0.3
71.52808	0.5
72.99317	0.9
73.02946	2.4
75.00872	3.7
75.02993	0.3
81.03477	0.5
83.01370	1.9
83.05025	0.4
85.02953	1.3
87.00897	0.6
87.04513	3.9
89.02447	1.0
93.03463	0.6
95.05040	0.7
97.02997	0.3
97.06579	2.2
99.04530	0.3
99.08160	0.6
101.02457	0.9
107.01347	0.8
107.05028	0.4
107.37557	0.3
109.06605	0.5
111.08178	0.4
113.02436	0.5
113.06092	1.0
117.01942	0.9
117.03467	0.8
119.05025	3.5
121.02973	0.4
121.06554	0.4
123.00829	0.4
123.04529	0.4
123.08141	1.9
124.01703	0.4
125.02440	7.7
125.09715	11.2
127.11272	1.7
132.02191	0.4
132.08092	0.3
133.02951	0.7
133.99583	0.3
134.03745	0.8
135.03006	3.9
135.03976	0.3
135.04533	1.4
135.94035	0.3
137.02426	1.1
137.09711	0.4
139.07646	1.0
139.11365	0.4
141.09196	0.6
143.10770	0.5
145.02930	2.3
149.02417	0.6
149.99544	0.6
151.00374	4.2
153.09192	1.4
155.10786	2.0
157.08739	1.5
160.01624	1.7
161.02414	2.3
163.04008	3.1
165.05640	0.4
165.12849	1.3
167.10663	0.4
168.00658	1.1
169.01419	11.6
169.08678	0.3
170.01758	0.5
171.10271	7.1
175.03978	2.0
178.02721	0.3
179.03406	1.0
183.10263	1.2
183.13876	3.2
185.36229	0.3
193.04939	0.6
199.09756	1.3
201.11308	100.0
202.11667	3.3
205.15416	0.3
215.07065	0.4
223.06081	0.5
227.03473	0.4
227.12840	3.2
285.04022	0.3
300.02609	0.5
301.03494	1.1
302.03519	1.4
303.03922	0.9
307.08160	0.9
319.13922	5.6
327.16202	0.5
331.06625	0.4
337.09186	0.8
343.21161	0.4
345.15585	1.5
345.22919	0.4
369.24289	0.5
371.14789	0.5
371.24399	5.5
387.23703	0.4
389.25430	38.4
390.25793	3.0
465.26337	0.4
471.12906	1.4
507.11191	2.9
507.19839	2.2
507.27908	51.3
508.11264	0.4
508.28073	4.3
508.34122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10513	1.1
55.01861	1.0
57.03452	1.8
58.00577	1.2
58.48947	1.0
59.01382	27.5
59.13502	0.9
60.99312	1.7
61.98837	2.4
69.03468	1.7
71.01385	19.6
71.01875	2.0
71.05048	1.5
72.99314	1.1
73.02942	5.2
75.00864	1.8
81.03477	1.8
83.01396	1.7
85.02945	8.3
87.00880	1.2
88.98811	10.4
89.02442	18.6
89.02940	1.5
91.50065	1.0
95.01376	2.2
97.06616	1.1
99.00868	2.4
99.04517	1.2
99.92244	1.2
101.02442	13.1
103.04073	1.5
111.08155	3.4
113.02436	8.2
117.03469	1.9
119.03511	5.3
125.02461	1.5
133.02959	12.8
135.04507	7.8
135.06635	11.8
135.27789	1.1
137.02560	1.3
137.09781	1.1
143.03368	1.0
145.02910	7.7
161.02443	44.9
161.04567	2.4
162.02892	2.2
163.04021	1.3
165.12837	20.7
165.14124	1.6
166.06406	2.4
169.01396	1.5
179.03508	6.5
179.05644	2.9
181.08752	2.2
183.13898	54.8
184.14226	2.5
197.15427	9.5
207.13966	1.9
209.11838	2.9
209.37337	1.1
216.03616	1.1
225.15025	1.2
227.12862	10.7
279.10751	1.2
297.11908	18.7
302.58276	1.1
327.14432	8.9
345.15701	4.7
359.89984	1.1
463.19885	3.4
507.18951	8.1
507.24667	100.0
508.24966	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
58.00586	1.3
59.01381	28.4
61.98835	4.7
62.68974	0.8
69.03481	1.0
69.46341	3.8
69.46769	1.6
71.01009	1.4
71.01379	23.2
72.99334	0.9
73.02942	6.5
75.00861	2.2
81.03451	0.8
83.01377	2.5
85.02953	6.9
87.00876	3.2
87.04510	1.4
88.98829	1.1
89.02443	15.6
91.32419	0.7
93.03457	1.3
95.01396	1.5
97.02908	1.4
97.06584	0.8
99.00890	2.2
99.04529	0.8
101.02440	16.1
111.08180	2.2
113.02444	8.7
117.03478	7.4
117.05571	3.6
119.03535	5.1
119.05010	5.0
123.46555	0.7
130.71951	0.8
131.03485	2.0
133.02953	4.5
135.03011	1.0
135.04514	4.8
135.06639	23.9
136.28882	0.8
137.02425	2.2
145.02950	35.9
152.65904	0.8
161.02452	14.1
161.04581	3.1
161.05907	1.4
163.04013	5.7
164.04536	1.0
165.12828	16.4
179.03497	5.7
179.05734	0.9
181.12381	0.9
183.13895	41.1
183.23164	0.7
184.14249	2.0
187.03970	2.0
197.15433	6.4
205.05067	1.3
209.11812	1.8
221.04506	1.1
225.14973	1.6
227.12900	7.2
228.13269	0.8
251.05629	1.1
265.07181	1.2
279.10715	1.5
281.06531	1.0
297.11890	45.8
298.12299	1.0
298.42499	0.9
307.08176	5.6
315.18301	2.2
323.07666	2.6
411.11105	1.0
447.22229	7.7
471.13068	5.8
489.23657	1.2
507.24454	100.0
508.24564	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	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.6
59.01377	38.5
60.99297	3.0
61.98824	23.0
61.99070	1.8
69.03469	2.7
69.17266	6.3
69.17697	12.8
70.09734	1.9
71.01379	23.9
71.05046	2.0
72.99289	2.7
73.02959	7.5
75.00877	8.6
83.01399	3.6
83.05012	2.4
85.02961	9.4
86.89224	1.7
87.00917	3.8
87.04536	3.3
88.98815	11.7
89.02442	25.9
93.03453	26.0
93.03944	2.4
94.03831	6.4
95.01402	3.3
99.00880	3.0
100.74108	2.0
101.02435	21.8
109.02969	2.0
111.08167	6.9
113.02437	11.6
117.05616	2.8
119.03547	7.7
119.05036	3.9
123.00914	2.2
125.02478	5.0
133.02963	6.4
135.02998	15.3
135.04568	6.4
135.06653	13.7
137.02443	42.4
138.02750	10.9
139.02959	5.2
143.03546	2.1
145.02985	6.6
149.04585	3.5
160.01683	2.9
161.02451	19.2
161.04590	3.5
163.04088	4.8
165.04018	3.2
165.12831	40.7
175.04024	3.7
179.03589	4.1
179.05624	2.9
183.13885	65.9
184.14304	2.0
197.15494	5.8
209.11882	4.7
212.29172	2.0
227.03644	3.4
227.12862	24.2
239.05893	2.3
283.13705	2.9
297.11877	39.3
301.20441	2.4
327.15912	2.5
345.06506	2.3
345.15970	4.5
350.78720	2.3
371.14874	10.5
375.20419	7.6
413.30219	2.1
447.22089	2.9
507.10107	4.9
507.24612	100.0
507.33478	4.2
508.24826	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	507.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01383	5.7
61.98838	0.8
67.19765	0.5
70.04218	2.1
71.01376	4.6
73.02969	0.8
85.02953	1.9
89.02457	2.1
99.53793	0.5
101.02443	2.0
105.03442	1.1
111.00910	0.5
113.02453	1.2
117.03489	1.1
121.02958	1.1
132.02179	20.7
132.03191	1.1
133.02975	5.8
134.03743	16.8
135.03020	0.8
135.04495	2.1
137.02458	1.9
139.04063	0.5
145.02818	0.5
149.06055	2.4
155.81598	0.5
160.01662	96.2
161.02196	2.2
175.03999	100.0
176.04317	2.6
177.05623	0.5
178.02629	0.6
179.03502	2.2
180.08023	0.9
191.07150	0.6
193.05067	15.6
194.05435	0.7
221.04520	0.7
223.09746	2.1
227.12706	0.6
235.06142	1.1
301.35373	0.6
345.15778	0.7
459.14615	0.6
477.19266	1.6
489.19125	1.3
492.20407	1.3
507.22342	98.0
508.22754	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	507.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
58.00598	1.4
59.01379	19.7
61.98832	5.9
63.44942	0.8
69.03459	2.6
71.01370	8.4
71.01669	0.8
71.05035	0.8
72.99312	2.3
73.02947	7.6
75.00891	3.9
81.03414	0.9
83.01403	1.2
85.02952	7.9
87.00875	3.0
88.98804	1.4
89.02446	4.5
99.00887	1.3
99.04536	0.9
101.02443	4.0
106.48338	0.8
108.71507	0.8
109.02946	1.0
111.08175	2.0
113.02428	2.3
117.03438	1.7
119.03548	1.1
121.02982	3.2
122.03737	1.7
124.17720	0.8
125.02467	2.1
131.03488	1.6
133.02977	3.9
134.03731	1.1
135.03003	4.3
135.04523	16.0
137.02446	1.6
145.02971	3.4
148.05351	1.4
149.04611	1.2
149.06026	1.5
161.02438	16.7
161.04578	2.5
163.04062	1.4
164.04776	2.1
165.04044	2.5
165.12822	10.0
166.06342	25.1
167.07162	7.2
169.01447	3.2
175.04015	1.9
179.03499	11.3
179.05103	0.9
179.05766	1.4
179.07005	3.8
181.08704	32.7
182.09039	1.3
183.13908	18.6
185.25052	0.8
195.06627	3.3
197.15544	1.0
197.58604	0.9
207.13666	0.8
227.12837	9.1
297.11932	2.6
312.12259	5.9
327.14456	100.0
328.14877	5.5
343.28732	1.0
345.15460	4.1
363.14014	1.0
375.16605	3.9
389.18158	2.0
445.33444	1.6
447.21863	1.1
507.22678	30.0
507.33359	1.2
508.22391	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	507.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81517	0.4
56.54284	0.3
57.03447	0.6
58.00605	0.5
58.91434	0.3
59.01377	7.3
61.98837	1.7
66.62808	0.3
69.59522	1.2
69.59950	0.9
71.01379	6.3
71.05017	0.6
72.99287	0.7
73.02947	1.3
73.58732	0.3
75.00874	1.1
75.49606	0.3
78.42424	0.3
83.01382	0.6
85.02952	2.2
87.00863	0.9
88.98798	0.3
89.02448	3.4
89.03981	0.3
93.45117	0.3
95.01395	0.4
95.05036	0.5
99.00874	0.8
101.02438	3.2
104.78853	0.3
105.03465	1.2
109.02934	0.8
113.02461	1.6
113.42245	0.3
117.03435	1.2
119.03493	0.4
119.05016	0.9
121.02951	1.0
125.02452	0.7
132.02167	21.7
133.02986	6.2
134.03741	18.3
135.03009	2.7
135.04570	2.6
137.02409	1.9
138.01974	0.3
139.03976	0.5
145.02965	0.9
147.04530	0.9
149.04607	0.5
149.06068	3.1
153.01910	0.5
159.31807	0.3
160.01656	96.8
161.02312	3.9
161.04549	0.8
163.04024	0.7
169.01453	0.4
172.03497	0.3
175.03992	98.1
176.04367	3.0
177.01944	1.4
177.04109	0.4
177.05557	0.9
178.02708	1.1
179.03479	2.4
180.07907	2.1
183.13882	0.8
187.07654	0.4
191.07204	0.3
193.05038	15.1
194.05507	0.3
203.03394	0.3
203.07098	0.3
208.07404	0.6
209.76143	0.4
211.13390	1.1
221.04437	0.5
223.09723	3.8
227.12759	0.6
231.80994	0.3
232.07408	0.4
233.08147	0.4
235.06085	1.0
247.09702	0.8
248.10411	0.3
252.04144	0.3
253.05043	0.4
262.43765	0.3
265.07291	0.4
295.08084	0.7
327.16183	0.5
345.15854	0.4
371.14920	0.8
389.16013	0.6
417.13522	0.4
421.15103	0.4
445.33829	0.4
447.14490	0.5
447.22079	0.3
459.14639	1.0
462.16803	1.0
471.31552	0.3
474.16782	0.4
477.19049	4.5
478.19495	0.4
489.19214	2.8
489.32111	0.7
492.20132	1.8
507.22336	100.0
507.33395	4.8
508.22711	9.9
508.28732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38286	0.7
55.50249	0.8
57.03442	1.0
59.01383	6.3
61.98833	6.1
71.01379	3.2
71.05017	2.9
73.02946	1.3
75.00848	1.7
85.02959	0.9
89.02422	2.3
93.03457	1.4
95.01377	0.9
98.20681	1.5
101.02464	2.6
109.02905	0.9
113.02445	2.3
117.01875	1.4
119.03493	0.8
119.05016	2.1
120.99646	4.2
121.02922	4.3
122.03698	1.2
123.04507	1.3
125.02451	5.9
129.51207	0.7
133.02937	5.9
134.03740	9.4
135.02969	1.7
135.04501	6.4
137.02412	1.9
139.04005	11.4
145.02982	3.9
146.03773	1.9
147.04526	2.1
149.02415	3.2
149.04939	0.8
149.06038	4.1
150.03221	6.0
151.00381	0.9
151.04053	1.0
153.01889	1.5
161.02434	16.7
161.04524	0.9
161.06136	0.8
162.02808	1.3
163.04033	1.2
164.04767	1.6
165.01909	2.3
165.04341	1.1
165.05574	8.0
167.07114	5.3
169.01422	3.9
173.04515	1.9
174.04887	1.2
177.01888	1.7
177.05647	1.3
178.02646	4.6
179.03528	4.3
179.07129	3.1
179.10490	0.8
180.03935	0.9
180.80527	0.8
181.01381	1.8
181.08745	1.3
183.02969	1.6
183.10237	1.1
191.03625	1.0
191.05659	2.5
193.05023	13.4
195.06635	6.3
203.03485	1.1
209.08113	1.8
221.04436	1.1
225.09123	1.5
227.07152	1.4
231.03072	0.9
237.05609	1.1
238.06383	1.2
239.07111	1.3
240.04350	1.2
241.04932	1.3
250.06331	1.0
251.07259	0.9
253.05124	1.5
253.08704	1.2
255.06589	5.2
256.11096	6.2
265.08713	1.4
267.06601	7.1
267.09982	0.9
269.08124	3.5
272.63474	1.0
275.01862	1.2
281.06824	0.8
282.08948	1.2
283.09662	4.6
284.10516	5.2
285.03943	2.4
295.09799	4.9
296.10416	9.4
297.08215	0.9
297.11197	4.1
299.09277	2.9
300.10016	25.8
300.99933	0.9
301.10544	0.9
310.08640	3.8
311.09219	18.2
312.10004	38.9
313.05646	2.0
313.10367	1.6
315.12366	54.8
316.12830	4.0
323.07602	1.4
327.12350	100.0
328.12781	5.6
341.10104	3.0
345.13977	5.6
355.09988	1.0
389.12534	1.8
444.15891	3.0
477.17697	6.1
489.17902	2.1
507.11282	10.5
507.18588	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	507.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40121	1.0
56.62924	0.8
57.03442	1.5
57.77644	1.0
59.01376	11.3
61.17681	1.0
61.98831	5.5
63.33875	1.0
69.61851	2.7
69.62238	2.2
71.01378	7.7
72.99308	2.7
73.02943	1.8
75.00876	14.9
85.02938	2.5
87.00882	1.4
89.02452	5.9
93.03471	2.0
94.63932	0.9
95.01364	1.6
99.00879	1.0
101.02430	4.4
111.08154	1.9
113.02452	2.8
117.01922	2.0
119.03480	1.3
121.02933	1.8
123.04556	1.1
124.01660	1.1
125.02441	4.3
132.02187	1.0
133.02948	2.6
135.02994	55.6
135.04536	1.6
136.03302	2.0
137.02429	4.6
139.04015	2.4
145.02957	1.8
149.02431	11.8
150.03137	1.6
151.00362	0.9
161.02440	5.1
161.04558	1.0
163.04007	2.3
164.04799	2.7
165.12843	33.6
166.13190	1.0
167.10994	1.0
168.00668	1.1
169.01416	4.8
172.10159	1.0
175.03975	1.1
179.03438	1.9
183.13899	87.3
184.14273	3.0
197.15463	1.0
205.05032	1.9
207.13890	2.5
209.11826	3.4
225.14923	1.0
227.12880	100.0
228.13208	3.3
243.15979	1.3
251.12924	2.7
297.11450	1.7
301.16580	1.3
327.15100	1.1
345.15515	41.4
346.15860	2.6
355.06903	1.9
359.24118	1.4
367.10001	1.0
371.15079	1.1
387.16623	1.6
389.18106	7.0
389.25345	12.7
390.25854	1.3
404.60828	1.0
465.26813	2.3
477.19211	6.5
507.20697	47.6
507.27975	9.8
507.33066	1.3
508.20743	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	507.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
59.01384	9.4
61.98819	2.6
64.94143	1.5
71.01372	4.0
72.34208	1.3
72.43259	1.2
75.00874	2.1
85.02970	1.3
89.02454	3.2
93.03452	2.7
101.02401	2.1
113.02441	2.0
114.47330	1.3
117.01933	1.3
121.02950	12.8
122.03728	5.6
123.04537	1.3
125.02443	4.7
133.02953	4.9
134.03745	48.5
135.02986	3.6
135.04475	2.9
137.02435	5.8
139.04005	3.4
145.60817	1.4
149.02438	18.2
149.06047	13.5
150.03221	46.7
151.03760	1.2
161.02481	7.5
162.59270	1.4
164.04758	4.6
165.05571	58.7
166.05885	1.4
168.00598	1.5
169.01387	2.7
178.02701	26.1
179.03477	2.4
180.04245	5.6
183.10303	3.1
193.05048	100.0
194.05334	2.1
195.04858	2.0
195.06624	36.3
197.11885	2.9
210.68958	1.4
229.11980	1.3
233.06024	1.5
239.07047	2.6
241.10794	1.8
249.05533	1.6
250.06319	3.7
254.09549	1.5
255.45367	1.2
282.09006	11.6
294.15170	1.3
341.10284	49.8
342.10663	2.9
359.13330	2.2
389.07202	1.9
389.12311	15.9
389.17413	2.1
447.24493	1.6
507.16251	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	507.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14846	1.4
58.94953	1.2
59.01377	19.5
61.98810	5.3
65.00314	1.6
69.80511	7.8
70.45605	1.4
71.01385	12.6
71.05022	26.5
73.02953	2.5
75.00854	4.4
83.01384	2.6
85.02933	6.1
87.00883	1.7
89.02433	8.5
93.03472	1.8
95.05005	2.7
97.02962	7.5
98.20632	3.1
101.02477	7.9
101.05256	1.4
107.01363	2.0
111.00834	2.0
112.80527	1.3
113.02428	5.4
118.98069	2.0
119.03516	4.1
120.99654	39.8
121.02929	5.6
123.00859	2.3
125.02444	16.3
133.02953	20.1
134.03772	17.1
135.02953	4.0
135.04527	17.8
137.02460	9.6
139.00307	3.7
139.04015	100.0
140.04317	2.1
145.02888	3.8
146.03719	2.9
148.82530	1.7
149.02446	4.3
149.06029	6.7
150.03232	11.3
151.00304	2.3
151.03949	3.1
153.01927	2.8
161.02437	64.2
161.04488	2.9
161.06021	2.8
162.02739	1.9
163.04001	3.7
165.01910	17.7
165.04266	1.7
165.05565	9.9
167.03481	2.3
167.07092	5.0
169.01416	16.8
175.04005	2.3
177.01894	3.8
177.05499	2.4
178.02684	8.9
179.03543	9.0
179.05608	1.9
181.01404	4.1
181.08653	2.6
182.40921	1.5
183.03006	10.0
183.10251	7.7
191.05524	2.9
193.05005	27.1
195.06587	7.4
197.11681	3.0
203.03499	2.0
205.04974	1.5
211.02435	1.6
221.04610	2.6
253.05025	2.1
255.06673	2.1
256.10974	2.8
267.06552	4.9
269.08029	2.0
282.08945	2.5
283.09857	3.1
284.10559	4.2
285.03818	3.8
295.09769	4.5
296.10471	6.6
297.11292	3.0
300.09955	14.1
300.99771	2.9
301.09937	1.5
310.08582	1.8
311.09201	10.2
312.10004	21.6
313.05688	10.5
315.08698	2.3
315.12366	40.6
316.12839	3.3
323.07547	17.8
323.10318	1.4
327.12329	70.1
328.12579	4.4
339.07291	2.3
341.10089	6.8
345.08356	4.0
345.13303	7.5
359.13303	2.5
389.12540	1.8
389.18057	1.7
463.12286	6.8
474.14816	3.2
477.17386	8.9
489.10199	23.8
489.17416	9.7
490.10535	2.8
507.11252	62.4
507.18338	6.0
508.11685	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	507.114
Annotation	Moghanin A
Peak:m/z	Relative Intensity
59.01367	4.9
62.30720	1.5
69.03452	1.6
69.32945	12.8
71.01377	3.8
79.01893	2.6
82.50012	1.8
95.01400	2.7
97.02940	1.8
101.02420	2.4
107.01389	7.3
111.00918	2.3
113.02479	2.3
117.03493	2.5
123.00901	21.2
125.02454	39.3
132.02173	1.8
133.02940	4.1
134.03757	23.1
135.04477	5.3
137.02440	2.3
139.00356	6.2
147.04507	3.0
148.05342	2.5
149.06079	7.3
151.00415	9.7
153.01935	2.3
160.01630	10.4
161.02386	6.6
163.27675	1.7
168.00621	4.5
169.00005	3.1
169.01411	51.8
170.01685	2.0
172.64716	1.8
173.06125	1.9
175.04002	13.9
176.04799	8.2
178.02670	3.4
179.03445	4.5
183.03020	8.6
190.32854	2.0
191.07140	9.8
193.05043	22.4
207.06551	1.9
211.02388	8.9
221.04541	1.8
224.97726	1.7
235.06079	18.8
265.07202	4.9
281.06711	2.2
295.08249	6.6
302.03281	2.1
303.03912	2.4
313.05621	5.0
323.07660	8.6
324.07666	1.8
345.08258	3.1
349.81107	2.1
355.10211	2.7
389.25784	2.4
447.09091	3.6
451.34717	2.1
463.07684	2.1
463.14996	2.5
507.11343	100.0
508.11514	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	507.1142
Annotation	Moghanin A
Peak:m/z	Relative Intensity
59.01384	1.1
69.03443	2.1
69.45796	3.9
71.01382	0.8
79.01880	1.0
81.03426	1.5
83.01386	1.4
95.01375	2.0
97.02949	2.9
98.20663	0.7
107.01399	1.3
114.90027	0.6
121.02953	1.4
123.00901	9.0
124.01665	21.9
125.02446	44.8
126.02764	0.9
132.02203	1.0
134.03746	6.0
135.04533	0.9
137.02449	1.7
137.81105	0.7
149.99583	35.5
151.00296	2.7
160.01660	10.9
161.02406	2.2
168.00636	60.2
169.01413	15.6
172.34888	0.6
175.00514	0.6
175.03993	9.6
190.02751	1.0
191.03484	0.7
193.05045	2.9
205.05121	1.4
247.97884	0.7
304.24091	0.6
313.05624	4.0
331.06680	15.9
332.06885	0.7
489.10266	1.3
507.11386	100.0
508.11728	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	507.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01953	0.8
57.56231	0.7
59.01378	4.2
69.59553	2.1
69.59988	2.8
71.01376	3.0
73.02924	0.8
75.00865	1.5
85.02950	1.1
87.00844	0.7
89.02441	1.1
93.03460	2.4
98.20648	1.3
101.02435	1.5
111.00849	0.8
116.19137	0.8
117.01942	1.3
117.03446	1.0
119.05003	1.2
121.02953	4.1
122.03722	3.9
123.00906	1.0
124.01654	1.0
125.02456	5.9
133.02946	4.5
134.03741	37.7
135.03020	1.2
135.04587	3.3
136.01704	0.8
136.09996	0.7
137.02440	5.8
139.00366	1.4
139.04015	2.0
139.86734	0.6
149.02419	8.5
149.06078	12.3
150.03221	41.6
151.03648	1.0
153.01939	1.2
160.01694	0.7
161.02408	9.9
163.03990	1.8
164.04773	1.9
165.05560	47.6
166.05919	1.7
168.00566	3.5
169.01443	8.5
178.02704	24.2
179.03389	2.7
180.04207	3.8
181.05074	0.8
183.02992	2.7
193.05046	100.0
194.05351	3.6
195.06615	37.3
196.07008	0.8
211.02504	0.8
221.04439	0.9
233.66249	0.7
282.08984	1.4
285.03922	0.9
303.05170	0.9
323.07687	2.6
331.06683	2.8
335.16248	0.8
341.10284	4.0
389.12448	4.6
389.17392	0.7
459.12744	1.2
507.11115	4.5
507.15829	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	505.3535
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
57.03450	28.8
58.00589	1.8
59.01379	1.9
63.22585	0.6
69.28384	5.5
71.05021	3.9
94.93437	0.5
130.24663	0.5
144.27299	0.5
163.83026	0.7
170.11386	0.6
225.18097	0.7
247.92017	0.7
251.75760	0.6
255.02878	0.6
271.02426	1.0
299.99490	0.7
300.02704	1.5
301.03558	1.0
307.19287	2.3
337.25424	1.4
339.27203	0.9
353.28412	3.8
367.30048	1.3
369.28085	2.1
371.29645	2.3
375.37427	0.7
383.29547	11.0
385.31149	8.1
386.31232	0.6
411.32547	0.8
429.30246	1.6
441.33636	1.0
443.35309	12.0
444.35776	1.0
453.39755	0.7
461.36517	1.2
487.34061	2.3
505.35455	100.0
506.35831	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	506.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
95.51589	82.0
135.29282	69.8
241.89465	75.0
331.16995	79.6
477.92447	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1139
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
59.01367	3.2
71.01356	2.3
71.05022	26.1
75.00877	1.8
83.01372	2.1
85.03016	1.4
90.53269	1.3
95.05003	2.6
97.02940	4.0
121.02943	2.5
125.02416	2.8
133.02956	25.8
134.03697	3.1
135.04530	17.4
137.02423	2.9
139.04012	100.0
140.04320	2.3
149.06067	2.5
150.03209	2.1
161.02437	71.8
162.02664	1.5
163.04004	2.3
165.01930	8.3
165.05507	3.1
169.01317	2.3
177.05484	4.1
178.02747	1.6
179.03516	11.7
183.02951	9.9
193.04985	3.7
203.03378	1.4
221.04480	5.4
251.05385	2.0
280.05896	1.7
281.06564	2.5
323.07733	17.9
402.15033	1.3
459.12656	4.3
463.12653	6.5
489.10205	26.3
490.10245	1.7
507.11209	45.8
508.11359	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	505.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
59.01378	3.0
60.99305	0.6
61.98834	1.7
71.01385	1.4
71.05019	3.4
73.02945	0.7
83.01413	0.4
85.02941	0.7
86.19253	0.3
89.02469	0.5
97.06599	0.4
101.02451	0.7
109.06593	1.3
113.02509	0.4
121.02975	0.4
126.14153	0.4
133.02995	0.6
135.04544	0.5
137.02393	0.5
145.03058	0.4
151.00397	0.9
160.01613	0.4
161.02470	1.2
161.04602	0.5
165.12833	0.6
169.02902	0.3
175.04039	0.7
178.99832	0.4
183.13962	1.0
191.05731	0.4
198.94424	0.3
207.13913	0.4
227.12898	0.6
243.03079	0.9
254.02428	0.4
255.03079	1.5
259.17123	1.0
271.02484	4.2
272.03134	0.6
288.88544	0.3
298.01270	0.5
300.02747	7.2
301.03387	2.3
343.22610	0.5
380.84961	0.4
399.29498	0.5
405.30432	0.4
411.32730	0.5
413.31030	0.4
425.30923	1.2
441.34012	0.9
443.35345	1.5
445.33249	5.5
445.38504	0.5
446.33810	0.5
459.31870	0.4
469.29541	0.4
475.34570	0.6
487.30396	1.0
505.10330	3.4
505.35553	100.0
506.24210	0.4
506.35733	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	505.3534
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
55.91841	0.3
59.01369	0.5
60.99041	0.3
60.99307	2.5
61.01249	0.3
66.75011	0.2
67.48748	0.2
69.26566	2.3
70.32233	0.3
71.05002	1.1
79.28256	0.3
83.05020	0.3
85.06580	0.4
97.06613	0.3
108.23882	0.4
109.06551	0.3
116.91992	0.3
129.68820	0.3
130.88847	0.3
154.35399	0.3
205.15927	0.6
271.02496	0.3
300.02774	0.8
316.85483	0.3
329.27676	0.3
409.30893	0.5
425.34348	2.2
436.84543	0.3
441.33768	0.4
443.35583	2.9
444.35532	0.3
445.33154	1.1
461.36426	0.5
477.35867	0.3
487.34222	0.5
488.34076	0.3
505.35367	100.0
506.35645	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	505.3538
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
54.52614	0.5
57.03452	3.2
59.01377	10.4
59.62411	0.5
59.93870	0.5
60.99309	1.8
61.98811	0.9
62.34644	0.6
63.51378	0.5
69.31452	4.8
71.05037	2.2
77.07560	0.6
80.89029	0.5
83.05045	0.6
93.42595	0.6
93.89060	0.5
109.06655	0.8
112.32803	0.6
123.08172	0.8
125.09768	1.0
151.00288	0.6
227.03596	0.9
243.03067	0.9
255.02930	3.1
271.02493	6.7
300.02734	11.1
301.03516	4.4
339.26904	0.7
377.28726	2.5
378.28824	0.7
383.29892	0.9
385.31293	0.7
389.27539	0.8
393.31647	5.0
405.32010	0.8
409.31207	4.1
411.32666	19.8
412.33310	1.8
423.32571	3.2
425.34863	2.6
441.33957	2.0
443.36142	3.3
445.29779	0.6
455.31918	1.5
461.34921	2.0
473.32693	16.6
474.33109	1.3
487.35229	2.9
505.09851	6.4
505.35599	100.0
506.35883	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	505.3534
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
59.01372	8.0
61.98816	0.9
69.29234	6.2
71.01392	0.6
71.05018	0.7
78.95906	8.2
85.94688	0.7
96.96932	1.0
98.19844	1.1
107.01428	0.7
115.39983	0.6
124.30933	0.8
147.62189	0.7
151.00313	1.0
152.99580	12.7
171.00648	1.5
227.03293	2.3
227.32408	0.7
243.02969	1.5
245.04298	0.9
255.02998	1.3
271.02524	3.5
277.21707	66.0
278.22043	2.5
300.02698	5.0
301.03500	3.2
377.28400	0.9
395.33160	6.8
396.33643	0.8
397.34406	1.1
409.31052	4.2
413.34195	3.5
425.34326	10.4
426.34274	0.9
441.33743	2.2
443.35278	39.4
444.35767	5.1
505.10327	4.2
505.25720	21.3
505.35202	100.0
506.27243	1.3
506.35623	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	505.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04248	0.2
59.01377	1.1
63.16487	0.2
71.01406	0.7
71.05024	1.4
71.05370	0.2
73.02952	0.3
85.03030	0.3
109.06653	0.3
134.23341	0.2
139.04175	0.2
153.26414	0.3
165.12871	0.4
169.08728	0.4
218.50227	0.3
222.60330	0.3
233.70003	0.3
255.03114	0.3
257.69095	0.2
271.02484	0.7
280.38043	0.3
291.19797	0.3
300.02832	1.1
301.03424	0.4
305.21292	0.6
317.21262	0.8
361.23822	0.3
363.27383	0.3
379.30157	1.0
413.34399	0.3
443.35501	0.3
445.20746	0.6
461.36487	0.3
487.31265	0.4
505.35492	100.0
506.35791	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	505.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88215	0.7
57.03446	0.8
59.01376	1.8
61.44421	0.6
64.97314	0.6
67.67370	0.7
69.32098	1.3
69.32503	4.9
71.01393	1.2
71.05025	1.4
73.02954	0.7
92.36535	0.7
92.39711	0.6
93.03487	1.3
93.78855	0.7
98.19926	1.5
101.02451	0.7
121.93724	0.7
137.02448	1.5
162.64229	0.8
271.02454	1.3
300.02832	2.5
301.03333	0.8
348.97849	0.6
363.27081	0.7
379.29721	1.4
393.31705	1.3
395.33298	2.1
411.32855	1.4
413.34354	2.3
427.32086	1.2
429.33691	4.3
441.34036	1.2
443.35464	3.7
445.33246	0.7
461.36423	31.3
462.36697	2.9
505.10193	1.9
505.35492	100.0
506.35812	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	505.3534
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
58.00594	2.6
59.01355	0.9
70.99246	1.6
77.21449	0.6
101.32453	0.6
122.03543	0.7
132.82414	0.7
194.15515	0.6
204.12794	0.6
253.31375	0.7
300.02377	1.4
334.56033	0.6
361.25464	1.1
375.26849	1.0
377.28571	6.4
378.28656	0.9
391.30188	3.0
393.31702	10.9
394.31680	0.9
395.33054	0.8
407.29031	7.4
407.34000	1.5
409.31125	5.6
423.32727	27.3
424.32965	2.5
425.34286	10.3
441.33829	3.3
443.35199	3.6
453.30106	1.9
469.33124	3.9
505.35376	100.0
506.35638	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	505.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04462	1.7
55.94138	1.6
57.03437	7.6
57.37334	1.6
58.72950	1.6
59.01380	18.3
60.99289	2.6
61.98821	6.1
69.28081	16.5
71.01383	15.7
71.05013	6.9
73.02940	4.1
75.00872	21.5
83.01393	13.9
83.05019	3.1
85.02931	13.0
87.00874	2.6
89.02435	7.7
90.11785	1.6
98.19917	2.6
99.00855	3.4
101.02445	4.1
111.00889	20.5
111.08154	5.5
117.01981	1.7
124.86956	1.6
125.02379	1.8
125.35047	1.9
129.01945	33.7
135.02995	47.8
145.02937	4.6
147.03008	20.1
161.02391	5.4
165.12839	56.2
166.13173	2.7
176.73053	1.7
177.04018	20.0
183.13884	85.7
184.14180	2.9
188.91934	1.7
191.10806	1.9
197.15462	6.2
205.15907	5.2
207.13756	2.5
209.11790	6.9
227.12872	37.3
228.13225	2.3
249.15097	3.1
255.02974	5.0
271.02499	9.8
295.15292	2.2
300.02802	15.6
301.03479	6.8
339.14407	2.6
357.15683	13.2
379.26871	1.8
387.16599	100.0
388.16980	6.9
411.32703	3.5
425.34286	21.7
426.34384	3.0
441.33768	6.8
442.34125	3.7
443.35291	93.0
444.35565	8.9
475.34033	5.1
487.34610	32.4
488.34348	4.7
504.34219	2.2
505.10132	12.5
505.19217	91.4
505.31717	10.5
506.19370	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37338	0.7
59.01380	1.4
63.68145	0.7
67.42385	0.8
70.20567	2.9
78.95905	23.9
81.58378	0.7
96.96957	2.2
97.57391	0.8
140.13268	0.7
152.99579	36.1
171.00574	1.5
171.99089	0.7
227.03189	5.4
245.04253	1.9
277.21701	100.0
278.22015	6.2
300.02725	1.4
413.21033	1.0
505.25693	63.5
506.26028	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	505.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99292	3.0
69.25851	6.1
71.05016	5.2
79.78484	0.6
82.52998	0.7
83.05024	1.1
85.06577	0.9
97.06547	0.8
103.15276	0.6
123.08219	0.7
127.13553	0.8
205.15961	5.9
325.25162	1.3
337.25516	1.0
339.23270	0.8
393.27948	1.2
395.29785	1.4
405.31738	1.2
407.32965	0.7
409.31192	1.5
411.32947	3.9
423.32684	1.2
425.34271	28.2
426.34436	2.9
441.33853	8.2
443.35291	100.0
444.35733	9.7
457.33200	2.1
461.36880	1.2
474.05518	0.7
475.34204	5.8
487.34317	24.1
488.34793	2.3
505.36398	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	505.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
58.00587	1.1
60.99009	0.7
60.99307	11.7
69.25513	0.7
69.25914	5.0
71.05023	6.4
83.05029	1.6
85.06584	1.7
97.06592	0.7
151.45659	0.6
205.15967	5.1
247.32817	0.6
275.58551	0.6
297.22403	0.6
305.21115	1.4
307.20450	0.7
321.22260	0.8
325.25436	1.8
343.26242	0.9
393.27979	1.9
395.29410	2.1
405.31427	1.0
409.31250	1.6
411.32697	4.2
423.32596	1.8
425.34290	21.9
426.34457	1.9
427.32190	0.9
439.32034	1.5
441.33762	13.3
442.34042	1.7
443.35272	100.0
444.35684	10.3
457.33014	3.5
461.36337	2.1
475.34283	18.9
476.34698	2.5
485.33023	0.8
487.34283	21.9
488.34515	2.5
505.35519	34.0
506.35947	4.1
506.42169	0.9
519.33698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19492	0.4
51.22856	0.3
59.01382	2.5
61.98842	0.4
69.55429	2.6
71.01376	3.2
71.23061	0.4
73.02948	0.9
83.01376	0.6
85.02939	1.0
87.00858	2.0
93.03434	0.5
101.02443	1.1
105.03459	0.9
107.01369	0.7
109.02921	1.1
111.00874	0.5
113.02439	0.9
115.00374	5.2
117.03482	1.0
119.05014	0.5
121.02949	4.4
123.04498	0.6
125.02447	1.2
132.02153	1.8
133.02953	36.9
134.03812	2.4
135.04521	19.2
136.04854	0.6
137.02452	1.1
137.06073	1.2
149.06053	1.6
151.00360	0.9
161.02432	100.0
162.02747	3.1
166.06343	23.2
166.07468	0.4
167.06934	1.1
169.01390	1.2
175.02475	14.0
175.03931	0.8
177.05551	2.6
178.02618	0.6
178.99864	0.5
179.01907	0.7
179.03482	12.0
181.05150	2.4
181.08713	7.9
193.05017	1.2
203.03441	0.9
220.03812	0.6
221.04559	2.7
226.59764	0.4
243.02936	1.1
254.02107	0.6
255.02983	2.9
263.05545	0.6
271.02457	6.3
272.03192	0.7
280.05829	0.6
300.02753	10.5
301.03494	3.9
323.07681	19.9
324.07956	1.3
327.03549	4.6
327.14355	0.5
337.09253	0.7
343.10242	1.5
359.15009	0.4
505.09924	6.8
505.17050	65.9
506.10309	0.7
506.17325	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	505.1353
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
57.03432	1.2
59.01380	5.7
60.22497	0.6
61.98811	2.7
66.66629	0.7
69.03427	0.7
69.35881	0.5
69.36185	5.8
71.01385	4.7
71.05014	5.5
73.02922	2.4
75.00843	2.0
81.03440	0.8
83.01366	1.3
85.02931	3.1
87.00839	1.0
89.02440	1.9
93.03455	4.5
95.01358	0.7
97.06570	2.6
99.00901	0.8
101.02414	2.5
105.03432	1.1
107.01373	3.3
107.05029	0.8
108.02142	1.8
109.02916	2.0
113.02428	2.7
117.03456	3.1
119.04999	0.9
123.00840	2.2
123.04509	1.4
125.02431	3.1
132.02173	2.4
133.02956	37.2
134.03741	1.9
135.02911	1.9
135.04521	34.3
137.02454	4.6
137.06023	0.8
145.02953	3.6
148.05200	0.9
149.02473	1.2
149.06030	1.8
150.03215	1.1
151.00360	14.9
151.03943	0.9
152.01137	2.3
152.04779	1.3
159.04449	1.3
160.01703	3.2
160.03140	0.6
161.02448	100.0
162.02798	3.3
163.00400	0.8
163.03967	1.6
163.11340	1.1
166.02716	50.8
167.03394	2.8
167.07156	1.4
169.01459	1.2
169.27501	0.7
175.00465	1.0
175.02634	1.0
175.03978	5.1
177.01939	2.4
177.04207	1.0
177.05568	5.3
177.71730	0.6
178.02748	0.7
178.99940	1.4
179.03508	25.1
180.03961	0.9
181.05069	29.7
183.13893	2.0
190.02670	2.9
191.03734	1.1
191.05626	4.9
193.04987	1.2
197.11937	0.9
198.03271	1.6
203.03506	3.4
205.05064	2.6
221.04541	8.7
221.07869	0.7
227.03491	2.1
227.12730	0.9
243.02940	2.1
251.05734	1.0
255.02956	6.5
263.05630	1.7
269.04474	0.8
271.02472	12.9
280.06003	0.9
284.03253	1.8
285.03934	1.0
298.01221	2.7
300.02710	17.5
301.03491	10.0
313.03638	2.0
323.07690	91.9
324.08127	4.9
331.04645	1.3
337.09445	2.0
341.13995	1.2
353.08707	1.0
367.10281	1.3
369.24359	2.4
385.65027	0.7
387.16629	1.1
387.24176	0.8
441.30270	1.0
445.24896	1.3
463.25192	0.9
472.61819	0.7
484.84183	0.7
487.30984	1.3
504.34360	1.0
505.10391	11.0
505.32251	24.9
506.10147	0.9
506.32266	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	505.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00985	1.3
50.43832	1.4
56.47996	1.4
57.03438	2.0
59.01379	18.1
60.99286	4.2
61.98832	10.9
69.94987	7.0
71.01373	12.6
85.02926	7.3
87.00877	4.3
88.00401	1.7
88.98804	33.6
89.02436	30.2
93.03441	5.1
93.40669	1.4
101.02436	3.3
108.02166	2.8
109.02947	60.1
109.54552	1.4
113.02426	2.5
119.05025	2.0
121.02869	1.5
122.84324	1.4
125.00921	1.6
125.02429	5.5
131.03473	2.3
133.02928	4.5
135.03004	1.4
135.04530	8.5
137.02437	35.8
145.02953	1.8
149.04529	4.0
151.03989	9.8
161.02444	20.0
169.01424	3.4
173.04524	5.9
177.02094	1.8
179.03508	8.5
180.30180	1.5
181.01416	18.8
191.05603	100.0
192.05899	2.5
209.08072	3.0
219.27243	1.6
244.86758	1.7
255.02998	1.9
271.02380	5.6
293.08527	4.4
300.02655	5.5
301.00000	2.3
301.03311	2.6
310.08273	1.9
323.07608	7.0
325.10782	1.9
343.06842	2.3
353.08777	19.5
387.16556	2.5
433.11398	3.2
505.09619	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	505.0984
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
52.36144	0.3
59.01379	1.5
61.98840	0.3
63.02413	0.4
65.00337	1.4
69.72218	0.8
69.72606	0.7
71.01397	0.9
75.86885	0.2
78.95914	0.5
79.99430	0.3
83.01389	0.6
83.57203	0.3
85.02940	0.4
89.02454	0.5
93.03478	0.3
95.43288	0.4
96.96024	0.5
96.96971	0.9
98.20589	0.4
107.01394	1.8
108.02202	0.9
109.02944	1.3
111.00841	0.3
119.01319	0.4
121.02979	1.5
125.02438	0.8
133.02948	0.5
135.00874	0.9
135.04550	3.0
137.02457	0.6
145.02946	0.7
148.01677	1.7
151.00372	8.5
152.01051	0.4
153.01944	0.7
161.02457	1.6
163.00398	1.7
163.04039	0.4
164.01123	0.6
166.02864	0.3
169.01434	0.9
178.99869	4.2
179.03430	0.5
181.01491	0.3
181.05125	0.6
183.04379	0.3
186.03442	0.3
187.03990	0.5
190.99770	0.3
191.05615	3.3
199.04033	0.9
200.91071	0.3
201.01910	0.3
201.05530	0.5
211.03947	0.9
215.03584	0.9
216.04330	0.8
226.02710	1.3
227.03522	3.2
229.04907	0.6
237.98636	0.3
243.02979	10.4
244.03525	0.8
245.04654	0.6
254.02177	2.0
255.02979	28.4
256.03366	1.4
271.02472	56.2
272.02960	4.5
273.03983	0.6
283.02390	0.9
299.02057	1.4
300.02737	100.0
301.03452	32.7
302.03809	1.6
307.08295	0.6
323.07733	0.7
343.04291	0.5
353.08969	0.8
387.16623	0.8
463.08850	8.3
464.09222	0.5
505.09860	52.3
506.10138	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	505.099
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
55.01880	1.6
57.03439	3.1
59.01379	25.4
69.03426	1.7
69.34708	12.9
71.01375	22.4
71.02137	1.2
72.99295	2.2
73.02946	7.3
83.01408	5.5
85.02952	13.2
87.00888	2.6
88.98814	2.6
89.02440	6.6
93.03465	3.5
95.01393	3.7
99.00839	1.9
101.02448	16.7
107.01395	3.6
109.02946	3.2
110.45323	1.3
111.00847	1.8
113.02458	6.8
119.03506	2.3
119.37534	1.7
121.02928	3.3
121.95342	1.4
125.02432	4.9
133.02948	1.8
135.04541	5.2
137.02443	2.3
148.01595	1.7
149.06067	1.6
151.00372	11.8
161.02429	5.8
161.04614	3.6
163.00418	3.2
163.04044	2.5
163.11270	6.1
166.06326	7.4
167.07066	1.5
169.01416	4.3
171.04692	1.5
173.04555	5.9
177.01987	1.7
178.99843	4.2
179.03484	5.0
181.01379	2.3
181.08727	9.8
191.05602	41.3
209.09741	20.5
211.04005	2.8
215.03601	1.8
225.07527	2.5
226.02690	5.0
227.03563	7.5
229.01489	2.4
243.02985	20.9
253.08704	9.6
254.02226	5.1
255.02956	23.6
256.17953	1.5
271.02457	83.9
272.02982	6.7
275.01932	2.3
300.02737	100.0
300.99924	10.9
301.03470	41.8
302.03885	2.6
313.03708	1.7
326.98087	2.0
343.13901	21.3
344.98309	1.9
353.08835	9.5
387.16580	10.2
433.14929	6.0
463.08832	1.8
503.25754	1.7
505.09888	91.7
505.19211	45.5
506.10147	10.3
506.19769	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	505.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.8
61.98800	0.5
67.09170	0.4
69.32595	3.5
73.33347	0.3
86.77895	0.5
109.19618	0.4
117.82639	0.4
121.02956	100.0
122.03287	2.0
151.00356	0.6
178.99860	0.5
181.06596	3.3
197.06042	2.5
206.77235	0.4
207.04500	0.8
223.04045	0.5
225.05550	2.0
229.64568	0.4
243.03166	0.5
255.03030	1.6
257.09607	0.8
271.02484	4.4
289.35031	0.4
300.02707	5.9
301.03580	2.4
313.07193	4.8
357.06192	0.8
383.07791	1.5
417.09799	10.6
417.15417	0.5
418.10202	1.0
437.93073	0.4
443.90726	0.4
461.12601	0.5
487.30893	0.6
504.34485	2.6
505.10999	10.7
505.31888	5.3
506.11151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0985
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
52.15122	0.4
63.02411	0.6
65.00323	1.3
69.49227	0.8
69.49635	1.9
83.01374	0.8
107.01380	2.5
108.02166	2.0
109.02953	1.6
121.02937	2.1
135.00864	0.7
142.69002	0.4
148.01659	1.9
148.21237	0.4
151.00368	10.4
151.01563	0.6
152.01155	0.4
159.04498	0.7
163.00395	2.4
163.01534	0.4
164.01144	0.9
171.04547	0.4
175.03992	0.5
178.99838	4.4
183.04597	0.5
187.03926	0.5
199.04008	1.4
201.05701	0.5
203.03590	0.6
211.04016	1.1
215.03467	1.0
226.02753	1.2
227.03532	3.8
229.05042	0.8
243.02956	11.5
243.05312	0.8
244.03232	0.7
245.04564	1.2
254.02119	2.6
255.02971	28.2
256.03372	1.6
265.54648	0.4
271.02463	61.3
272.02917	4.5
273.03900	1.2
283.02438	1.1
299.02032	1.3
300.02734	100.0
301.03464	41.8
302.03772	2.6
343.04654	0.6
463.08978	2.9
505.09857	60.2
506.10217	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	505.0987
Annotation	Quercetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.80338	0.4
59.01377	5.1
61.98829	1.7
63.02396	3.9
63.92123	0.4
65.00321	6.8
69.38558	2.5
69.38972	1.2
71.01384	2.0
71.64475	0.4
75.00874	1.5
78.15226	0.5
83.01384	4.7
84.77384	0.5
85.02957	1.7
87.00877	0.5
87.13119	0.4
89.02441	0.9
90.94309	0.4
93.03463	1.9
95.01385	0.5
99.00876	0.4
101.02451	1.5
107.01393	15.0
109.02964	1.1
111.00862	0.5
113.02444	0.8
117.03455	1.0
120.33268	0.5
121.02959	10.2
123.00875	0.6
123.04514	0.4
125.02443	1.1
129.01927	0.5
133.02946	1.2
134.03754	0.6
135.02991	1.3
135.04524	1.4
137.02467	1.1
145.02956	3.2
147.04524	0.6
149.02472	1.5
151.00365	53.3
152.00743	1.5
159.04549	0.5
161.02448	2.5
162.02803	0.5
162.31668	0.4
163.00453	0.9
163.04030	1.6
164.04863	0.4
165.01936	0.7
167.07211	0.4
167.97946	0.5
169.01401	2.4
174.14357	0.5
175.04015	1.4
177.04022	0.4
178.99860	22.0
179.03316	0.7
180.00282	0.5
182.05876	0.5
186.01949	0.5
187.03966	0.9
193.01419	1.1
193.04999	0.6
205.05087	0.6
207.02960	0.7
211.04004	0.9
226.02605	0.5
227.03453	1.6
229.05107	0.8
235.05989	0.5
243.02950	2.5
245.04417	1.0
255.03009	5.4
261.95038	0.5
271.02466	8.6
272.03027	0.8
273.04083	3.2
283.19196	0.5
297.04117	0.7
299.01913	1.2
300.02734	13.0
301.03516	100.0
302.03839	5.5
323.07697	0.5
375.80875	0.5
445.07535	1.1
445.24411	1.5
463.08469	0.6
463.25443	2.7
491.49533	0.5
505.09860	28.0
505.17270	1.2
505.26462	5.6
505.33871	0.8
506.10037	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48199	0.5
57.03448	14.4
59.01377	6.5
61.98835	1.7
69.03454	0.5
71.01377	3.5
71.05021	1.3
71.54046	0.7
72.99305	0.5
73.02940	1.2
75.00854	0.9
76.94563	0.5
81.03461	0.6
83.01367	0.6
85.02956	1.8
87.00854	0.7
89.02464	1.5
93.03512	0.7
97.02973	0.5
99.00910	0.7
99.04524	6.7
101.02440	5.0
109.06577	1.2
111.87139	0.5
112.24505	0.5
113.02488	1.5
119.05000	0.7
121.02984	1.2
123.04514	0.7
123.08233	0.5
125.02465	2.1
132.02255	0.7
133.02951	5.3
134.03787	0.6
135.03052	0.5
135.04538	4.0
137.02446	0.8
145.02919	2.5
149.06078	0.7
151.00352	0.6
160.01683	1.0
161.02441	16.0
161.04553	0.8
161.06099	0.5
162.02881	0.6
163.04086	1.2
164.04787	8.5
165.12848	1.0
169.01263	0.5
175.02528	0.5
175.04021	1.5
177.01993	0.6
177.05640	0.8
179.03561	2.5
179.07118	6.0
183.13779	0.9
205.08711	0.6
209.08055	0.7
220.97076	0.5
221.04593	1.1
227.12999	0.9
323.07767	5.0
329.13913	2.3
341.14011	1.3
401.16165	0.9
411.25067	0.5
421.31287	0.7
425.18628	0.7
425.26761	0.9
439.28467	1.0
441.19318	2.3
441.29883	8.0
442.30560	1.0
459.30872	3.2
485.28555	0.8
485.33194	0.5
503.14526	3.3
503.33981	100.0
504.34409	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	503.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22017	0.7
55.01862	2.4
57.03437	3.2
58.00587	1.8
59.01381	66.8
60.99294	3.0
61.00639	0.8
61.98823	1.9
69.03466	1.0
69.47789	2.0
69.48204	3.8
70.14416	0.7
71.01382	32.7
71.05021	18.1
71.50166	0.6
72.99303	2.0
73.02947	10.5
75.00867	0.9
83.01399	4.6
83.05022	2.3
85.02456	1.3
85.02951	18.2
85.06596	1.5
87.00871	3.1
87.04478	1.5
89.02444	6.2
93.03447	0.9
95.01392	2.1
97.02959	1.5
97.06565	1.7
99.00848	4.4
101.02441	19.7
103.04030	1.2
109.02949	1.1
111.00890	0.8
113.02454	12.3
115.04002	0.8
119.03506	1.8
125.02448	1.8
129.01933	0.8
131.03502	0.9
135.04546	1.1
137.02434	0.8
143.03459	2.4
145.02953	2.0
159.02972	2.6
161.02481	1.7
161.04561	14.8
163.06084	1.0
163.46642	0.8
165.12808	1.2
179.03380	0.8
183.13860	2.0
205.07079	1.2
205.15971	7.5
261.13397	0.7
286.66718	0.8
307.20493	1.0
315.18100	14.6
317.36179	0.8
321.22104	1.2
323.23657	1.3
335.23648	0.9
337.25366	2.5
339.26764	2.0
351.26932	1.8
355.26498	1.7
369.27994	2.9
371.21939	0.8
379.29849	2.6
391.26428	0.8
393.27969	1.4
407.29486	2.7
409.31198	2.9
413.26828	1.1
423.32742	23.7
424.32938	1.7
437.30774	2.7
439.32257	6.6
440.32535	1.1
441.33740	100.0
442.34045	7.7
455.31549	3.0
459.34854	1.6
461.23923	50.7
462.24158	4.5
473.32788	8.2
485.32758	45.9
486.33279	5.4
503.24295	6.4
503.34424	16.8
504.34018	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	504.0007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16500	0.5
59.01377	23.4
60.01717	1.7
60.13674	0.4
61.98829	100.0
69.27977	3.4
78.10395	0.5
108.66560	0.5
131.96039	0.5
134.47775	0.5
174.99228	4.1
175.99689	0.9
201.02576	3.3
202.02707	2.6
203.02309	3.3
203.99973	6.9
204.02821	0.9
217.00281	22.7
218.00621	7.3
219.00661	1.6
219.97734	51.5
220.99593	2.1
268.14130	0.6
359.01462	1.4
360.01553	6.8
361.01321	6.2
361.98660	21.4
362.99640	1.5
390.48697	0.5
392.88559	0.6
470.40512	0.6
474.41794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3379
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.14745	0.2
56.68110	0.2
57.03457	2.2
59.01382	1.1
64.98779	0.2
69.03455	0.3
69.21711	2.3
71.01378	0.5
71.05022	17.6
71.15038	0.2
72.05357	0.2
85.02941	0.2
89.02436	0.3
95.05039	0.2
96.47197	0.2
97.06615	0.2
98.20721	0.4
109.06589	0.4
133.02921	0.2
135.04520	0.5
161.02484	1.3
179.03461	0.7
198.89900	0.3
205.15935	2.2
221.04410	0.3
239.06113	0.2
251.05577	0.3
281.06781	0.7
337.25522	0.4
341.08698	0.3
349.25510	0.4
351.26913	5.1
352.27310	0.5
354.13892	0.2
355.26373	0.4
365.28543	0.9
367.26123	1.3
369.27991	10.3
370.28293	0.8
373.25427	0.2
379.30164	0.5
381.28436	0.2
383.29489	2.2
385.27591	0.3
387.28986	1.0
389.26944	8.2
390.27341	0.5
391.29871	0.2
397.31155	0.7
401.26965	4.2
402.27509	0.4
407.29544	0.7
413.27051	1.9
414.27325	0.3
421.31137	0.6
423.32574	1.1
427.28671	0.4
431.28070	0.6
439.32147	0.7
441.33917	0.9
455.31750	0.6
459.35254	0.6
467.31491	0.3
485.32956	2.0
503.33826	100.0
504.34189	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	503.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58328	0.8
60.99287	3.9
69.27552	7.8
69.27872	1.6
71.05022	7.0
83.05040	0.9
84.65376	0.8
97.00152	0.7
100.34626	0.9
130.50357	0.8
131.22623	0.9
164.82999	0.7
174.39883	0.8
189.64037	0.8
205.15944	2.6
337.25351	1.2
351.26855	1.2
355.26569	1.6
369.27991	3.3
379.30588	1.1
389.28036	1.8
407.29468	5.8
409.31064	2.0
423.32758	7.3
437.30859	1.3
439.32181	3.4
441.33731	25.0
442.33990	2.6
455.31683	1.6
457.33090	5.1
459.34888	1.4
473.32605	8.5
485.32715	8.7
503.33762	100.0
504.34177	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	503.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12611	0.7
51.12983	0.7
68.90348	0.6
71.06729	0.7
95.11336	0.7
136.90186	0.7
163.62155	0.7
166.49687	0.7
176.76138	0.7
366.43292	0.8
393.31903	0.8
401.28546	0.8
407.29648	1.6
409.31219	2.6
421.31049	3.9
425.30429	1.0
441.33679	7.4
442.34082	1.2
453.29791	1.8
457.33148	3.6
473.32611	2.6
485.32776	5.2
503.33774	100.0
504.34177	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	503.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38204	2.6
69.38628	1.4
71.04991	0.9
96.17517	0.4
109.80663	0.5
204.06686	0.5
242.31906	0.6
256.80981	0.6
393.31842	0.9
406.04443	0.5
419.29663	1.1
421.31082	11.0
422.31577	1.6
439.32175	2.5
441.33655	1.4
443.31665	1.7
459.34839	1.1
485.32672	12.6
486.33035	1.5
503.33762	100.0
504.34128	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	503.3376
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.06156	0.4
59.01376	0.7
60.99318	2.9
70.37547	1.4
70.37945	1.0
71.05016	7.8
84.09621	0.5
102.55357	0.5
113.85130	0.5
116.70550	0.5
205.15811	0.9
226.80252	0.5
228.95889	0.5
351.26926	1.7
369.28006	1.0
401.26880	0.7
421.31058	1.0
423.32697	1.3
441.33713	2.7
443.31784	0.6
459.34833	2.8
485.32745	1.0
503.33789	100.0
504.34134	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	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
66.04413	0.3
70.32674	0.3
71.01978	0.5
71.02328	0.6
71.05018	2.2
72.99300	0.7
83.05021	0.6
102.60941	0.3
105.91644	0.3
109.10964	0.3
124.42856	0.3
125.09742	0.7
148.17992	0.3
148.54863	0.4
157.12212	0.4
182.50951	0.3
277.21701	1.5
278.22089	3.6
305.34137	0.3
333.32742	0.4
369.31836	0.3
397.31149	1.2
413.34299	2.9
423.32574	0.5
441.33838	1.1
457.33218	9.7
458.33963	1.0
459.34821	1.9
469.33026	1.1
485.32642	2.5
503.33774	100.0
504.34064	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	503.3375
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
59.01371	1.9
61.36468	0.7
61.98827	16.0
69.22663	7.0
74.65471	0.6
98.19850	1.1
103.95862	0.7
122.36331	0.6
130.03894	0.7
153.46556	0.7
205.16051	0.7
320.77109	0.8
397.31229	2.4
441.33865	1.1
457.33353	2.2
459.34796	31.6
460.35123	3.0
466.31955	0.7
485.32672	11.6
486.33282	1.4
503.33801	100.0
504.34192	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28345	0.9
55.01872	2.7
57.03439	3.4
57.74421	0.9
58.00603	0.8
59.01381	100.0
60.99308	1.6
61.98829	1.3
67.80708	0.8
69.03460	1.2
69.30386	1.8
69.30780	7.3
71.01381	47.8
71.05022	6.6
72.99306	2.9
73.02945	17.3
75.00865	1.5
81.03459	1.0
83.01381	8.1
85.02954	26.2
86.68996	0.8
87.00878	5.3
87.04507	1.3
89.02442	10.0
93.03470	1.6
95.01379	3.9
97.02933	1.1
97.06641	1.3
98.19909	1.2
99.00873	8.1
99.04513	1.1
100.85770	0.9
101.02439	33.4
103.03999	2.0
113.01715	1.5
113.02450	19.0
115.03947	1.4
119.03489	2.8
125.02430	2.7
131.03523	1.5
133.03020	1.0
135.04474	1.0
137.02530	1.0
143.03531	4.6
145.02950	1.3
145.05032	1.0
159.02954	4.6
161.02454	2.0
161.04559	19.3
183.13968	1.3
195.64839	0.9
205.15927	3.7
227.12842	1.2
251.31012	0.9
297.17068	1.2
315.18127	27.8
316.18481	2.0
327.21506	1.0
337.25592	1.6
351.26825	1.1
355.26331	0.9
357.18985	1.4
369.27734	1.1
406.88879	1.0
407.28983	0.9
409.31216	1.9
421.30942	1.0
423.27716	0.9
423.32846	10.5
439.32181	4.7
441.33755	49.5
442.34091	4.9
455.31638	2.4
461.23914	84.2
462.24329	5.2
473.32660	4.2
485.32770	20.6
486.32880	2.6
503.24899	11.7
503.33466	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	503.3379
Annotation	11alpha-hydroxyasiatic acid
Peak:m/z	Relative Intensity
55.82246	0.8
59.01375	3.4
69.40337	7.2
70.83111	0.9
97.06612	1.2
104.04051	0.9
119.99149	0.8
128.88550	0.8
213.84868	0.9
270.98337	1.0
387.30685	3.6
389.28485	4.2
405.32028	1.2
406.28830	3.1
407.29242	1.0
407.40921	0.9
409.31348	1.2
421.31345	2.0
423.32584	11.8
424.33121	1.3
425.30875	3.8
439.32922	1.4
441.34219	8.0
443.31558	1.5
455.31604	2.1
457.33261	2.9
459.35461	1.8
467.31549	1.9
469.33185	100.0
470.33636	11.0
485.32904	6.6
503.33875	53.7
504.34204	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	503.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53113	1.9
57.03461	2.6
59.01379	100.0
61.98828	3.4
63.80251	1.7
65.92360	1.5
69.26892	11.6
69.27312	3.9
71.01380	8.2
71.05013	2.0
72.99309	2.7
73.02946	2.4
75.00874	28.6
80.39252	1.5
85.02959	1.7
87.00928	2.0
89.02455	7.9
93.03461	2.0
101.02464	2.3
109.02980	2.1
114.85855	1.6
117.01966	2.9
119.05021	2.1
121.02931	1.7
123.04486	2.0
132.02144	2.7
133.02971	9.7
134.03709	3.4
135.03001	96.0
135.04477	8.9
136.03296	1.6
137.02451	2.8
145.02954	2.5
145.10291	1.7
147.04507	2.2
160.01622	10.6
161.02448	27.8
161.04691	2.1
161.09683	2.6
163.04060	2.0
165.01891	2.0
165.05557	10.1
169.01379	3.8
175.03966	15.6
177.02020	2.6
177.05606	4.6
179.03534	14.2
193.05058	3.6
205.12386	4.3
216.85800	1.8
221.04651	5.7
223.13400	45.9
224.13693	3.3
249.11412	2.8
251.05713	5.1
267.12390	25.2
281.06628	9.8
281.17746	2.8
337.09299	8.7
341.09390	2.9
367.13989	3.8
385.15015	55.6
385.19778	3.0
465.12213	2.6
485.16769	2.3
503.17560	66.8
503.33554	5.5
504.17795	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1561
Annotation	Dracunculifoside K
Peak:m/z	Relative Intensity
50.10377	0.4
59.01382	2.4
65.58931	0.3
69.22813	1.8
69.23238	1.9
71.01394	1.9
73.02972	1.0
75.00862	0.8
76.10223	0.4
77.03960	0.4
83.01404	0.5
85.02952	1.0
101.02451	0.7
105.03467	1.0
107.05017	0.5
109.02921	0.6
113.02422	0.6
113.90172	0.3
115.01945	0.4
117.03447	1.2
121.03042	0.4
132.02148	1.6
133.02950	36.3
134.03815	2.2
135.03041	2.3
135.04521	28.9
135.59738	0.4
136.04778	0.6
137.01466	0.4
137.02435	1.2
145.02957	1.2
146.03732	18.8
147.00847	0.3
147.04408	1.2
149.06076	1.7
151.38000	0.4
159.04480	0.7
160.01643	0.6
161.02435	100.0
161.06026	5.6
162.02773	2.9
163.04019	0.6
164.04784	12.0
165.05511	0.9
175.03993	1.4
177.01886	0.8
177.04538	0.3
177.05594	2.9
178.02666	0.9
179.03496	18.6
179.07108	11.8
180.07376	0.4
199.09506	0.4
203.03484	1.7
220.03714	0.5
221.04546	5.0
223.09746	0.6
223.13351	1.0
251.05611	0.6
263.05579	1.3
272.40298	0.5
280.05847	0.5
307.08426	0.4
323.07687	47.4
324.08008	2.7
385.15082	0.6
411.81955	0.4
459.12769	0.6
503.15536	54.5
504.15891	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	503.1559
Annotation	Dracunculifoside K
Peak:m/z	Relative Intensity
57.03434	1.3
59.01377	29.2
61.98815	1.4
69.37344	6.9
71.01373	7.2
72.99302	1.3
73.02932	2.0
73.89357	1.2
75.00876	6.6
75.01242	1.0
82.85651	1.3
85.02966	2.0
89.02465	5.0
93.03410	1.4
101.02438	3.2
107.04971	2.1
109.02934	2.7
113.02506	1.5
117.03478	11.3
119.05001	6.3
121.02952	2.1
123.04511	1.2
125.06104	1.4
133.02956	20.7
134.03752	5.6
135.02985	29.0
135.04518	96.2
136.04933	1.9
137.02432	4.8
139.03976	1.0
145.02951	41.4
146.03267	1.4
147.04506	2.5
148.05266	5.0
149.06058	15.2
161.02437	82.8
161.09659	1.0
162.02853	3.3
163.03993	6.3
164.04759	2.2
175.04028	2.4
176.04845	1.0
177.05559	32.9
178.02696	1.5
178.05923	1.6
179.03487	100.0
180.03853	3.4
189.05464	1.1
195.06606	8.5
203.03468	3.3
221.04533	47.2
222.04802	1.2
223.06073	3.9
223.13362	9.8
227.42735	1.0
244.57475	1.4
251.05597	50.5
252.05952	2.6
257.57654	1.0
260.12387	1.0
267.12335	4.4
281.06638	84.3
282.07092	3.3
285.03986	3.2
307.08231	13.5
311.07605	1.3
323.07620	6.4
340.46716	1.2
341.08731	30.8
342.09042	1.1
385.14929	8.7
503.16440	19.7
503.33710	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52932	0.6
57.03450	0.9
59.01376	5.2
66.90643	0.6
69.34357	4.4
71.01382	3.2
73.02953	0.6
75.00872	4.2
85.02943	2.9
87.00883	1.9
89.02427	2.4
98.19811	1.2
99.00878	0.7
101.02431	1.1
109.02931	0.8
113.02428	0.8
117.03493	1.0
119.03630	0.6
119.05015	6.6
125.02470	1.0
129.01900	1.5
132.02173	2.2
133.02960	19.3
134.03757	2.2
135.04521	26.1
136.04776	0.5
137.02443	0.9
145.02985	2.0
145.77646	0.6
147.87025	0.5
149.02443	0.8
149.06075	1.9
160.01703	3.6
161.02438	100.0
162.02817	3.1
163.04030	4.3
166.52330	0.7
170.03374	0.5
175.03978	1.3
177.04021	7.5
177.05547	2.6
179.03493	45.3
180.03839	1.1
193.05078	1.7
203.03484	2.7
205.05009	0.8
208.03760	0.7
221.04517	3.6
223.06096	1.2
241.05040	1.8
251.05643	1.8
281.06754	1.5
285.04138	4.8
297.95441	0.6
323.07678	10.8
324.07941	0.9
325.29907	0.7
329.08850	1.4
341.08725	55.0
342.09070	2.0
365.08701	0.7
413.10928	0.7
443.11963	1.2
465.10745	0.9
467.11734	1.6
503.14066	34.3
504.14450	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55394	1.1
56.90798	1.1
57.03428	1.5
59.01383	15.3
61.98845	2.9
65.27661	1.1
69.41879	5.3
69.42310	3.2
71.01376	12.3
71.05039	1.4
72.99280	3.0
73.02940	3.2
74.73426	1.1
75.00872	91.7
81.03440	2.0
82.50902	1.2
83.01385	2.5
85.02950	7.5
87.00869	7.5
89.02435	8.1
93.03466	1.8
96.96007	1.3
99.01015	1.2
99.04536	1.7
101.02434	7.2
113.02445	4.8
117.01964	1.4
117.03464	1.2
119.00308	1.1
119.03533	2.3
119.05026	1.3
121.02979	2.1
125.02455	2.7
127.96684	1.3
133.02933	8.1
134.03735	3.0
135.02985	4.5
135.04504	18.2
137.02449	3.0
143.03490	2.0
145.02892	1.4
145.05077	1.9
147.04524	1.6
149.02448	20.4
149.06064	3.6
151.04028	2.7
152.01160	5.6
155.74182	1.2
161.02441	30.7
161.04471	7.6
163.03998	4.5
164.04762	18.4
165.01929	1.2
167.03452	2.0
169.05054	1.5
175.03969	2.1
177.05591	3.6
179.03482	15.4
179.05113	1.4
179.05696	1.8
179.07079	5.9
181.04956	1.2
191.01987	2.2
191.05666	1.7
193.01382	10.9
193.04984	1.7
208.01730	1.2
208.03752	30.6
221.04530	5.0
223.06102	79.3
224.06433	3.3
251.05727	1.7
281.06747	4.2
305.08731	2.8
323.09653	4.6
323.20737	1.3
327.09262	1.6
341.10928	100.0
342.11276	6.1
385.11481	14.0
467.12054	1.8
485.12695	7.3
503.14035	88.6
504.14709	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	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.2
70.31659	0.7
70.31985	2.3
71.01389	5.0
73.02953	1.0
75.00870	0.9
79.30177	0.7
85.02953	1.9
87.00842	0.6
88.77262	0.6
89.02438	3.5
96.05027	0.6
99.09521	0.6
101.02441	2.3
108.02174	1.1
109.02973	0.7
113.02458	2.0
117.03468	1.1
119.03530	0.8
132.02170	1.2
133.02954	27.4
134.03714	2.7
135.04529	33.9
136.04840	1.2
137.02449	1.1
149.06046	3.5
152.01137	1.4
161.02437	100.0
162.02795	2.9
177.05563	7.1
178.02711	1.7
179.03502	33.1
180.03781	1.6
189.05562	0.8
193.05016	3.3
203.03490	1.7
221.04538	10.1
226.87625	0.6
233.04463	0.8
251.05595	8.8
281.06656	12.9
282.06857	1.0
322.44672	0.7
323.07700	9.9
341.08673	10.8
342.08951	0.7
459.11353	1.4
503.14044	73.0
504.14499	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1195
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.54191	1.0
59.01371	5.0
69.43159	6.0
69.43571	2.7
71.01374	2.0
89.02453	1.1
98.19864	1.9
104.63446	1.2
109.02956	1.0
125.02418	4.0
132.02161	1.7
133.02959	34.7
134.03712	1.3
135.03017	1.9
135.04518	39.5
137.02415	1.8
141.48773	1.2
146.03671	1.3
149.06110	5.4
154.04237	1.0
161.02434	100.0
162.02728	3.0
168.00623	2.8
177.05568	11.7
178.19131	1.2
179.03488	52.5
180.03807	1.7
203.03360	2.3
221.04527	22.9
223.13416	1.4
238.59657	1.0
251.05594	25.3
252.05844	1.9
281.06625	33.6
282.07056	1.8
304.75455	1.0
305.06668	1.3
323.07654	9.1
341.08743	43.2
342.09024	1.3
503.11713	19.0
504.13062	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	503.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	1.3
59.01374	11.5
69.03425	1.8
69.18946	8.5
71.01368	3.8
72.99294	0.9
73.02978	0.9
75.00858	6.1
76.08849	0.9
80.94157	0.9
83.01367	1.5
84.32236	0.8
85.02890	1.0
85.06564	2.0
85.56010	0.8
89.02450	2.9
101.02439	1.4
105.03423	0.9
107.01329	1.2
109.02924	1.6
113.02393	1.2
113.06016	0.9
116.23067	0.8
123.00844	3.1
124.01678	9.6
125.02454	27.1
132.02113	1.9
133.01933	1.8
133.02951	36.1
134.03667	3.1
135.02042	1.5
135.02946	24.2
135.04475	46.4
136.04779	1.5
137.02400	2.6
139.03964	1.0
141.21007	0.8
148.05252	1.2
149.06070	5.6
149.98558	1.1
149.99602	14.6
151.00340	1.0
161.02438	100.0
162.02711	4.4
165.01671	0.9
168.00630	25.3
169.01285	1.6
177.05544	11.9
179.03497	63.2
180.03822	2.2
187.98067	0.9
203.03432	2.6
221.04552	21.9
222.04811	1.2
223.13354	5.4
251.05605	28.9
252.05756	1.3
252.64859	0.9
267.12238	1.8
281.06650	36.0
282.07013	1.9
313.05634	2.5
323.07645	11.2
331.06689	2.1
341.08743	43.4
342.08795	1.7
352.16681	0.9
385.14981	4.2
397.26291	1.0
421.49091	1.0
485.11371	1.1
503.13193	46.6
504.13937	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	501.3586
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
59.01377	4.5
69.93819	3.6
74.13686	0.6
93.63022	0.7
98.20592	0.6
140.82448	0.5
180.83192	0.7
334.08551	0.6
355.26511	3.8
366.36963	0.6
439.32202	0.9
457.33139	1.7
469.33078	4.5
501.35913	100.0
502.36194	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	501.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.18117	11.2
69.18548	7.5
93.02819	1.7
340.66583	1.9
380.65265	1.9
491.48892	2.1
501.32785	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	501.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
68.22737	1.2
69.93173	2.6
69.93589	4.4
112.85653	1.4
152.99577	1.5
153.20610	1.4
215.21356	1.5
489.86865	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	501.3588
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
52.35640	2.8
53.67366	2.5
59.01380	100.0
61.64509	3.3
61.98812	3.1
75.35111	3.0
76.87691	2.7
99.03902	2.7
116.50301	2.9
194.93695	3.1
457.33270	3.0
501.35281	32.8
502.36047	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	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.4
60.85831	1.0
61.98830	100.0
69.94222	5.0
83.51382	1.1
158.61757	1.0
164.77409	1.1
272.85788	1.3
460.11389	1.3
502.32898	6.4
524.37585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20121	0.6
54.62630	0.6
57.55173	0.7
58.00431	0.6
59.01369	3.0
61.98829	100.0
68.86014	0.6
76.45949	0.7
149.49466	0.7
229.06635	0.7
229.39227	0.7
326.63684	0.7
333.69760	0.8
448.92938	0.9
458.33963	0.8
476.33417	0.7
502.32864	2.2
503.33450	1.3
515.78235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.46146	6.5
85.61872	0.9
137.21025	1.1
162.80214	0.9
174.35451	0.9
178.21936	0.9
217.77585	1.0
225.13010	1.0
459.34583	4.3
485.32559	4.3
502.32501	3.4
503.33789	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	502.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30867	0.1
55.01884	0.1
59.01377	1.1
59.69903	0.1
59.98500	0.1
62.96398	0.2
69.35746	0.5
71.01388	0.2
71.05018	0.2
78.95902	24.8
83.05026	0.3
94.69003	0.1
96.96971	0.3
97.06580	0.1
122.98524	0.3
127.07661	0.3
134.98506	0.2
141.09190	0.1
152.99579	2.9
164.58405	0.1
168.04297	3.7
194.05867	0.2
205.19644	0.1
224.06918	11.2
225.07242	0.1
232.85043	0.1
233.15712	0.1
233.22772	0.3
242.07980	2.8
243.08330	0.1
259.20605	0.5
275.20068	0.5
277.21701	100.0
278.22034	6.1
288.82709	0.1
356.43536	0.1
374.27527	0.1
413.20734	0.2
423.32480	0.2
440.32413	0.1
456.32123	0.1
458.33502	0.3
469.33060	0.2
470.33432	0.2
484.31439	0.1
502.29184	24.6
503.28937	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	501.3221
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
51.09502	0.5
53.80874	0.7
55.08564	0.6
57.03433	0.6
60.99576	0.6
69.26345	0.5
70.28377	2.2
71.05020	2.2
83.05011	0.7
98.20637	0.8
136.58597	0.7
217.03406	0.7
291.05246	0.6
309.43378	0.6
369.25610	0.7
377.28583	1.1
386.26096	0.7
387.26825	1.2
391.30051	0.9
393.31619	2.5
401.28455	2.2
403.29980	2.2
405.28189	0.7
407.29260	1.3
409.31161	1.5
417.28171	1.1
419.29315	1.6
421.31125	8.3
422.31152	1.0
423.28790	0.8
424.68039	0.7
437.30823	1.3
439.32190	4.9
455.31683	2.2
457.33658	1.0
465.29999	1.8
483.31226	2.6
501.32211	100.0
502.32626	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	501.322
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
57.03437	1.2
60.99305	0.5
62.77092	0.5
66.62083	0.4
67.27552	0.5
69.28191	2.8
69.28618	1.7
71.05005	1.7
73.02941	1.4
83.05022	0.9
85.17848	0.5
85.69353	0.5
91.13416	0.4
91.74454	0.6
117.81801	0.6
138.57465	0.5
154.57361	0.5
155.17226	0.4
196.87639	0.4
291.21213	0.7
363.26825	0.9
377.28751	0.6
379.30115	0.9
387.27145	1.2
391.30264	0.8
393.31546	1.9
401.28424	3.2
403.29861	1.4
407.29636	0.7
409.31064	1.8
417.28006	1.3
419.29593	1.2
421.31110	8.8
422.31494	0.8
435.28818	0.7
437.30405	1.5
439.32263	2.3
453.30292	1.2
455.31735	4.5
457.33316	0.7
471.31113	2.8
501.32211	100.0
502.32596	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	501.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64981	0.5
66.14256	0.5
73.09460	0.6
85.67632	0.5
96.96045	0.6
107.80202	0.5
133.06526	0.5
147.08148	0.9
149.09720	24.9
150.10002	0.7
163.11285	100.0
164.11620	2.3
196.45851	0.5
196.69305	0.5
226.07426	0.5
229.14549	0.5
325.21719	27.6
326.22037	2.2
337.21747	11.3
338.22131	1.3
501.33740	95.7
502.34042	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	501.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.3
59.01369	1.3
71.05032	0.7
71.29534	0.5
71.29898	0.6
71.47874	0.4
73.02989	0.6
90.02286	0.5
97.06587	1.6
105.04223	0.5
108.53947	0.5
217.04520	0.5
277.21756	1.8
290.52228	0.5
304.27780	0.6
372.25049	0.4
381.27753	0.6
387.30734	0.6
389.28677	3.0
390.28693	0.6
393.31754	0.6
406.28720	5.0
407.29553	1.4
421.31287	3.5
423.32693	9.4
424.32965	1.3
439.32126	1.5
455.31683	0.5
457.33304	1.8
469.33200	100.0
470.33560	9.7
483.31256	1.5
501.31717	22.5
502.32062	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	501.3584
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
59.01376	7.4
63.61464	0.4
67.55688	0.4
69.30739	0.4
69.31057	3.9
75.11936	0.4
138.16402	0.4
167.56053	0.4
332.83301	0.5
469.33301	1.8
501.35904	100.0
502.30197	0.5
502.36243	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	501.3222
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
54.75732	0.4
58.60257	0.3
59.01372	0.5
62.46523	0.4
69.80218	0.7
69.80625	1.3
71.05026	3.5
78.28571	0.3
80.91702	0.4
83.05023	0.8
87.44889	0.3
94.48318	0.4
109.06569	1.6
157.61842	0.3
164.50552	0.4
167.63503	0.4
207.43103	0.4
239.33821	0.4
267.19629	0.6
341.24808	1.2
351.73807	0.5
353.21048	0.6
353.24933	0.7
357.24310	0.4
359.25949	5.0
371.25797	4.2
373.28186	0.7
375.59866	0.4
383.25986	0.8
389.28909	1.0
391.29938	0.7
395.29462	0.4
405.28134	0.5
407.29422	1.7
421.31589	0.8
423.28885	0.8
439.32016	3.0
441.30017	1.8
453.29999	1.4
457.33215	8.0
458.33307	0.7
471.31122	0.7
483.31281	3.8
501.32211	100.0
502.32587	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	501.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
58.80904	0.4
59.01365	0.9
69.74197	2.8
71.05022	2.3
82.51504	0.6
83.05041	1.1
98.10632	0.4
98.19963	0.6
153.17003	0.4
179.20244	0.5
235.11128	0.5
235.23105	0.5
323.23746	0.5
367.26242	0.9
376.01727	0.5
385.27472	0.9
387.24789	0.7
387.29034	1.7
405.28366	0.7
409.31656	0.6
419.29596	0.5
421.31256	3.9
423.29184	1.3
437.30539	6.1
439.32199	26.3
439.38266	1.3
440.32455	2.3
441.30350	0.5
453.29938	0.9
455.31812	3.0
455.89417	0.6
457.33484	4.2
471.31406	0.6
483.31125	10.5
484.31323	0.6
501.32230	100.0
502.32501	8.7
520.59363	0.5
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
55.01859	0.6
57.20806	0.4
59.01377	4.9
61.98824	0.6
67.01885	1.0
69.03435	0.3
69.65611	0.7
69.66023	1.7
71.01380	3.9
72.99290	0.8
73.02936	0.5
79.01875	1.4
83.01385	0.9
85.02949	2.3
86.88577	0.4
87.00878	0.4
89.02441	1.9
95.01420	2.0
97.02941	0.6
99.00858	0.6
101.02445	3.3
107.01384	4.3
109.02970	0.5
109.07613	0.3
111.00886	1.8
113.02440	1.4
117.03430	0.4
117.37678	0.4
119.03480	0.6
119.04980	0.3
123.00885	12.6
124.01671	1.3
125.02449	17.2
126.02749	0.4
127.00370	0.6
136.98824	1.2
139.00366	4.8
140.01176	2.8
141.01924	1.2
145.02931	1.9
151.00366	11.4
152.00609	0.4
153.01912	0.8
163.04016	0.8
168.00607	2.6
169.01430	25.4
170.01735	0.6
187.13411	0.6
191.05672	1.2
211.02422	3.4
253.03546	0.5
271.04630	4.5
272.04947	0.4
302.23236	0.3
313.05771	2.4
333.02542	0.6
430.54395	0.4
501.19809	100.0
502.20190	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	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98840	3.2
65.66148	0.7
71.01392	3.6
71.05038	1.6
73.02966	1.3
85.02991	1.1
89.02475	1.9
91.02024	0.7
98.20615	1.6
99.03487	0.9
100.93306	0.7
101.02437	1.5
106.45801	0.7
113.02468	1.7
116.92851	6.3
210.82457	0.8
234.01118	0.8
265.04800	0.8
309.77646	0.9
365.78799	0.9
367.90875	0.9
405.28186	1.0
421.31332	1.6
439.32248	4.6
453.30212	1.3
457.33185	1.4
457.73312	0.8
471.31381	1.1
498.43848	0.8
501.32413	81.0
502.32880	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	501.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72486	0.5
59.01378	3.2
61.98833	4.1
69.22885	5.4
71.01387	2.3
81.10683	0.5
85.02972	1.3
93.03457	1.0
101.02438	1.6
107.39555	0.5
113.02467	1.1
117.03477	2.2
119.05026	100.0
120.05368	2.5
121.02970	1.3
123.04511	0.8
125.02470	0.7
132.02158	4.8
133.02953	9.9
134.03783	5.7
135.02980	1.3
135.04532	6.1
137.02446	1.0
145.02916	5.1
149.06091	1.1
160.01657	21.2
161.02443	26.3
162.03076	0.6
163.04007	46.7
164.04335	1.6
175.03998	24.1
175.05528	0.9
176.04395	1.4
177.01973	0.6
177.05571	9.7
179.03470	4.4
179.10631	0.8
183.13766	0.7
193.05092	4.8
206.66286	0.5
217.04951	1.2
221.04584	2.6
235.06120	0.6
243.34238	0.5
265.07248	1.0
323.07715	23.7
324.07733	0.8
337.09262	21.7
338.09384	1.3
383.13596	0.8
501.13922	18.2
501.32022	1.2
502.14340	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	501.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31316	0.5
57.03436	1.1
59.01377	27.9
61.98833	3.1
64.02998	0.5
69.03464	0.7
71.01379	3.3
71.05006	1.7
73.02927	1.3
85.02958	1.1
87.28882	0.6
89.02447	2.2
97.06612	0.6
99.00878	1.6
99.92587	12.8
100.93362	1.3
101.02429	2.2
113.02446	2.1
115.92070	21.0
116.92857	100.0
117.92865	2.1
119.03557	0.8
125.02485	0.8
129.01959	0.7
141.93694	0.7
145.02960	0.7
158.93901	0.7
161.04613	0.9
165.12865	3.1
169.01488	0.7
183.13916	3.2
184.91820	1.3
196.95544	0.6
227.12837	4.2
286.23071	0.6
291.11038	0.9
303.19678	1.0
329.16058	1.1
379.08810	0.7
389.27426	0.7
397.09576	2.7
415.10858	2.8
421.31390	1.0
427.10916	0.9
439.10760	1.0
439.32361	2.5
455.32056	0.7
457.11713	4.1
457.33713	1.9
465.09149	1.8
471.31616	0.8
473.32166	0.6
483.31659	1.2
500.31149	0.7
501.10782	11.4
501.32449	28.3
502.11111	1.1
502.33023	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	501.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.1
61.98818	1.5
69.03433	0.3
71.01384	1.0
71.53457	0.6
72.99294	0.7
85.02950	0.7
87.00880	0.6
95.01370	0.5
95.05274	0.3
97.06692	0.3
99.00910	0.4
99.92587	12.0
100.90413	0.4
100.92678	0.3
100.93372	1.5
103.00388	0.8
109.29485	0.3
111.00885	1.5
113.02460	0.8
114.93426	0.4
115.92079	22.1
116.92860	100.0
117.92877	3.2
119.03465	0.6
122.10696	0.3
128.76088	0.4
135.04518	0.4
140.87468	0.3
141.93636	0.9
142.94400	0.9
145.02966	0.5
151.00079	0.3
152.28093	0.3
156.92345	0.4
157.17802	0.4
158.93922	0.4
174.93422	0.6
184.91827	1.3
362.96667	0.6
379.08682	0.9
397.09677	3.2
398.09921	0.4
415.10828	2.9
416.10803	0.5
427.10498	0.5
427.31842	0.5
439.10635	1.3
453.30222	0.7
457.11740	3.7
457.33173	0.5
458.11984	0.6
465.08517	1.0
501.10718	10.4
501.22269	0.4
501.32480	5.1
502.10873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56496	0.8
59.01363	2.7
61.98829	3.8
71.01379	1.9
71.05037	0.9
73.02912	0.8
75.00860	3.0
75.66168	0.7
93.03429	1.0
101.02449	0.8
110.03327	0.7
117.03475	1.9
119.05025	100.0
120.05370	2.8
123.00899	0.9
125.02473	3.3
132.02167	7.5
133.02968	2.0
134.03749	8.4
135.02997	7.9
135.03979	0.8
135.04507	1.8
137.02425	1.4
145.02962	4.8
149.06133	0.9
151.00264	1.4
160.01656	30.5
161.02444	4.8
162.03253	1.4
163.04002	83.6
164.04337	2.8
169.01451	3.3
169.02730	0.7
175.03984	30.0
177.01857	3.4
177.05574	2.5
178.02739	2.3
179.03522	1.6
193.05042	10.8
198.75026	0.8
211.02478	1.0
221.11813	1.2
266.08875	0.6
294.19263	0.9
307.08331	3.0
323.07700	5.0
337.09280	26.1
338.09491	1.3
388.63446	0.7
437.69827	0.9
501.13388	14.0
501.19803	6.0
502.14706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78058	0.4
59.01371	2.6
65.83934	0.4
69.36394	3.0
69.36787	0.8
71.01388	1.4
73.02946	0.5
73.73112	0.4
83.01388	0.5
85.02943	0.8
89.02430	0.8
89.13418	0.4
93.03416	0.5
99.00884	0.5
101.02436	0.8
113.02434	0.7
114.55386	0.5
117.03462	24.8
118.03797	0.7
119.05025	14.9
121.02966	0.7
123.04491	0.4
132.02164	12.5
133.02895	0.8
133.06569	2.6
134.03731	12.9
135.04500	0.7
145.02948	100.0
146.03267	3.4
147.04488	0.9
149.06058	2.0
159.04549	0.9
160.01651	52.0
161.02446	2.7
161.06055	5.6
163.04004	16.3
175.03992	62.4
176.04471	3.5
177.05560	2.0
178.02696	1.7
179.03439	0.6
187.03964	4.8
191.07152	2.3
193.05045	17.8
202.02774	0.8
205.05019	3.7
217.05060	5.6
230.33430	0.4
235.06107	6.9
247.05907	0.8
259.05859	0.5
265.07123	9.2
295.08170	2.4
307.08197	24.1
308.08569	1.3
323.07574	1.1
325.09213	1.7
326.76361	0.6
337.09198	9.1
355.10611	0.6
435.82825	0.5
441.11932	1.1
501.13950	8.9
501.31866	0.8
502.14017	0.6
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	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
58.76455	0.5
59.01367	1.1
69.18828	6.5
71.05019	9.0
82.06833	0.6
82.30001	0.6
85.06595	1.0
97.06615	0.8
99.43802	0.7
194.74361	0.6
195.53496	0.6
208.74663	0.6
219.13850	1.0
237.14996	0.8
279.21259	0.8
377.28610	4.1
378.28873	0.8
393.31772	1.6
395.29349	0.8
407.29916	0.8
409.31296	0.9
425.30927	2.2
437.30606	23.6
438.31100	2.2
455.25552	1.4
455.31662	20.0
455.96356	0.7
456.32248	0.8
469.29431	0.7
481.29575	15.9
482.30014	2.0
499.30661	100.0
500.30930	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	500.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
61.98830	100.0
69.25175	2.7
71.05017	0.3
74.62696	0.3
160.82253	0.3
174.65421	0.3
339.07327	0.3
427.32556	0.3
483.31366	0.5
501.32440	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	500.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01077	0.5
59.01381	16.9
61.98832	100.0
62.95754	0.5
66.91920	0.5
69.35239	3.1
71.01386	0.6
71.05007	0.6
73.02961	0.5
84.16279	0.4
101.02463	0.6
122.29061	0.5
161.02483	0.4
178.60220	0.5
186.55580	0.5
309.76859	0.5
329.28036	0.5
387.25287	0.6
427.32217	0.6
439.32254	1.8
453.67307	0.5
455.31696	0.6
456.32104	2.1
457.33499	0.5
491.89841	0.4
500.30978	1.1
501.32422	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	501.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	75.1
69.35467	4.6
73.31872	0.5
90.97149	1.1
98.19801	0.8
131.78786	0.6
132.98196	1.1
148.22215	0.6
157.03529	3.2
162.16589	0.6
174.99246	21.7
201.02553	33.3
202.02702	1.6
217.00293	100.0
218.00618	1.7
261.00558	0.7
283.66672	0.6
343.03741	2.5
359.01465	61.4
360.01752	4.0
411.36853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
59.01368	8.0
59.46548	1.5
61.98829	2.5
69.32568	13.5
71.01374	4.5
83.01398	2.2
85.02948	3.8
89.02448	3.4
93.03446	4.9
99.04535	1.8
109.02943	6.1
119.03484	1.9
119.05027	2.4
121.02911	3.0
125.01630	2.8
125.02457	24.9
133.02914	2.8
135.02992	3.5
135.04512	5.3
137.02449	10.9
138.03194	4.9
149.02461	20.7
161.02414	7.1
163.03963	2.0
164.01115	5.7
165.01944	8.6
166.02705	24.2
167.03546	10.7
168.00572	1.7
173.04614	2.8
174.03165	4.4
175.04005	15.6
176.01219	2.7
179.03464	7.1
191.05614	25.7
192.00632	4.8
193.01357	4.6
198.03281	2.3
199.03993	15.4
201.01944	2.9
213.05586	3.6
213.14261	1.7
217.05037	15.8
241.05067	33.0
243.02895	6.1
285.04047	100.0
286.04547	7.8
301.00006	2.4
327.08664	5.8
329.08810	26.3
339.07153	10.7
355.06616	6.8
383.09625	2.3
400.72519	1.8
465.10373	35.0
466.10248	3.1
501.12830	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14559	2.8
54.03930	3.2
59.01378	30.2
61.60359	3.5
66.84368	2.7
67.01881	7.1
67.97000	3.6
68.99812	4.3
70.57773	3.7
71.01377	25.7
71.05003	3.8
73.02953	4.6
75.50412	2.9
83.01396	4.7
83.05008	4.2
85.02946	12.7
86.02484	5.0
87.00896	27.1
88.98803	3.7
89.02422	12.3
93.03457	46.5
95.01353	6.6
99.00856	10.1
99.04478	3.3
101.02445	9.4
108.04543	4.2
109.02966	4.1
109.17334	2.9
111.00828	4.5
111.04533	5.9
113.02412	11.3
113.99561	8.7
119.03487	5.2
119.05019	25.0
122.06135	25.9
123.00932	5.9
125.02447	6.1
128.00700	3.6
129.01929	3.9
134.06122	9.8
135.02992	4.1
136.07661	16.0
137.02434	13.9
145.02913	5.9
147.04478	4.7
147.05594	10.0
149.04761	8.8
149.06062	15.8
154.05534	4.0
160.07588	5.2
161.02429	7.0
161.04773	4.6
162.05539	5.0
163.00200	3.3
163.04066	21.6
164.07164	34.1
169.01422	7.9
173.04559	38.9
174.01700	7.3
174.09196	8.6
175.02538	3.7
177.01921	5.8
177.10353	17.4
179.03400	4.0
181.01370	3.4
189.01906	4.0
189.06618	6.6
191.03712	7.0
191.05576	43.9
201.10313	27.4
202.08653	9.9
211.08705	7.8
212.09496	3.2
215.11696	5.0
217.01331	3.6
219.02994	4.2
219.11363	27.3
220.09653	5.5
227.08243	12.5
229.01468	4.6
229.09825	44.1
229.35036	4.1
230.10165	3.7
237.03944	8.8
238.07376	3.9
239.08327	3.9
240.08998	11.4
241.09825	15.8
242.10590	12.2
243.11346	33.5
245.09236	11.3
247.02362	4.5
247.10880	18.8
252.08980	6.5
253.09735	26.3
255.07614	5.4
255.11467	18.0
257.09259	13.0
259.10889	22.5
265.09818	4.7
270.10086	22.5
271.10861	88.0
272.11163	8.1
273.00458	4.0
273.08978	5.1
273.12482	9.2
275.01904	7.5
277.05560	13.5
277.11902	83.2
278.12164	5.5
282.31250	3.3
283.10892	46.9
289.11749	6.3
300.11249	19.0
300.99802	12.0
301.11926	79.6
302.12241	4.3
318.12357	4.5
319.13010	16.8
337.07874	54.2
381.16534	6.2
433.16049	50.9
434.16718	6.4
445.15991	4.4
451.17166	9.8
461.03928	4.0
463.17206	99.8
464.17529	10.3
481.18201	91.6
482.18646	5.3
499.14590	23.5
499.20163	100.0
500.19781	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76455	0.5
59.01367	1.1
69.18828	6.5
71.05019	9.0
82.06833	0.6
82.30001	0.6
85.06595	1.0
97.06615	0.8
99.43802	0.7
194.74361	0.6
195.53496	0.6
208.74663	0.6
219.13850	1.0
237.14996	0.8
279.21259	0.8
377.28610	4.1
378.28873	0.8
393.31772	1.6
395.29349	0.8
407.29916	0.8
409.31296	0.9
425.30927	2.2
437.30606	23.6
438.31100	2.2
455.25552	1.4
455.31662	20.0
455.96356	0.7
456.32248	0.8
469.29431	0.7
481.29575	15.9
482.30014	2.0
499.30661	100.0
500.30930	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	499.1814
Annotation	Rolapitant
Peak:m/z	Relative Intensity
50.75301	1.4
55.01851	1.8
57.14765	1.4
59.01374	19.0
59.17393	1.6
59.72612	1.4
60.72972	1.4
61.98829	9.1
71.01385	12.8
71.53179	1.5
72.99298	2.7
73.02943	2.2
83.01381	2.0
83.05034	2.2
85.02946	6.0
89.02439	9.6
91.74539	1.4
93.03471	2.3
97.02953	1.5
99.00890	3.2
101.02438	8.1
101.31299	1.4
101.82257	1.3
103.90821	1.5
113.02477	6.8
117.03433	2.6
119.03490	3.9
121.02962	18.9
123.00865	3.6
124.01678	8.9
125.02464	17.0
127.04020	2.7
133.02948	7.4
134.03741	41.2
135.04530	2.9
136.01645	1.6
137.02457	3.3
147.04526	9.5
148.05310	31.8
149.06093	10.9
149.99617	7.8
151.00294	2.7
158.03705	3.0
160.01683	13.3
161.02455	8.9
161.04552	3.4
163.03963	2.5
163.07637	25.3
167.03531	2.4
168.00639	14.9
169.01385	6.4
173.06012	3.8
175.04013	15.7
176.04776	21.4
177.01910	4.2
178.02696	7.7
178.46663	1.8
183.13899	4.2
191.05603	1.8
191.07132	32.9
192.04196	1.8
192.07668	1.6
193.05040	44.5
194.05449	1.4
202.32599	1.5
207.06616	13.3
220.03802	5.1
235.06126	76.9
236.06438	3.5
251.12976	2.5
263.12769	2.4
265.07211	15.4
274.08182	3.5
295.08148	13.0
301.16586	5.4
314.09357	1.7
323.13486	13.3
325.16864	1.7
337.15732	1.8
355.10284	2.4
355.17462	3.1
358.61212	1.6
377.14459	2.6
390.47894	1.6
445.41180	1.4
457.16885	3.8
499.18198	100.0
500.18604	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	498.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
61.98829	100.0
69.25995	3.3
71.01380	0.4
85.03037	0.3
92.83724	0.3
118.58208	0.3
130.49712	0.4
135.26183	0.4
161.79669	0.4
186.84862	0.4
232.47792	0.3
267.60989	0.4
357.61563	0.4
375.78845	0.4
455.31848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1459
Annotation	kn-93
Peak:m/z	Relative Intensity
57.03443	1.8
59.01374	1.8
59.62879	0.6
60.99312	4.2
65.64426	0.7
67.01888	12.9
69.03451	3.9
71.01383	5.0
71.28241	1.5
79.36809	0.6
81.03455	2.3
83.05015	2.3
85.02939	1.6
87.00879	17.5
89.02473	0.7
91.54150	0.6
93.03458	100.0
94.03821	1.9
99.00885	1.7
99.04507	1.6
109.02959	0.9
111.04517	12.0
111.05235	1.1
113.02456	1.7
115.03986	1.1
118.04009	0.6
119.05028	23.3
120.05351	0.8
129.01967	2.1
135.04514	0.6
143.03542	1.0
155.03499	2.7
163.04019	13.1
163.95844	0.7
173.04553	54.1
174.04936	0.8
191.03998	1.2
191.05623	16.5
229.01257	0.9
275.01898	0.8
301.00012	0.7
337.08554	5.9
391.75555	0.7
465.38684	0.8
499.14572	74.7
500.14966	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	499.1455
Annotation	kn-93
Peak:m/z	Relative Intensity
52.23031	0.9
59.01371	1.3
60.99302	2.9
67.01891	10.5
69.03445	3.0
71.01373	3.8
83.05021	1.5
85.02949	3.6
87.00882	12.9
93.03456	69.7
99.00870	2.0
99.04524	1.1
99.74060	0.9
111.04516	9.0
119.05029	27.3
120.05343	1.5
129.01923	2.7
145.02931	1.8
155.03502	2.2
163.03998	20.2
173.04538	19.3
191.05602	80.6
192.05905	1.9
325.30484	0.9
337.09335	12.2
379.10376	1.6
499.14554	100.0
500.14938	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	499.1454
Annotation	kn-93
Peak:m/z	Relative Intensity
51.25738	0.7
57.03441	2.2
59.01365	3.8
60.99298	2.8
67.01891	9.3
69.03445	2.7
71.01378	5.7
77.21372	0.7
81.03468	1.2
81.07207	0.8
83.05033	1.9
85.02959	5.0
87.00871	13.3
93.03459	76.1
94.03797	0.9
95.01396	0.9
98.20618	1.5
99.00865	3.0
99.04502	1.0
101.02457	0.8
109.02954	1.3
111.00904	1.2
111.04522	10.7
113.02435	3.0
113.99577	2.4
115.00386	1.7
115.04003	1.1
119.05024	31.9
127.04037	1.8
129.01930	1.9
145.02963	1.9
155.03499	3.2
156.06577	1.2
157.01408	2.3
163.04015	22.3
171.12128	0.8
173.04544	28.4
174.01680	2.9
175.02484	0.8
191.05603	71.4
192.05934	2.4
277.05533	5.1
293.16116	0.9
310.75919	0.7
337.07718	23.8
338.08029	1.1
340.25415	0.8
344.53424	0.8
361.97931	0.7
379.10321	2.2
499.14673	100.0
500.14801	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	498.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94949	1.7
56.41610	1.7
59.01380	42.4
61.98830	100.0
65.00314	2.9
71.01392	11.6
71.52032	3.1
73.02937	5.5
73.22352	1.6
83.01395	3.7
85.02931	6.7
87.00873	2.3
89.02435	5.8
93.03493	2.4
97.02954	1.8
101.02433	8.6
111.00901	2.8
112.84279	1.8
113.02440	6.6
113.26596	1.8
115.00371	3.0
119.04984	2.5
125.02447	2.5
133.02956	3.6
135.04549	14.4
136.04887	8.8
137.02403	2.1
153.01888	5.4
161.02406	9.6
161.04536	2.2
169.01332	6.0
173.04489	2.5
175.02472	7.0
179.03499	14.2
180.03838	11.4
181.01363	5.6
183.02956	8.7
184.03369	3.4
187.13371	3.8
191.05612	2.7
197.83829	1.9
275.01968	4.5
300.99866	6.3
331.17563	16.4
335.07608	4.1
336.08014	11.4
337.02185	1.9
337.07761	4.0
346.08350	2.1
349.18698	7.1
391.19705	17.6
446.85858	2.2
498.09808	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98829	100.0
69.35267	1.0
69.35667	1.1
71.01380	0.5
71.36530	0.2
78.15333	0.2
85.02956	0.5
89.02451	0.5
93.03467	0.4
101.02472	0.3
108.02155	0.3
109.02991	0.5
114.63746	0.2
123.00851	0.5
123.04522	0.7
125.02438	0.9
133.03000	0.4
135.04532	0.5
137.02446	0.6
138.01973	0.8
152.01196	0.2
153.01900	0.5
161.02446	0.8
161.04491	0.3
168.00676	0.5
169.01447	1.0
177.01976	0.7
179.03522	0.3
183.14006	0.3
187.91042	0.3
189.02026	0.6
191.05649	0.4
193.05119	0.4
217.01463	0.5
219.02892	0.3
231.02972	0.3
235.06186	0.4
249.61537	0.3
301.16708	0.5
323.07648	0.4
337.16663	0.4
341.06641	1.3
353.08801	0.3
367.17554	0.3
435.10910	1.1
498.16986	0.8
499.18509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58507	0.3
59.01368	0.5
61.98828	100.0
63.99251	0.6
71.01423	0.6
81.03445	0.4
82.22731	0.3
83.01398	0.4
83.75571	0.3
93.03481	0.5
98.20634	1.3
105.21547	0.4
107.01421	0.4
119.05028	0.6
123.00918	0.9
123.04530	1.8
125.02466	2.8
135.02986	0.4
135.04477	0.4
151.00352	0.7
167.03482	5.7
168.00626	0.3
169.01407	2.1
169.29628	0.3
170.01791	0.6
173.04582	0.8
179.03566	0.6
207.29498	0.4
211.02603	0.5
245.01057	0.5
266.00635	0.3
273.07666	10.5
274.08380	0.5
286.04193	0.4
337.09229	0.5
435.13190	1.7
455.09851	0.4
498.16974	1.5
499.18301	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	498.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	44.5
59.83794	1.9
61.98831	100.0
65.00308	2.1
71.01389	12.2
71.44081	3.1
73.02924	5.5
75.68363	1.6
78.25623	1.6
83.01376	3.0
85.02927	5.7
85.45507	1.9
87.00866	2.7
89.02428	2.7
93.03439	2.2
95.01415	2.2
97.02946	4.6
101.02422	6.6
113.02427	6.6
115.00307	3.1
119.03534	2.3
119.04986	2.6
125.02446	3.9
133.02904	3.0
135.04526	16.7
136.04845	6.5
144.76515	2.0
150.66718	2.8
153.01900	3.4
161.02472	9.4
161.04628	2.0
169.01360	3.4
175.02434	5.5
179.03520	14.5
180.03827	9.9
181.01411	4.6
183.02946	6.1
184.03285	2.3
187.13365	5.3
191.05508	2.6
222.99290	1.9
223.01848	1.7
223.12619	1.7
225.04048	3.6
254.16051	2.1
275.01910	2.6
299.33899	1.9
300.99948	2.3
323.07697	2.7
331.17627	14.3
335.07706	4.5
336.08060	10.5
337.07858	3.9
349.18524	6.1
391.19733	12.6
397.28607	2.2
411.20441	2.5
498.09314	3.5
506.72272	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3273
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
54.93502	1.2
59.01383	20.3
61.07276	1.1
70.02912	6.0
74.08127	1.2
96.83604	1.2
98.20587	2.0
105.49168	1.4
120.27694	1.4
158.24133	1.3
179.83473	1.6
269.24966	1.9
294.08804	1.5
421.31247	4.1
479.31808	9.1
497.32730	100.0
498.32907	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	498.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12280	1.9
52.61498	1.6
57.03434	3.0
57.76713	1.6
59.01380	3.4
61.98829	97.6
65.00320	12.7
70.09799	3.5
70.10187	4.3
71.01402	3.7
82.92953	1.6
83.01418	4.9
89.02444	2.3
96.96035	3.1
101.02457	1.6
107.01388	20.1
107.64172	1.8
109.02921	2.1
111.00860	3.0
123.04526	4.8
125.02464	16.8
133.02992	3.7
135.04529	4.3
137.02451	1.9
137.81058	2.1
150.03241	10.7
151.00365	100.0
151.03990	17.8
152.01155	8.7
153.01880	2.9
161.02399	4.9
169.01381	3.8
177.01898	3.3
178.99858	13.6
199.04021	2.7
201.37657	1.8
215.61281	1.8
217.05035	3.0
231.09555	1.8
270.31628	1.9
283.08374	3.0
285.04019	56.9
303.05069	21.6
309.06100	3.5
435.09286	68.6
436.09631	7.3
499.18539	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	498.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.7
61.98827	79.1
65.63207	2.5
67.01869	4.2
71.01378	7.2
71.53642	4.2
73.31985	2.5
73.79950	2.6
83.01400	2.9
85.02945	6.1
95.01394	5.6
101.02443	2.8
107.01365	7.8
113.02460	3.1
121.02937	24.1
123.00871	19.7
125.02460	26.5
135.04509	23.2
139.00349	14.6
140.31799	3.1
151.00343	18.6
153.01933	18.4
161.02408	3.9
163.03926	2.6
169.01401	46.8
170.01707	3.7
178.57204	2.4
191.05632	8.7
211.02460	8.4
251.43855	2.9
313.05905	4.2
315.07187	9.1
435.09311	100.0
436.09402	8.2
498.16083	12.8
499.18234	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	498.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11882	0.4
55.29119	0.4
59.01383	1.7
61.98830	100.0
67.69178	0.4
69.21483	4.2
69.21826	0.5
71.01404	1.0
85.02975	0.8
93.03477	1.0
101.02512	0.7
109.02953	1.5
110.20953	0.4
113.02467	0.6
117.03511	0.7
119.05063	0.5
121.02953	0.5
123.04543	1.6
125.02438	0.7
133.02951	1.0
134.03757	5.6
135.04533	0.7
138.74780	0.4
145.02968	1.0
147.04524	1.7
148.05357	0.5
149.06064	0.9
151.00356	0.4
151.03957	1.0
153.02040	0.5
153.56331	0.4
160.01663	1.9
161.02522	0.6
169.01462	0.8
173.04631	0.6
175.04033	2.1
176.04762	3.3
177.01930	3.7
178.02765	0.8
189.01927	5.8
190.02715	1.6
191.03500	1.4
191.05620	0.8
191.07129	4.2
192.04355	0.7
193.05078	6.8
203.03619	0.6
207.06653	1.9
216.00758	1.3
217.01414	5.2
219.03075	1.8
220.03703	0.5
231.03038	1.7
235.06105	10.9
235.08347	0.7
265.07269	1.7
271.06451	0.5
287.09622	0.4
295.08453	1.5
311.05728	0.9
323.13599	1.6
337.09195	0.5
341.06656	15.7
341.10626	0.8
342.07193	0.8
435.10822	16.2
436.10974	1.1
499.18307	8.3
499.25095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	2.4
59.01382	21.3
61.98834	12.1
64.00507	1.8
64.55300	1.5
68.36097	1.7
70.81890	4.4
71.01385	9.0
71.08462	1.8
72.99314	1.7
73.02928	5.3
75.00830	1.8
78.95879	2.2
83.01364	3.4
85.02924	5.0
88.04130	1.5
89.02425	3.1
95.01392	2.7
101.02434	9.0
107.01355	4.7
109.02927	2.7
111.00831	3.6
113.02404	2.3
119.03516	2.5
123.00900	12.8
124.01659	1.9
125.02443	23.7
129.01941	2.3
133.02911	4.0
139.00339	9.1
140.01129	4.1
145.02917	2.7
151.00340	10.0
153.01889	9.0
161.02438	18.8
168.00583	5.2
169.01439	35.1
177.04030	4.0
179.03464	2.3
183.10304	1.7
183.13757	3.2
211.02371	1.9
271.04446	3.7
329.23297	3.5
371.09714	4.5
421.19113	2.4
497.20139	100.0
498.20639	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	497.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	10.7
59.01373	17.7
61.98823	4.8
69.43478	10.5
71.01382	11.6
73.02953	3.2
79.55708	1.4
83.01391	4.9
83.63405	1.5
85.02948	1.9
85.06569	5.2
89.02434	12.1
99.00845	2.6
101.02449	9.6
113.02456	2.6
119.05003	4.9
123.00897	3.3
125.02443	100.0
126.02786	2.7
131.03490	2.9
133.02907	1.6
137.02423	1.8
145.02971	9.5
149.02408	2.8
149.04572	9.1
153.01926	4.6
154.99829	1.4
156.21329	1.4
161.02451	3.7
161.04700	1.8
161.06047	1.7
163.03983	4.9
165.12804	1.7
167.10707	3.5
169.01422	5.3
183.13898	1.7
222.00899	1.7
233.06781	2.0
235.06126	3.0
265.07080	3.0
291.18039	6.8
293.08743	17.7
297.95258	1.4
303.06616	1.4
307.08188	2.6
311.09885	1.7
329.06433	13.8
437.23926	8.0
497.20132	22.7
498.20517	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	497.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25137	5.0
59.01382	66.7
61.98819	17.2
69.39874	29.2
69.40295	8.9
71.01384	38.7
73.02943	19.1
81.51054	4.2
83.01358	14.3
85.02946	29.1
86.37470	4.8
89.02448	7.0
95.01415	4.6
99.00918	4.7
101.02443	53.1
108.02150	12.0
109.02946	8.4
111.00859	6.0
113.02443	11.0
117.44746	4.7
119.80963	4.8
123.00919	6.2
125.02458	37.4
137.02568	6.7
144.04514	5.6
152.01080	8.1
153.01956	7.6
161.02451	15.5
161.04546	11.6
169.01404	15.0
179.17163	5.5
217.20033	5.5
260.97665	4.7
291.18161	74.0
303.29785	4.6
437.23947	99.0
438.24072	8.2
465.17929	7.7
497.20734	100.0
497.28268	7.7
497.30972	4.3
498.20901	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	497.1298
Annotation	Verproside
Peak:m/z	Relative Intensity
59.01377	1.9
61.82954	0.6
64.97984	0.6
66.12386	0.7
71.01397	0.7
71.52523	0.8
73.02956	1.1
75.00867	0.9
82.84148	0.5
83.05021	1.6
85.02972	1.0
93.03459	10.9
96.96006	0.7
97.02989	0.7
99.00873	0.7
101.02442	1.1
107.05042	1.4
109.02943	0.7
111.04525	4.8
123.00912	0.6
125.02457	2.6
133.02945	4.5
134.03732	3.4
135.04526	100.0
136.04832	2.9
137.02437	6.3
139.04025	1.4
153.01942	0.6
155.03497	2.6
161.02443	23.6
169.01414	2.1
173.04593	1.0
179.03493	87.6
180.03833	2.2
203.03516	0.7
212.35143	0.7
229.01505	0.7
257.70990	0.5
265.04318	0.6
300.99896	1.1
335.07700	87.7
336.07925	5.4
341.08801	0.8
497.12973	6.7
511.72043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1664
Annotation	Globulusin B
Peak:m/z	Relative Intensity
50.95645	0.6
53.94517	0.6
59.01364	1.4
61.98827	41.9
69.03442	2.6
69.26407	3.2
69.26820	2.3
70.92498	0.5
71.01360	1.1
79.01851	0.9
80.79851	0.6
81.03438	1.3
83.01375	1.5
93.03428	0.9
95.01407	1.5
97.02940	2.4
101.02441	0.8
107.01365	2.7
109.02924	2.2
123.00875	8.2
124.01661	24.5
125.02446	59.8
126.02763	1.2
135.04471	1.4
136.01604	0.7
137.02411	1.9
139.00456	0.7
149.99579	29.9
151.00371	4.5
153.01917	2.5
161.02411	1.1
163.00189	0.7
163.03954	0.9
167.03389	1.1
168.00632	59.0
169.01410	18.3
179.03613	1.4
183.02913	0.7
193.01402	0.8
211.02420	0.7
261.07556	1.0
269.06790	0.7
271.06274	0.7
272.06497	1.8
277.71323	0.6
313.05716	1.5
434.11664	0.8
497.16592	100.0
498.16891	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	497.1663
Annotation	Globulusin B
Peak:m/z	Relative Intensity
57.03444	0.6
58.00582	0.6
59.01384	4.2
61.98825	1.6
66.35007	0.5
67.01878	1.7
69.03447	1.6
69.20117	0.4
71.01370	4.1
72.99305	0.8
73.02940	0.7
79.01886	2.0
83.01369	0.8
85.02973	1.3
87.04493	0.5
89.02461	0.7
93.07079	0.7
95.01400	2.9
97.02952	0.6
98.19818	0.7
99.08160	0.5
101.02435	1.1
106.30190	0.4
107.01392	7.8
109.06593	1.5
111.00887	1.4
111.08167	0.8
113.02415	1.6
119.76255	0.5
123.00883	23.9
123.04508	0.9
123.08149	0.7
124.01633	1.0
125.02444	28.0
127.07639	5.3
132.08276	0.4
136.98833	0.6
137.02437	1.4
137.06064	2.9
139.00380	7.1
139.11295	2.8
140.01158	2.2
141.01962	2.6
145.02902	1.1
150.99200	0.8
151.00365	15.3
153.01904	1.3
155.07100	2.4
165.01952	0.6
165.09258	0.8
167.03424	1.4
168.00652	3.2
169.01421	50.0
170.01735	1.2
183.03006	1.0
183.10268	3.1
193.01382	0.8
197.11790	1.6
211.02443	7.7
223.02515	0.8
225.11285	2.1
253.03519	1.3
307.08426	0.6
313.05667	3.6
355.02927	0.5
437.14514	1.2
497.16629	100.0
498.16971	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	497.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
59.39763	2.0
61.98826	5.3
70.08646	9.3
71.01386	4.5
74.13732	2.1
78.96394	2.1
85.02944	3.3
89.02457	3.4
93.03472	4.7
95.01308	2.9
98.20578	2.5
101.02481	2.4
107.05009	2.0
109.02968	4.4
111.00901	3.9
117.03452	4.6
119.05016	5.2
121.02950	4.6
123.00895	2.8
125.02457	3.7
129.03439	2.0
132.82077	2.1
133.02957	8.5
135.04541	20.0
137.02434	5.3
138.43541	2.2
145.02959	16.1
147.04512	9.8
149.02374	4.4
151.03992	2.4
153.01965	2.4
161.02434	16.9
163.00414	2.8
163.04010	12.9
165.05605	4.4
169.01472	2.2
173.02409	17.1
174.70511	2.1
175.00397	3.9
175.04025	9.2
176.01106	2.1
177.01942	9.3
179.03488	17.5
189.01936	20.2
190.02696	13.8
191.03488	43.0
191.05563	7.2
192.05971	3.4
199.00435	2.3
201.01878	16.9
203.03468	9.7
205.01363	5.6
209.00868	4.3
209.04335	2.8
214.99901	3.7
217.01392	23.5
217.05136	2.0
218.02133	4.1
219.02930	19.0
221.00919	6.0
229.01422	19.1
235.02483	8.9
242.99321	2.6
245.00908	25.8
245.04570	3.3
247.02458	100.0
248.02808	3.3
257.01031	4.1
261.00372	8.1
263.01987	4.4
270.98911	12.1
271.99625	2.9
273.00375	52.5
277.03375	3.1
289.03546	3.3
290.98389	2.3
291.01443	12.4
298.98303	27.2
299.99036	3.5
300.99945	16.8
333.02579	10.1
335.07718	11.0
345.07132	3.2
363.83575	2.4
393.04694	8.7
397.07697	4.4
407.06039	3.9
417.04666	2.6
423.05716	2.9
425.07352	4.4
435.05637	7.0
451.05173	12.5
453.06763	21.3
479.04691	30.8
480.05020	2.4
497.12881	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	495.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	22.5
66.53441	21.5
69.51196	64.9
69.51617	100.0
112.68085	22.8
132.92274	21.8
260.81799	22.7
277.03903	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	495.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93816	11.1
59.01387	20.2
61.98837	33.4
69.38247	100.0
69.38562	14.0
75.77689	11.5
76.53625	10.0
83.42783	11.8
98.16267	13.8
98.20597	22.7
127.36731	10.7
131.06491	11.0
152.59328	11.3
176.34077	13.8
211.13327	14.9
222.90845	11.9
234.93047	11.4
301.15958	11.3
495.36786	15.7
503.29538	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	495.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77604	22.6
58.67494	23.4
59.01382	40.1
61.98818	100.0
66.22009	22.3
71.10496	49.6
95.64566	26.2
96.96034	34.6
152.44838	23.1
209.11836	40.8
239.86307	26.0
348.14456	29.2
495.33582	41.1
512.06323	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19292	2.2
61.98830	27.0
62.93587	3.2
69.22929	13.0
69.23350	8.7
90.32757	2.2
100.65062	2.4
108.18833	2.3
109.02988	2.4
151.00351	8.1
178.99829	3.7
197.17616	2.7
243.02943	7.0
255.02983	20.9
271.02457	40.3
272.02924	3.9
299.99362	5.0
300.02737	83.8
301.03485	54.6
384.93405	3.2
433.07730	100.0
434.07880	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	496.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.98830	100.0
69.16710	0.8
69.17115	4.0
72.20859	0.4
89.02421	0.5
93.03476	0.5
117.03455	0.5
119.05068	0.8
121.03009	0.4
122.03728	1.9
125.02472	1.9
135.04605	0.6
145.02948	1.3
169.01421	2.5
186.70815	0.5
271.10904	0.5
276.94266	0.5
361.06567	0.4
476.79736	0.4
497.16318	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75920	2.3
59.01379	3.7
61.98819	5.4
70.84567	7.0
71.01378	4.6
79.45943	2.3
82.29203	2.7
82.39358	2.1
91.05469	2.4
93.03481	3.1
111.00882	2.9
117.03468	5.0
119.04999	4.4
123.00839	2.7
125.02467	3.0
133.02950	4.2
135.04576	12.6
137.02411	4.4
145.02965	16.9
147.04480	11.4
149.02420	3.8
157.02907	3.5
161.02408	17.2
162.03114	2.5
163.03990	15.2
165.01805	3.4
165.05566	4.5
169.01418	2.4
173.02480	15.8
174.89311	3.0
175.00259	3.5
175.03975	10.0
177.01875	3.9
179.03535	11.4
181.01407	3.3
189.01920	14.2
189.50826	2.6
190.02679	13.6
190.99895	3.1
191.03505	43.8
191.05321	3.7
201.01874	15.3
203.03438	10.9
205.01411	7.1
209.04333	4.6
214.99892	2.9
217.01381	26.0
218.02058	5.3
219.03015	21.3
221.00917	7.7
228.00568	2.5
229.01373	19.8
235.02434	12.2
242.99358	4.1
245.00856	22.5
247.02454	100.0
248.02847	4.8
250.44379	2.7
259.02448	4.4
261.00323	5.9
263.01865	5.2
270.98764	12.2
273.00406	58.4
274.00592	3.9
277.03439	3.3
289.03342	3.1
291.01358	12.5
298.98303	28.2
299.98587	3.2
300.99908	22.1
316.99329	3.9
333.02521	15.2
335.07870	5.7
345.07083	3.3
393.04666	11.4
397.07538	4.2
423.05637	3.4
425.06696	3.3
435.05612	6.5
451.05255	9.2
453.06711	21.2
479.04712	33.3
494.48553	2.4
497.12573	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	495.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
59.71057	0.2
61.98828	3.5
64.97768	0.2
65.03962	0.4
71.01384	0.4
71.05006	0.4
76.92712	0.2
85.02947	0.3
93.03458	53.0
94.03799	1.1
95.01377	0.5
98.06828	0.3
101.02431	0.2
137.02444	100.0
138.02800	2.5
139.00296	0.3
183.13904	0.5
195.13895	0.3
213.14996	3.0
219.57779	0.3
235.16747	0.3
323.18796	0.3
330.21716	0.6
348.23013	0.3
431.30603	0.3
477.31525	0.3
494.32285	0.7
495.29297	2.1
495.37283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.1
59.01377	14.8
61.98812	1.6
71.01382	10.1
71.52504	0.9
72.99300	1.0
75.00897	0.8
80.05067	1.5
85.02942	3.0
87.00833	0.9
89.02437	7.1
89.67088	0.6
95.01380	1.1
101.02431	6.2
108.04552	9.7
113.02434	3.9
119.03494	2.9
119.05000	2.1
121.02936	4.7
121.05333	1.5
122.06111	0.7
123.00875	1.8
125.02409	4.1
127.07647	2.6
128.98317	0.6
133.03026	0.9
135.02962	1.7
135.04520	2.3
136.07669	15.6
137.08008	0.7
138.05615	0.9
145.02937	6.1
147.03250	2.1
151.00391	1.2
152.03882	0.6
153.01932	1.0
155.10735	1.5
161.02451	2.8
162.05589	6.2
163.04008	2.7
163.06096	0.9
169.01376	6.2
171.06590	1.9
179.03485	1.0
188.07172	1.0
191.05583	1.3
195.05022	0.9
198.07977	0.7
205.05040	1.1
212.09554	0.9
213.06729	2.1
227.11877	1.3
228.10284	0.7
229.09903	1.3
238.07481	1.7
241.06267	0.9
242.06941	2.2
243.07509	0.7
243.11342	2.2
253.09729	4.2
256.08481	1.9
270.10153	1.9
271.10858	100.0
272.11130	6.6
273.09863	0.8
313.05621	1.3
333.11975	1.4
373.07846	1.2
435.09351	0.7
459.14960	7.8
460.15170	0.9
477.10513	2.9
495.10962	2.7
495.16791	6.1
495.21838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	0.5
59.01378	18.8
61.98810	0.9
69.23984	2.6
69.24417	1.8
71.01382	8.8
72.99304	1.3
80.05058	1.6
83.01374	0.6
85.02945	3.0
87.00864	1.0
89.02442	8.3
95.01374	1.0
98.19907	0.7
101.02441	5.1
108.04546	9.1
113.02438	3.0
116.51179	0.4
117.13786	0.4
119.03477	3.3
121.05325	1.1
122.06117	0.9
123.00867	0.4
136.07675	16.2
138.05565	1.3
147.03275	1.8
148.03992	0.7
159.06775	0.5
161.02542	0.6
162.05588	5.4
187.72498	0.5
197.07144	0.5
198.08022	0.9
200.05870	0.6
200.10817	0.8
202.12335	0.5
212.09615	0.6
213.06624	1.4
216.06587	0.7
217.07335	0.5
227.08287	0.6
227.11876	0.8
228.08812	0.5
229.09859	1.3
237.06462	0.5
238.07532	1.2
241.06078	1.2
242.06956	1.7
243.11368	1.9
246.11298	0.8
253.09834	4.2
255.11409	0.8
256.08463	1.3
270.10010	1.5
271.10864	100.0
272.11203	5.6
405.41254	0.5
408.16779	0.6
433.16144	0.7
451.17477	1.3
459.04700	0.5
495.15952	6.4
496.16031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.3
60.99299	14.0
61.98827	4.4
71.01379	12.0
73.02926	6.2
75.00860	7.7
78.81868	2.3
79.54404	2.7
85.02934	9.1
87.00861	5.1
88.98805	100.0
89.02436	52.1
93.03454	3.9
96.47945	2.5
99.00871	4.8
101.02446	5.2
108.04510	3.5
109.02924	6.7
113.02464	5.6
121.02923	10.2
123.00888	4.0
123.04474	3.9
124.01653	3.6
125.02470	27.1
133.02942	4.7
135.02975	7.7
135.04524	12.3
136.07651	3.2
137.02397	5.2
145.02946	5.2
149.04695	2.6
149.06081	3.1
151.00360	4.4
151.03998	3.9
153.01944	3.0
155.10690	2.7
161.02432	28.9
163.00389	4.8
163.04021	7.1
165.01961	3.8
168.00563	4.3
169.01410	35.8
177.01743	3.7
179.03542	4.0
181.01413	5.2
181.05081	5.5
191.05582	7.1
201.11453	2.4
211.02454	9.3
257.04620	3.3
271.04599	10.2
271.10834	25.5
301.00134	2.6
326.71588	2.7
331.06445	4.8
332.42337	2.4
459.15253	18.5
477.10208	3.9
495.11279	42.4
495.20746	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	495.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84469	0.5
59.01382	4.1
61.98825	0.7
63.40794	0.5
67.01916	1.0
68.99826	0.6
69.03446	1.0
69.26627	4.3
71.01380	5.3
72.99300	0.6
73.02949	1.2
75.00872	1.7
79.01864	1.1
83.01388	1.1
85.02940	2.1
86.00065	0.4
87.00891	1.2
89.02428	2.0
93.03454	1.3
95.01391	1.0
97.02938	1.3
99.00871	0.6
101.02454	2.6
107.01387	6.3
107.05012	1.0
109.02946	0.8
110.00101	0.5
111.00874	2.1
113.02444	1.9
119.03522	0.9
121.02962	2.6
123.00887	10.5
124.01670	1.6
125.02453	40.1
126.02809	1.6
127.00365	1.2
132.24301	0.5
135.03033	0.7
135.04523	4.6
136.01642	0.5
136.98810	1.3
137.02437	1.8
137.09680	0.5
139.00389	4.6
139.03984	0.9
140.01157	3.8
141.01945	1.1
146.51532	0.5
149.02391	0.6
151.00388	7.8
151.04042	0.5
153.01970	0.5
155.10777	1.9
161.02434	2.6
161.04568	0.9
162.02968	0.8
165.01932	0.6
166.06354	14.8
167.07091	1.3
168.00603	3.2
169.01422	50.6
169.84637	0.5
170.01733	2.0
171.01842	0.5
177.04019	0.8
177.05531	0.6
179.03499	2.0
179.05663	0.8
180.03937	0.5
181.05090	1.0
181.08691	5.6
183.02948	1.7
195.05107	0.5
199.09724	1.3
211.02472	1.2
221.04527	0.7
239.05478	0.9
241.03592	1.1
253.03627	0.7
253.06145	0.5
271.11038	0.5
281.06619	0.5
283.07294	0.5
297.06161	1.0
313.05649	13.3
327.07053	0.5
332.06979	0.6
333.07242	1.0
343.09491	0.6
377.14517	1.0
398.91901	0.5
432.78909	0.5
495.15103	100.0
496.15451	7.9
496.49426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24501	0.4
50.34307	0.5
59.01373	1.1
67.01879	0.6
69.03425	0.5
69.29308	2.7
69.29720	1.6
71.01376	3.3
73.02917	0.5
79.01854	0.6
83.01387	0.6
84.60648	0.4
85.02928	1.2
85.67664	0.4
87.00851	0.5
87.23767	0.4
95.01384	1.7
97.02927	1.2
101.02441	1.2
107.01378	7.0
111.00878	1.7
113.02420	1.0
121.02962	3.3
123.00879	9.6
124.01640	1.4
125.02448	36.5
126.02765	0.8
135.04475	1.6
136.98827	0.5
139.00372	3.6
139.04037	0.7
140.01144	2.6
141.01920	1.0
151.00365	5.8
153.01929	0.5
156.20744	0.5
161.02425	0.8
165.01875	1.1
166.06342	14.3
167.07016	1.4
168.00577	2.6
169.01421	47.8
170.01755	1.3
171.01808	0.9
181.08707	5.1
183.02872	1.2
189.31860	0.5
192.74353	0.5
211.02550	0.7
241.03540	0.6
253.03705	0.6
297.06030	0.7
313.02200	0.9
313.05624	10.4
317.12256	0.6
327.07239	0.9
333.07153	1.1
368.84695	0.5
495.15057	100.0
496.15387	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	495.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.7
61.98846	0.7
70.85234	0.9
70.85542	1.0
71.01379	5.2
71.45668	0.8
73.02944	1.6
75.00882	2.6
85.02935	1.5
87.00879	1.0
89.02441	2.0
91.05539	6.7
93.03448	3.5
96.96006	1.0
101.02448	2.1
107.05025	18.2
107.88354	0.7
108.02145	1.0
109.02948	1.3
113.02464	1.1
117.03417	1.4
118.00013	0.7
119.03518	1.0
119.05017	2.5
121.02950	3.2
125.02454	6.1
133.02936	0.9
134.03767	4.1
135.02901	2.8
135.04524	100.0
136.04861	3.0
137.06030	4.8
137.09821	0.8
145.02953	4.9
146.03741	2.4
146.21346	0.7
147.04500	1.4
149.06047	4.1
150.03201	1.8
151.00415	1.0
155.10764	4.9
161.02457	3.1
161.06094	1.8
164.04808	1.4
165.05579	2.6
169.01410	3.0
173.06078	0.7
177.05556	1.2
179.03532	2.0
179.07118	2.0
180.03938	1.3
181.05078	8.0
187.66476	0.7
195.06630	8.5
199.09717	1.6
204.98764	0.7
224.40291	0.7
235.06114	8.5
251.05595	1.2
283.07379	1.1
317.12476	1.3
329.10187	4.4
341.10187	3.5
343.09271	1.0
359.11099	6.3
377.12259	4.4
419.48441	0.9
456.24350	0.8
495.15726	21.4
495.23874	1.3
495.30902	0.9
496.15637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
59.01375	10.4
61.98837	6.4
65.00333	1.4
67.01881	1.4
69.03464	2.0
71.01387	7.5
71.52191	1.8
72.99316	2.5
73.02930	3.4
75.00854	4.7
78.95924	1.3
79.01886	1.6
83.01399	2.0
85.02937	4.6
87.00858	2.2
87.94254	1.1
89.02433	2.8
93.03463	4.1
95.01367	3.6
95.11934	1.4
97.02939	2.7
99.00896	1.3
101.02425	4.2
107.01371	5.9
109.02929	1.4
111.00868	3.3
113.02464	2.8
119.03432	1.4
119.05010	1.3
119.41124	1.2
121.02930	2.4
123.00885	20.2
124.01704	7.0
125.02441	36.1
125.87554	1.6
126.02783	4.3
127.00365	1.6
127.02911	1.5
129.01929	1.5
133.02965	3.4
134.03391	1.5
135.04536	3.0
136.98740	1.4
137.02437	1.6
139.00395	8.1
139.04001	1.5
140.01146	5.1
141.01921	3.4
149.99617	6.6
151.00389	14.2
151.03954	1.5
155.10777	2.8
161.02451	8.4
162.02792	2.4
163.02855	2.2
166.02626	3.2
166.06290	3.9
166.99892	1.2
167.07118	2.7
168.00644	25.3
169.01398	34.2
170.01131	4.5
171.02051	1.3
177.04044	3.1
179.03410	2.1
181.05054	1.6
181.08621	1.7
183.02998	1.8
187.09721	1.5
211.02394	3.3
245.08588	1.2
269.98691	1.2
274.93588	1.3
307.33466	1.2
313.05780	7.5
315.06003	2.0
329.12256	4.3
331.06659	4.8
332.07037	8.4
333.07190	16.9
429.23904	1.4
480.12598	2.0
495.09253	15.6
495.15784	100.0
496.15903	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	495.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49969	0.5
59.01373	2.8
61.98816	2.1
66.75298	0.6
67.01885	1.5
69.03475	1.4
71.01377	2.4
71.51458	1.3
73.02948	0.9
75.00867	0.9
79.69915	0.5
85.02970	3.8
87.00871	1.0
89.02449	1.6
93.03455	9.6
97.02964	0.8
99.04530	1.3
101.02422	1.0
107.01402	5.9
109.02927	1.3
111.04518	2.7
113.02433	1.2
116.83215	0.6
119.04991	0.9
121.02981	0.7
123.00881	1.4
124.01663	1.0
125.02441	49.2
126.02757	0.8
127.04034	1.2
135.02989	0.9
135.04489	1.1
136.07693	1.5
137.02431	3.5
138.05624	0.7
139.00369	0.8
141.13753	0.6
143.03494	1.1
145.02884	1.4
147.96115	0.6
151.00368	1.5
151.03975	0.8
153.01910	1.0
155.03485	2.5
161.02451	1.9
163.03970	0.6
167.20142	0.5
168.00420	0.9
169.01414	100.0
170.01776	3.9
173.04532	24.3
177.01921	0.8
178.99844	1.2
181.55266	0.6
189.01793	0.7
191.03812	1.6
191.05598	41.4
192.05934	1.4
193.01418	1.4
211.02364	0.8
215.03493	0.8
217.01376	1.7
271.10788	6.6
301.00037	1.3
325.05649	8.1
343.06662	76.8
344.07098	4.1
432.11963	0.7
495.07306	11.8
495.17447	1.4
496.08008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47451	0.6
59.01379	2.8
61.98820	2.0
67.01874	1.0
69.03448	0.9
71.01376	2.6
75.00900	0.7
81.03449	0.7
83.05037	0.9
85.02944	4.2
87.00873	1.2
89.02439	0.8
93.03458	10.0
98.20696	1.3
99.04518	1.1
101.02446	1.2
107.01382	4.8
108.02158	0.7
109.02946	1.4
111.04515	2.5
113.02461	1.7
119.04935	0.7
120.18985	0.6
121.02930	1.7
123.00871	0.7
123.04565	0.7
125.02446	43.2
126.02738	0.8
127.04018	1.2
135.02975	1.1
135.04529	1.1
136.07721	0.8
137.02426	3.4
145.02950	1.6
151.00325	1.3
153.01920	1.1
155.03462	2.9
158.23717	0.6
160.60074	0.5
161.02484	1.3
163.03955	0.8
168.00708	0.7
168.58345	0.6
169.01418	100.0
170.01782	2.7
173.04539	19.7
173.06053	1.1
178.99886	0.7
189.01897	1.3
191.03793	1.3
191.05600	39.4
192.05928	0.9
193.01501	1.5
211.02519	0.9
229.05215	1.0
232.09233	0.5
245.00861	0.8
271.10873	4.7
315.04810	0.7
325.05637	8.9
343.06674	74.4
344.06937	3.0
362.75677	0.6
495.07336	10.1
495.17340	1.1
496.08423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85995	2.9
59.01380	6.8
61.98830	26.3
64.59059	3.1
69.48413	23.4
124.66436	3.4
125.02470	4.5
145.79805	3.5
174.57474	3.3
209.11780	7.2
214.95580	3.1
475.33698	9.7
493.09863	5.7
493.35519	100.0
494.35864	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	493.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	26.8
60.36351	22.7
61.98817	100.0
70.67913	78.5
81.37620	21.9
96.95959	27.9
111.92105	22.8
117.35696	22.8
142.14439	24.4
158.72818	21.2
181.86913	30.8
279.23352	38.7
359.25073	24.5
415.00165	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	493.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53306	19.9
59.01360	62.4
61.98816	60.8
68.13978	16.6
73.20411	19.5
98.19855	38.5
125.02362	25.2
245.47218	20.4
493.34961	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	493.309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82943	16.2
58.28157	18.8
59.01375	20.3
61.98841	100.0
94.87108	15.8
96.96005	27.3
108.70443	15.4
119.75775	14.8
124.73326	15.3
150.21199	16.0
152.99556	24.9
168.88904	17.5
169.89894	17.4
191.83270	21.9
306.08099	15.6
447.25745	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	493.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97688	30.4
59.01377	41.6
61.98824	100.0
71.23255	29.8
86.21725	30.8
96.96017	31.4
98.19906	96.8
106.78941	34.7
152.99623	35.7
177.35779	31.9
203.14690	30.8
297.51575	36.9
493.35449	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	33.8
61.98824	73.2
66.14455	25.7
78.95863	27.8
84.46462	22.5
96.96006	29.5
98.19892	100.0
152.99574	38.3
169.01411	22.0
194.88823	25.0
229.51176	27.8
425.30698	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	494.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25019	0.1
58.77515	0.1
59.01379	0.3
61.98827	100.0
62.98535	0.1
68.84859	0.1
69.22569	0.3
69.22977	0.9
81.95847	0.1
98.19775	0.1
125.02465	0.2
151.00397	0.2
161.04587	0.1
164.04832	0.1
169.01395	0.1
183.04381	0.1
183.10326	0.1
185.06178	0.1
187.03989	0.2
189.05655	0.1
211.03969	0.2
213.05653	0.2
227.03473	5.5
228.03845	0.5
229.05016	0.4
239.03442	0.2
255.02966	8.2
256.03589	1.2
257.04572	0.4
284.03250	10.3
285.04001	9.0
286.04401	0.5
297.04977	0.1
327.05161	0.2
349.02203	0.1
431.09796	17.8
432.10107	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	493.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03458	0.6
59.01379	4.2
61.98827	2.8
69.21957	2.5
71.01381	2.7
72.99313	0.5
73.02945	1.2
78.95886	0.3
83.01349	0.3
83.05077	0.3
85.02943	1.6
89.02455	1.3
94.83715	0.3
95.01408	0.3
99.00888	0.6
101.02431	2.2
105.03470	0.9
113.02452	1.3
117.03479	2.0
118.43135	0.3
119.03477	0.3
119.05003	0.6
121.03019	0.3
125.02467	0.5
127.03931	0.3
132.02170	1.3
133.02959	32.9
134.03690	1.3
135.04527	8.0
137.02440	0.6
144.76193	0.2
145.02933	1.7
149.06024	0.4
161.02441	100.0
162.02789	3.3
163.03925	0.6
164.61790	0.2
169.01476	0.5
179.03496	5.3
187.07605	0.3
203.63692	0.3
221.04408	0.5
227.12843	0.4
281.06741	0.5
492.34436	0.4
493.20792	71.9
494.21106	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	493.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
58.00580	2.4
59.01377	48.4
61.98832	5.4
69.03463	1.0
69.21022	7.9
69.21419	1.4
71.01378	27.8
72.99301	2.8
73.02926	2.9
75.00869	10.1
79.73292	0.9
83.01377	2.1
85.02953	8.2
89.02441	26.9
95.01384	3.4
99.00878	1.6
99.62628	0.9
101.02437	17.3
111.00857	1.0
113.02448	9.4
117.01908	1.5
117.03418	1.0
119.03507	7.1
121.05043	2.6
129.01936	1.5
133.02940	9.5
135.03000	11.1
135.04497	4.6
145.02901	2.9
147.02969	3.9
161.02440	32.8
162.02786	1.6
165.04056	8.9
165.12849	11.8
177.04062	1.0
179.03456	3.5
183.13895	42.9
184.14285	0.9
195.12090	1.0
195.13887	15.2
197.15497	1.5
209.11771	1.7
213.14957	4.7
214.19662	0.9
227.12889	18.7
255.02744	1.1
283.10275	2.9
313.13156	1.0
345.15546	10.0
357.15485	1.3
360.18796	1.1
375.20242	100.0
376.16510	0.9
376.20670	5.5
493.23080	71.9
494.22287	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	493.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65770	0.4
54.27362	0.5
56.24578	0.5
57.03439	1.3
57.41531	0.5
59.01378	6.6
61.98838	9.1
69.46375	2.2
69.46809	1.7
71.01383	5.0
72.99312	1.1
73.02944	1.4
75.00874	4.4
78.36521	0.5
79.31847	0.5
83.01382	0.7
85.02953	2.6
87.00881	1.4
89.02447	2.6
90.87949	0.6
93.03456	0.6
99.00872	1.0
101.02444	2.1
105.03449	0.9
108.02171	0.7
109.02991	1.1
109.73496	0.5
111.08150	0.5
113.02454	1.4
115.48672	0.5
117.01900	0.7
117.03492	2.0
119.05017	0.6
123.04532	0.7
125.02450	0.5
129.01964	1.4
132.02197	1.2
133.02956	33.2
134.03694	2.2
134.06841	0.5
135.03004	7.6
135.04527	16.3
137.02457	1.6
145.02939	2.9
149.06087	0.6
159.02989	0.7
161.02444	100.0
162.02788	3.3
163.04015	1.0
165.01938	0.5
165.04034	4.6
165.12845	8.3
167.07117	3.4
177.04068	2.8
177.05496	0.7
179.01938	0.6
179.03510	11.7
180.03819	0.6
183.13898	29.7
184.14291	1.0
192.87079	0.5
227.12881	17.4
228.13248	1.0
255.02748	0.6
259.42029	0.5
313.12900	9.5
339.07114	2.5
345.15527	10.5
346.15863	0.6
375.16437	1.7
375.20724	2.6
375.27454	2.0
433.07681	0.9
449.14423	0.8
475.18143	0.8
493.20682	84.8
494.20914	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	493.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13556	0.3
52.49866	0.3
54.81438	0.3
55.01884	0.3
57.03439	0.7
58.78606	0.3
59.01379	4.1
61.98829	1.9
62.98107	0.3
68.91966	0.3
69.03457	0.5
69.39213	1.9
71.01379	4.0
72.99317	0.4
73.02965	1.0
75.00868	2.8
79.59733	0.3
83.01385	0.6
85.02944	2.4
87.00861	0.6
87.07957	0.3
89.02454	1.7
90.75562	0.3
98.19933	0.5
99.00881	0.9
101.02452	2.8
105.03432	0.5
107.05043	0.6
109.02975	0.7
111.08172	0.6
113.02457	1.1
117.03480	1.3
119.03503	0.5
121.05072	0.7
129.01938	1.5
132.02126	1.9
133.02956	36.2
134.03658	1.2
135.04523	20.7
136.04866	0.4
137.02440	0.6
145.02888	1.0
147.02946	0.5
149.06110	0.5
153.01892	0.7
159.02980	0.8
161.02438	100.0
162.02773	3.3
165.04062	1.4
165.12828	2.1
177.04041	3.4
177.05530	0.6
179.03490	11.9
181.04973	0.3
183.13879	4.8
184.14122	0.3
209.11890	0.5
221.04630	0.4
227.12885	2.0
282.15915	0.3
283.10349	2.1
339.07059	1.9
345.15393	0.5
366.10544	0.4
375.16461	0.9
375.20538	0.6
375.27444	4.4
493.20776	77.6
494.21146	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	493.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.2
57.03435	0.3
59.01378	3.7
61.98829	2.2
69.32698	1.1
69.33115	0.6
71.01382	2.7
72.99278	0.2
73.02953	0.6
75.00847	0.2
85.02939	0.9
89.02445	1.3
89.03978	0.2
97.06611	0.2
101.02442	1.3
105.03439	0.6
109.02984	0.3
111.04469	0.2
113.02416	0.7
115.01855	0.3
117.03500	1.3
119.05049	0.3
125.02462	0.4
132.02153	2.2
133.02953	34.4
134.03671	0.9
135.04521	8.8
136.04803	0.2
137.02448	0.9
145.02950	0.6
151.03967	0.2
157.08685	0.6
161.02432	100.0
162.02754	3.2
163.03999	0.4
169.01465	0.3
177.04016	0.3
177.05545	0.3
179.03474	4.7
191.46260	0.2
221.04666	0.3
251.05540	0.4
281.06619	0.5
305.21310	0.4
313.23755	0.9
401.27014	0.2
431.27795	0.3
449.29016	0.7
475.30463	1.4
493.20755	75.7
494.21124	7.4
500.88553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.2
59.01376	3.3
61.98821	0.6
69.25125	1.6
71.01379	1.6
73.02935	0.3
73.58373	0.2
75.00882	0.6
83.01374	0.3
85.02967	0.9
89.02426	1.1
89.03952	0.3
96.13496	0.2
101.02437	1.2
105.03462	0.7
113.02449	0.5
117.03466	1.4
123.04520	0.3
132.02170	2.1
133.02953	36.7
134.03664	0.8
135.02985	0.4
135.04524	8.6
137.02440	0.4
145.02896	0.3
161.02434	100.0
162.02763	3.1
163.04086	0.2
177.04025	0.3
177.05640	0.2
179.03485	4.2
184.34795	0.2
221.04451	0.5
251.05679	0.3
281.06506	0.3
337.38568	0.2
339.07196	0.4
493.20755	77.5
494.21100	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	493.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
57.03430	2.0
58.00582	1.4
59.01380	52.9
61.98829	9.0
65.84025	0.9
71.01379	30.7
72.02335	0.8
72.99296	2.5
73.02913	3.0
75.00867	15.0
75.14213	0.9
82.05631	0.8
83.01367	2.6
85.02934	7.9
87.00871	1.6
89.02442	24.7
95.01358	2.7
98.19891	2.6
99.00854	2.7
101.02444	18.0
106.81663	0.9
110.47205	0.9
113.02448	10.0
117.01926	1.9
117.03429	1.8
119.03513	7.7
121.05048	1.1
125.02413	0.9
129.01910	3.2
132.02110	1.2
133.02956	29.4
134.03546	0.9
135.02995	20.9
135.04515	14.7
137.02409	1.3
145.02905	4.4
147.02942	2.6
151.04158	0.9
153.01907	0.8
161.02437	83.7
162.02766	2.6
163.04037	1.0
165.04022	13.2
165.12836	16.7
167.07056	0.9
177.03987	2.6
179.03520	10.2
183.13890	55.9
184.14186	2.5
195.13910	14.5
213.15028	5.2
227.12857	30.4
228.13150	2.0
257.08072	1.1
258.99820	0.9
265.62799	0.9
283.10092	1.3
284.03079	1.1
313.12903	4.5
339.07059	2.9
345.15512	16.0
346.15857	1.2
375.20258	98.9
376.20566	7.4
431.09570	1.0
475.18192	1.2
493.21021	100.0
494.21332	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	493.1196
Annotation	16-Oxonapyradiomycin A2
Peak:m/z	Relative Intensity
56.25042	0.9
59.01371	4.9
61.50394	1.0
61.61989	0.8
67.01905	1.0
70.27040	1.3
70.27389	3.3
71.01380	9.2
72.99308	1.4
73.02934	2.1
83.01397	1.0
85.02951	2.0
87.00876	3.4
89.02453	3.4
90.87415	0.9
91.83035	0.9
95.01359	1.4
98.19910	1.1
101.01829	0.9
101.02447	4.2
103.48260	0.8
105.92260	0.9
107.01397	7.0
109.02955	1.2
110.00063	1.0
111.00853	2.2
113.02440	3.1
116.92808	2.2
117.01927	1.5
117.05637	1.0
121.02928	1.4
123.00865	9.0
124.01666	1.7
125.02444	59.1
137.02422	2.2
139.00359	4.3
140.01163	2.1
148.96278	0.9
151.00359	4.4
153.01961	2.5
165.01819	1.6
167.03534	1.2
168.00609	10.8
169.01413	77.2
170.01805	2.3
211.02455	27.8
211.04410	2.1
212.02803	1.0
217.01482	1.0
223.02290	1.2
241.03383	1.7
271.04590	55.0
272.04913	1.9
300.99802	1.9
313.05676	30.3
314.06052	2.3
331.06683	18.8
493.11966	100.0
494.12250	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	493.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92814	0.7
57.42610	0.7
59.01381	0.9
63.13713	0.7
69.03449	2.2
69.99239	2.2
69.99632	1.3
79.01876	0.7
83.01378	1.0
95.01385	1.3
97.02975	1.3
104.85862	0.6
107.01387	1.1
107.05048	0.7
109.02975	0.7
110.06569	0.7
113.02509	0.6
122.77579	0.7
123.00879	5.8
124.01661	19.5
125.02444	48.7
126.02795	1.2
131.01453	0.7
133.02959	9.9
135.04497	6.7
136.89877	0.7
137.02448	2.6
141.01920	0.8
149.99576	32.0
151.00336	3.7
161.02446	22.4
167.03433	1.3
168.00636	65.0
169.01401	7.9
179.03438	3.6
184.99428	0.6
187.00247	1.1
211.02319	0.9
241.19962	0.6
280.78033	0.7
292.38126	0.7
313.05618	8.3
322.63763	0.7
323.07751	1.1
331.06686	71.0
332.06998	3.5
425.98004	0.7
449.10672	1.1
493.09851	100.0
494.10294	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	492.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24968	0.5
55.26037	0.5
57.03458	0.7
59.01379	10.9
59.25207	0.5
60.01712	0.6
61.98829	100.0
68.01302	0.5
71.01384	2.0
71.52133	0.7
73.02964	0.8
75.00894	0.7
77.21156	0.6
85.02982	0.9
87.00864	0.9
89.02454	1.6
93.03416	0.6
101.02466	1.3
105.69016	0.5
107.01404	0.9
120.99659	1.3
122.51239	0.6
123.00874	0.6
125.02456	4.9
132.02197	0.7
133.02972	3.9
134.03569	0.6
134.60722	0.6
135.03006	0.6
135.04532	4.3
137.02504	0.5
138.01874	0.6
139.00404	1.6
153.01939	1.7
154.02718	1.3
161.02435	11.0
165.06583	0.7
169.01418	7.9
177.05635	0.8
179.03500	2.4
203.03522	1.0
212.11049	0.6
216.26453	0.6
221.04579	0.7
227.03503	0.8
228.03778	1.4
251.05714	1.0
255.03149	1.0
256.03275	1.4
281.06766	0.8
284.03357	0.7
285.00287	0.6
285.03717	1.5
323.07648	3.0
331.06720	0.8
448.09702	1.7
461.84344	0.6
493.14233	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	493.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	7.8
64.40392	1.2
69.45985	6.7
69.46393	1.9
71.01378	4.5
79.31541	1.2
89.02467	1.4
90.31241	1.2
97.02954	1.6
98.19864	1.3
101.02466	1.6
107.01395	3.6
109.02972	1.1
111.00866	1.2
113.02435	2.8
123.00867	6.6
124.01744	1.3
125.02445	32.5
133.02951	13.6
134.03737	4.5
135.04524	72.8
137.02457	2.1
139.00330	2.2
148.05283	2.1
149.06088	12.4
151.00388	5.0
161.02437	63.6
169.01434	35.6
170.01880	1.2
177.05571	24.4
179.03496	88.4
180.03806	3.2
193.01460	1.2
203.03519	2.8
211.02473	1.7
221.04552	38.2
222.04930	1.7
251.05592	36.9
281.06653	51.7
282.06967	2.6
323.07648	7.8
331.06738	3.9
341.08734	47.6
342.09253	2.1
433.07840	3.4
444.41815	1.1
493.09882	100.0
494.10284	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	491.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72697	0.6
57.03436	1.6
58.00610	0.8
59.01378	6.1
61.98814	1.2
69.03458	0.8
69.29050	3.8
69.29456	0.8
69.31310	0.6
71.01379	1.9
71.05016	6.9
73.02954	3.2
78.95895	0.8
83.05029	2.8
85.06627	0.7
95.05003	0.8
97.06582	1.7
98.20676	1.0
109.06593	2.3
111.08155	3.7
121.06596	0.9
123.04529	0.6
123.08157	3.5
135.08125	1.2
137.09721	1.0
139.11279	3.6
139.96233	0.7
153.09213	1.1
165.09183	4.0
183.10254	28.7
184.10577	1.3
189.12808	1.2
191.24278	0.6
197.11858	1.7
202.99771	0.8
204.09224	0.5
209.15526	0.7
241.15981	0.7
242.13033	1.7
246.98657	0.8
257.15427	7.3
273.18533	1.4
279.01389	2.1
291.19669	18.4
292.19986	1.5
307.19559	0.5
307.22778	9.3
309.20786	2.1
321.20782	2.2
325.21616	0.7
345.24377	1.8
353.24765	0.8
359.25937	1.1
371.25903	0.7
373.23825	3.4
374.23868	0.7
375.01514	0.9
391.26566	1.0
407.29352	0.8
409.31516	1.1
411.29065	1.4
412.94986	0.6
425.30609	2.3
429.34210	4.2
430.34192	1.0
431.34674	1.0
437.30603	0.5
439.28052	0.8
443.31555	1.6
447.31155	1.8
455.31696	3.2
457.33243	6.7
458.33505	1.0
459.34808	2.4
461.32614	1.1
469.29245	0.7
473.32712	13.2
474.32758	1.1
491.05963	1.3
491.33862	100.0
492.34393	11.0
494.06329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3377
Annotation	Phlomishexaol A
Peak:m/z	Relative Intensity
52.92805	1.1
56.12556	1.0
57.03442	2.0
59.01352	1.2
60.99277	1.4
69.19592	1.3
69.19915	12.3
71.05028	12.6
73.02937	1.9
83.05000	2.9
85.06602	1.6
87.51264	1.2
88.98808	4.3
98.19944	3.0
119.08667	4.5
121.06574	5.2
123.08173	1.8
205.10191	3.4
205.16142	1.2
207.11955	1.2
207.13881	4.1
209.15474	2.7
221.15474	1.7
234.19101	1.2
235.11269	1.6
239.14453	6.6
252.13641	2.1
253.15907	1.4
255.17575	12.9
273.18665	3.9
329.18347	1.3
329.22617	1.7
345.25723	3.4
351.23129	1.7
363.26865	1.5
373.25116	1.5
375.27100	3.8
377.28461	3.3
389.28418	3.7
391.26340	1.2
391.30322	8.9
393.31598	7.9
405.27991	3.2
407.29770	11.7
409.31110	4.5
423.28787	2.5
425.30664	12.0
427.32092	1.9
429.29636	1.8
437.30682	1.3
439.32074	4.0
455.31543	11.3
457.33215	44.0
458.33734	3.9
459.34964	10.2
460.35504	1.4
473.32721	40.0
474.32925	4.9
491.33817	100.0
492.34247	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	491.3377
Annotation	Phlomishexaol A
Peak:m/z	Relative Intensity
56.58578	0.4
59.01376	100.0
60.01726	0.7
63.87952	0.5
71.05019	0.8
93.27067	0.4
93.76670	0.5
96.89563	0.5
97.18599	0.6
137.32253	0.5
189.12859	1.3
239.49022	0.6
284.01456	0.6
345.24438	1.0
400.33591	0.6
455.31650	1.0
461.33517	0.6
473.32645	2.4
491.33878	15.4
492.34311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
58.00589	0.7
59.01383	4.6
61.98835	1.5
69.03454	0.6
69.89424	0.6
71.01385	1.9
71.05022	7.0
73.02940	6.1
83.05042	1.3
85.02959	1.9
85.06567	0.9
87.04530	1.4
95.05037	0.7
97.06617	1.6
98.45930	0.5
99.04552	0.7
109.06596	1.7
111.08232	0.5
117.03432	0.6
119.08696	1.2
121.06605	1.7
123.08192	2.1
137.09770	0.6
143.14142	0.6
145.02951	3.0
164.07178	1.3
169.12463	0.7
197.95760	0.6
207.13863	5.8
209.15553	0.9
215.14513	0.7
220.14629	0.8
222.02391	0.6
229.12291	0.6
239.14494	2.4
245.15506	0.7
252.13734	1.4
255.17572	4.4
257.15631	2.3
273.18488	2.8
279.21182	0.6
289.18130	2.0
299.16629	0.9
303.19952	0.6
305.17654	0.9
305.21097	0.7
309.18570	0.8
313.22055	0.6
319.19424	1.1
321.20682	3.2
325.21616	0.8
345.24728	2.2
351.27310	0.8
359.26080	1.8
361.23691	0.7
363.26990	1.3
373.24042	2.3
374.19788	1.0
375.25690	0.9
389.27640	0.8
399.25482	0.9
407.29633	2.5
411.29144	1.8
425.30740	2.8
429.29453	3.4
443.31619	2.0
447.30920	1.5
455.31595	6.9
456.32071	0.7
457.33710	3.7
458.33957	0.9
459.35059	1.7
473.32755	36.3
474.33221	3.4
491.33899	100.0
492.34222	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	491.3013
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
57.69148	0.8
59.01382	9.0
61.98799	3.0
69.03448	1.8
69.28143	6.0
71.01335	2.6
71.05019	15.4
73.02918	1.3
76.72259	0.7
83.04974	2.3
87.00803	0.9
97.06527	1.5
109.06591	9.6
121.06532	1.5
123.08101	0.9
125.06083	19.1
135.04419	0.9
141.01918	0.8
143.07123	10.7
205.15929	1.3
241.15764	1.0
281.18677	0.9
287.19754	0.9
311.19803	2.6
313.17865	2.3
329.21210	57.6
330.21490	5.6
335.22049	1.8
339.22974	1.9
345.24130	3.2
347.22290	4.5
349.20886	0.9
355.18802	1.2
357.24332	5.6
367.19012	1.7
371.22195	7.9
372.22333	1.0
375.01123	3.4
383.22250	7.7
401.22690	1.5
411.28656	3.0
425.30548	1.0
429.29620	3.1
429.34396	1.4
437.26050	1.3
438.36548	0.8
439.24442	0.9
447.30313	1.2
455.22006	1.2
455.27908	25.9
456.27570	2.2
473.28699	41.3
474.29123	5.1
491.06451	4.6
491.29724	100.0
492.29883	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	491.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98800	1.1
69.36430	8.3
69.36831	2.6
71.04999	3.3
78.95901	2.3
81.06561	1.2
83.04988	1.2
97.06557	1.7
103.04372	1.2
109.06565	1.5
133.06612	1.5
143.43158	1.2
145.08636	1.4
177.12698	1.3
183.10086	1.2
209.11819	1.2
295.22659	3.3
345.24310	6.0
371.25870	1.3
447.37698	5.7
473.32864	12.4
491.33850	58.3
492.27216	2.2
492.33884	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.2
59.01377	6.8
61.98830	13.3
62.00047	0.6
69.03457	0.9
69.18319	6.8
71.01385	4.2
71.05016	0.6
72.25469	0.6
72.99307	0.9
73.02946	1.8
75.00871	1.5
77.00252	0.5
85.02946	1.2
89.02438	2.0
93.03439	0.6
97.06557	0.8
98.19923	1.2
101.02434	1.5
109.02918	1.2
109.06644	0.7
117.01902	0.7
117.05653	0.6
119.03551	0.7
119.05028	2.2
123.08176	1.2
125.02464	1.1
125.09764	3.2
127.11292	2.6
129.65944	0.6
133.02936	6.2
135.02997	0.8
135.04544	3.5
137.09702	1.9
141.09175	1.1
144.51447	0.7
145.02971	1.1
151.03949	0.6
153.01968	0.6
153.09100	0.9
153.12894	0.7
155.10786	2.2
161.02426	15.3
162.02814	1.1
163.04030	2.2
164.46384	0.6
165.12825	2.4
167.10701	0.8
171.10268	11.0
179.03497	2.4
181.32062	0.6
183.13895	4.3
185.11829	5.3
199.13412	2.9
227.12819	5.1
229.14615	1.0
230.15176	0.8
251.05472	0.6
252.06058	0.6
258.83893	0.6
281.06644	0.6
343.24719	0.7
355.24915	1.8
371.24493	1.4
373.25925	100.0
374.26334	9.1
404.47623	0.7
431.25397	0.9
457.33231	1.5
491.19275	10.2
491.28522	27.6
491.34668	2.1
492.19400	0.9
492.29224	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	491.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.6
57.85306	0.4
59.01379	5.1
61.98828	9.3
69.03455	1.3
70.22960	0.5
71.01374	3.3
71.05012	1.0
71.53399	0.7
72.99283	0.5
73.02936	1.7
73.62611	0.5
75.00871	1.3
83.04984	0.5
85.02953	1.3
87.04495	0.8
87.12093	0.5
89.02430	1.3
91.05488	0.4
93.03442	0.4
99.00864	0.6
101.02432	1.4
106.06668	0.6
111.08115	0.9
113.02397	0.8
117.01918	1.0
117.29830	0.4
119.03480	0.6
119.05009	0.7
119.08661	0.5
121.02924	0.6
123.08148	1.2
125.02412	1.0
125.09735	3.9
127.11295	1.6
131.03513	0.4
132.54782	0.5
133.02936	4.3
135.02972	0.9
135.04518	1.9
137.02420	0.6
137.09692	1.8
141.09213	1.0
145.02911	0.8
149.04489	0.6
153.01941	0.9
153.09238	1.2
155.10785	2.2
161.02446	10.7
163.04005	2.0
165.12817	1.3
167.10782	0.7
171.10263	10.3
179.03468	1.8
183.13879	2.5
185.11804	4.4
199.13382	3.0
201.14978	0.5
227.12823	3.3
229.14610	0.7
230.15274	0.7
281.06506	0.7
327.21747	0.8
355.24774	2.4
371.24173	1.0
373.25903	100.0
374.26276	7.5
425.30603	0.6
431.25610	1.2
455.31442	0.6
456.26245	0.5
457.33289	1.4
459.34683	0.6
473.32803	1.2
491.19162	5.8
491.28549	32.7
491.33505	2.2
492.28925	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2496
Annotation	Lurasidone
Peak:m/z	Relative Intensity
55.01863	1.4
57.03453	5.3
59.01381	33.8
61.98830	5.8
69.03455	2.9
71.01378	26.1
71.05019	3.5
73.02942	7.3
75.00861	1.9
83.01370	2.8
83.05035	1.9
85.02936	9.0
86.89413	1.0
87.00885	2.0
87.04510	1.5
87.05317	1.0
89.02435	11.0
95.01398	1.3
97.06564	1.6
98.20675	2.1
99.00875	3.1
101.02434	17.8
103.95560	1.2
108.02158	1.2
110.23143	0.9
111.08161	10.1
113.02443	9.3
117.03493	2.0
119.03510	2.9
119.05021	9.2
119.07095	2.5
121.02955	13.0
123.08173	2.2
125.02444	1.0
133.02946	2.1
135.03003	1.6
135.04529	5.9
135.88860	1.2
137.02393	1.1
145.02988	6.6
153.01863	1.5
159.02927	1.4
161.02426	4.9
161.04514	7.4
163.04002	8.6
165.12845	59.8
166.13214	2.5
171.13864	1.1
183.02983	2.8
183.13895	63.3
184.14218	3.1
197.15392	2.2
207.10246	1.1
209.11794	6.5
227.12868	8.0
235.11798	1.1
271.66544	1.2
277.21713	2.6
281.12411	25.4
329.23312	2.4
344.42871	1.1
369.15430	2.4
373.25974	12.5
430.90936	1.2
447.27441	1.4
484.12769	1.1
491.18881	14.1
491.24963	100.0
491.33588	25.6
492.18945	1.7
492.25266	10.2
492.32727	1.7
500.90576	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1929
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
55.01870	0.8
57.03444	0.4
58.00591	0.5
59.01378	11.5
61.98820	0.3
65.00330	0.3
70.34326	1.0
71.01379	7.9
72.99305	0.8
73.02940	1.7
73.55994	0.3
83.01385	1.7
85.02956	3.3
86.00098	0.6
87.00882	1.6
89.02441	3.1
93.03451	0.7
95.01384	1.1
95.79528	0.2
99.00867	0.8
101.02436	4.7
107.01382	1.1
109.02970	1.7
111.00887	0.3
111.67091	0.3
113.02458	2.3
113.74480	0.3
119.03474	0.6
121.02164	0.4
121.02966	5.8
125.02384	0.4
133.02928	0.8
133.85641	0.3
134.03810	0.3
135.02942	0.4
135.04530	4.9
137.02423	0.4
139.00391	0.3
145.02943	0.7
147.04486	0.7
151.00366	4.9
152.01105	1.3
152.04945	0.3
153.01961	0.6
159.04536	2.2
160.01740	0.4
161.02440	1.6
163.03995	0.3
167.03503	1.7
175.00388	0.3
209.06064	0.3
211.04001	0.4
212.04782	0.3
225.05609	0.3
225.08949	0.3
227.03514	1.8
227.07104	0.6
228.03906	1.3
229.04019	1.6
235.07626	0.4
238.06316	0.4
239.07272	0.3
240.04320	1.4
241.08595	0.3
251.07083	0.4
252.07625	0.4
253.08661	0.8
254.05807	1.2
255.03030	3.3
255.06590	2.3
256.03366	2.6
256.07196	0.6
257.03506	3.4
263.07037	0.9
264.07581	0.3
268.07397	3.0
269.08133	5.3
270.08832	2.5
271.09607	0.7
281.08176	11.7
282.08740	1.6
283.09729	5.7
284.03198	4.5
284.10199	0.3
285.03699	5.8
286.03879	7.6
287.05554	5.3
296.10648	1.8
297.11224	0.9
299.09235	5.1
300.09912	1.9
302.07993	1.2
314.11548	9.4
315.12299	5.0
323.07880	0.3
328.09473	0.5
329.09735	0.5
329.13901	10.9
330.13977	0.6
334.91183	0.4
343.11719	2.9
344.12158	0.5
356.12973	0.3
357.13458	0.8
449.09729	0.3
461.14664	2.6
471.17004	0.3
476.16898	8.0
477.17023	0.7
485.47574	0.3
491.11478	8.6
491.19150	100.0
492.11844	0.8
492.19443	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	491.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03447	3.1
58.00597	4.5
59.01377	100.0
69.03456	5.2
69.84663	5.5
69.86909	1.1
71.01382	73.8
72.99308	3.3
73.02934	11.0
73.29971	1.0
77.69999	1.1
81.03443	3.1
83.01399	5.6
85.02953	19.5
87.00866	8.7
89.02444	82.3
95.01392	4.8
97.02946	7.3
99.00882	4.5
99.04544	1.3
101.02441	58.8
111.00886	2.1
113.02447	30.0
117.03478	1.5
119.03500	41.2
123.00899	1.7
123.43581	1.3
125.02442	32.2
125.03335	2.0
131.03488	7.8
131.66748	1.1
133.02974	5.9
135.04547	2.4
139.04030	2.6
143.03485	9.9
145.02945	4.7
149.04553	3.4
153.01929	2.9
161.02446	19.2
161.04529	14.2
167.03329	1.3
167.10762	48.8
168.11099	2.3
179.03430	1.2
179.03918	1.3
179.05606	19.9
183.13918	1.8
221.06674	20.8
227.12766	1.7
245.06680	3.3
253.37144	1.1
263.07687	7.3
323.09814	20.9
375.27490	2.7
383.10559	1.2
425.30701	1.4
457.33173	2.5
473.32538	2.5
491.12247	2.1
491.19238	12.7
491.26138	1.8
491.33987	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	491.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53448	4.4
55.01878	6.3
59.01377	54.4
61.98827	6.1
65.00313	6.3
66.15778	4.3
69.47813	29.7
71.01385	69.3
72.99290	5.6
73.02937	22.9
75.00856	6.9
83.01408	12.3
85.02950	29.9
87.00871	19.0
88.98791	9.7
89.02449	21.8
93.03460	9.6
95.01378	9.4
97.02973	6.1
98.19909	10.5
99.00879	13.2
100.29238	5.9
101.02436	58.7
109.02956	5.3
111.00861	11.5
113.02441	35.3
117.03478	6.5
119.03500	8.4
121.92013	4.9
123.00808	8.7
123.04523	7.8
125.02445	34.6
133.02969	11.0
135.04514	8.1
137.02437	7.3
139.00404	9.3
143.03499	9.9
145.02905	10.0
149.02533	5.6
149.93614	4.8
153.01909	9.2
159.03014	5.6
161.02490	28.0
161.04552	32.0
163.00378	6.5
163.04047	8.4
165.01883	4.9
169.01389	23.9
175.04008	6.1
177.01778	6.2
181.01436	10.8
189.01920	11.0
191.03433	11.6
201.01932	8.5
201.60428	5.3
203.03581	13.6
213.54924	4.9
217.01381	7.7
223.33626	5.1
229.01355	14.7
230.02054	6.2
231.02849	8.9
245.00859	6.4
247.02547	10.9
249.04041	6.5
257.00931	8.0
269.10379	33.6
273.00299	7.2
275.02032	24.1
276.02454	5.8
277.03006	4.8
284.03049	5.6
285.04071	6.4
285.07657	12.0
300.99878	42.7
302.00345	4.8
391.03149	8.7
431.15601	100.0
473.07211	6.6
491.11438	11.9
491.17810	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	491.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19582	0.7
59.01391	4.3
67.89224	0.9
69.57030	3.3
69.57435	1.8
71.01376	4.0
72.99295	1.0
73.02948	3.4
75.00867	7.9
85.56672	0.7
87.00884	1.8
89.02441	17.5
98.20633	1.6
101.41647	0.7
103.04005	1.0
130.99867	1.2
131.03493	6.0
143.36378	0.8
149.04559	100.0
150.04869	1.9
218.47401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	28.8
60.99306	12.5
61.98829	7.2
62.37264	4.1
71.01380	10.8
71.05018	14.8
73.02923	6.8
75.00876	5.8
88.98807	71.3
121.06499	5.2
127.25942	4.7
135.02975	6.6
160.70325	4.9
161.02405	6.0
209.02364	4.6
255.17380	5.0
295.20325	4.5
375.01279	5.1
385.27225	4.7
388.61465	5.0
391.30151	4.5
393.31427	5.4
405.07709	14.2
407.29852	10.4
429.29938	6.9
457.33377	11.4
473.32742	88.4
474.33069	10.7
490.35242	13.2
491.06277	8.4
491.34729	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	491.1195
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
59.01372	1.3
71.01371	0.8
71.29732	1.3
75.63775	0.7
81.03436	1.3
85.02940	1.1
92.55463	0.6
101.02444	0.8
102.27539	0.6
108.02177	45.2
109.02956	37.5
110.03261	0.9
113.02452	1.0
121.02940	1.1
123.00854	0.8
123.04523	1.0
132.02187	3.7
133.02991	3.4
134.03741	5.7
135.00861	1.0
135.04449	1.8
139.35300	0.7
141.20555	0.7
145.02943	1.3
149.06113	1.1
151.04027	0.9
152.01147	50.9
153.01938	31.2
154.02322	0.8
160.01654	22.9
161.02446	14.8
163.04085	0.6
175.03986	16.8
178.28751	0.7
179.03503	2.1
193.05070	4.3
195.02937	0.7
207.56381	0.7
243.06609	1.2
255.03040	1.3
256.03442	0.8
257.03516	1.1
284.03210	1.7
285.03711	2.8
286.03967	2.2
287.04596	1.3
315.07227	22.4
316.07559	1.1
323.07684	4.5
337.09293	1.5
339.11093	1.0
349.43704	0.7
396.05878	0.8
447.13107	1.4
459.09888	0.7
465.92038	0.6
489.44205	0.9
491.11905	100.0
492.12216	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	491.1194
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
50.12611	0.8
64.82803	0.9
69.16367	4.7
69.16796	3.3
71.01393	2.0
81.03458	1.0
85.02943	1.0
89.14134	0.7
90.42689	0.8
95.01345	0.8
108.02174	50.7
109.02958	43.7
113.92398	0.8
115.12270	0.8
118.57817	0.7
123.00895	1.2
123.04521	1.3
132.02182	5.2
133.02956	5.3
134.03743	7.8
135.00885	1.4
135.04478	2.5
145.02972	1.8
149.06090	1.3
152.01155	56.3
153.01935	36.8
160.01654	26.3
160.02686	0.6
161.02454	16.1
163.04243	0.8
165.01796	0.9
167.03464	1.1
175.03987	21.1
179.03468	2.3
193.03496	0.9
193.04991	4.5
226.49139	0.7
256.03448	1.6
257.03448	1.0
284.03235	1.5
285.03995	1.2
286.03903	3.1
287.04541	2.0
293.15924	0.9
315.07196	23.0
323.07736	3.7
337.09213	1.1
339.10913	1.5
447.12961	1.6
491.11902	100.0
492.12299	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	491.1195
Annotation	Burkinabin C
Peak:m/z	Relative Intensity
59.01379	10.3
59.42375	1.3
71.01421	4.2
71.05015	11.9
75.00855	1.5
83.01389	1.4
85.02953	2.7
89.02410	1.5
91.05502	1.1
93.03448	1.5
95.05046	1.8
96.96023	3.7
97.02957	2.6
101.02457	3.3
108.02168	20.4
109.02946	3.0
113.02431	2.3
117.03468	8.2
119.05026	4.1
121.02987	1.9
123.04546	9.4
124.10062	1.3
132.02168	2.2
133.02965	33.3
134.03716	2.8
135.04523	37.6
136.04944	1.4
137.02443	2.4
139.00410	1.3
139.04019	71.0
140.04308	1.7
145.02959	22.7
149.06093	1.7
152.01152	46.2
152.02400	2.2
161.02440	100.0
162.02809	3.9
163.04002	6.0
167.03487	42.4
175.03981	2.0
177.05545	5.9
179.03500	26.6
181.01463	3.4
183.03035	1.5
221.04509	7.9
229.04921	1.4
242.06947	1.2
265.07269	2.4
280.05981	1.7
296.19034	1.2
307.08276	5.2
323.07700	99.5
324.07852	5.7
443.13345	2.8
447.13663	2.7
491.12012	47.4
492.12479	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	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
59.01374	5.0
61.98826	3.3
65.03955	6.7
67.01891	3.0
69.03460	0.9
69.62286	0.6
70.05773	0.7
71.01388	2.6
71.53294	1.3
72.82391	0.7
72.99319	1.2
73.02968	1.3
75.00854	1.0
79.01896	1.7
85.02945	1.4
89.02452	1.0
91.01876	1.8
95.01364	0.9
101.02441	1.3
107.01399	2.5
108.02171	2.3
109.02950	70.3
110.03281	1.5
113.74513	0.7
117.03412	1.4
119.05023	1.5
125.02446	2.6
132.02164	3.6
133.02951	13.1
134.03743	11.6
134.10414	0.7
135.00876	13.8
135.04524	7.9
135.77005	0.7
137.02452	2.0
139.04013	1.0
141.49190	0.7
145.02956	0.9
147.04584	0.8
149.06081	3.4
151.00356	0.7
151.04088	0.6
152.01141	3.6
153.01932	100.0
154.02223	1.7
157.25699	0.7
160.01651	24.2
161.02438	38.6
162.02773	0.9
163.03984	1.2
166.02763	0.8
167.03484	3.9
169.01401	0.8
175.03996	33.2
176.04387	1.1
177.05603	2.3
179.03468	6.9
181.05052	1.6
183.13852	0.9
187.00369	0.8
193.05051	8.7
221.04474	2.1
251.05592	2.8
269.17361	0.6
271.04568	1.2
281.04025	0.7
281.06464	3.6
315.07181	6.0
322.63928	0.7
323.07654	5.5
337.09305	18.8
338.09738	1.5
341.08740	1.5
417.15515	0.8
447.13065	4.3
459.09323	1.9
491.11905	41.2
491.18298	1.7
491.28305	2.1
491.34647	1.1
492.11993	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	491.1192
Annotation	Burkinabin C
Peak:m/z	Relative Intensity
57.03452	0.9
59.01376	4.5
60.82378	0.4
61.98827	1.0
65.00312	0.6
69.41329	3.0
71.01374	1.4
71.05023	0.4
75.00868	0.6
80.34431	0.4
81.03450	4.1
83.01376	2.2
85.02967	0.8
89.02444	0.7
95.00549	0.4
95.01385	0.4
95.05019	0.9
97.02943	0.7
98.19863	0.7
101.02458	0.7
101.09090	0.4
107.01418	0.4
114.76286	0.4
119.04997	0.9
121.02939	0.4
123.04521	27.7
124.04871	0.9
125.02452	7.4
132.02217	0.7
132.68307	0.4
133.02960	4.1
135.04526	4.9
137.02426	1.1
139.04022	1.1
145.02977	1.4
149.02420	1.2
149.06015	0.6
151.00359	0.9
153.01947	0.6
161.02435	12.9
162.02785	0.8
163.04041	1.0
165.01930	2.5
167.03488	100.0
168.03828	3.0
175.00291	0.7
177.05565	1.0
179.03491	2.8
181.05103	0.7
183.02943	3.5
191.03505	4.5
205.05170	0.5
209.04596	0.9
221.04567	1.3
233.04614	1.2
323.07672	6.5
324.07837	0.6
345.08289	1.1
491.11899	17.9
491.19022	1.7
491.29587	0.7
492.12360	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3587
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
58.00583	0.6
59.01373	1.6
60.99308	4.3
64.76414	0.4
71.05022	1.7
71.53387	0.4
73.02921	0.4
103.87301	0.3
255.02992	0.7
259.12836	0.4
284.03363	1.0
285.04083	1.0
371.25864	0.6
379.30118	1.4
395.33200	3.7
396.33340	0.4
407.32828	0.5
409.35153	0.6
411.32675	7.1
411.37411	0.5
412.33276	0.6
425.34335	4.2
426.34900	0.5
427.35931	1.5
443.35318	1.1
445.36261	0.5
455.34741	0.6
471.30756	0.9
471.35452	0.8
489.35959	100.0
490.36420	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01379	4.2
60.92413	0.4
61.80557	0.6
65.51450	0.5
66.41763	0.4
70.64001	1.4
71.01393	0.5
71.05017	3.4
73.02980	0.5
83.05032	0.7
90.97829	0.5
97.06567	0.8
99.04522	2.1
109.06594	1.4
125.06079	0.9
143.07117	1.6
151.07736	0.6
214.90247	0.5
219.69478	0.5
227.03496	0.6
255.02988	0.6
271.17068	0.9
273.18478	0.7
275.20197	1.4
284.03256	1.4
285.03946	1.0
287.20114	1.0
305.21176	4.0
319.19379	0.6
329.21133	2.4
345.24344	14.0
346.24664	1.1
359.26010	0.7
363.25549	0.6
387.25281	1.7
399.25195	2.6
405.26202	0.6
417.26236	0.8
427.27698	0.8
445.29077	2.6
453.30203	0.6
471.30923	10.4
472.31946	0.7
489.36447	100.0
490.36697	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	489.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01379	4.2
60.92413	0.4
61.80557	0.6
65.51450	0.5
66.41763	0.4
70.64001	1.4
71.01393	0.5
71.05017	3.4
73.02980	0.5
83.05032	0.7
90.97829	0.5
97.06567	0.8
99.04522	2.1
109.06594	1.4
125.06079	0.9
143.07117	1.6
151.07736	0.6
214.90247	0.5
219.69478	0.5
227.03496	0.6
255.02988	0.6
271.17068	0.9
273.18478	0.7
275.20197	1.4
284.03256	1.4
285.03946	1.0
287.20114	1.0
305.21176	4.0
319.19379	0.6
329.21133	2.4
345.24344	14.0
346.24664	1.1
359.26010	0.7
363.25549	0.6
387.25281	1.7
399.25195	2.6
405.26202	0.6
417.26236	0.8
427.27698	0.8
445.29077	2.6
453.30203	0.6
471.30923	10.4
472.31946	0.7
489.36447	100.0
490.36697	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	490.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11253	1.4
57.03465	1.9
59.01379	100.0
59.04400	1.1
59.46477	1.3
60.01711	4.1
61.98819	5.3
65.00333	2.3
66.90609	1.2
71.01389	6.5
71.52802	1.5
72.99281	1.3
73.02953	2.1
75.00887	1.4
77.62386	1.1
81.03468	1.4
83.01355	1.6
85.02958	3.2
87.00916	1.9
89.02438	3.6
95.01391	2.3
95.66676	1.1
97.02959	1.7
99.00873	2.7
101.02431	5.2
106.06612	1.3
107.01414	1.8
108.02169	1.3
109.02938	2.1
111.00869	3.3
113.02451	3.1
117.03464	2.5
119.05036	2.1
121.02958	2.1
123.00906	2.6
123.04529	1.9
123.79686	1.1
125.02441	4.5
133.02948	12.9
135.02991	2.3
135.04515	5.0
137.02455	2.3
139.00385	4.9
145.02983	6.5
147.04494	3.9
149.02496	1.2
150.05605	1.5
153.01968	1.6
161.02446	29.8
161.04468	2.2
163.00256	1.6
163.04002	3.6
163.92223	1.4
164.98325	2.4
165.01929	3.0
166.99950	1.5
168.00542	1.5
169.01424	6.4
173.02444	3.2
175.03931	2.7
177.01932	2.6
177.03577	1.1
177.05643	1.6
178.99873	1.9
179.03423	3.0
181.01418	4.3
188.70842	1.3
189.01939	5.9
190.02739	3.7
190.81770	1.4
191.03496	10.5
191.05312	1.9
192.03853	1.5
201.01924	2.6
203.03436	4.0
211.02446	2.8
212.02765	2.2
214.99889	1.5
215.03448	1.8
217.01399	4.8
219.02945	4.4
221.00877	1.9
226.99870	1.7
227.03506	1.8
229.01454	6.0
231.02905	1.4
233.00984	1.6
245.00876	4.2
247.02495	21.9
255.03004	1.9
257.00967	1.9
259.02399	2.1
261.00339	2.8
271.04572	2.4
273.00421	8.4
275.01990	2.8
282.99075	1.8
283.11591	1.7
285.00320	3.1
291.01419	1.8
297.04370	1.3
300.99872	8.5
337.15259	1.5
363.71664	1.3
381.02847	1.9
406.21017	1.3
407.00436	1.7
415.02322	1.4
424.03528	2.2
425.01636	3.3
429.17377	1.9
430.17841	3.1
443.02512	3.0
447.13077	8.0
450.99265	9.3
452.03088	2.1
456.01672	2.2
465.02530	1.2
473.10489	1.4
489.15967	3.3
490.16440	4.9
491.11282	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	489.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10786	1.4
61.54024	1.3
69.33266	1.3
69.33436	2.1
69.33839	8.4
71.05040	1.4
100.11139	1.2
204.05113	1.3
352.47318	1.2
401.34421	2.0
427.35968	9.3
443.35284	2.2
445.36893	39.3
446.37247	3.1
489.35980	100.0
490.36533	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	489.3584
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
50.09219	0.3
58.08738	0.3
59.01380	0.9
64.43062	0.3
69.27065	2.2
71.01382	0.6
71.05011	2.0
73.02963	0.9
77.16621	0.3
89.02476	0.4
91.56309	0.2
101.02422	0.3
107.10072	0.3
109.06612	0.5
147.08540	0.3
163.11279	0.3
174.30943	0.3
203.85191	0.3
207.21394	0.3
211.26276	0.2
226.66273	0.2
250.94437	0.3
357.23013	0.4
387.25699	0.3
427.32416	0.8
429.33719	6.7
430.34085	0.5
468.77335	0.3
471.31012	1.4
489.36060	100.0
490.36386	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	489.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65482	0.6
57.03433	1.1
59.01357	2.6
61.12822	0.6
61.98794	0.6
71.01387	0.7
71.05025	4.9
73.02942	2.0
74.02557	0.6
87.04517	1.0
117.15038	0.7
118.53052	0.6
132.77771	0.6
161.09483	0.6
162.15569	0.7
226.66832	0.7
245.15434	0.8
248.48647	0.6
255.02983	2.2
259.99252	0.6
284.03363	1.4
285.03970	2.7
353.28442	0.7
368.33572	0.8
389.30936	0.8
425.30457	0.8
427.31979	2.1
429.33884	4.7
443.31247	0.9
453.29898	1.4
471.30960	5.0
489.36633	100.0
490.35800	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82581	1.2
57.03443	3.3
59.01379	8.5
61.98840	1.5
63.54932	1.2
65.23156	1.2
69.32272	8.9
69.32690	2.3
71.01390	2.1
71.05013	11.8
72.32329	1.1
73.02936	7.4
75.70923	1.1
78.95901	1.3
87.04508	1.8
93.81392	1.0
97.06563	1.4
101.04395	1.0
109.06594	2.6
125.06078	1.4
134.03767	1.2
153.09311	1.3
255.03053	1.5
284.03275	3.7
285.04007	4.5
298.62305	1.2
325.21545	1.6
345.24298	4.0
353.28384	2.4
387.25397	2.3
391.30365	1.6
399.25003	1.7
405.26587	3.3
409.31165	1.6
411.29254	1.5
417.26288	3.8
423.28827	1.5
427.32166	3.9
429.33987	8.3
441.30115	1.8
443.31445	3.0
445.33432	2.4
453.30075	2.0
459.30872	2.6
471.31085	17.7
472.31531	2.9
489.31741	61.8
489.35907	100.0
490.32043	5.2
490.36118	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	489.3221
Annotation	Homaline
Peak:m/z	Relative Intensity
58.00613	1.0
59.01373	1.6
71.05020	4.4
73.02948	11.6
83.04987	1.0
159.38698	1.2
229.59985	1.1
281.58606	1.1
327.19794	1.1
337.39960	1.1
353.28406	6.5
375.25751	1.7
377.28491	3.4
379.29944	1.5
383.29590	2.3
407.29492	10.6
411.29077	1.5
427.32077	8.2
429.33569	5.5
441.29794	1.4
443.31506	4.6
459.31091	1.6
471.31308	7.8
489.32233	100.0
489.35938	47.3
490.31509	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.8
57.03453	2.3
59.01381	100.0
60.01712	0.7
69.62464	4.3
71.01384	48.5
71.05035	2.5
72.99311	2.2
73.02948	25.6
75.00884	1.8
83.01390	6.3
85.02950	18.3
85.63078	0.7
87.00880	2.6
89.02444	12.2
95.01401	3.9
97.02973	2.4
97.06569	1.1
99.00887	18.9
101.02444	26.6
102.02799	0.8
106.49976	0.5
111.00889	1.8
113.02452	20.5
119.03519	2.0
123.17229	0.7
125.02450	2.6
126.43449	0.5
128.68791	0.7
129.01945	1.5
131.03471	3.5
143.03491	2.2
145.02914	0.7
151.04034	0.8
159.02963	3.8
161.04561	16.9
161.05916	0.9
165.12851	1.5
183.13939	1.5
191.05617	2.0
201.04077	1.1
215.42595	0.6
227.03436	0.8
227.12892	1.0
241.52829	0.7
255.02852	2.4
284.03177	2.2
285.03937	1.9
293.13995	0.7
297.16846	1.6
315.18103	17.9
316.18472	1.4
323.20203	1.3
357.19376	3.8
381.24475	1.2
387.25327	1.5
407.25519	1.3
408.93619	0.8
423.28882	2.1
429.21219	2.0
439.24808	1.0
447.22321	54.1
448.22449	3.8
453.29929	3.6
471.31323	5.6
472.31799	0.7
489.23367	67.3
489.31970	10.1
490.23642	5.2
490.32745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01692	1.0
61.98833	3.3
71.01381	9.7
71.52065	1.0
73.02944	4.3
77.73969	0.6
83.01404	1.6
85.02940	4.0
85.32709	0.6
87.00883	1.9
89.02436	5.6
89.02850	0.5
93.03473	1.5
93.63113	0.6
95.01410	1.2
99.00911	1.0
99.02231	0.6
101.02437	9.3
103.04033	1.8
113.02434	3.4
119.03505	2.3
119.05063	1.0
121.02953	1.1
123.00901	0.8
125.02453	3.5
131.03529	1.1
133.02930	0.8
135.03088	0.8
135.04515	0.6
135.16344	0.7
137.02437	1.2
139.04010	0.7
143.03506	1.7
145.03015	1.8
145.05032	0.6
150.05615	0.7
161.02452	3.8
161.04585	1.5
162.02818	1.4
163.04102	1.4
163.06129	7.2
168.00749	1.0
169.01401	3.0
173.04520	3.6
174.57153	0.6
175.02496	0.6
181.01347	0.9
191.03648	1.3
191.05643	3.5
191.07220	1.6
205.07242	2.7
211.02490	2.5
217.01434	0.7
221.07909	0.6
227.03589	0.8
247.02483	1.1
271.04504	3.4
283.11978	2.5
284.03241	1.2
285.04169	1.1
295.10995	1.6
300.99863	1.6
337.09146	1.3
337.15408	1.1
369.19308	1.4
371.13052	1.5
387.20334	4.2
426.15231	2.3
429.16852	3.2
429.22412	1.5
437.15125	0.6
458.21552	0.6
461.52594	0.6
471.18674	3.3
477.43958	0.6
489.16348	4.8
490.16727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01374	4.3
61.76657	0.3
61.98830	1.6
67.71494	0.3
69.03442	0.4
69.33442	2.1
71.01390	2.0
73.02962	0.6
75.00893	0.3
83.01398	0.3
85.02943	0.7
89.02452	0.8
93.03475	0.7
98.20725	0.4
99.00890	0.3
101.02453	1.0
113.02452	0.9
117.03468	27.8
118.03811	0.9
119.05019	11.2
121.02938	3.8
122.03802	0.3
123.04554	0.7
125.02456	0.8
130.41866	0.3
132.02193	0.3
133.02950	3.1
133.06619	0.5
134.03316	0.6
135.04515	3.2
136.04837	0.5
145.02951	100.0
146.03320	3.2
151.04004	0.8
158.03580	0.4
159.04504	0.7
161.02434	7.0
161.06064	0.7
162.02776	2.4
163.02933	0.9
163.04039	8.4
164.04353	0.5
165.05586	0.8
165.12819	0.3
166.06346	17.4
167.06993	0.8
169.01405	0.3
175.03952	0.6
177.02071	0.3
177.05563	0.6
179.03502	1.2
181.08681	8.1
182.09007	0.3
185.06090	0.3
187.04027	0.9
193.05045	0.5
205.05064	0.6
223.17017	0.7
227.03539	2.9
229.04965	0.6
247.06204	0.3
255.02960	4.8
256.03488	0.5
257.04520	0.4
267.15976	2.1
283.10205	0.4
284.03262	7.4
285.04016	7.3
307.08221	24.3
308.08572	1.9
309.17459	0.4
323.07733	0.7
396.74796	0.4
488.34497	0.5
489.10803	3.2
489.17648	35.4
489.32654	3.0
490.10928	0.4
490.17719	3.0
496.10345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98826	3.8
66.24573	0.6
67.74558	0.6
68.90039	0.6
69.94360	3.0
71.01393	5.4
73.02956	2.0
73.31087	0.7
75.00888	0.9
77.49694	0.6
80.52936	0.6
83.01386	0.9
85.02956	2.6
85.56846	0.7
87.00880	1.1
89.02461	2.4
93.03491	1.1
96.96056	1.1
97.02956	0.8
98.20023	1.0
99.00898	1.0
101.02441	4.7
107.01423	0.7
109.02931	0.8
113.02445	3.3
119.03535	1.2
119.05045	1.9
121.02982	1.0
125.02387	3.3
133.02966	1.1
145.02968	1.3
161.02466	2.9
161.04578	1.8
162.02815	1.0
163.04015	1.3
168.00587	1.6
169.01482	2.9
173.04599	2.0
175.03944	0.8
181.01416	0.8
191.05655	1.6
191.07263	1.1
201.02022	0.7
207.75156	0.6
210.37823	0.7
211.02496	2.7
217.01431	0.9
219.02972	0.9
219.24422	0.6
229.01341	0.8
238.53377	0.7
245.00960	0.6
247.02397	1.3
271.04608	2.7
283.11826	3.7
295.10904	1.1
301.00003	1.7
337.09360	1.0
337.15244	1.3
371.12683	1.0
387.20352	2.1
390.24210	0.9
397.11899	0.7
420.49753	0.7
426.14896	2.3
429.17169	5.2
471.18811	3.3
489.16565	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	489.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54156	0.9
59.01375	14.4
66.43559	1.0
69.22991	4.5
69.23418	4.9
69.65208	1.0
71.01044	1.6
71.01382	12.2
73.02945	1.9
83.01381	1.4
85.02927	1.8
87.00880	3.1
89.02457	7.2
95.77326	1.0
99.00891	1.4
101.02462	6.9
113.02413	2.9
113.31683	1.0
116.05175	1.0
117.03482	2.9
119.03467	1.9
125.02468	1.6
132.02168	17.7
133.02942	2.8
134.03743	51.8
135.04173	1.1
137.02440	2.5
147.00914	1.1
147.04532	2.0
148.05266	1.9
149.06085	6.5
151.00362	1.5
151.06100	6.4
160.01656	81.8
161.02199	3.3
169.01428	2.0
173.05986	2.1
175.03992	100.0
176.04625	6.4
177.01956	1.6
178.02737	3.3
179.03592	1.1
191.07156	8.6
192.04257	1.0
193.05049	71.4
194.05310	1.8
207.06567	3.6
207.67586	1.2
227.03499	42.0
227.05751	2.1
228.03818	1.8
229.05061	1.3
235.06099	31.1
236.06543	1.3
255.02968	55.5
256.03568	6.6
265.07092	5.0
284.03223	37.3
285.04013	13.3
295.07898	6.9
313.11160	1.1
323.07629	1.3
337.09283	2.1
355.10229	2.0
411.47565	1.4
418.89789	1.1
425.54745	1.1
489.10107	50.6
489.16119	88.0
489.74426	1.1
490.10428	3.9
490.16718	4.9
497.77341	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	489.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75406	0.4
57.08048	0.4
59.01378	2.8
61.98812	0.4
69.19494	4.1
71.01378	1.8
73.02955	0.4
79.15593	0.4
85.02981	0.9
89.02462	0.4
92.36829	0.4
93.03456	0.9
101.02454	0.8
108.47886	0.4
113.02449	0.8
117.03461	24.8
118.03818	1.2
119.05026	10.9
119.05851	0.4
120.05349	0.5
121.02957	2.8
125.02550	0.4
127.31702	0.4
132.02174	0.7
133.02954	3.5
135.04543	3.9
136.04852	1.5
137.05119	0.7
145.02951	100.0
146.03284	3.9
147.03477	0.5
161.02440	8.9
161.06088	0.9
162.02803	1.8
163.02919	0.7
163.04039	8.4
164.04341	0.7
165.89311	0.4
166.06357	17.0
167.06808	0.6
169.01514	0.5
175.04005	0.8
177.05569	0.9
179.03525	3.1
180.03859	1.7
181.03996	1.1
181.08694	6.8
181.74323	0.5
182.09013	0.4
187.04022	0.8
211.03854	0.4
221.04536	0.9
221.15480	0.7
222.04793	0.6
227.03503	13.5
227.05740	0.8
228.03789	0.6
229.05121	0.8
252.05952	0.8
253.06296	0.6
255.02971	17.2
256.03580	2.0
267.16055	1.5
281.06610	0.9
282.06979	1.1
283.07166	1.1
284.03262	15.4
285.03995	8.9
307.08212	22.3
308.08606	1.8
308.61954	0.4
309.08746	0.4
324.08188	0.9
325.08215	1.4
341.09872	1.2
342.09201	1.1
343.09454	1.4
353.10300	2.2
473.65417	0.4
489.10455	17.3
489.17706	37.0
490.10684	1.6
490.18085	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	489.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.6
59.01382	22.7
61.98815	6.0
67.09076	1.8
70.09273	7.2
71.01382	100.0
71.05015	2.1
72.99312	28.8
85.02934	3.0
86.52650	1.5
87.00874	33.8
89.02451	12.5
98.20566	2.0
101.02436	4.9
113.02460	2.3
115.00375	30.3
118.83113	1.8
119.03504	3.8
129.01947	11.4
133.01419	2.1
135.04526	3.9
143.03491	1.9
147.02998	93.7
147.06639	20.5
179.03491	4.2
179.05579	6.1
191.05598	2.8
255.02916	3.4
284.03104	3.3
341.10855	29.1
382.85443	2.0
488.34628	3.2
489.16034	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	489.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56054	0.9
59.01381	12.6
61.98825	1.8
69.20434	2.0
69.20837	6.8
71.01379	15.0
72.99300	2.2
73.02938	2.3
79.39571	1.0
83.01382	3.9
85.02941	1.2
87.00873	26.5
93.03468	6.9
95.99265	1.0
109.02953	1.5
111.00880	5.8
113.02457	2.1
115.00368	54.2
121.02936	5.9
125.02491	1.8
127.00340	1.0
133.02937	2.4
135.04491	2.3
139.00377	13.7
151.00331	1.0
157.01422	27.8
161.02446	8.6
165.01938	2.7
169.01378	0.9
175.02467	100.0
176.02759	1.5
179.03491	1.2
181.05043	1.1
196.54987	0.9
198.01262	0.9
217.05060	1.0
224.50743	0.8
226.12354	2.2
227.03433	1.9
255.03021	2.5
269.12946	12.5
270.13403	1.3
279.27039	1.0
284.03137	2.2
285.04053	2.9
298.21707	0.9
301.99902	0.9
311.09070	1.2
312.10013	2.1
313.11914	12.3
323.07709	4.7
327.12418	6.8
343.12991	3.4
371.12378	9.4
373.13837	1.7
385.02856	1.0
409.14035	7.5
410.14233	1.0
427.15009	10.0
428.15292	1.3
429.13028	4.3
450.99127	0.9
453.13049	1.3
471.14505	1.2
473.74921	1.0
489.10355	5.0
489.15918	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	489.1039
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
55.85609	0.6
59.01378	40.1
61.98819	0.8
75.02731	0.6
83.01384	1.1
85.02955	0.7
87.00876	1.4
88.98803	2.6
93.03436	1.7
107.01379	1.6
109.02946	3.4
115.00341	1.7
116.92898	0.6
121.02885	1.0
125.02460	1.6
132.02173	0.9
133.02953	1.1
135.00856	1.3
135.04549	0.7
137.02518	0.8
145.02966	1.0
151.00369	2.5
159.04459	0.7
161.02412	1.7
163.00319	1.8
163.04051	0.8
165.01874	1.3
175.02490	4.1
181.01413	1.9
183.04555	1.4
185.02335	0.7
185.06081	1.5
187.04002	1.8
189.01845	0.8
189.05566	1.1
191.05611	1.6
197.06110	0.8
201.46655	0.7
211.03999	3.3
213.05553	1.2
227.03484	70.1
228.03889	3.4
229.05037	3.8
239.03429	1.6
255.02971	100.0
256.03622	10.8
257.04510	3.0
271.77115	0.7
284.03244	88.0
285.03998	60.2
286.04404	3.5
300.99844	1.4
327.05038	1.1
327.12439	0.7
473.82190	0.7
489.10349	97.5
490.10574	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	489.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.1
68.99316	0.5
71.53381	0.8
75.00890	1.3
82.57110	0.5
85.02944	0.7
89.02392	0.5
93.03444	2.7
101.02434	0.9
105.42628	0.6
107.01410	1.0
109.02959	1.1
111.00920	0.5
113.02452	1.2
117.03461	1.4
119.05005	1.7
121.02969	0.8
121.06602	1.8
123.04487	0.8
125.02422	0.9
132.02171	1.7
133.02954	31.1
134.03523	1.2
135.00931	1.0
135.02971	0.8
135.04524	14.6
136.04823	0.6
137.02420	1.3
145.02946	1.6
149.06026	1.1
150.72455	0.5
151.03975	1.9
159.04425	0.8
161.02435	100.0
162.02751	3.2
163.00389	0.8
163.04025	0.9
165.04149	1.3
165.05551	9.8
166.02785	0.6
169.01448	0.9
175.04059	0.6
177.01984	0.7
177.05560	1.7
179.03491	9.5
179.04959	0.9
179.10811	1.5
181.05066	1.4
183.04568	0.7
187.03986	0.8
189.01973	0.7
190.23082	0.5
191.05605	0.9
199.04015	0.5
211.03976	1.1
213.05524	0.7
221.04521	2.0
223.09686	0.8
227.03479	14.1
228.03815	0.8
229.05046	2.0
241.05008	1.3
250.72635	0.5
255.02975	31.7
256.03464	3.9
257.04446	1.4
258.33768	0.7
269.04535	1.3
284.03247	49.8
285.03967	23.2
286.04242	1.4
323.07700	10.1
327.05273	1.2
341.06772	0.7
447.09259	0.7
455.70569	0.6
471.13171	2.0
489.13922	50.1
490.09201	0.5
490.14233	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	489.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34275	0.5
51.68781	0.5
59.01374	10.3
61.98819	1.0
69.83939	2.7
71.01373	2.2
75.00874	1.7
78.30406	0.5
85.02913	0.7
89.02449	0.7
93.03451	3.2
99.42160	0.7
101.02433	1.1
105.03502	0.8
107.01408	1.2
107.05041	0.9
109.02941	1.3
117.03483	2.0
117.91181	0.7
119.05036	1.8
121.02929	0.9
121.06575	1.9
125.02451	1.1
132.02196	2.1
133.02957	31.9
134.03534	1.0
135.02930	1.6
135.04523	13.5
137.02457	1.0
145.02974	1.2
147.04482	0.8
149.06068	1.0
151.00391	1.0
151.03995	2.2
160.01636	0.7
161.02437	100.0
162.02762	3.7
163.00409	1.0
163.04065	1.3
164.01083	0.8
165.01955	0.6
165.04160	1.2
165.05557	9.8
169.01378	0.9
171.04480	0.8
175.03979	1.6
177.05507	2.1
179.03502	9.9
179.10747	1.6
181.05132	1.2
185.06032	0.8
187.03934	1.2
197.06149	0.9
199.04002	0.7
203.03383	0.8
208.12964	0.5
211.04024	1.0
213.05589	0.6
214.70328	0.6
221.04535	1.9
223.09804	0.7
227.03497	16.4
228.03880	1.1
229.05061	3.7
239.03383	0.7
241.05087	1.1
255.02971	33.9
256.03473	3.1
257.04559	1.8
278.67581	0.7
281.06717	0.9
283.02576	0.9
284.03253	48.3
285.04004	34.4
286.04407	2.1
323.07700	9.5
324.08026	1.0
327.05096	1.2
371.13321	1.3
471.13010	2.1
489.13916	50.3
490.15115	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	489.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.9
61.98804	1.0
68.69296	0.9
69.52529	4.1
69.52959	3.1
71.01373	10.2
73.02943	1.3
83.01384	3.5
84.02232	0.9
85.02932	2.5
87.00876	13.6
93.03456	87.1
94.03785	1.5
108.02122	1.1
111.00850	4.4
113.02448	2.2
115.00369	30.2
117.03428	1.4
121.02952	69.7
122.03323	1.7
125.02417	1.6
132.02162	2.2
133.02953	38.6
134.03749	2.6
135.04515	30.4
137.02437	2.8
139.00375	7.7
149.06104	1.7
153.01944	1.0
157.01427	15.3
161.02435	100.0
162.02762	3.1
165.01935	23.6
166.02269	1.2
169.01367	1.4
174.05605	1.0
175.02469	48.4
175.03934	2.7
176.02834	1.6
177.01935	1.3
177.05501	5.6
178.02939	0.9
179.03481	18.7
191.05560	1.9
193.05025	1.7
203.03474	1.9
207.05205	1.2
221.04543	7.7
255.02966	2.6
269.12936	6.4
280.05951	1.0
283.02280	1.9
285.04062	1.1
297.04178	1.3
311.09293	1.0
312.09799	1.6
313.11749	5.8
323.07700	66.0
324.07938	4.0
327.04688	1.2
327.12329	3.7
343.12674	1.8
371.12430	3.9
409.13950	3.6
427.15326	4.7
429.12799	2.2
445.11545	4.7
489.10266	43.9
490.10501	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	489.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.5
69.15897	5.1
83.01352	0.5
93.03445	1.1
102.48495	0.5
102.82268	0.4
107.01379	2.2
109.02943	0.8
118.17882	0.4
132.02145	1.1
135.00879	1.6
143.05061	1.1
146.75304	0.4
151.00339	1.3
155.04961	0.5
157.06554	0.8
159.04549	0.9
163.00333	2.7
164.00877	0.5
167.04918	0.5
169.06583	0.9
171.04564	0.6
183.04427	0.9
185.02457	0.6
185.06100	1.0
187.03999	2.4
189.05562	0.7
192.08618	0.5
195.04527	0.7
198.03358	0.4
199.04001	1.4
200.04559	0.6
211.03996	2.9
213.05560	1.8
227.03482	31.1
228.03868	1.6
229.05022	9.1
239.03484	1.3
241.04959	0.8
246.23526	0.5
255.02966	66.6
256.03485	6.1
257.04547	5.5
267.03012	0.8
276.99521	0.4
283.02524	0.7
284.03238	85.5
285.03998	100.0
286.04321	6.0
306.75320	0.5
355.43518	0.5
429.07581	0.8
489.10358	40.3
490.10651	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	489.1037
Annotation	CHEBI:69513
Peak:m/z	Relative Intensity
53.84035	0.5
59.01382	4.6
63.02407	0.8
69.45931	2.4
69.46355	1.8
71.01368	2.9
73.02917	0.6
83.01378	0.7
84.90408	0.5
85.02948	1.0
87.00909	0.6
89.02450	2.1
93.03481	0.8
98.19955	1.2
101.02435	1.4
107.01388	0.9
113.02470	0.7
117.03519	1.1
119.03564	0.7
125.02438	1.3
132.02200	4.0
133.02921	0.8
134.03738	11.1
137.02432	0.8
149.06085	1.3
151.00389	2.7
151.06113	1.3
160.01657	15.9
161.02351	1.1
163.00331	0.7
174.03189	0.8
175.03996	19.5
176.04486	0.6
177.01918	0.9
177.19917	0.5
178.02818	0.8
183.04523	2.2
187.03922	0.7
191.07120	2.5
193.05052	15.2
194.05380	0.7
207.06587	0.6
211.03993	2.4
211.07825	0.5
227.03479	83.4
228.03851	4.5
235.06076	6.2
243.03127	0.7
255.02974	98.5
256.03592	12.8
257.04480	0.9
265.07138	1.2
284.03247	59.7
285.03928	15.5
286.04294	0.7
295.08133	1.4
325.92352	0.6
327.05090	1.1
470.84918	0.6
489.10254	100.0
489.16324	13.9
490.10620	8.5
490.16705	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	487.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.8
60.99326	1.1
67.00993	0.8
69.44859	4.9
71.05042	1.6
97.06602	2.7
116.62177	0.9
237.06314	0.9
306.79517	0.9
329.17548	0.9
375.27301	0.8
389.28430	1.0
391.30215	3.1
405.31616	4.1
407.33203	9.6
409.31250	1.2
423.32825	2.6
425.34402	3.0
427.32404	1.4
439.32187	1.2
441.33765	8.8
443.35153	3.1
449.30630	1.2
451.32129	11.9
452.32803	1.3
453.33722	58.4
454.34167	7.2
467.31937	2.6
469.33267	11.7
470.33563	1.2
487.34402	100.0
488.34723	11.2
497.32803	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	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
76.10276	0.4
93.64067	0.4
98.20725	1.1
106.44373	0.3
110.51835	0.3
397.31055	1.2
407.33096	0.6
413.34366	0.7
427.32068	0.8
441.33691	17.0
442.34122	1.7
443.35144	1.4
451.32239	0.9
469.33157	3.4
487.34280	100.0
488.34641	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	489.1038
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.64667	0.4
57.86913	0.5
59.01384	3.0
61.98839	0.9
63.02406	0.6
69.74339	0.7
69.74747	1.7
75.00880	1.5
85.02919	0.5
93.03468	2.7
101.02429	0.6
107.01410	1.3
109.02952	1.0
117.03471	1.8
119.03541	0.5
119.05021	1.2
121.02990	0.5
132.02156	2.2
133.02956	3.5
134.03711	1.3
135.00894	1.4
135.02979	1.2
135.04517	2.3
143.05046	0.8
145.02950	3.1
147.02922	0.6
147.04575	0.7
150.03250	0.5
151.00349	1.9
151.03987	1.1
152.00822	0.5
153.01926	1.0
159.04504	1.4
160.00601	0.5
160.01683	5.1
161.02435	12.4
162.02835	0.7
163.00394	2.6
163.04024	0.9
164.01180	0.6
165.04027	1.2
165.05515	1.1
169.01442	0.6
169.06586	0.5
171.04483	0.6
175.03964	3.6
177.05542	0.5
179.03494	2.1
179.10692	0.9
183.04478	0.8
185.06058	2.0
187.04021	2.4
189.05571	0.9
193.05008	0.9
195.04527	0.9
197.06079	1.3
199.03937	0.9
200.04756	0.4
201.05629	0.5
211.04008	3.4
213.01878	0.7
213.05556	1.3
223.04082	0.5
227.03487	30.2
228.03880	1.5
229.05034	9.3
233.96623	0.6
239.03491	1.8
240.04250	1.0
241.05075	1.7
255.02969	62.2
256.03479	5.4
257.04501	5.6
267.03094	0.6
271.02609	0.5
283.02612	1.7
284.03244	78.5
285.04004	100.0
286.04337	6.0
300.02859	1.2
307.08203	0.6
313.09344	0.7
323.07660	1.7
327.10895	0.7
371.13129	0.7
383.41928	0.5
429.08148	2.8
445.15158	0.6
489.09451	29.7
490.11050	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80668	0.5
60.01361	0.4
71.05021	1.3
76.94657	0.5
93.15771	0.5
98.19776	1.1
161.72429	0.4
229.58575	0.8
235.85503	0.4
267.61853	0.5
405.31778	0.9
407.33368	2.4
423.32751	1.1
425.34125	2.2
427.32025	1.2
443.35092	1.1
469.33218	14.1
470.33490	2.1
487.34265	100.0
488.34601	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	487.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08736	0.4
59.01384	1.1
60.99317	0.5
62.72352	0.4
70.86105	0.9
71.05016	1.5
147.85109	0.4
148.45087	0.4
183.24591	0.4
251.20203	3.5
271.67938	0.4
302.89331	0.4
358.95428	0.4
377.28268	0.5
395.33060	0.6
405.31723	0.5
407.33508	0.9
423.33170	0.9
425.34460	2.8
427.32285	1.0
439.31744	0.5
441.33728	0.9
443.35336	1.7
457.33203	0.5
469.33292	8.7
470.33542	1.3
487.34344	100.0
488.34668	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41334	0.4
98.20654	1.2
147.46501	0.5
192.23225	0.4
205.68002	0.4
264.06412	0.4
277.04950	0.5
375.30542	0.7
397.34927	0.6
407.33154	1.4
410.18231	0.4
425.34476	1.0
441.33685	17.8
442.33789	2.1
443.34982	1.3
451.32172	0.8
457.68680	0.5
469.33066	2.4
487.34259	100.0
488.34644	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	487.3428
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.83517	0.5
54.09489	0.4
59.01385	4.8
61.60329	0.4
63.58488	0.4
72.99277	0.4
77.61807	0.4
86.55542	0.4
98.20729	1.0
107.55209	0.4
133.31001	0.5
152.67860	0.4
170.41071	0.4
182.45296	0.4
345.38419	0.5
373.61871	0.5
392.70041	0.4
397.30960	1.1
405.31204	0.4
407.33112	1.2
413.34052	0.9
416.07562	0.5
425.34146	1.1
441.33679	17.1
442.33862	1.9
443.35452	0.7
451.32141	0.9
469.33173	1.7
471.60956	0.4
487.34253	100.0
488.34607	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	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.2
61.98818	0.3
69.99617	0.3
70.00011	0.3
71.05011	1.0
79.36902	0.1
83.05027	0.3
90.14202	0.1
97.06602	0.1
115.04001	0.2
133.02966	2.2
135.04524	1.2
137.09689	0.2
137.82388	0.1
145.02934	0.3
148.05305	1.7
161.02449	5.8
162.02931	0.1
163.07637	0.6
164.04811	0.2
165.12843	0.1
177.05562	0.2
179.03511	0.8
183.13948	0.1
205.15915	0.2
221.04462	0.2
296.54272	0.1
309.69565	0.1
323.07727	1.7
371.29404	0.4
373.25339	0.1
377.28461	0.3
391.30115	0.2
393.31766	0.5
403.30411	0.2
405.31671	0.3
407.33264	2.2
408.33701	0.2
421.31223	0.2
423.32773	1.5
425.34348	1.7
426.34827	0.2
427.32272	1.3
437.30872	0.3
439.32404	0.7
441.33685	0.2
443.35239	0.8
455.31616	0.4
467.31824	0.4
469.33200	14.3
470.33578	1.5
487.16122	2.5
487.34268	100.0
488.16211	0.2
488.34613	10.5
513.32385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	0.5
66.46430	0.4
69.48616	3.2
72.28045	0.4
74.50425	0.5
97.06581	0.6
100.29786	0.4
101.11436	0.4
377.28421	0.9
393.31693	1.0
423.32523	2.0
487.34308	100.0
488.34698	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	487.3428
Annotation	Arjunic acid
Peak:m/z	Relative Intensity
60.99289	5.2
63.39230	4.3
69.99011	8.2
69.99401	7.8
71.05009	15.0
128.74495	3.8
205.16052	4.1
254.70113	3.2
285.83066	4.0
423.32724	9.7
425.34467	26.6
426.34039	6.1
441.33517	9.8
443.35397	40.7
444.35675	4.6
457.33182	11.1
469.33524	6.3
473.62308	3.9
475.34409	27.6
487.34821	100.0
488.34988	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99545	1.6
71.05039	0.4
71.59007	0.3
86.43253	0.3
86.54102	0.3
98.20707	0.3
98.34266	0.3
156.81158	0.3
165.74672	0.4
423.32748	0.8
427.32092	0.7
457.33136	0.6
469.33475	3.9
470.33267	0.6
487.34290	100.0
488.34619	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	487.3427
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.05455	0.3
60.99266	0.3
61.65390	0.3
61.65699	0.3
70.54495	1.0
72.91796	0.4
94.21316	0.3
132.51701	0.3
183.21823	0.3
185.59563	0.4
281.79501	0.4
362.39636	0.4
407.33289	0.4
423.32663	1.6
425.34277	1.5
441.33856	0.4
443.35284	0.6
457.33051	0.5
469.33258	5.5
487.34299	100.0
488.34607	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	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89532	0.2
58.00593	0.3
59.01377	1.6
61.98825	0.8
65.29523	0.2
66.92161	0.2
69.03452	0.2
71.01382	0.5
71.05019	0.6
71.09748	0.2
71.53633	0.2
73.02952	0.5
83.05010	0.5
85.02932	0.2
97.06593	0.5
109.06596	0.4
113.02473	0.2
135.04485	0.3
137.09697	0.3
145.02979	0.3
161.02440	0.5
163.16142	0.2
165.12878	0.3
186.49289	0.2
205.15982	1.5
373.25665	0.2
375.27020	0.7
377.28543	0.7
391.30215	1.6
393.27307	0.2
393.31866	1.4
403.29947	0.3
405.27811	0.7
405.32059	0.5
407.33249	9.8
408.33694	1.1
409.31055	0.2
421.31146	0.3
423.32983	3.2
424.33087	0.3
425.34265	13.6
426.34570	1.7
437.30667	0.2
439.32211	2.6
441.33701	3.5
442.34351	0.4
443.35358	0.7
457.33282	3.7
458.33508	0.5
469.33267	8.9
470.33670	0.8
487.34326	100.0
488.34720	12.3
513.32123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70240	0.2
59.01374	1.1
61.98825	0.5
70.14110	0.8
71.01374	1.2
73.02953	0.4
78.89344	0.2
79.00580	0.2
83.40195	0.2
84.47784	0.2
85.02951	0.7
88.98761	0.3
89.02475	0.3
89.03973	0.3
101.02446	1.0
113.02450	0.6
117.03461	25.8
118.03734	0.4
119.05022	13.1
120.05363	0.4
121.02946	0.3
125.02418	0.5
133.02946	0.9
133.06552	0.4
135.03017	0.4
135.04494	2.3
145.02948	100.0
146.03755	15.4
147.04445	0.8
151.00369	0.4
159.04509	0.6
161.02420	3.1
161.06076	5.5
163.04010	10.9
164.04797	10.6
165.05391	0.5
169.01341	0.4
177.01910	0.6
177.05563	0.4
178.02318	0.3
179.03633	1.3
179.07123	12.9
180.07553	0.3
183.02956	1.5
187.04028	1.4
189.05624	0.3
203.07127	0.3
205.05049	0.9
206.18454	0.3
219.06506	0.3
221.04599	0.4
247.06071	0.7
289.00104	0.3
307.08203	43.9
308.08554	2.8
323.07715	1.3
469.33698	0.3
487.16110	22.6
487.34244	1.5
488.16336	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44119	3.1
71.05016	16.3
74.45677	0.8
86.39835	0.8
95.07540	0.9
98.19841	0.9
162.78493	0.8
353.28574	1.3
369.27814	1.3
371.29535	14.2
379.15558	0.9
415.28152	1.8
425.34198	1.2
443.35269	96.5
444.35721	10.4
457.33212	26.9
458.33328	2.0
465.54819	0.9
487.34216	100.0
488.34537	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	487.1608
Annotation	Toonaciliatin A
Peak:m/z	Relative Intensity
57.03441	0.3
59.01381	1.0
61.98819	0.9
69.03432	0.3
69.35143	2.5
71.01373	1.7
73.02949	1.1
82.72354	0.3
85.02961	1.0
89.03973	0.3
95.01382	0.4
101.02437	0.6
105.03474	0.8
107.05007	0.4
111.31693	0.3
113.02462	0.7
115.01868	0.3
116.95776	0.3
117.03468	1.2
119.05007	0.3
121.02931	0.6
132.02161	2.3
133.02959	38.5
134.03677	1.5
135.04529	18.4
136.04852	0.6
137.02492	0.7
142.97690	0.3
145.02954	0.5
147.04562	0.5
148.05310	26.1
149.05875	1.4
149.40138	0.3
151.03915	0.3
159.04494	0.3
160.01640	0.3
161.02448	100.0
162.02789	3.3
163.07640	8.4
164.04771	0.4
164.07996	0.5
165.66277	0.3
175.04063	0.7
177.01898	0.4
177.04285	0.3
177.05588	1.7
178.02692	0.4
179.03505	11.6
179.06967	0.4
198.90184	0.3
201.94742	0.3
203.03464	1.0
221.04512	3.2
251.05594	0.4
263.05594	0.8
278.09473	0.3
280.06085	0.4
307.08310	0.3
323.07700	26.3
324.07898	1.5
337.09253	0.5
451.19623	0.5
487.16071	47.2
487.34595	14.9
488.16611	3.8
488.34665	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	487.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70240	0.2
59.01374	1.1
61.98825	0.5
70.14110	0.8
71.01374	1.2
73.02953	0.4
78.89344	0.2
79.00580	0.2
83.40195	0.2
84.47784	0.2
85.02951	0.7
88.98761	0.3
89.02475	0.3
89.03973	0.3
101.02446	1.0
113.02450	0.6
117.03461	25.8
118.03734	0.4
119.05022	13.1
120.05363	0.4
121.02946	0.3
125.02418	0.5
133.02946	0.9
133.06552	0.4
135.03017	0.4
135.04494	2.3
145.02948	100.0
146.03755	15.4
147.04445	0.8
151.00369	0.4
159.04509	0.6
161.02420	3.1
161.06076	5.5
163.04010	10.9
164.04797	10.6
165.05391	0.5
169.01341	0.4
177.01910	0.6
177.05563	0.4
178.02318	0.3
179.03633	1.3
179.07123	12.9
180.07553	0.3
183.02956	1.5
187.04028	1.4
189.05624	0.3
203.07127	0.3
205.05049	0.9
206.18454	0.3
219.06506	0.3
221.04599	0.4
247.06071	0.7
289.00104	0.3
307.08203	43.9
308.08554	2.8
323.07715	1.3
469.33698	0.3
487.16110	22.6
487.34244	1.5
488.16336	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.6
59.53944	1.1
61.98823	4.5
71.01365	4.6
71.53558	1.9
75.90726	1.3
83.64803	1.0
85.02945	2.3
87.00950	1.3
89.02444	1.5
93.03453	3.5
101.02448	1.5
113.02446	3.2
117.03447	12.0
119.05023	38.5
120.05324	1.7
121.02941	3.0
123.04520	1.1
125.02464	1.7
128.89812	1.1
131.05046	1.2
132.05865	1.4
133.02962	5.6
133.06590	7.0
134.03706	4.2
135.04521	100.0
136.04826	3.3
142.05879	1.1
145.02953	61.0
146.03322	2.6
147.04491	1.4
149.02473	1.5
149.06047	1.9
151.00293	1.6
159.04494	2.2
160.01523	1.2
161.02417	18.9
161.06062	21.5
163.04001	42.4
164.04631	1.3
177.05569	11.2
179.03493	56.8
179.07028	3.4
180.03809	1.4
187.03929	1.7
193.05167	1.3
205.05040	25.7
206.05424	1.3
221.04428	2.0
223.06046	2.4
232.77023	1.1
235.06078	20.7
237.03740	3.1
239.01653	2.9
263.05646	2.6
265.07169	37.0
265.44250	1.2
281.06522	2.5
297.09775	2.4
307.04910	2.0
307.08218	31.3
323.07672	7.3
325.01724	23.7
325.09396	1.5
341.08698	9.5
443.13611	8.6
444.14023	1.5
469.33121	2.2
487.11819	4.3
487.34702	16.0
488.34555	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.6
59.53944	1.1
61.98823	4.5
71.01365	4.6
71.53558	1.9
75.90726	1.3
83.64803	1.0
85.02945	2.3
87.00950	1.3
89.02444	1.5
93.03453	3.5
101.02448	1.5
113.02446	3.2
117.03447	12.0
119.05023	38.5
120.05324	1.7
121.02941	3.0
123.04520	1.1
125.02464	1.7
128.89812	1.1
131.05046	1.2
132.05865	1.4
133.02962	5.6
133.06590	7.0
134.03706	4.2
135.04521	100.0
136.04826	3.3
142.05879	1.1
145.02953	61.0
146.03322	2.6
147.04491	1.4
149.02473	1.5
149.06047	1.9
151.00293	1.6
159.04494	2.2
160.01523	1.2
161.02417	18.9
161.06062	21.5
163.04001	42.4
164.04631	1.3
177.05569	11.2
179.03493	56.8
179.07028	3.4
180.03809	1.4
187.03929	1.7
193.05167	1.3
205.05040	25.7
206.05424	1.3
221.04428	2.0
223.06046	2.4
232.77023	1.1
235.06078	20.7
237.03740	3.1
239.01653	2.9
263.05646	2.6
265.07169	37.0
265.44250	1.2
281.06522	2.5
297.09775	2.4
307.04910	2.0
307.08218	31.3
323.07672	7.3
325.01724	23.7
325.09396	1.5
341.08698	9.5
443.13611	8.6
444.14023	1.5
469.33121	2.2
487.11819	4.3
487.34702	16.0
488.34555	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01379	7.6
61.98816	1.1
71.01376	8.2
71.89084	0.5
72.99300	0.9
73.02943	1.2
75.00864	1.6
80.31534	0.5
83.01387	0.9
85.02945	3.1
87.00885	4.5
89.02435	5.5
93.03424	1.0
95.01417	1.0
97.02973	0.6
99.00891	1.2
101.02436	3.9
111.00915	0.7
113.02456	3.3
117.03464	26.2
118.03821	1.0
119.03603	1.2
119.05027	38.6
120.05367	0.8
121.02982	0.9
121.06573	0.6
123.00920	0.9
123.04534	2.1
125.02445	2.6
129.01938	1.0
130.35066	0.6
131.03493	0.7
131.04985	0.7
133.02960	1.1
133.06616	1.9
134.03722	1.4
135.04535	2.5
143.03479	1.2
145.02950	100.0
146.03293	3.0
147.03008	0.6
149.06020	0.7
161.02434	4.1
161.04565	1.7
161.06085	7.1
163.04008	52.1
164.04402	2.4
167.03481	3.0
168.00638	0.7
169.01404	1.3
170.12785	0.6
175.04051	1.1
177.04260	0.6
177.05562	3.2
179.03508	2.2
179.05490	0.6
187.03992	0.6
193.05052	1.1
195.04903	1.1
205.05040	8.3
205.06804	0.6
229.01216	0.6
235.06088	5.5
247.02303	0.8
265.07162	9.1
281.06607	1.3
287.05554	0.6
300.99820	1.2
307.08286	5.1
325.09372	2.9
334.58426	0.6
337.07898	1.7
383.09674	0.8
441.18344	0.6
469.33118	1.2
487.14700	44.2
487.34253	8.6
488.15103	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	487.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.6
71.01375	5.0
73.02942	1.5
81.03452	1.4
85.02939	4.0
85.06585	12.2
93.03448	1.3
95.01381	2.5
101.02467	2.8
104.73544	1.2
107.01365	1.7
108.02171	88.4
109.02952	98.4
110.03254	2.1
113.02420	1.7
113.06091	17.1
115.04015	14.8
119.05006	4.5
123.00858	3.0
123.04494	3.7
125.02420	2.0
125.52017	1.1
133.02966	3.9
135.00876	6.0
135.04491	3.6
139.03935	3.5
145.02977	1.4
150.05481	1.2
152.01146	85.7
153.01929	55.2
157.05013	3.9
161.02455	12.0
161.04536	2.9
163.03992	3.6
167.03487	21.1
179.03468	3.7
232.78230	1.5
253.90860	1.5
297.06183	2.4
315.07214	13.9
323.07718	2.6
329.08792	6.9
357.08240	34.3
358.08603	2.9
406.00873	1.3
443.13495	3.2
469.13632	5.3
487.14514	100.0
487.34152	5.4
488.14572	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	487.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
62.37598	0.4
62.57151	0.4
69.99641	1.9
71.01388	1.0
77.03970	0.4
101.02448	0.7
105.03445	0.6
107.04994	0.4
113.02469	0.5
117.03452	5.6
119.05014	4.2
132.02147	1.6
133.02956	30.7
133.06604	1.0
134.03514	0.5
135.04523	21.9
136.04817	0.8
137.02441	0.5
145.02956	13.6
149.06039	2.3
161.02435	100.0
161.05977	2.5
162.02782	4.2
163.03996	4.1
175.03940	0.9
177.05537	5.1
179.03488	26.6
180.03809	0.7
183.02985	1.5
203.03513	2.5
205.05013	1.8
221.04562	6.6
223.59985	0.5
233.04254	0.5
235.06142	1.9
251.05588	7.5
252.05667	0.5
265.07230	2.8
281.06668	9.8
307.08145	2.0
323.07681	8.7
325.09177	0.5
332.68289	0.5
341.08749	11.5
342.09045	0.7
427.10373	1.0
487.12332	14.5
488.12717	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	487.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54464	4.1
52.15119	3.4
59.01371	22.3
71.01375	12.2
71.50298	3.9
71.50691	6.6
73.02928	6.3
83.01363	4.2
89.02496	4.0
93.03434	10.5
94.97841	3.6
101.02437	42.7
102.05578	7.9
102.09724	3.6
107.01399	6.2
109.02967	6.1
111.04498	14.6
113.02410	4.5
123.00873	15.1
124.39660	4.0
125.02454	29.6
137.02478	7.7
144.03009	8.1
145.01421	100.0
145.06165	8.8
146.04594	23.5
151.00346	10.5
155.03500	10.1
168.00656	5.7
169.01425	43.9
191.05580	21.9
211.02452	7.1
331.06808	21.3
341.11127	6.3
451.08841	4.3
469.09799	18.8
487.10767	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
69.32300	1.0
69.32710	3.5
71.01387	2.2
73.02921	0.7
75.13860	0.6
75.25826	0.6
83.01402	0.6
85.02950	1.0
93.03457	0.9
95.01411	0.6
101.02444	0.9
105.03447	0.8
109.02990	0.7
113.02460	1.2
117.03477	1.5
119.05023	82.6
120.05371	1.8
132.02179	1.7
133.02959	35.3
134.03606	0.8
135.04520	27.0
136.04819	1.5
137.02408	0.8
147.04514	0.6
149.06041	1.2
159.04521	0.8
161.02435	100.0
162.02795	3.8
163.04004	39.0
164.04366	1.7
175.03999	0.7
177.01978	0.9
177.05531	4.5
179.03493	18.2
180.03862	1.0
203.03513	1.6
221.04535	6.1
239.07510	0.9
263.05563	0.8
271.94089	0.6
280.05838	0.8
323.07687	72.0
324.08096	4.4
331.98132	0.5
443.13309	1.1
487.12393	47.6
487.34305	2.5
488.12753	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	487.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.66170	0.8
69.62377	3.0
69.62782	2.5
71.01365	1.4
98.19888	1.1
112.62051	0.9
113.02367	1.0
113.85300	1.0
119.05022	62.3
120.05347	2.3
132.02177	1.7
133.02956	31.2
134.03255	0.9
135.04529	23.9
145.66188	1.0
149.06038	1.1
151.00316	1.1
161.02434	100.0
162.02734	4.1
163.03993	22.8
177.05554	2.8
179.03485	17.1
221.04503	3.8
241.61211	0.9
263.05548	1.2
287.05478	1.3
323.07690	39.9
323.11563	2.0
324.08112	1.5
398.81488	1.1
443.13449	5.0
487.12415	55.2
488.12735	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	487.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56226	1.1
54.80983	1.2
59.01377	13.9
59.09045	1.3
69.99721	3.5
71.01379	6.5
76.93275	1.1
84.80637	1.3
85.02943	2.6
89.02438	4.7
93.23975	1.1
98.20613	1.2
101.02442	4.9
113.02428	3.0
117.03428	1.8
119.05021	71.2
120.05353	1.2
133.02950	30.5
134.03661	1.5
135.04529	36.2
136.04868	3.4
137.02444	1.6
145.02922	1.6
149.06079	2.8
161.02438	100.0
162.02777	4.7
163.02997	1.4
163.04001	36.6
177.05539	6.7
178.05894	1.9
179.03488	29.8
179.05896	1.5
180.03833	3.6
181.03976	1.6
221.04599	5.5
222.04808	1.5
251.05466	1.5
280.05933	1.2
281.06686	2.4
283.07581	1.4
323.07657	57.2
323.13614	2.8
324.08035	3.5
324.13715	4.2
325.13889	5.1
443.13412	2.5
487.01965	1.6
487.12338	40.6
487.17697	11.0
487.34073	11.9
488.12827	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	487.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77357	0.9
59.01366	5.2
61.98802	1.0
69.03434	3.1
71.01353	2.8
71.05022	1.2
71.23259	1.6
73.02915	2.0
78.65404	1.0
81.03442	1.6
83.01370	2.9
85.02975	1.5
89.02435	2.3
93.03448	5.5
97.02944	4.3
99.00853	2.4
101.02419	3.0
109.02922	2.4
111.04483	2.5
116.92823	1.7
117.03427	3.0
119.05029	11.3
121.02933	1.2
123.00903	8.2
124.00877	1.3
124.01672	18.4
125.02446	60.0
137.02461	7.1
145.02962	8.8
146.50510	1.0
149.99586	24.1
151.00279	3.8
151.03841	1.2
161.02362	2.8
161.04584	1.4
161.06018	2.2
163.02966	0.9
163.04010	10.2
165.01904	1.7
167.03392	3.2
168.00642	58.3
169.01416	17.1
171.23213	1.0
173.04475	1.9
179.03474	2.0
181.01500	1.0
191.05539	1.9
205.04927	1.8
205.81909	1.1
206.75526	0.9
211.02356	1.4
235.06047	1.8
249.03856	1.2
259.02802	1.1
265.07028	2.9
271.04620	1.8
289.06915	1.4
300.99774	2.6
313.05450	3.0
331.06827	2.2
469.09586	2.1
469.32971	3.7
477.70731	1.1
487.10687	100.0
487.34256	28.5
488.11154	10.5
488.34222	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	487.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48368	1.2
59.01371	5.2
64.14542	1.1
67.01887	1.8
69.03439	2.5
69.87424	4.5
71.01386	8.6
72.99277	1.9
73.02937	5.1
79.01888	2.5
81.03456	2.3
83.01398	6.4
83.05043	5.9
85.02951	2.1
89.02438	3.6
93.03454	20.0
95.01373	4.2
97.02946	1.6
99.00871	2.4
99.04509	1.3
101.02412	2.1
107.01382	11.7
107.05045	2.4
109.02940	5.9
111.00894	7.0
111.04515	32.7
113.02432	4.7
119.03553	1.5
123.00884	29.7
123.04495	1.6
124.01656	1.2
125.02444	52.3
135.04518	1.7
137.02483	6.2
139.00381	8.8
139.03947	1.7
140.01105	3.1
141.01913	2.9
143.03546	1.2
151.00366	21.9
151.03998	1.7
153.01906	2.8
153.05536	3.1
154.02617	1.5
155.03500	16.7
167.03520	1.6
168.00659	5.8
169.01416	100.0
170.01695	2.6
173.04536	9.6
179.03511	2.5
181.01350	1.6
193.01370	2.7
197.04495	4.9
211.02435	17.0
253.03563	1.3
271.04614	3.6
307.63394	1.6
313.05768	8.2
317.50311	1.2
325.05527	1.9
331.02652	2.8
331.06674	53.6
332.07101	2.9
367.06775	1.2
409.07288	1.6
410.23123	1.2
451.08801	10.9
469.09863	53.6
470.10358	4.4
487.10913	57.2
487.34213	2.8
488.11444	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	486.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85389	0.4
53.04576	0.4
54.71284	0.5
59.01379	3.2
61.98829	100.0
68.10220	0.5
71.01377	1.2
71.53432	0.7
89.39545	0.4
101.02434	0.7
113.02483	0.5
120.39320	0.5
125.02460	1.6
133.41676	0.5
136.04933	0.4
145.02991	1.1
161.02495	1.3
177.05556	0.7
178.06111	0.5
276.58978	0.5
308.40244	0.5
333.36032	0.5
408.79153	0.5
486.33954	0.8
487.18597	0.6
487.24799	1.0
487.35281	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	486.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94003	0.4
59.01377	2.5
59.01629	0.4
61.98827	100.0
71.01378	0.9
71.53382	0.8
73.02953	0.6
85.02954	0.7
89.02464	0.5
93.03465	0.7
101.02433	0.8
119.05026	0.9
125.02480	0.7
133.03001	1.2
135.03029	1.0
145.02925	1.4
148.35738	0.4
153.01985	1.0
161.02460	2.6
162.02821	1.3
163.04031	0.6
173.46094	0.4
175.04025	0.5
177.05591	0.4
205.05008	0.5
218.11040	0.4
241.40222	0.4
319.62268	0.5
415.75586	0.5
486.20798	1.5
487.10699	1.0
487.34583	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	486.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34457	0.4
64.57675	0.3
69.03423	0.4
88.04043	52.5
98.44196	0.5
147.08162	2.3
149.09634	2.0
161.09703	0.9
163.11235	2.9
187.11272	2.3
203.10725	0.5
243.25017	0.4
265.12363	0.7
266.76697	0.4
271.58072	0.4
279.13770	0.8
280.14676	1.5
302.45520	0.4
307.17184	0.6
309.22232	2.0
321.18359	0.5
322.19421	0.6
337.21725	100.0
338.18259	0.7
338.22052	9.2
376.19833	0.5
382.27441	0.7
421.85565	0.4
444.10501	0.4
469.33188	1.2
486.26895	12.3
486.32956	0.7
487.27206	1.7
487.34097	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	486.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76751	0.4
54.24348	0.4
59.01381	2.4
61.98829	100.0
69.50571	0.5
70.91987	0.4
71.01392	2.2
71.52777	0.7
75.00848	0.5
83.11176	0.4
85.02953	1.6
89.02448	1.1
96.96012	0.7
101.02449	1.3
113.02446	0.6
119.05038	2.0
125.02458	1.4
135.04550	1.1
136.04753	0.5
145.03004	1.0
145.17796	0.5
160.01678	1.3
161.02399	2.1
161.04614	0.5
161.06088	0.5
163.04028	1.4
169.01459	2.3
175.04057	1.6
176.04437	0.7
179.05782	0.5
191.05656	1.2
193.05058	0.6
194.05351	0.5
195.05043	0.6
300.99930	0.8
323.07721	0.8
333.86432	0.5
486.17276	1.8
487.14529	1.5
487.34415	1.4
487.97183	0.5
488.60654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3271
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
52.92346	0.6
57.03447	0.7
64.96132	0.6
65.14932	0.5
71.01409	0.7
71.05009	2.1
77.60057	0.6
80.01585	0.6
83.04978	0.7
85.34200	0.6
97.06570	3.7
103.01368	0.7
109.26015	0.6
112.41333	0.6
113.74711	0.6
137.09625	0.6
229.24872	0.7
229.26973	0.8
247.19832	0.6
255.23245	0.8
256.23520	1.0
257.23889	1.5
374.26086	0.9
389.28427	1.3
391.29761	1.6
405.31656	3.7
406.31915	0.7
407.33179	6.1
425.30554	3.1
437.30444	1.0
439.31775	1.2
441.33694	6.5
451.32120	18.8
452.32358	1.6
453.33734	52.5
454.33990	6.5
471.34747	2.0
485.32541	100.0
486.32962	14.2
495.98883	0.6
497.32761	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	485.327
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
59.01358	0.9
62.90036	0.5
65.66403	0.5
65.70730	0.5
71.04996	1.6
71.52866	0.7
71.53236	0.7
103.14232	0.5
108.11734	0.6
127.35934	0.5
151.08815	0.5
193.68771	0.6
377.32211	0.5
379.29877	0.8
393.31284	0.6
395.33038	1.0
413.34232	28.8
414.34750	2.6
421.31433	0.7
423.32626	1.3
439.32108	1.2
441.33783	8.9
442.33795	1.0
457.33212	2.5
467.31509	3.1
485.32526	100.0
486.32953	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	485.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92522	0.5
58.00594	0.7
67.98990	0.6
71.01345	0.7
71.05011	2.7
97.06586	4.6
103.81271	0.5
162.53844	0.6
173.03545	0.6
181.35300	0.5
205.15700	0.7
213.00578	0.5
238.75293	0.6
255.23268	0.9
256.23495	0.8
257.23944	1.2
389.28436	1.5
391.29950	1.9
405.31619	4.8
406.31836	0.8
407.33286	6.0
408.32993	0.6
423.28119	0.7
425.30356	1.9
437.30283	1.1
439.31763	2.0
441.33731	5.5
442.33459	0.7
451.32211	20.9
452.32434	2.8
453.33704	61.1
454.34042	6.7
467.31537	0.9
471.34933	2.7
485.32547	100.0
486.32849	13.6
497.32898	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	486.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72291	1.2
59.01381	9.4
61.98829	100.0
69.28802	3.3
69.29214	7.8
71.01377	5.1
71.01742	1.2
73.02940	1.9
79.39239	1.3
85.02942	1.5
85.06629	1.3
89.02431	4.5
98.19868	2.3
99.00882	5.0
101.02467	2.8
113.02477	2.7
119.03509	2.0
119.05012	4.7
121.03040	1.7
125.02509	2.0
130.08739	11.3
133.02943	15.5
135.04500	4.0
145.02943	5.3
149.04547	2.8
153.97906	1.3
158.18150	1.2
161.02440	64.6
162.02835	1.8
163.03987	3.8
191.05536	2.3
193.35669	1.3
198.41591	1.4
221.04506	1.3
232.82446	1.3
275.84845	1.3
323.07556	1.6
347.97733	1.4
423.16571	57.5
424.16870	4.6
438.03699	1.6
448.22617	9.7
485.32941	2.3
486.20557	2.1
486.27051	11.3
486.32990	2.6
487.11279	1.6
487.35089	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	485.3271
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
51.98119	0.4
70.77609	0.4
71.05020	3.5
93.22605	0.5
111.14357	0.4
339.27008	0.6
377.28467	0.7
393.31509	0.7
405.31595	0.7
409.31119	0.6
423.32578	0.6
425.25562	0.5
425.30722	1.8
437.30563	1.0
439.32379	0.5
441.33786	1.2
467.31644	13.1
468.31943	1.4
485.32706	100.0
486.33057	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	485.3269
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
57.23473	0.5
71.05013	3.0
78.08349	0.5
83.80975	0.6
92.13158	0.5
98.19830	0.9
98.80682	0.4
99.04478	0.6
114.27243	0.5
123.98375	0.5
129.27267	0.5
178.10139	0.6
292.29614	0.5
377.28220	1.6
393.31488	1.2
403.30038	0.7
421.31268	0.7
423.32678	2.3
425.30719	2.5
437.30502	2.3
467.31665	10.9
468.31985	2.1
485.32697	100.0
486.33023	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	485.3271
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
55.16494	0.4
70.01731	1.7
71.05012	3.4
71.85271	0.4
81.86996	0.3
83.04986	0.5
85.79684	0.3
90.50525	0.5
98.20570	0.4
120.51859	0.5
145.65659	0.3
219.73145	0.4
276.32867	0.4
287.79916	0.4
326.34488	0.4
376.03668	0.4
377.28772	0.9
393.31720	1.4
421.31052	0.7
423.32913	3.0
425.30499	1.9
437.30774	0.5
441.33789	1.7
455.31921	0.8
467.31659	11.4
468.32074	1.1
485.32709	100.0
486.33078	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	485.327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03678	0.7
60.99289	3.3
66.27217	0.7
69.23396	4.8
69.23812	1.9
69.33722	0.6
71.01381	1.0
71.05007	1.4
83.05024	1.6
85.06615	0.8
97.06576	1.9
109.06615	5.4
115.53971	0.7
116.47721	0.7
133.72282	0.7
137.61078	0.7
141.05745	0.7
145.58052	0.9
187.49286	0.8
205.15971	1.2
211.61301	0.7
215.14474	0.7
215.86122	0.7
231.17564	0.9
234.62238	0.8
249.18562	3.1
267.19632	2.8
305.21127	1.7
373.25168	0.9
385.27649	0.8
391.30161	1.5
405.31818	8.1
409.27451	1.8
421.31128	5.3
423.27701	1.2
423.32773	23.8
424.32993	2.7
425.30652	2.1
437.30490	2.4
439.32138	38.5
440.32703	3.9
441.33694	23.9
442.34183	2.3
455.31598	11.8
456.32214	1.3
467.31625	7.3
468.32065	1.3
485.32718	100.0
486.32986	11.3
499.30133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3271
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
53.16010	0.5
65.93368	0.4
70.85651	1.0
71.04684	0.4
71.05009	2.3
100.76334	0.4
109.44860	0.4
121.44296	0.4
227.81328	0.4
299.69876	0.5
368.91504	0.5
377.28519	0.8
393.31656	1.9
405.31619	0.7
423.32553	1.3
425.30499	0.9
437.30585	1.0
441.33929	1.0
467.31586	12.5
468.31973	1.3
485.32721	100.0
486.33090	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	485.3272
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
52.43987	0.9
69.92842	1.9
69.93233	2.8
71.05022	35.4
74.73930	1.1
82.68944	0.9
86.87650	1.0
97.06618	1.2
98.80691	1.1
99.61482	1.1
110.04195	1.0
115.61395	1.1
128.71701	1.1
133.23563	1.0
147.32114	0.9
173.13362	1.5
205.15973	6.4
215.27342	1.0
321.22470	1.1
326.75592	0.9
337.25482	2.4
349.25424	2.4
351.26959	17.8
352.27271	1.8
355.26480	2.7
359.27734	1.9
367.26593	3.8
369.27969	58.6
370.28516	4.7
375.30673	3.4
382.97958	1.0
401.27054	14.1
407.29675	6.1
413.26913	16.8
414.27100	1.9
421.31686	1.3
439.32141	2.4
441.33685	4.0
485.32846	100.0
486.26804	1.4
486.33163	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	485.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81200	0.6
55.90142	0.6
56.38227	0.6
56.47096	0.5
69.20012	1.7
69.20421	3.8
71.05018	1.8
83.05022	4.4
357.27942	1.3
405.31683	2.2
407.29337	1.3
413.30539	0.9
421.31113	1.0
423.32538	2.5
425.30872	0.8
437.30392	1.2
441.33682	1.0
449.09976	0.7
450.41971	0.6
455.31775	0.7
467.31631	19.4
468.32031	2.8
483.21710	0.7
485.32715	100.0
486.33069	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	485.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.4
59.01109	1.5
59.01381	22.1
61.98822	1.3
67.01886	1.3
69.03456	1.3
71.01380	15.3
72.99302	1.6
73.02952	1.2
75.00854	1.0
79.63953	0.9
83.01417	1.4
85.02953	13.4
87.00887	1.6
89.02443	13.9
93.03452	2.0
95.01363	1.6
96.96051	1.3
97.02937	1.2
98.19874	2.2
99.00885	1.3
101.02442	9.6
107.01395	2.4
107.04940	1.1
109.02933	1.3
111.00884	1.6
113.02456	6.7
117.03493	1.7
119.03492	7.1
123.00893	2.7
125.02448	11.8
129.01897	2.0
131.04933	0.9
132.02150	1.4
133.02951	19.3
134.03796	5.2
134.04630	1.0
135.04524	51.6
136.04820	2.6
137.02444	4.6
143.03453	1.5
145.02925	1.2
147.03035	1.5
148.05344	1.8
149.06100	9.6
151.00414	1.3
159.04564	1.0
160.01607	1.7
161.02441	100.0
162.02814	2.7
169.01414	15.8
170.01776	2.2
172.44958	0.9
175.03990	2.7
177.01787	1.0
177.04022	3.2
177.05519	15.3
178.02762	2.0
179.03496	50.4
180.03816	2.0
181.88029	1.1
191.01929	5.2
191.05560	2.2
191.07118	2.0
193.05054	2.8
203.03404	1.7
221.04538	22.0
222.04837	1.1
235.06128	4.3
240.72063	1.0
251.05669	12.9
281.06653	21.0
323.07666	20.2
323.13419	54.7
324.07693	1.8
324.13806	3.4
329.05164	1.2
341.08786	6.7
467.15128	1.0
473.53363	1.2
485.15994	64.3
486.16000	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	485.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17559	1.1
55.01859	1.2
57.03432	3.4
58.00583	1.0
59.01378	29.1
69.98361	1.1
71.01011	1.7
71.01382	26.8
71.52470	0.9
72.99286	2.0
73.02944	9.2
83.01389	3.1
83.63004	0.9
85.02953	18.4
86.00110	1.6
87.00882	6.0
89.02441	12.5
91.61868	0.9
93.03451	1.4
95.01394	3.1
95.52333	1.0
96.95982	5.0
97.02939	1.2
99.00866	2.6
101.02439	19.1
103.61739	0.9
111.00880	1.4
113.02444	11.6
115.92076	1.4
119.03535	4.9
119.05013	2.5
120.98451	1.0
123.00882	1.6
123.04546	1.0
125.02415	3.9
129.01941	2.3
131.03503	5.5
133.02928	2.3
134.03714	1.3
135.04492	2.5
137.02487	2.0
145.02954	2.2
146.04855	1.3
147.03011	2.2
149.06059	1.2
159.02997	1.0
160.06435	7.0
161.02525	5.8
161.04591	8.8
161.07207	68.9
162.07549	1.8
163.03973	3.2
164.24548	1.1
169.01382	2.9
175.07361	1.8
175.08757	21.3
179.05583	1.4
187.08743	2.7
189.06693	93.9
190.06987	3.3
191.01947	3.4
191.05632	9.4
193.01480	1.2
193.05116	1.4
203.08266	20.1
205.05002	1.1
209.02950	2.1
221.04659	1.5
221.06601	7.8
229.09772	2.7
231.21883	0.9
244.20779	0.9
275.01941	1.2
277.11859	1.5
281.13773	0.9
300.99799	3.8
305.11459	13.1
306.11655	1.0
323.12384	2.2
339.08261	1.4
367.09955	1.0
467.16751	1.9
469.79391	1.1
485.17770	100.0
486.17929	10.6
501.21552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3127
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
50.28199	0.5
57.77127	0.5
68.99809	1.0
71.01387	0.6
71.05012	1.0
78.95896	0.9
79.82315	0.5
83.05002	0.5
84.28504	0.4
97.02900	1.0
135.04474	0.6
151.07654	6.6
152.99573	1.5
167.33099	0.5
194.95261	0.5
212.07771	0.5
221.15515	0.8
246.04556	0.5
247.04762	1.2
254.22102	0.6
260.19568	0.5
323.20099	0.9
348.03384	0.5
391.26294	0.5
405.27829	1.1
420.30115	0.7
421.31073	13.2
422.31360	1.3
423.29053	0.9
429.11670	0.5
437.30569	1.2
439.32144	4.2
440.32883	0.6
465.30017	8.0
466.30377	1.2
483.31180	100.0
484.31519	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	484.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.98831	100.0
69.55988	3.0
71.01414	0.6
85.02959	1.5
90.29443	0.4
93.03452	0.5
93.11392	0.5
95.01358	0.5
105.03453	0.7
109.02979	0.6
111.00893	0.7
113.02393	0.6
119.04961	0.5
123.00919	2.1
125.02465	2.0
126.02861	0.5
133.02943	1.8
133.60408	0.5
137.02533	0.5
139.00418	0.5
140.01146	0.8
145.02948	0.9
151.00403	1.2
152.01141	0.8
153.01976	0.6
163.04024	0.9
168.00549	0.8
169.01483	2.8
176.01170	0.6
177.01930	19.6
191.01898	0.5
194.37886	0.5
220.43182	0.4
288.41965	0.4
299.98755	0.8
300.99826	1.7
302.00287	0.9
339.07184	1.1
367.21585	0.7
397.73489	0.5
484.18915	4.0
485.10898	1.9
485.20566	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	36.4
59.23027	1.4
71.01378	18.9
81.87695	1.1
85.02948	5.2
88.07093	1.3
89.02446	24.5
95.01360	1.5
101.02428	13.0
109.02928	2.5
113.02435	9.5
119.03491	11.8
133.02950	19.0
134.03709	4.2
135.04523	76.5
136.04828	2.3
137.02422	3.2
148.05307	2.7
149.06073	15.4
161.02440	73.0
162.02762	2.8
177.05559	26.0
178.02617	1.6
179.03503	75.2
180.03860	2.0
186.54543	1.4
203.03484	3.0
221.04550	34.3
229.31467	1.4
251.05595	19.6
257.13458	1.3
261.49304	1.4
281.06656	31.1
282.07300	1.7
323.13452	78.6
324.13855	4.2
341.08725	8.5
364.30447	1.3
485.16617	100.0
486.16827	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	483.3115
Annotation	Ganolucidic acid E
Peak:m/z	Relative Intensity
61.31412	0.5
62.68174	0.5
65.67513	0.5
69.22066	5.3
71.05006	1.2
71.78109	0.5
83.05020	2.7
95.05025	0.8
97.06590	0.7
110.04945	0.5
110.19544	0.6
111.52694	0.5
152.90250	0.5
155.02057	0.6
325.25406	0.6
355.26407	1.3
375.26776	0.9
377.28506	0.8
391.30057	7.3
392.30157	1.1
401.28079	0.7
411.28937	1.0
421.31186	3.7
423.29086	0.8
435.28577	0.7
437.30356	0.9
439.31982	2.1
447.29095	0.9
453.30035	1.5
465.30066	15.9
466.30368	1.6
483.31128	100.0
484.31564	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	483.3113
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
70.38684	1.5
71.05019	2.0
94.25218	0.4
95.04996	0.7
97.03001	0.5
102.94429	0.4
134.05038	0.4
137.06071	1.0
221.46547	0.4
250.54327	0.4
254.40100	0.4
300.99911	1.1
367.26181	0.5
382.07782	0.5
409.31198	0.8
419.29669	0.6
421.31143	5.6
423.29016	1.8
437.30670	2.8
439.32193	3.5
447.28934	1.3
453.30164	0.9
465.30066	15.3
466.30344	2.0
483.31137	100.0
484.31470	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97644	0.4
70.24943	0.4
78.95905	16.2
84.53873	0.4
90.54466	0.5
96.96962	1.6
100.48293	0.4
152.99580	30.3
153.99940	0.5
171.00645	1.3
181.01033	0.4
186.33043	0.4
202.33363	0.5
215.17696	0.4
227.03249	3.7
245.04225	0.8
250.63248	0.5
255.23277	100.0
256.23602	5.5
263.18301	0.4
391.22501	1.0
463.34082	0.5
465.29984	0.7
483.27213	52.8
484.27512	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67921	0.4
69.40051	1.2
69.40474	1.8
77.98833	0.4
78.95903	6.6
80.73327	0.5
85.43134	0.4
89.76923	0.4
96.96990	0.4
105.16610	0.3
105.66528	0.4
106.52301	0.4
152.99590	14.2
171.00623	1.5
227.03253	3.6
244.85423	0.4
245.04222	1.2
255.23282	100.0
256.23621	7.0
291.18054	0.4
453.78342	0.4
483.27231	29.2
484.27475	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	483.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.2
61.98815	3.0
69.39745	5.5
71.01362	3.2
71.05025	1.1
73.02962	0.9
73.85078	0.7
83.05009	1.1
83.15630	0.6
85.02932	1.7
88.04133	0.8
89.02467	1.7
93.03459	0.9
96.96001	0.8
101.02428	1.6
113.02421	0.9
114.18222	0.7
125.02441	1.8
130.02988	0.7
153.02010	0.8
160.84196	7.2
169.01378	1.9
191.05557	1.6
201.01791	0.9
201.78099	0.8
229.15860	0.9
243.61140	0.9
270.98758	1.0
298.98245	2.3
299.98987	2.1
300.99951	6.9
310.15857	0.7
319.24426	1.4
334.81635	0.8
391.26447	1.4
409.27454	1.0
421.31165	7.4
439.32153	100.0
440.32513	9.4
443.31595	2.1
450.99460	1.1
453.30804	1.2
465.30331	2.0
471.31003	2.9
483.02759	0.9
483.18356	1.4
483.31589	18.1
484.31653	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
59.01376	3.8
61.98820	1.1
67.01884	1.3
69.03449	1.5
69.35135	1.4
69.35562	1.5
70.75035	0.3
71.01378	4.6
72.99297	1.6
73.02958	0.8
75.00868	5.8
79.01887	0.9
81.03445	0.4
83.01395	1.0
85.02950	3.7
87.00877	0.7
89.02454	1.3
95.01373	1.2
97.02940	1.6
99.00890	1.4
101.02432	2.3
107.01385	7.8
109.02945	0.6
111.00881	2.3
113.02416	0.7
115.04012	0.4
123.00883	10.4
123.04516	0.5
124.01656	1.2
125.02441	39.7
126.02757	1.2
128.33611	0.4
129.01956	2.0
133.02937	0.4
136.98828	0.9
137.02451	0.6
137.93932	0.3
139.00371	4.2
139.03966	0.4
140.01125	1.9
141.01953	1.1
147.04286	0.3
149.02432	0.3
151.00356	5.5
153.01958	0.7
159.02972	1.5
161.02391	0.5
165.05615	0.4
168.00627	3.6
169.01413	59.7
170.01752	1.5
177.04030	22.0
178.04355	0.6
181.01559	0.4
211.02466	2.7
271.04538	1.2
277.80072	0.3
289.07214	1.5
311.04016	0.8
329.05063	9.1
330.05545	0.6
341.06693	0.4
483.18695	100.0
484.19156	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	483.0781
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.73082	0.6
59.01386	2.1
67.01886	0.6
69.03443	1.5
69.97998	2.4
71.01381	3.2
79.01878	0.9
81.03488	0.6
83.01388	1.5
85.02956	4.8
89.02452	1.0
95.01347	1.3
97.02962	1.4
101.02434	3.8
107.01397	9.4
111.00909	0.6
112.02740	0.6
113.02443	5.3
123.00894	7.8
124.01595	1.2
125.02444	83.5
126.02781	1.7
128.17430	0.5
139.00388	2.0
140.01183	1.3
141.01971	0.8
151.00378	5.7
167.73061	0.7
168.00626	2.4
169.01418	100.0
170.01736	2.5
179.03458	0.9
193.01419	1.2
211.02469	5.1
223.02544	0.6
263.82327	0.6
271.04639	1.6
300.99982	0.8
313.05603	9.9
331.06671	21.2
332.07169	1.0
382.02429	0.6
483.07730	69.1
484.07996	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	483.1141
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
59.01371	2.2
68.99815	2.8
69.03452	1.3
71.01349	2.2
71.63190	0.9
72.54764	1.0
73.02931	1.1
75.00871	1.5
83.01379	1.7
84.72042	0.9
85.02946	6.1
87.00879	4.5
95.01383	1.6
96.96013	1.7
97.02956	1.4
98.19868	2.2
99.00874	5.8
101.02422	2.4
111.00867	2.9
113.02432	7.2
113.99583	22.3
115.00382	8.4
116.69417	1.1
119.05013	12.4
125.02432	2.1
125.09745	1.0
127.00392	3.9
129.01927	4.3
137.02492	1.2
139.00371	1.7
145.02950	2.4
149.39941	1.0
155.77792	1.0
157.01413	6.7
157.02611	0.9
163.04019	10.8
169.01430	3.8
174.01683	18.1
174.03011	1.9
175.02444	2.1
175.08478	1.2
181.01431	1.9
184.09105	0.9
255.58553	1.2
277.05615	40.7
278.05927	1.6
319.06607	1.3
337.07748	100.0
338.08038	4.6
344.75809	1.0
392.11157	1.1
423.09442	3.7
424.35788	1.0
483.11426	82.2
484.11725	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	483.187
Annotation	Globulusin A
Peak:m/z	Relative Intensity
57.03432	0.5
59.01378	4.0
61.14015	0.3
64.69568	0.3
65.00308	0.4
67.01881	1.1
69.03439	0.5
69.21441	2.5
69.21853	1.0
71.01376	3.1
72.99301	0.8
73.02956	0.4
75.00867	0.8
79.01895	0.9
82.00623	0.3
83.01402	0.8
85.02960	1.6
87.00880	0.5
89.02440	1.3
93.03520	0.3
95.01392	1.5
97.02919	0.5
99.00890	0.4
101.02444	2.1
107.01394	4.2
111.00909	2.6
113.02445	1.2
123.00883	15.4
124.01707	2.1
125.02443	17.6
126.02792	0.4
127.00376	1.0
136.98773	1.9
139.00369	6.4
140.01164	3.9
141.01910	2.0
151.00371	12.0
153.01901	0.8
158.91200	0.3
161.02409	0.4
168.00613	4.3
169.01418	25.6
170.01773	0.5
177.04025	2.8
181.04964	0.4
207.02769	0.4
211.02472	2.8
214.84956	0.4
266.84271	0.3
270.98801	1.0
271.01849	0.4
271.04727	1.9
285.00198	0.4
298.98355	1.3
299.99002	1.5
300.02701	1.3
300.99973	6.5
301.03412	1.2
302.00287	0.5
313.05679	0.9
316.12201	0.3
329.05154	1.0
447.09238	2.1
450.99384	0.7
473.92764	0.3
483.18674	100.0
484.19000	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	483.1871
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
55.01859	0.4
59.01364	1.4
61.98822	0.8
65.00317	1.1
67.01895	1.1
68.99803	1.2
69.26312	1.1
69.26743	2.1
71.01396	1.9
71.01731	0.3
72.99312	1.5
76.75845	0.3
82.00589	1.0
83.01379	2.1
86.00108	0.4
87.00855	0.9
89.02438	0.6
95.01340	0.8
96.99287	0.9
98.19931	0.6
99.00865	0.5
101.02445	0.5
103.45473	0.4
106.00598	0.7
107.01401	1.0
110.00119	2.1
111.00883	13.1
112.98867	0.4
123.00874	1.1
124.00777	0.3
124.01643	8.6
125.02467	2.3
127.00372	5.5
136.98807	8.7
137.99126	0.4
139.00368	12.9
139.01442	0.7
140.01158	21.4
141.01443	0.4
152.88672	0.3
154.99913	1.8
168.00636	33.0
169.01369	3.7
178.06328	1.2
235.26482	0.3
239.69626	0.4
259.13385	0.9
261.14871	3.8
277.14267	0.7
283.30920	0.4
300.99878	0.9
303.12320	1.9
305.13937	24.1
306.14407	1.7
315.47510	0.4
321.13400	0.9
439.19748	0.6
483.18689	100.0
484.19022	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	483.0779
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01373	1.9
61.85358	0.7
69.81702	1.6
69.82097	2.6
71.01382	2.4
81.03391	0.7
85.02927	1.5
95.01398	1.4
97.02925	1.0
98.19954	1.0
101.02420	1.8
107.01372	5.6
110.31619	0.9
111.00838	2.6
123.00873	5.2
124.01659	3.9
125.02445	94.8
126.02754	2.1
139.00314	3.2
140.01071	1.6
141.01968	1.1
151.00389	4.9
152.27692	0.9
162.46591	0.8
167.03514	1.2
168.00604	8.5
169.01422	100.0
170.01701	2.7
181.01376	1.9
183.02997	1.2
193.01369	1.6
211.02486	22.1
241.03326	1.8
271.04559	26.4
272.04947	1.0
277.05569	1.3
287.07663	11.8
300.99753	1.4
313.02258	1.3
313.05646	14.8
331.06711	26.3
332.06821	1.0
337.07660	3.5
403.16302	1.3
439.08774	29.8
440.08981	2.3
483.07629	51.3
484.08072	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14100	0.9
63.94989	0.9
65.72795	0.9
70.09447	4.2
71.44080	0.9
78.95901	41.9
82.43843	0.9
87.88640	0.9
88.17693	0.9
96.96960	2.6
98.19955	1.5
99.59657	0.9
113.66447	1.1
115.64355	0.9
120.03775	0.9
121.33746	0.9
132.60658	0.9
152.99580	57.5
171.00627	19.7
227.03201	3.7
245.04300	100.0
246.04605	3.0
253.21707	60.5
254.22041	3.4
258.26416	0.9
481.25690	41.2
482.26050	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56802	0.8
59.01371	1.4
65.92657	0.7
69.34095	5.8
69.34486	1.5
69.92638	0.8
90.29766	1.0
92.21880	0.7
95.01391	1.2
107.01383	2.6
110.02823	0.8
111.00822	0.8
123.00858	2.8
125.02464	8.1
131.43546	0.9
134.85641	0.7
139.00366	1.3
140.53694	0.8
151.00368	4.6
160.01585	1.0
168.00620	0.9
169.01416	12.9
172.01604	1.5
173.02449	2.4
177.04022	4.3
185.02431	2.1
197.72528	0.8
200.01151	1.6
201.01929	2.3
214.99783	1.9
216.00639	1.6
226.99879	1.6
228.00487	1.5
229.01440	4.1
242.99289	4.3
244.00052	2.3
245.00856	1.7
245.61023	0.7
254.99275	0.9
255.02997	2.2
257.00873	1.5
257.53491	0.9
270.98871	15.8
271.02377	2.5
271.99490	2.2
273.99127	0.8
282.98965	2.1
283.99637	4.9
285.00418	5.9
298.98322	24.8
299.99078	28.8
300.02670	6.4
300.99887	100.0
302.00287	6.4
323.01978	1.0
329.05099	1.3
351.01743	1.1
369.92374	0.9
407.00424	8.2
415.25726	0.8
447.09372	10.2
450.99420	10.2
451.99335	1.6
483.02191	6.7
483.18713	31.1
484.19177	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	483.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42036	1.8
72.84982	1.8
78.00599	1.6
88.13913	1.8
107.01404	3.0
116.00889	1.8
121.96973	1.9
123.00842	2.6
125.02432	4.5
148.01685	2.3
150.10672	1.6
151.00345	8.0
162.00989	1.9
169.01433	6.0
172.01653	2.4
178.99776	2.5
181.20682	2.1
184.03964	1.9
187.11391	2.1
201.01944	2.0
206.75247	2.0
214.99731	2.2
228.00652	2.8
229.01357	3.3
229.80733	2.1
242.16541	1.8
242.99289	4.3
243.02917	1.8
243.99951	4.8
255.02953	8.0
270.98987	16.6
271.02200	14.4
283.99628	3.0
285.00345	5.8
298.98349	24.7
299.99075	27.7
300.02695	25.4
300.99841	100.0
301.03421	22.3
302.00177	5.5
400.79089	1.9
407.00235	6.5
447.09363	37.1
448.09659	5.0
450.99530	10.6
483.01852	5.6
483.18579	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01374	2.7
61.98831	10.1
69.03461	1.1
69.24577	6.6
71.01385	4.1
73.02951	0.8
75.00877	1.3
76.41511	0.6
81.03477	1.7
85.02954	5.5
89.02412	1.0
93.03471	1.2
94.58080	0.7
95.01377	1.9
101.02430	2.1
108.02172	55.4
109.02957	51.2
109.03573	0.5
110.03296	1.6
113.02456	1.0
119.05001	0.9
121.02930	0.7
123.00871	2.4
123.04506	1.3
125.02412	3.0
133.02942	2.2
135.04497	1.7
137.02435	1.1
139.11328	1.0
145.02930	2.0
151.03979	1.0
152.01151	50.5
153.01930	32.8
154.02286	0.8
155.03482	0.7
160.01669	0.8
161.02437	3.9
163.04013	1.6
169.01456	1.3
169.25018	0.7
175.03964	0.9
177.01947	1.1
177.04076	0.7
179.03389	1.0
182.71773	0.7
183.10237	2.0
193.05096	0.7
205.03473	0.9
229.08627	0.9
245.74220	0.7
275.16553	0.8
297.06320	0.7
300.99835	1.2
315.07266	5.8
481.17062	100.0
482.17294	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.84819	0.4
59.01383	11.5
60.01707	0.7
61.98847	0.4
67.01876	1.9
69.03439	0.6
69.29319	1.3
69.29742	2.9
71.01007	0.5
71.01384	6.4
71.05024	0.5
72.68284	0.4
72.99306	1.4
73.02943	1.3
79.01886	2.9
83.01373	1.2
85.02928	1.1
89.02422	0.9
93.03448	0.4
95.01392	2.8
97.02969	1.6
98.20718	0.8
101.02437	1.9
107.01391	8.1
107.91679	0.5
111.00889	1.5
113.02438	2.0
117.56493	0.4
122.03712	0.9
123.00887	29.2
125.02448	31.3
126.02787	0.6
127.00418	0.4
136.98767	0.9
137.02425	1.6
139.00362	8.0
139.03979	0.5
140.01151	1.9
141.01945	3.4
147.11823	2.0
149.09711	2.0
151.00371	21.0
152.00653	0.6
152.99599	0.5
153.01875	1.3
165.01863	0.9
165.12848	0.5
166.99785	0.5
167.03500	1.2
167.10786	6.5
168.00623	4.2
168.75217	0.4
169.01422	51.0
170.01720	1.5
175.43291	0.5
177.05492	0.6
181.01465	0.8
181.12328	3.5
182.02235	0.4
183.02969	1.0
191.10783	3.4
193.01424	1.3
209.11833	2.7
211.02496	9.9
212.02788	0.4
222.23589	0.5
236.53041	0.4
253.03452	1.1
265.91080	0.5
269.14017	0.4
313.05682	4.5
320.88177	0.6
331.06668	1.4
341.28510	0.5
347.32584	0.5
421.14941	1.5
481.17123	100.0
482.17459	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03318	0.6
57.03420	0.9
59.01365	2.7
61.98823	8.8
68.47202	0.8
69.03469	0.8
71.01376	3.6
71.08609	0.6
71.30041	1.1
73.02923	0.9
81.03444	1.9
83.01389	0.9
85.02956	4.9
94.25140	0.6
95.01366	2.1
101.02450	1.8
108.02171	54.7
109.02953	47.8
110.03282	1.4
113.02450	1.7
119.04991	2.1
121.02960	0.9
122.65403	0.7
123.00828	2.3
125.02402	2.8
133.02939	1.2
135.04562	1.3
137.02399	1.0
139.11310	1.2
145.02922	2.0
151.03951	1.3
152.01144	55.0
153.01938	30.5
161.02420	2.6
163.03966	0.9
165.01869	0.9
169.01392	2.2
170.05049	0.7
175.04016	0.9
183.10243	2.2
186.96761	0.8
191.05624	1.3
225.24887	0.7
229.08699	1.0
274.36151	0.7
275.01834	0.8
300.99585	1.0
315.07175	4.3
481.17102	100.0
482.17303	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	481.0987
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
57.03445	1.8
59.01379	17.3
61.98827	2.9
65.00296	1.6
69.03474	2.6
69.84597	7.8
71.01382	18.6
71.05015	12.9
72.99284	1.4
73.02948	3.0
75.00887	2.3
81.03454	1.8
83.01374	5.2
83.05037	3.0
85.02943	5.5
87.00887	2.2
89.02436	15.9
91.01948	1.7
93.03455	5.5
95.01416	3.5
95.05009	3.8
96.96017	1.7
97.02943	16.8
98.99978	1.3
99.00873	3.1
101.02444	9.8
107.01379	11.8
108.02180	14.0
109.02949	16.7
109.49458	1.7
111.00886	4.8
111.04520	3.6
113.02486	7.5
117.03493	1.7
119.03532	4.0
119.05021	28.3
121.02952	4.2
123.00882	11.7
123.04531	5.0
124.01682	1.6
125.01527	3.4
125.02445	64.2
129.01938	1.7
133.02945	2.8
135.03000	3.4
135.04561	2.4
136.98900	1.6
137.02429	14.1
139.00383	8.0
139.04005	83.5
140.01126	3.7
140.04401	2.6
145.02975	4.4
149.04568	1.7
149.09769	9.2
151.00349	9.6
152.01149	30.7
153.01944	34.2
155.03539	3.5
157.08730	2.0
161.02437	3.7
163.04004	29.2
164.01126	1.8
165.01920	41.8
166.02242	2.2
166.99837	3.6
167.03488	23.7
167.10779	19.8
168.00662	2.1
169.01421	80.4
173.02402	2.5
177.04028	2.9
179.05658	5.0
181.01459	9.1
183.02931	10.1
189.01945	2.7
190.02728	2.0
191.03674	2.7
191.05583	3.3
193.01317	1.9
195.02963	3.1
201.01955	1.6
203.03627	3.4
207.03011	2.3
211.02495	2.9
213.02032	1.8
215.09091	1.4
217.01422	3.6
229.01457	6.5
231.03078	2.8
241.03520	2.6
241.14609	2.2
247.02361	1.9
251.01859	10.4
255.05133	4.4
257.00922	5.9
259.15543	4.7
275.01974	12.9
285.00555	1.9
287.59033	1.6
297.06253	5.9
298.98431	2.3
300.99908	22.8
301.03314	1.9
313.05637	48.6
319.08301	9.9
345.08200	31.9
345.11975	1.9
346.08591	1.9
362.82938	1.4
368.02826	2.3
391.03119	2.8
406.03632	4.2
421.20819	13.4
437.11053	7.4
450.99393	2.0
463.08270	7.6
466.02859	2.7
470.61194	1.6
472.52551	2.0
481.09949	100.0
482.04318	1.8
482.10214	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
64.31950	0.6
65.00323	0.9
65.57124	0.6
69.47330	5.2
71.01395	1.3
81.03462	1.3
83.05038	5.8
85.02962	1.4
93.03457	37.3
94.03844	1.1
94.98110	1.5
95.01408	1.2
96.96019	3.2
97.02922	1.4
108.02177	1.0
109.02937	3.3
111.04531	9.4
117.03475	3.1
119.05026	100.0
120.05385	3.4
121.02937	0.9
125.02451	2.1
137.02444	24.8
139.04030	1.8
145.02951	10.6
145.04022	1.2
150.03238	1.8
152.01164	1.5
153.01953	5.0
155.03505	17.4
161.02470	0.8
163.04010	88.4
164.04393	2.4
165.01962	1.6
165.05563	1.1
167.03511	1.8
169.01384	1.9
181.01463	3.4
183.03011	1.8
195.06628	1.7
229.01617	1.1
241.66214	0.7
275.02011	1.3
300.99899	2.9
306.30945	0.8
319.08218	62.1
320.08414	3.9
361.09213	2.2
391.03241	1.4
466.02954	1.0
481.13541	26.0
482.13785	3.2
509.42307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39944	0.6
59.01374	2.0
68.60456	0.7
70.27190	2.5
71.01360	1.8
92.53225	0.7
93.83845	0.7
101.02440	0.7
101.56042	0.6
104.78255	0.6
104.98717	0.6
112.98820	1.0
117.03445	0.8
123.00874	2.2
125.02431	0.6
142.90067	0.6
145.02959	2.2
147.04492	1.1
157.03006	1.5
159.04474	1.5
163.04018	1.2
171.84401	0.7
173.02460	2.7
175.04004	2.4
185.02464	3.7
188.55431	0.7
191.03479	1.8
201.02037	4.4
203.03502	6.6
213.01909	1.6
217.01382	1.0
219.03015	1.5
229.01411	11.5
231.02985	3.5
245.00885	1.9
247.02493	1.3
249.04065	2.7
257.00906	10.8
258.01575	4.3
274.01328	1.1
275.01965	45.8
276.02264	2.6
283.99609	2.2
299.99194	2.3
300.99872	100.0
302.00211	6.3
421.04028	2.6
481.06213	65.7
482.06509	5.4
505.57828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0986
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
51.22744	0.6
55.01877	0.7
56.35785	0.6
58.01208	0.6
59.01367	2.3
62.92036	0.5
67.01877	0.6
69.03462	1.4
71.01370	1.9
71.53052	0.8
73.02953	0.9
79.01887	1.3
81.03448	1.2
83.01393	1.7
83.86045	0.6
85.02941	2.8
87.72647	0.6
91.01878	0.6
93.03445	1.0
95.01371	2.3
97.02946	2.6
101.02428	1.4
107.01369	2.0
108.02171	2.5
109.02969	1.4
111.00874	0.9
113.02446	1.2
117.03391	0.7
121.02857	0.7
123.00880	6.8
123.04507	3.5
124.01665	18.2
125.02444	34.6
126.02787	0.9
136.01605	0.6
137.02467	3.2
145.02927	2.3
149.99579	30.2
151.00330	3.7
152.01158	3.4
153.01945	1.0
161.02481	1.2
166.99876	1.1
167.03491	10.2
168.00626	55.4
169.01382	5.5
187.07620	0.6
189.35291	0.6
191.03778	1.4
191.05595	25.1
193.01416	1.0
201.02040	0.7
202.06329	1.0
225.23573	0.7
275.01987	0.9
287.94513	0.6
296.05441	0.8
298.98154	0.6
299.99100	0.7
300.99936	1.3
311.07645	3.1
313.05618	2.2
331.06744	4.5
386.44263	0.6
449.14511	0.7
463.09155	3.0
481.09848	100.0
482.10352	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	481.0986
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
51.94368	0.9
51.99151	0.8
59.01379	3.8
61.98837	4.4
65.00334	0.9
67.01886	0.8
70.18602	2.5
71.01377	3.7
71.05017	23.4
73.02962	0.7
75.00867	1.7
83.01354	1.8
85.02948	1.6
87.00838	0.8
89.02429	2.3
93.03462	3.7
94.21058	0.7
95.01366	2.0
95.05016	2.2
97.02972	7.0
98.19971	0.9
101.02425	2.5
107.01380	1.8
108.02154	1.7
109.02948	30.4
111.00861	2.1
111.04491	1.3
113.02429	2.2
119.03456	0.8
119.05020	11.1
121.02930	1.9
123.00861	2.5
123.04515	0.9
125.02406	2.7
131.07146	1.1
135.02962	2.8
135.04459	1.7
137.02438	4.7
138.05534	1.0
139.00337	2.6
139.04005	100.0
140.04326	3.0
140.19598	0.9
145.02895	2.1
147.04500	0.9
152.01099	2.4
153.01927	49.2
153.05464	1.4
154.02272	2.2
155.03444	1.4
161.02400	2.5
163.04012	15.1
165.01903	7.1
166.99881	1.2
167.03452	0.9
169.01364	3.4
173.02420	1.9
175.04054	0.9
177.01877	1.2
181.01433	3.8
181.05081	1.0
183.02922	3.2
183.04364	0.8
185.02309	0.9
189.01917	0.8
191.03485	1.4
191.05403	1.0
195.02971	6.4
201.01846	1.7
201.09267	0.8
205.05067	1.0
215.03450	1.2
217.01450	1.1
229.01396	2.6
242.10539	0.8
245.00844	1.0
255.05115	3.1
257.00833	0.9
257.12943	2.8
273.00354	1.0
275.01917	4.1
297.06146	22.1
299.99222	1.1
300.99911	10.0
319.08029	3.2
325.03397	0.8
325.09085	1.0
363.11670	0.8
363.16571	2.4
391.02750	0.9
392.04208	0.9
437.10876	25.8
438.11047	1.8
448.92438	1.0
450.99393	1.0
463.08792	31.1
463.15570	1.8
464.08920	3.6
466.02728	2.3
481.09763	55.4
482.04028	2.9
482.10272	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	480.3095
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.06496	0.3
55.32673	0.3
61.98830	2.8
71.51511	0.3
78.95903	17.2
83.40623	0.3
97.00409	0.3
122.00121	0.8
125.02439	0.4
136.72719	0.2
137.02400	0.4
138.73378	0.2
140.01192	5.0
145.92731	0.3
152.99614	2.7
159.77605	0.3
196.03790	9.2
204.68805	0.3
214.04803	2.5
240.08995	0.3
243.40253	0.3
255.23056	0.4
283.26407	100.0
284.26773	7.2
284.29880	0.2
324.28705	0.3
354.10797	0.9
363.11649	0.5
480.30933	29.0
481.31448	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	481.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01414	2.2
71.01402	1.6
71.50227	0.9
72.93596	0.8
73.02975	0.8
73.33588	0.7
85.02987	1.5
89.19398	0.8
93.03462	1.6
95.01430	1.4
101.02418	0.8
103.00446	1.4
103.47414	0.7
116.92046	0.7
119.05069	2.2
123.00932	2.6
125.02494	1.5
133.02907	1.0
135.03014	0.8
137.02460	1.4
145.02977	2.2
147.04553	1.5
155.03596	0.8
157.02953	1.8
159.04568	1.5
159.41634	0.8
161.02463	1.1
163.04059	3.3
169.01463	1.5
173.02470	2.4
175.04031	2.9
175.23019	0.8
185.02472	3.4
189.01936	1.2
190.02763	0.8
191.03522	1.8
191.05609	0.9
201.01917	5.1
203.03546	5.3
213.01965	2.3
214.02769	1.2
217.01434	1.4
219.02966	1.9
226.99983	0.9
229.01418	14.0
231.02940	5.5
245.00931	1.8
247.02441	2.1
249.03995	2.6
257.00888	10.9
258.01694	5.4
273.00397	1.4
274.01132	1.1
275.01968	51.8
276.02289	2.6
283.99701	3.6
288.99850	1.0
299.99155	2.7
300.99884	100.0
302.00214	6.7
319.08173	1.7
387.13876	0.9
421.03952	1.8
423.44580	0.8
481.06058	66.0
482.06247	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	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87364	0.4
57.80679	0.5
58.43635	0.5
59.01352	0.7
61.98829	100.0
69.54031	3.5
70.20061	0.5
73.26105	0.4
91.32364	0.5
108.99622	0.6
109.69981	0.5
113.23493	0.5
161.75008	0.5
170.94963	0.5
260.97311	0.5
350.12161	0.6
446.01010	0.5
480.34229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
59.93867	0.5
61.65841	0.4
61.98829	100.0
62.17877	0.4
64.23593	0.5
69.26170	2.6
69.26589	1.4
71.01374	1.2
72.55386	0.5
72.99344	0.4
75.00880	1.8
85.02948	0.8
86.78316	0.5
87.00887	0.6
89.02429	0.5
95.85584	0.4
99.00881	0.5
101.02487	0.6
111.04473	0.5
125.13264	0.4
129.01997	1.1
161.02502	1.1
171.61331	0.5
177.04085	2.0
178.04390	1.0
183.02776	0.4
183.13957	1.5
184.14241	1.5
195.05115	1.7
196.05534	1.0
234.95433	0.4
278.84433	0.5
299.65787	0.4
301.84448	0.4
480.21732	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	480.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53825	0.2
56.56069	0.2
61.98829	100.0
67.48362	0.2
69.99773	1.0
76.38478	0.2
85.02972	0.3
104.04578	0.2
122.21797	0.2
125.02421	0.5
129.81413	0.2
169.01483	0.7
175.04013	0.2
480.24246	0.2
481.20554	0.3
500.22824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
61.98829	100.0
69.99553	0.8
69.99959	1.1
73.95846	0.4
125.02464	0.4
161.02557	0.4
336.21478	0.3
449.15118	0.4
481.20929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
61.98828	100.0
69.55685	3.2
71.01385	1.6
83.59245	0.5
85.02970	0.7
89.02455	0.6
93.03447	1.3
98.20677	1.0
101.02477	1.1
109.02977	0.9
117.08165	0.5
125.02472	1.4
125.18901	0.5
130.61499	0.5
133.02919	3.4
137.02475	1.2
145.03015	0.6
151.00389	0.6
152.01225	0.6
153.01997	0.9
161.02425	10.1
169.01463	0.6
179.03471	0.7
222.11473	0.5
264.07813	0.5
273.00299	0.7
289.16583	0.5
298.04691	0.7
300.99762	0.6
319.14072	1.0
335.06662	0.5
342.00470	0.5
382.11554	0.6
421.20969	1.3
451.00003	0.5
480.10284	3.2
481.16968	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	480.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69479	0.9
56.02519	1.0
59.01382	35.1
61.02345	0.8
61.98830	100.0
63.29926	0.9
66.26925	0.9
69.33759	6.9
71.01387	5.1
73.02947	1.0
79.46887	0.8
85.02946	3.7
87.00841	0.8
89.02419	0.9
101.02457	2.7
113.02459	1.6
123.00784	1.2
125.02424	2.0
133.02782	0.9
151.00398	0.8
161.02411	2.0
161.04575	1.9
168.00565	0.9
169.01419	1.7
187.07651	1.0
191.05594	10.5
255.02948	2.2
284.03241	2.4
285.03937	0.9
314.66248	0.9
331.17606	4.8
373.18332	2.4
417.08142	3.7
480.25186	3.6
481.17191	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	480.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	31.4
61.98829	100.0
67.92737	1.2
71.01381	3.4
71.29720	1.9
71.37973	1.1
73.02910	1.5
85.02941	2.9
86.68697	1.3
89.02412	1.7
99.27215	1.2
113.02403	1.4
125.02427	1.5
133.13863	1.3
156.23495	1.3
161.02477	1.7
161.04523	2.0
169.01471	1.5
181.69232	1.2
183.10243	1.2
191.05624	13.3
224.61493	1.4
354.74881	1.3
362.22488	2.0
449.14859	2.0
480.11172	1.7
480.18118	1.7
480.24850	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	480.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03254	1.0
53.17656	1.3
54.50617	1.1
59.01376	33.8
60.45336	1.1
60.51659	1.1
61.98829	100.0
69.61881	7.9
71.01349	2.8
74.65393	1.2
83.50912	1.1
85.02935	2.0
89.02445	1.4
97.02904	1.4
98.19904	2.4
101.02470	1.4
105.77425	1.3
106.14766	1.3
113.02441	2.1
125.02500	1.5
153.33630	1.3
162.40782	1.2
164.69586	1.2
169.92732	1.8
178.84828	1.2
275.88818	1.2
331.17450	1.8
394.50565	1.2
491.26883	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	480.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62424	2.7
59.01367	10.4
59.58335	2.2
61.98827	100.0
69.21964	24.0
71.01351	2.7
77.89513	2.5
85.02950	5.7
87.00896	3.3
89.02448	3.0
93.03443	4.7
107.42820	2.2
141.47704	2.8
144.29416	2.7
145.02922	3.1
161.02403	7.4
191.05605	40.8
227.03461	20.8
255.02945	19.4
284.03214	24.5
285.03940	9.0
417.08273	48.7
417.17322	2.9
418.08353	5.2
481.17044	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	480.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97274	1.2
56.01474	1.2
59.01335	1.7
61.98829	100.0
63.71868	1.1
68.61247	1.2
75.36878	1.1
75.86146	1.3
80.76551	1.4
85.02933	2.6
89.02416	1.4
125.02473	2.4
130.69852	1.3
151.00342	2.5
152.03857	1.1
169.01422	2.1
183.13835	1.8
184.14268	2.0
191.05615	13.4
227.03484	21.0
255.02986	24.6
256.03610	4.9
284.03247	37.4
285.03964	8.3
298.15262	1.3
392.06729	1.4
417.08261	51.4
418.08392	4.1
438.14981	1.7
448.97491	1.4
481.17245	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	480.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.2
60.01722	1.1
61.21868	0.7
61.88415	0.5
61.98829	100.0
69.29497	3.7
69.29924	2.3
71.01386	2.3
73.02952	0.7
85.02962	1.1
89.34975	0.6
92.04585	0.6
101.02422	0.8
107.05007	0.8
113.55524	0.6
121.02962	8.6
122.03271	3.6
133.02985	0.9
135.04549	0.9
137.02541	1.1
142.51746	0.6
145.02985	2.3
146.03331	1.4
153.01945	1.5
161.02469	1.1
163.04037	1.0
169.01543	0.8
175.16846	0.7
292.03326	0.6
300.99948	1.2
384.11108	0.7
405.26260	0.7
479.30695	1.1
480.30994	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	6.3
58.00559	2.4
58.47388	1.3
59.01377	8.8
61.98833	12.1
66.19439	1.3
69.03426	1.6
69.40068	8.2
69.40493	4.9
71.01384	15.6
72.99308	2.2
75.00872	51.7
83.95368	1.7
85.02944	17.3
87.00877	11.1
87.67275	1.6
89.02427	3.5
93.03431	1.6
97.74420	1.4
99.00881	8.5
101.02422	2.6
105.01936	7.9
111.00879	3.6
115.03902	1.6
119.05047	1.8
126.68179	1.5
129.01953	19.6
141.01903	4.3
145.02934	2.6
147.37335	1.7
156.18167	1.5
159.02977	9.9
161.02452	3.8
161.42828	1.4
165.12801	4.4
177.04028	56.8
183.13882	48.1
184.14183	1.9
190.00444	1.4
195.05107	42.6
209.11739	2.3
214.02356	1.5
227.12679	3.6
235.68967	1.6
301.16595	18.6
346.27490	1.7
413.18210	2.2
443.19061	2.4
479.21298	100.0
480.21872	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	479.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
57.03443	1.6
58.00603	0.6
58.31604	0.5
59.01378	100.0
60.01715	1.0
61.98829	1.7
71.01382	12.7
73.02943	11.4
75.00883	0.5
82.40051	0.5
83.01382	4.4
85.02947	8.5
86.00085	0.5
86.03277	0.5
86.42265	0.5
86.55195	0.6
87.00906	1.2
87.04492	3.0
89.02444	2.1
95.01399	0.7
97.02943	0.9
97.06577	0.5
99.00885	4.1
101.02442	14.2
108.04572	0.7
111.00913	0.7
113.02455	5.4
121.32345	0.5
125.02447	1.1
131.03505	1.2
133.68922	0.6
143.03503	1.0
151.00438	0.7
159.03043	0.6
161.04550	3.0
213.34720	0.6
224.54237	0.5
260.28287	0.6
261.38947	0.6
269.75299	0.5
287.18677	0.9
293.69470	0.6
305.19693	13.6
306.20337	0.6
322.33130	0.5
347.20697	1.1
419.22824	1.1
437.23880	20.6
438.24408	1.3
461.32681	0.7
463.03412	0.5
468.62482	0.6
479.09540	0.6
479.25098	21.4
479.33380	4.7
480.25491	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01722	0.8
61.98832	28.4
62.63306	0.8
65.84904	0.9
69.33305	0.8
69.33526	3.1
69.33952	4.9
71.01377	3.9
71.05008	1.0
73.02962	4.2
76.36138	0.8
82.96040	0.8
83.01420	1.4
85.02953	3.8
87.04518	5.0
89.02444	1.0
91.93313	0.8
97.24746	0.8
99.00883	2.6
101.02470	4.2
113.02432	2.4
124.01642	1.1
125.02418	1.5
137.02412	1.2
161.02455	0.9
161.04616	2.0
191.05605	1.9
209.11815	1.3
227.12631	0.9
269.86295	0.9
299.02127	1.0
305.19666	4.0
318.45801	0.9
377.49124	1.0
437.23959	6.3
443.27823	1.6
479.06946	1.0
479.15088	1.2
479.24011	5.9
479.29489	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	479.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49253	0.5
56.03279	0.5
58.93537	0.6
59.01378	100.0
60.01713	0.7
60.04135	0.5
60.90958	0.5
61.98823	3.0
63.91154	0.5
69.28346	4.6
71.01387	1.0
72.99331	0.6
75.92146	0.5
81.09986	0.5
81.59383	0.5
93.03484	1.8
98.19863	1.1
101.02477	1.3
107.05061	1.9
108.02166	5.5
113.02464	1.3
121.02964	11.6
121.03769	0.9
123.04516	8.3
123.05383	0.6
133.02975	1.2
135.00919	2.1
145.02982	1.9
151.04030	1.8
161.02452	2.1
161.04683	0.6
167.03513	0.6
216.30783	0.5
224.04889	0.7
224.75412	0.6
225.05539	6.6
225.07521	0.6
257.08182	45.5
258.08472	3.1
319.47940	0.6
479.07297	0.8
479.18921	1.2
479.24768	1.0
479.31720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49253	0.5
56.03279	0.5
58.93537	0.6
59.01378	100.0
60.01713	0.7
60.04135	0.5
60.90958	0.5
61.98823	3.0
63.91154	0.5
69.28346	4.6
71.01387	1.0
72.99331	0.6
75.92146	0.5
81.09986	0.5
81.59383	0.5
93.03484	1.8
98.19863	1.1
101.02477	1.3
107.05061	1.9
108.02166	5.5
113.02464	1.3
121.02964	11.6
121.03769	0.9
123.04516	8.3
123.05383	0.6
133.02975	1.2
135.00919	2.1
145.02982	1.9
151.04030	1.8
161.02452	2.1
161.04683	0.6
167.03513	0.6
216.30783	0.5
224.04889	0.7
224.75412	0.6
225.05539	6.6
225.07521	0.6
257.08182	45.5
258.08472	3.1
319.47940	0.6
479.07297	0.8
479.18921	1.2
479.24768	1.0
479.31720	0.6
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
53.86153	1.5
57.03447	6.2
58.87668	1.4
59.01382	17.4
61.98826	22.8
62.01024	1.4
69.03451	2.0
71.01382	21.3
72.99299	4.5
73.93677	1.5
75.00874	48.4
85.02954	14.5
87.00883	14.2
87.02705	1.4
89.02440	7.1
93.03452	3.4
97.02952	1.9
97.41090	1.8
99.00894	10.2
101.02442	4.2
106.85322	1.7
109.02963	1.5
111.00876	2.3
113.02425	1.7
121.03014	1.6
129.01942	26.0
135.03065	1.6
141.01962	2.6
145.02956	4.5
149.02505	2.1
151.04053	5.6
152.01186	1.8
159.02963	8.4
161.02469	3.3
162.02754	1.6
163.04053	2.3
165.12842	4.4
169.01398	1.7
175.04047	2.5
177.04036	96.7
178.04369	2.0
183.13889	39.3
191.05536	2.2
195.05090	35.5
195.06810	2.8
227.12978	3.8
251.12935	1.9
273.11395	1.8
292.21924	1.5
301.16562	8.7
313.09152	3.1
317.14087	2.5
361.18933	1.8
386.83359	1.6
387.16998	1.8
443.19174	4.6
479.21289	100.0
480.21777	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	479.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.2
57.33369	0.9
59.01369	9.8
61.98827	1.8
65.00322	1.2
66.84885	1.0
69.24331	8.8
71.01366	2.9
72.99287	1.9
73.02911	1.8
75.00835	2.5
81.72479	1.1
85.02943	1.6
86.49351	1.0
87.00901	1.2
88.98775	1.8
89.02432	3.2
93.03435	3.1
96.95991	1.7
98.20719	2.0
101.02425	1.5
107.01390	3.8
108.02142	1.8
109.02961	2.5
112.63058	1.1
113.02435	1.2
119.05013	1.8
124.01651	2.6
125.02401	3.6
135.00803	1.2
135.02982	2.2
135.04488	3.7
136.01628	1.7
137.02437	5.4
145.02925	3.0
149.02454	1.7
150.03200	2.5
151.00356	8.7
152.01103	3.1
153.01901	1.6
161.02403	2.6
163.00327	2.5
164.01108	3.1
165.01883	1.8
165.05486	3.4
169.01396	2.2
178.99876	9.1
181.05058	1.2
181.12288	1.4
191.05652	1.4
194.51392	1.0
197.65117	1.1
199.13301	1.8
214.02675	7.0
215.03227	1.4
225.83444	1.1
227.03618	1.4
242.02255	6.4
242.04276	1.3
243.02756	4.5
243.12355	2.4
259.02466	7.6
267.20871	1.0
270.01605	8.3
271.02441	42.7
272.02744	3.4
287.01935	22.1
288.02374	3.3
299.01874	2.1
315.01379	1.7
316.02209	100.0
317.02884	22.2
317.19507	1.1
361.15063	1.4
361.22202	2.2
419.19040	1.1
431.17178	1.3
443.15561	2.2
452.34622	1.3
479.08148	78.3
479.18436	2.3
479.24802	5.6
480.08884	7.9
495.84711	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	478.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37266	0.3
51.55183	0.3
59.01368	1.1
59.32035	0.3
61.98827	100.0
65.97288	0.3
66.07614	0.4
66.71623	0.4
69.43912	2.7
71.01384	0.8
71.16901	0.3
85.02959	0.4
89.02502	0.4
101.02448	1.0
104.30782	0.3
110.19083	0.3
119.05028	1.1
124.85191	0.3
125.02455	1.2
135.02992	0.3
135.04565	0.4
136.56555	0.4
137.02516	0.3
151.00465	0.6
169.01398	1.7
170.01727	0.6
201.01884	0.3
314.05930	0.5
330.26105	0.3
418.16974	1.0
478.10736	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	478.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46615	0.3
70.11725	1.5
75.41182	0.4
78.95905	8.3
98.19950	0.3
105.22395	0.4
140.01190	1.8
152.99535	0.7
195.40691	0.3
196.03787	1.6
200.60081	0.3
203.30084	0.3
214.04846	2.6
258.77521	0.4
281.24844	100.0
282.25189	6.5
300.50784	0.4
478.29419	10.1
478.35999	0.8
479.29785	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	478.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98780	0.3
62.96394	0.4
67.06521	0.3
69.33344	0.6
69.33733	2.4
78.95903	30.1
80.30798	0.3
96.96959	0.8
110.26342	0.4
111.54337	0.3
122.00109	1.0
140.01202	4.7
149.65584	0.3
150.49315	0.3
152.99576	3.7
166.02730	0.3
171.00652	2.1
172.93866	0.3
196.02046	0.7
196.03793	10.1
197.04109	0.4
210.85709	0.4
214.04868	2.4
281.24835	100.0
282.25223	7.6
286.15680	0.3
291.65665	0.4
293.93362	0.3
404.25174	0.4
478.29370	34.0
479.29617	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	478.2937
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
54.82889	0.4
61.98821	1.1
64.96425	0.4
71.53685	0.8
78.95905	100.0
96.95974	0.7
96.96960	9.2
122.00045	0.4
140.01196	0.5
148.92694	0.5
152.99577	17.6
171.00636	20.0
262.23035	0.5
298.01721	0.4
404.25827	1.3
432.13052	0.5
478.29385	59.2
479.29712	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	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
59.33072	0.7
60.53722	0.7
61.98826	1.5
65.00337	0.7
68.04594	0.6
69.47574	5.4
71.01386	3.3
72.99318	3.6
73.02953	1.3
75.00832	1.6
83.01419	1.1
85.02971	1.8
89.02442	2.2
93.03431	1.6
95.01390	1.4
101.02436	0.9
107.01399	2.5
108.02168	1.5
109.02959	2.3
111.00871	1.0
112.47075	0.7
113.02431	1.2
121.02988	1.2
123.00896	2.4
124.01663	3.4
125.02441	8.8
135.00778	0.8
135.03001	2.3
135.04520	5.7
137.02444	5.6
139.00351	1.5
145.03040	0.9
149.02397	1.9
149.06125	1.0
150.03223	2.0
151.00365	8.1
152.01117	2.6
153.01888	1.2
155.10796	0.7
161.02470	2.2
163.00346	2.2
164.01157	1.5
164.74239	0.8
165.05544	4.9
169.01405	11.8
177.01953	2.5
178.99854	6.5
180.00215	0.7
183.10413	0.8
185.94307	0.6
188.19666	0.7
191.05527	1.0
192.00549	0.9
199.04001	0.9
199.13365	0.8
203.03500	1.7
204.04211	0.7
214.02693	6.5
215.03421	1.1
227.03497	1.3
233.33282	0.7
242.02174	5.6
243.02884	2.1
243.12315	1.3
259.02490	7.5
260.02930	1.2
270.01666	6.7
271.02444	37.9
272.02829	2.4
281.06766	1.2
287.01950	22.2
288.02499	3.0
299.01999	1.4
313.05692	2.8
315.01682	0.7
316.02222	100.0
317.02887	21.7
317.19580	0.9
318.03296	0.9
361.14648	0.9
361.22205	0.8
461.11157	1.4
479.07520	64.8
479.24805	4.8
480.07794	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3222
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
54.75994	1.2
57.03445	2.6
59.01376	13.4
60.01705	1.1
61.98831	1.5
69.03429	1.3
71.01372	3.4
71.05017	5.3
71.52988	1.5
73.02934	1.9
78.95905	5.2
81.03453	1.7
83.05022	1.9
85.02930	1.1
85.06585	1.6
87.04513	1.8
89.02465	1.0
95.05012	1.8
97.06577	2.0
99.08147	1.1
101.02441	2.0
107.05003	1.0
109.06590	2.1
110.98528	3.8
111.08149	5.2
113.02430	1.4
114.01467	1.0
117.03484	1.3
119.05053	1.3
121.06638	1.4
122.03770	5.1
123.04534	9.1
123.08121	1.1
125.06070	1.5
127.11308	2.7
133.02925	1.8
135.04491	7.7
136.05264	3.9
137.06091	1.8
137.09680	3.5
145.02922	4.1
147.08156	1.2
148.05284	1.6
151.00340	1.6
157.12341	5.3
161.02429	4.1
161.04462	1.3
163.00212	1.8
163.03937	1.8
167.01115	2.8
169.01395	1.8
169.08699	2.7
169.12306	1.7
185.02194	1.5
197.11833	17.8
199.13409	1.3
211.13319	1.9
233.19252	1.2
246.12553	1.0
291.19690	6.0
301.03482	6.1
309.20682	12.1
332.08707	1.1
349.27615	1.1
360.34076	1.2
361.27588	1.2
365.29947	1.0
389.30731	1.4
391.32275	7.0
404.55600	1.1
415.32648	2.1
431.31583	1.5
433.33218	100.0
434.33575	11.5
435.30951	1.7
459.30869	2.3
477.11536	1.2
477.22818	10.9
477.32565	54.4
478.22250	1.4
478.32773	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	478.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.03423	0.4
61.98830	100.0
67.81982	0.4
69.54514	2.5
71.01385	0.6
72.99330	0.4
74.02460	0.6
75.00878	0.6
89.02477	1.1
107.01395	0.5
109.02925	0.7
118.17184	0.4
119.05035	1.5
120.05355	0.6
121.02927	0.6
125.02449	2.9
134.03752	0.5
135.03001	0.7
137.02464	0.9
145.02934	0.6
149.06113	0.5
150.06409	0.5
151.00348	0.7
153.01949	1.3
161.02567	0.6
163.04068	0.7
165.05505	0.6
169.01411	3.9
170.01814	1.3
179.03593	0.4
191.03583	0.6
191.05655	0.5
203.03354	0.5
206.21091	0.5
243.12442	0.5
271.02652	0.5
299.01898	0.6
434.11966	0.8
440.82089	0.5
443.15656	1.0
478.10321	0.9
478.16550	0.7
479.12128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45576	0.8
53.77861	0.7
55.01857	1.7
57.03444	1.4
59.01379	100.0
60.01704	1.0
61.98823	1.3
64.34265	0.8
67.89324	0.9
69.20094	8.1
71.01381	26.3
72.99305	1.4
73.02943	7.2
75.00842	0.9
77.81506	0.8
83.01385	3.3
85.02953	12.0
87.00859	2.7
88.38042	0.9
89.02441	17.3
93.03460	4.6
94.03783	1.9
95.01389	3.0
95.03892	0.9
98.20684	1.7
99.00874	2.7
101.01799	1.8
101.02437	22.8
110.77434	0.8
113.02450	12.6
119.03509	8.7
125.02473	2.0
137.02472	6.0
138.02740	2.3
139.02943	0.9
143.03488	3.6
152.47032	0.8
159.02972	1.3
161.04552	21.1
169.01396	1.5
179.05579	7.0
183.13860	2.0
186.79552	0.8
214.07990	0.8
219.93588	0.9
255.19606	1.5
286.87579	1.0
357.09637	1.2
417.24927	35.8
418.25220	3.1
477.13821	1.2
477.19791	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	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
57.03441	2.1
58.00581	1.7
59.01378	100.0
61.98822	1.2
69.40752	3.4
69.41170	4.9
70.93469	1.1
71.01381	57.5
72.99288	2.1
73.02567	1.4
73.02946	12.5
80.69424	1.1
83.01378	5.4
84.15456	1.0
85.02952	19.3
87.00871	2.5
87.04507	1.2
89.02444	41.6
95.01376	3.2
96.53493	1.1
99.00863	4.6
101.02444	45.2
113.02443	26.8
113.03664	1.3
119.03497	19.0
125.02427	2.6
131.03485	4.7
143.03532	5.8
149.04536	1.4
159.02965	3.5
161.04547	28.6
165.12810	1.5
179.05605	23.4
183.13853	2.3
217.03374	1.0
221.06636	7.1
255.19630	1.3
315.08533	1.1
417.24933	39.8
418.25119	2.3
448.64716	1.2
477.24115	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	477.314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76948	51.0
59.01362	58.4
68.20744	47.4
79.43010	55.4
80.51586	54.1
96.96038	90.1
207.01169	63.0
236.81546	57.2
301.03479	100.0
326.01633	65.8
356.72934	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3219
Annotation	Dolicholide
Peak:m/z	Relative Intensity
52.25657	0.3
59.01371	2.0
59.71785	0.3
61.98829	0.4
71.01074	0.5
71.01401	0.6
71.05018	1.0
73.02946	0.5
83.05028	0.7
84.02155	0.4
85.02902	0.5
97.06606	0.3
101.02422	0.3
108.48430	0.3
109.06588	0.7
111.08195	0.3
125.02443	0.5
151.00362	0.8
169.01379	0.5
175.93802	0.3
178.99791	0.5
189.12802	0.5
205.15965	0.6
214.07817	0.4
244.69118	0.4
247.20706	0.3
291.19641	0.7
301.03479	1.5
305.21286	0.5
309.20642	1.1
363.26923	0.3
379.29956	1.8
381.28131	0.6
382.25168	0.4
383.29642	0.6
385.30759	0.4
395.29715	0.5
397.31027	1.6
413.30432	0.4
415.32315	0.7
417.26389	0.5
433.33316	0.8
441.30167	1.4
442.30688	0.4
459.31128	3.4
460.31393	0.5
477.32205	100.0
478.32581	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	477.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35665	1.4
55.01863	2.6
57.03439	6.4
57.44236	1.5
58.00575	2.0
59.01379	74.1
61.98824	19.4
66.40583	1.5
69.03446	3.6
69.61329	5.9
69.61736	2.5
71.01379	39.8
72.99297	2.0
73.02948	11.4
75.00897	1.3
78.91629	1.4
83.01383	5.7
83.05013	1.9
85.02941	15.0
87.00866	3.9
87.04539	2.8
89.02448	26.0
93.03476	2.6
95.01385	3.2
99.00861	3.5
101.02445	29.8
105.05576	6.7
111.08151	10.8
113.02444	21.1
113.55554	1.3
117.03474	2.5
119.03487	12.4
119.05045	1.4
125.02433	4.6
131.03461	2.5
133.02948	2.5
136.97527	1.7
137.02440	5.2
143.03516	3.1
145.02940	7.3
151.00369	3.4
152.03435	1.7
159.02951	3.5
161.02487	8.2
161.04561	16.1
165.12843	74.7
166.13211	4.5
169.01367	2.3
179.05559	7.0
181.12277	1.8
183.13898	58.0
184.14261	3.7
191.10756	1.5
209.11794	6.9
227.12892	16.2
255.19675	4.8
267.10846	25.3
285.80844	1.5
301.03622	4.4
359.17447	1.5
417.24945	21.1
418.25223	3.1
433.11380	3.4
477.23450	100.0
478.24030	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
57.03437	6.3
59.01377	74.3
61.98586	1.8
61.98830	19.4
69.29533	15.4
71.01382	37.2
73.02953	11.1
83.01402	4.8
83.05003	2.4
83.67992	1.9
85.02940	12.7
87.00862	2.7
87.04530	3.2
89.02441	27.9
93.03452	4.2
95.01378	3.7
99.00910	5.7
101.02435	35.2
102.90988	1.8
105.05583	6.0
111.08170	8.9
113.02453	19.7
117.03452	3.4
119.03513	10.7
120.75140	2.1
125.02515	2.2
131.03493	3.4
133.02962	2.5
135.46242	1.8
137.02432	5.1
143.03516	2.7
145.02991	7.7
147.05150	2.0
147.18915	1.8
151.00433	2.1
159.02945	3.0
161.02470	9.4
161.04567	17.7
165.12843	81.1
166.13123	4.1
179.05659	6.7
183.13889	62.1
184.14212	2.3
191.10780	3.4
209.11940	9.4
227.12915	15.9
255.19643	4.3
267.10846	24.2
301.03549	5.9
403.52051	2.1
414.19702	2.4
417.24902	24.2
423.02582	2.1
433.11493	4.2
477.23517	100.0
478.23935	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	477.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	7.9
59.01379	100.0
61.98843	8.1
64.47000	4.6
69.27944	34.5
69.28362	9.6
70.44080	4.4
71.01377	57.5
71.05020	8.4
73.02931	8.5
83.01350	5.1
85.02950	20.8
87.00887	7.8
89.02438	42.0
100.02677	4.7
101.02438	42.3
109.06573	6.3
113.02412	28.1
119.03481	17.6
125.02473	5.3
143.03465	9.7
151.00381	4.9
161.02428	8.6
161.04556	34.3
169.18877	5.4
179.05537	7.0
215.77713	4.5
255.19501	6.9
291.19656	6.4
301.03458	15.2
309.20593	8.9
317.21149	6.2
325.21500	4.8
346.88989	5.7
417.24899	81.4
418.25314	9.7
433.29495	5.8
435.31171	6.6
477.10583	5.8
477.21396	10.8
477.28314	25.7
477.32101	53.5
478.28601	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	477.2131
Annotation	Divaricin B
Peak:m/z	Relative Intensity
58.23676	0.3
59.01389	3.0
61.98838	0.4
65.65041	0.3
71.01384	2.7
73.02943	0.5
74.88763	0.3
83.01411	0.3
85.02950	1.1
88.76644	0.3
89.02458	0.7
89.03956	0.4
92.26917	0.3
98.82246	0.3
101.02445	1.4
111.00896	0.3
113.02470	0.8
117.03465	30.2
118.03815	0.5
119.05033	5.5
144.64546	0.4
145.02956	100.0
146.03302	3.0
154.89616	0.4
161.06068	0.6
163.04010	7.3
165.12846	0.8
183.14018	0.4
188.03835	0.3
205.04985	0.8
206.78937	0.3
265.07153	0.5
297.36011	0.3
301.03336	0.5
357.32230	0.4
444.39761	0.3
477.21277	55.5
478.21582	5.1
504.58780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.213
Annotation	Divaricin B
Peak:m/z	Relative Intensity
59.01381	3.1
70.44594	0.2
71.01381	2.0
73.02974	0.4
83.01374	0.3
85.02953	0.8
87.30933	0.3
89.02457	0.9
89.03939	0.3
92.18600	0.3
95.15038	0.2
98.19907	0.5
101.02455	1.3
104.32388	0.3
112.08891	0.2
113.02448	0.8
117.03462	29.1
118.03799	1.1
119.05022	6.4
119.87291	0.3
120.05355	0.3
121.93934	0.2
125.63354	0.3
133.06566	0.3
145.02950	100.0
146.03287	3.8
161.04472	0.3
163.03999	7.4
165.12891	1.3
169.01459	0.3
183.13867	0.7
198.95921	0.2
205.05069	0.8
265.07156	0.7
267.10883	0.6
301.03503	0.3
477.21240	53.8
478.21558	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	477.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35665	1.4
55.01863	2.6
57.03439	6.4
57.44236	1.5
58.00575	2.0
59.01379	74.1
61.98824	19.4
66.40583	1.5
69.03446	3.6
69.61329	5.9
69.61736	2.5
71.01379	39.8
72.99297	2.0
73.02948	11.4
75.00897	1.3
78.91629	1.4
83.01383	5.7
83.05013	1.9
85.02941	15.0
87.00866	3.9
87.04539	2.8
89.02448	26.0
93.03476	2.6
95.01385	3.2
99.00861	3.5
101.02445	29.8
105.05576	6.7
111.08151	10.8
113.02444	21.1
113.55554	1.3
117.03474	2.5
119.03487	12.4
119.05045	1.4
125.02433	4.6
131.03461	2.5
133.02948	2.5
136.97527	1.7
137.02440	5.2
143.03516	3.1
145.02940	7.3
151.00369	3.4
152.03435	1.7
159.02951	3.5
161.02487	8.2
161.04561	16.1
165.12843	74.7
166.13211	4.5
169.01367	2.3
179.05559	7.0
181.12277	1.8
183.13898	58.0
184.14261	3.7
191.10756	1.5
209.11794	6.9
227.12892	16.2
255.19675	4.8
267.10846	25.3
285.80844	1.5
301.03622	4.4
359.17447	1.5
417.24945	21.1
418.25223	3.1
433.11380	3.4
477.23450	100.0
478.24030	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89027	0.8
55.01863	0.9
57.03430	2.2
59.01378	22.0
59.44405	0.7
61.98836	4.7
64.74828	0.7
67.78218	0.7
68.89281	0.9
71.01375	12.0
71.04980	0.9
71.52991	1.3
73.02946	7.9
75.00878	6.0
83.01379	1.3
85.02944	4.6
87.00869	0.9
89.02447	8.1
93.03458	4.5
95.01360	1.0
99.00893	1.2
101.02432	8.2
105.05562	1.4
111.08178	4.8
113.02472	4.7
117.01938	1.1
117.03464	6.4
119.03506	3.7
119.04990	1.9
125.02454	0.8
131.03464	1.7
135.02995	23.1
137.02477	5.1
138.02744	1.3
143.03502	0.9
145.02951	23.7
146.03287	1.4
149.04546	10.7
151.00294	1.2
161.02386	2.4
161.04533	4.3
163.03979	2.2
165.12840	44.1
166.13135	2.1
169.01404	1.3
179.05566	2.5
183.13893	100.0
184.14243	4.9
209.11772	4.7
227.12885	57.5
227.16200	1.1
228.13139	2.9
255.19472	1.5
267.10913	4.3
301.03430	1.4
341.15991	2.4
345.15503	23.0
346.15839	1.2
359.17163	8.9
375.20135	1.2
413.55878	0.9
417.24902	7.6
433.11368	1.5
477.19952	26.6
477.32626	3.4
478.20581	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	477.2128
Annotation	Divaricin B
Peak:m/z	Relative Intensity
59.01378	3.3
60.57161	0.3
61.98831	0.9
69.20728	3.7
71.01374	1.6
77.36520	0.3
77.42197	0.3
84.64519	0.4
89.02463	1.2
97.69363	0.4
98.20610	0.7
101.02463	1.6
113.02456	0.8
117.03466	29.1
118.03799	0.8
119.05020	7.5
119.05826	0.6
121.02910	0.4
137.02464	0.8
145.02951	100.0
146.03267	3.7
150.08092	0.4
153.79816	0.4
161.06129	0.4
163.04008	8.5
165.01945	1.0
169.01495	0.4
202.99841	0.4
205.05066	0.7
208.00183	1.2
209.00862	2.0
233.82077	0.4
246.98880	0.5
261.98743	0.4
265.07260	0.6
292.05026	0.5
477.21265	53.6
478.21558	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51113	0.6
55.01868	1.0
56.70699	0.5
57.03437	1.6
59.01381	16.1
61.98822	3.9
71.01379	9.2
71.05034	0.5
71.33306	0.6
71.53614	0.9
72.99299	0.9
73.02934	4.7
74.39368	0.5
75.00871	6.2
76.77249	0.6
83.01386	0.9
83.05019	0.6
85.02970	3.1
87.00848	0.6
89.02438	5.4
93.03460	1.1
95.01407	0.9
99.00851	0.8
101.02439	6.5
104.18382	0.5
105.05537	0.9
111.08125	3.3
113.02446	3.4
117.01931	1.1
117.03456	6.6
119.03505	2.3
119.05031	1.8
123.04520	0.7
125.02431	0.6
129.60721	0.6
131.03523	1.8
133.02870	0.6
135.02997	22.2
137.02437	1.4
138.02802	0.7
143.03485	0.6
145.02951	23.8
145.04117	1.1
146.03284	1.2
149.04558	11.8
159.02934	0.8
161.02406	2.5
161.04559	2.1
163.03984	2.4
165.12839	35.0
166.13153	2.4
169.01472	0.9
179.05620	1.2
183.13893	100.0
184.14250	4.8
197.40443	0.6
209.11775	3.6
214.02457	0.6
219.92145	0.6
220.59323	0.5
227.12871	57.7
228.13197	2.9
261.20972	0.6
267.10797	2.4
301.03409	1.6
331.58588	0.7
341.15988	3.4
345.15503	20.4
346.15900	1.4
359.17114	9.2
360.17560	0.6
417.24976	3.5
433.11295	0.8
477.09171	1.7
477.20447	30.3
477.32895	1.9
478.20789	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	477.1403
Annotation	Lindleyin
Peak:m/z	Relative Intensity
52.57024	0.3
55.01867	0.8
57.03446	0.6
58.00615	0.3
59.01377	12.6
60.01721	0.5
60.58687	0.3
61.98830	3.9
65.00328	0.5
67.01875	1.0
69.03449	0.6
69.21424	0.9
69.21832	2.4
70.98801	0.4
71.01385	9.7
72.99297	0.6
73.02948	2.2
75.00878	0.5
79.01893	1.4
81.03455	0.5
83.01385	1.6
85.02949	4.4
87.00859	0.8
89.02444	2.0
94.72236	0.3
95.01396	2.2
96.51248	0.3
97.02949	1.1
99.00878	0.8
99.61823	0.3
101.02435	6.5
101.55630	0.3
107.01391	10.3
107.05015	0.3
109.02927	0.5
111.00886	2.8
113.02455	4.0
117.03458	0.3
119.03516	0.6
119.05010	0.6
121.02897	0.4
123.00889	11.0
124.01725	1.8
125.02446	45.2
126.02811	0.6
127.00349	0.8
129.49611	0.4
135.02974	0.8
136.98811	1.8
137.02423	0.6
139.00371	5.4
139.04008	0.9
140.01172	4.0
141.01917	1.4
143.03490	0.7
145.02943	1.2
147.04485	0.4
148.05298	21.8
149.05951	1.5
151.00374	8.7
153.01939	1.0
159.03041	0.5
161.02467	0.8
161.04559	4.4
163.03979	0.6
163.07646	6.5
165.01746	0.4
165.12804	0.4
167.03508	0.6
168.00636	3.9
169.01421	52.8
170.01736	1.4
179.03525	0.4
179.05580	0.4
183.02983	1.5
183.13924	1.3
211.02467	1.0
223.02573	0.4
227.12787	0.8
241.03473	1.0
253.03561	0.6
265.17801	0.4
282.91226	0.3
297.06104	1.2
301.03485	0.8
313.05634	16.6
314.06192	0.7
315.18228	2.5
323.07761	0.4
327.07159	1.6
417.24939	6.3
418.25110	0.6
445.16479	0.4
477.14008	100.0
478.14307	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21268	0.7
55.62928	0.7
59.01368	3.4
71.01369	1.2
72.99300	3.2
73.76978	0.7
75.00869	30.9
77.44828	0.8
78.24158	0.7
86.09978	0.8
88.63047	0.8
88.74181	0.7
89.02001	0.6
89.02449	4.6
90.56825	0.7
94.42487	0.7
96.32370	0.8
113.08893	0.7
117.01926	2.8
135.02992	100.0
136.03336	1.2
138.73331	0.8
156.81660	0.7
168.73308	0.8
216.04260	0.7
238.00589	0.7
250.14844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.1
61.98823	6.4
63.58348	1.4
65.00320	5.4
69.45294	11.2
71.01364	2.6
81.03450	3.0
83.01403	3.4
85.02944	2.4
93.03467	4.2
93.21091	1.7
95.01395	2.7
101.02435	4.3
108.02190	2.7
109.02938	12.5
117.03468	20.7
119.05013	11.3
121.02924	1.9
122.10739	1.6
123.00898	1.8
125.02460	2.6
135.03009	2.7
136.01636	1.8
137.02446	55.5
139.00378	1.6
145.02948	76.4
146.03279	3.2
147.00862	5.8
151.00279	2.8
153.01945	2.0
155.03482	2.4
163.00351	11.7
163.04041	10.5
164.01166	8.5
165.01921	70.1
166.02222	3.0
169.01399	2.9
175.00372	3.2
178.99876	10.4
180.00554	3.0
202.02859	1.7
202.99892	11.6
205.04959	1.9
206.99290	4.8
208.00110	64.2
209.00902	100.0
210.01208	4.6
246.98827	48.9
247.01364	2.7
279.01340	1.6
301.03458	3.0
359.28204	3.0
373.09262	2.3
401.08679	6.8
433.11255	10.1
477.21210	41.9
477.27887	4.1
478.21536	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98846	0.8
61.99362	0.7
62.21207	0.9
64.91904	0.9
69.03459	2.1
69.99631	4.1
79.16074	0.8
81.03447	1.2
82.08790	0.8
83.01394	1.6
91.31248	0.7
97.02941	2.3
107.01400	1.6
117.03459	4.1
119.05034	6.9
123.00882	8.9
124.01658	19.3
125.02444	41.9
126.02757	2.2
133.36992	0.9
137.02432	3.4
143.39323	0.8
145.02950	21.3
146.03290	1.0
149.98358	1.9
149.99580	35.9
151.00244	2.6
163.04008	3.2
167.03415	1.0
168.00633	65.9
169.01419	8.6
258.76086	0.9
301.03085	1.0
307.08276	1.1
313.05765	4.1
331.06662	24.1
332.06973	1.4
459.09305	1.1
477.10339	100.0
478.10770	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	8.2
59.29195	1.5
61.98812	4.1
71.01371	4.1
71.53701	2.4
73.45521	1.5
76.57934	1.7
81.03423	1.9
84.05458	1.5
85.02986	2.6
91.01876	3.1
93.03474	2.8
109.02963	11.5
117.03474	25.0
119.01384	1.9
119.05019	9.6
123.00880	1.9
125.02327	2.0
135.02942	2.4
137.02443	44.4
139.00368	1.9
145.02951	100.0
146.03340	2.5
147.00871	3.8
148.63557	1.7
155.03493	2.3
161.06030	1.9
163.00415	7.8
163.04030	8.1
164.01114	5.9
165.01933	47.5
166.02193	2.2
175.00363	2.6
178.99907	8.8
180.00543	2.5
202.99879	9.3
206.99316	5.1
207.98233	3.4
208.00131	56.1
209.00909	92.9
210.01276	2.2
235.26913	1.6
246.98831	36.4
301.03616	3.0
357.72778	1.8
401.08731	3.3
433.11478	8.2
477.21384	46.1
477.28616	6.2
478.21429	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0673
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
52.75267	0.8
54.31585	0.8
59.01379	1.2
63.02394	1.7
65.00325	3.2
66.41574	0.9
69.99300	4.0
71.01385	1.6
83.01391	2.0
85.02944	1.0
87.26146	0.9
90.66877	0.9
95.01366	1.2
98.20647	1.4
107.01383	5.6
108.02172	2.0
109.02978	6.1
113.02487	1.7
121.02944	5.7
125.02462	3.3
133.02928	0.9
151.00378	22.6
152.01112	2.2
153.01950	3.3
161.02428	3.1
163.00352	3.4
169.01434	5.0
175.02452	1.5
178.99849	9.7
211.04088	2.0
227.03571	1.7
229.05089	0.9
245.04492	2.4
255.02966	3.7
270.57520	1.0
273.03885	2.3
283.02551	2.5
301.03531	100.0
302.03922	5.8
315.07178	2.0
318.30917	1.0
331.06866	1.9
382.40414	1.0
457.21545	1.1
477.06598	7.2
477.10840	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	477.1036
Annotation	8-C-Rhamnosyleuropetin
Peak:m/z	Relative Intensity
50.06693	0.8
59.01373	3.1
61.98817	1.3
68.50453	0.7
70.96819	1.2
70.97168	1.7
71.01382	3.6
73.02961	1.2
79.01878	0.8
85.02966	0.8
95.01392	1.0
97.02953	0.9
101.02434	2.5
107.01383	8.2
108.02229	0.8
108.81834	0.7
109.02941	0.9
111.00852	1.3
113.02453	1.7
119.05025	65.2
120.05376	1.1
123.00871	9.0
124.01697	1.0
125.02449	43.5
135.04518	0.8
139.00356	2.9
140.01149	1.1
141.01961	1.4
151.00377	8.0
153.01964	1.2
158.58055	0.7
159.71127	0.7
161.02390	1.3
163.04008	29.3
164.04347	1.5
168.00658	2.7
169.01421	65.0
170.01720	1.9
179.03362	0.7
181.01334	0.8
191.03500	0.8
211.02429	1.3
300.10019	2.9
300.99808	1.0
313.05649	41.3
314.06076	2.2
315.12421	4.4
316.12637	1.0
325.17575	0.8
366.82916	0.9
387.11795	1.3
425.42755	0.8
433.11249	1.5
477.10355	100.0
478.10617	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	477.1035
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
56.58656	1.6
57.18343	1.7
64.71716	1.6
74.09531	1.7
74.93436	1.6
98.19809	3.2
108.01478	3.2
108.02177	36.8
109.02232	3.1
109.02951	52.8
125.02467	2.4
126.94282	1.8
133.02971	14.8
135.04538	8.2
151.00342	2.9
151.99985	3.1
152.01152	48.0
153.01939	55.4
161.02449	43.5
169.01419	3.8
179.03502	4.6
179.68298	1.7
251.58293	1.8
301.03534	4.9
315.07220	65.0
315.93494	2.1
316.07507	2.6
433.11401	3.5
477.10358	100.0
478.10760	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19986	0.6
54.81319	0.6
59.01380	2.5
60.02189	0.6
69.03442	0.9
69.49788	2.8
69.50205	1.9
71.01373	2.9
72.99310	0.7
75.60802	0.6
79.01897	1.8
81.03473	0.7
83.01351	0.7
85.02934	1.5
89.60905	0.6
93.03462	1.6
95.01388	2.2
97.02954	0.7
98.19774	0.6
101.02457	1.6
104.97773	0.7
107.01395	5.7
109.02933	2.0
111.00876	1.1
113.02429	2.5
117.03470	4.0
119.05024	25.1
120.05392	1.0
121.02929	1.9
123.00886	17.0
123.04529	1.3
124.01611	0.7
125.02448	34.6
126.02707	0.9
132.05827	1.6
133.02943	1.2
133.06606	6.9
135.04520	2.1
137.02440	0.9
139.00356	5.1
140.01129	1.4
141.01921	1.8
145.02943	24.8
146.03278	1.0
147.04553	0.8
148.69034	0.6
149.54874	0.7
151.00366	9.0
153.01910	3.4
154.91260	0.6
159.04448	1.0
161.02472	3.5
161.06067	18.2
162.03157	1.2
162.06351	0.8
163.02603	0.7
163.04004	28.8
168.00620	2.9
169.01413	52.0
170.01746	2.0
177.05533	7.0
179.03458	2.4
181.01376	0.9
183.02902	1.6
187.04048	1.1
204.31615	0.7
205.05037	19.0
206.05356	0.8
211.02469	5.9
221.04469	1.0
235.06110	8.8
253.03522	1.0
265.07166	17.3
266.07373	0.8
281.06522	1.0
301.03378	0.8
307.08224	1.1
313.05609	2.9
315.05130	2.5
323.07968	0.9
325.09268	2.5
331.06696	2.2
341.08798	1.2
346.00174	0.7
417.08173	4.5
477.10336	100.0
478.10690	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32456	0.2
52.78144	0.2
54.38779	0.2
59.01353	0.4
68.08201	0.2
69.37619	1.4
78.95902	7.9
96.96915	0.3
122.00105	0.2
124.41017	0.2
140.01189	2.1
152.99582	1.3
171.00607	0.6
196.03795	1.0
214.04865	3.1
223.73022	0.2
260.14243	0.2
261.22324	0.2
279.23264	100.0
280.23611	7.5
280.26721	0.4
355.93484	0.2
476.27832	9.6
476.34366	0.9
477.27756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76096	0.3
53.55935	0.2
59.01373	0.6
78.13501	0.3
78.95903	22.2
98.11095	0.2
103.58838	0.3
122.00116	0.8
128.75558	0.2
134.98526	0.3
140.01193	5.1
152.99594	2.1
169.18774	0.3
171.00636	0.9
189.79941	0.3
196.03789	10.2
214.04851	2.4
261.22137	0.3
279.23270	100.0
280.23621	6.4
280.26703	0.4
348.06787	0.3
476.27805	28.3
477.27863	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35891	0.7
54.69304	0.7
56.20663	0.7
58.00595	0.8
59.01377	7.2
60.99303	1.3
61.98806	0.8
71.01375	4.5
71.05017	3.5
73.02959	1.1
83.05007	0.7
95.05019	1.0
97.06597	2.1
98.19818	1.0
99.04484	0.8
107.01428	0.6
111.08155	3.5
123.08138	1.7
125.02443	1.3
135.08159	1.2
139.00275	0.9
139.11305	1.9
153.12871	3.6
165.09198	2.1
169.01437	0.9
173.15787	0.8
183.08661	1.1
183.10248	15.7
189.12889	0.8
205.15959	1.2
267.15906	2.5
275.20129	10.4
291.23343	6.1
329.24725	1.1
373.27423	1.0
387.29053	5.7
395.33313	1.6
403.32132	5.5
411.32590	2.4
413.34802	4.0
427.32275	0.9
429.33649	1.4
431.30966	1.2
431.35818	1.4
439.32126	1.5
445.33121	1.6
457.33368	16.5
458.33554	1.9
475.34567	100.0
476.34897	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3428
Annotation	28-Homodolichosterone
Peak:m/z	Relative Intensity
57.03448	0.9
58.00588	0.7
59.01379	5.2
61.18799	0.4
61.98823	1.1
64.80753	0.3
71.01385	1.4
71.05018	4.8
71.53288	0.4
73.02949	1.5
76.09565	0.4
83.05047	1.3
85.02952	0.8
85.06610	1.4
95.05065	0.4
97.06593	2.8
99.04544	0.5
99.08177	0.8
101.02435	0.9
107.05078	0.6
109.06575	0.7
111.08147	0.5
113.02446	0.5
121.06583	1.9
123.08189	1.2
125.02473	0.4
133.06567	0.6
135.04509	0.4
135.08211	0.5
137.09712	0.7
147.08182	0.8
153.09251	0.4
155.10847	0.3
156.06535	0.4
161.02493	1.1
161.04590	0.5
163.11250	0.9
165.12846	2.9
183.13864	0.8
203.14503	0.6
205.16058	1.2
207.13890	2.5
209.15523	0.8
215.14587	0.4
219.17795	0.5
252.13742	1.4
256.14795	1.2
257.15167	0.5
269.19012	0.7
270.19507	0.4
271.16968	3.7
273.18594	1.7
275.20117	1.8
275.53333	0.4
285.18692	1.6
287.16818	0.8
287.20206	3.0
288.20547	0.4
289.18140	3.4
301.18256	0.8
303.19626	2.8
304.19998	0.4
305.21170	7.7
306.21371	0.8
311.23865	0.8
317.17667	0.9
319.19241	1.0
345.24466	0.6
355.26556	0.5
359.26917	0.6
361.25522	0.9
373.23938	1.2
373.28003	0.5
377.28696	0.6
379.26361	0.5
383.26089	1.5
385.27332	0.7
393.28094	0.6
395.29532	5.4
396.29712	0.5
403.29837	0.7
405.31686	1.5
406.23865	0.9
411.24841	0.4
413.30890	1.8
419.30212	0.4
421.31519	0.6
422.28314	0.5
423.29230	0.9
424.30045	0.4
425.34299	1.5
427.28561	1.3
431.27551	0.5
439.25766	0.5
439.32239	7.6
440.32681	0.9
441.33914	8.1
442.34235	0.8
443.35397	3.0
455.31760	0.8
457.33310	22.2
458.33701	2.8
471.31638	0.7
475.34421	100.0
476.34711	12.1
483.31470	1.5
485.32779	4.6
486.33511	0.5
487.34473	1.0
501.32468	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	475.3427
Annotation	Oogoniol
Peak:m/z	Relative Intensity
50.08132	0.7
51.39021	0.7
67.28579	0.8
70.28363	2.0
70.28722	1.3
71.05013	7.7
83.05057	1.5
85.06588	0.9
97.06608	4.6
98.19966	0.9
98.55070	0.7
109.06599	1.4
111.08154	0.9
121.06588	2.4
122.31534	0.8
123.08180	0.9
140.26309	0.7
147.08136	1.6
163.11313	1.1
164.63762	0.8
175.18347	0.8
203.14305	0.8
205.15919	1.5
207.13887	4.8
209.15405	2.1
211.46046	0.7
219.17422	1.0
220.14622	1.0
252.13683	2.7
256.14725	2.1
271.17047	5.3
273.18417	3.6
275.20172	1.9
285.18530	2.3
287.16821	1.3
287.20047	6.7
289.17978	4.1
301.21524	0.8
303.19666	2.9
305.21182	8.5
306.21576	1.1
311.23404	0.9
317.17584	1.2
319.19135	1.1
327.23438	1.2
329.17184	0.9
329.24625	1.6
335.20163	0.9
345.24429	1.4
359.27374	1.8
377.28720	1.3
383.25983	3.4
395.29660	7.8
405.31693	2.3
413.30435	2.4
421.31079	1.2
425.34271	3.1
427.28598	1.8
439.25745	1.1
439.32117	18.4
440.32449	2.6
441.33749	19.3
442.34265	1.8
443.35342	6.6
455.31586	1.1
457.33212	45.2
458.33716	5.7
471.31152	1.9
475.34302	100.0
476.34717	13.7
483.31363	2.2
485.32697	4.9
501.32471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.2
58.15421	0.2
59.01377	2.0
61.98804	0.3
70.48899	0.5
70.49230	0.3
71.01379	0.8
71.05021	2.1
73.02924	0.3
83.05053	0.3
85.02913	0.3
85.06586	0.6
89.02403	0.3
93.03463	2.4
101.02454	0.5
105.26833	0.2
109.06616	0.2
113.02425	0.5
119.03497	0.2
119.05031	0.6
119.08669	4.3
121.02966	0.4
126.98831	0.2
127.36014	0.2
133.02965	1.9
133.06630	0.3
134.03738	0.6
135.04546	1.6
137.02451	4.3
138.02791	0.2
145.02966	1.2
151.04001	1.2
155.08667	0.2
160.01605	0.3
161.02443	4.7
163.03996	0.2
163.07690	0.3
169.01378	0.3
173.09712	0.4
175.03943	0.4
179.03537	1.0
185.09811	0.2
193.05051	0.3
221.04530	0.4
223.17694	0.2
230.13046	0.3
238.04105	0.2
248.88890	0.2
257.15448	2.5
258.15765	0.3
259.17020	1.7
261.18643	0.5
271.17020	0.8
273.15079	0.2
273.18622	0.3
275.20193	0.4
277.21631	0.4
293.19272	0.4
299.89371	0.2
305.18958	0.3
307.20544	0.4
323.07715	2.5
347.23553	0.2
349.25327	0.3
357.18881	0.3
365.28281	0.3
375.23120	1.4
377.24841	1.3
391.21509	0.2
391.26450	5.2
392.26727	0.7
393.28000	8.1
394.28314	0.9
409.31512	4.4
410.31625	0.6
411.29025	4.1
412.29132	0.6
427.27356	0.3
427.32251	0.9
436.53732	0.2
439.28305	0.3
441.29697	0.5
443.31345	0.3
459.31201	2.6
460.31885	0.2
475.11969	1.3
475.34256	100.0
476.34604	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	475.3062
Annotation	Polyporusterone B
Peak:m/z	Relative Intensity
54.38918	1.1
57.03449	72.0
58.00607	1.5
59.01383	14.4
60.99298	4.1
61.98818	2.4
71.01379	3.3
71.05028	1.6
73.02943	1.8
83.05013	1.9
85.02941	1.8
89.02454	2.0
92.93426	1.1
98.20699	2.0
101.02429	3.0
101.06042	1.2
102.12528	1.0
109.06596	1.4
111.34282	0.9
113.02455	1.4
118.29268	1.1
119.04988	1.0
124.16747	1.2
125.02438	1.0
132.67484	1.0
145.02922	3.7
148.72394	1.2
152.28566	1.2
205.15968	4.6
209.11833	1.4
229.05615	1.2
269.10199	1.3
297.99677	1.2
300.99597	1.1
306.19901	1.6
321.22263	11.6
335.23856	2.5
337.25290	4.1
355.26389	31.4
356.26663	2.6
369.24176	2.3
381.27707	4.1
387.25385	7.4
395.25220	1.3
395.29642	15.7
396.29596	1.8
399.25388	7.8
403.24832	2.8
405.26443	17.3
406.26782	2.0
411.29156	4.3
413.30606	100.0
414.31000	8.9
415.23370	2.0
431.32031	2.2
457.29529	48.3
458.29913	5.1
475.19547	2.9
475.30551	91.7
476.30908	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	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78198	1.2
56.00220	1.3
57.03446	1.6
59.01377	100.0
61.98809	2.8
69.44005	10.2
71.01376	13.9
72.99299	2.1
73.02956	2.0
75.00865	1.8
79.68307	1.3
83.01419	2.1
85.02934	4.4
87.00881	2.0
89.02441	10.5
93.02354	1.4
95.01363	1.8
98.20711	2.8
101.02462	8.6
105.03439	2.4
107.01339	1.9
109.02909	2.2
112.67655	1.5
113.02447	4.9
117.03456	5.0
119.03539	3.8
119.05014	18.4
123.04546	7.7
125.02448	15.9
126.02798	2.8
133.02946	6.3
134.03775	1.6
135.02980	1.5
135.04504	11.4
145.02940	21.9
148.05302	1.6
149.02466	10.0
149.06094	2.3
150.03171	4.5
151.00406	2.6
153.01939	2.9
156.53490	1.4
161.02441	25.0
161.04530	3.4
162.02835	1.7
163.04005	8.6
165.05515	5.7
165.12845	2.5
167.03477	5.4
169.01398	21.1
170.01746	2.7
177.05577	6.6
179.03468	15.2
179.05595	2.4
180.03891	2.1
188.62886	1.6
195.06648	1.7
205.04597	1.4
209.93256	1.4
221.04477	5.2
227.03548	7.8
251.05699	7.2
255.02965	10.3
281.06696	12.9
284.03238	5.7
285.04028	3.3
297.06183	1.6
307.08090	2.5
311.07663	3.3
313.09277	3.6
323.07706	1.8
341.08508	3.0
407.71301	1.6
415.15738	1.8
415.23318	2.0
427.13821	2.0
475.07559	3.2
475.13263	17.1
475.21857	3.3
476.12927	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
58.00593	0.8
59.01377	100.0
60.01727	1.3
61.98830	1.0
71.01382	10.5
72.99305	0.6
73.02954	2.6
74.02501	0.5
83.01391	1.2
83.86305	0.6
85.02940	3.4
87.00884	1.1
89.02439	5.6
93.03476	2.3
95.01410	0.8
97.02984	0.6
98.20663	1.2
99.00858	1.0
101.02445	7.3
108.02202	0.9
109.02979	0.7
113.02432	4.7
117.03463	5.4
119.03521	2.4
119.05030	2.9
121.02959	1.0
125.02469	1.3
132.02174	0.9
133.02966	1.7
134.03755	2.5
134.06119	0.7
135.04504	0.6
137.02443	20.4
139.04025	1.0
143.03477	0.6
145.02948	20.3
149.06082	1.2
151.00406	1.5
159.03069	1.1
160.01662	3.0
161.02492	3.9
161.04538	5.7
163.03941	3.1
167.10733	3.2
169.01440	0.9
175.03955	3.5
177.01968	1.2
179.03442	0.8
179.05652	1.5
183.13895	0.7
193.05118	2.3
199.50716	0.6
229.42619	0.6
235.06073	1.2
255.02951	0.7
256.03418	0.6
257.03503	0.7
264.72025	0.7
271.06253	1.9
271.45844	0.6
284.03207	0.7
285.03790	1.1
286.04047	0.9
287.04675	1.2
323.07901	2.3
337.09390	1.8
345.19165	3.7
346.19601	0.8
383.77649	0.7
391.30103	0.9
403.04172	0.6
409.31189	1.5
415.23361	5.5
457.33334	2.0
475.14975	3.5
475.20181	3.7
475.34491	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	475.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56519	1.0
55.01872	1.9
57.03435	4.7
59.01379	25.2
61.98830	7.5
69.03418	2.5
69.28379	8.9
69.47827	0.9
71.01381	15.8
71.05026	9.7
73.02937	5.5
75.00863	1.5
83.01381	2.5
83.05016	3.2
85.02951	7.7
85.06593	1.6
87.00866	1.1
87.04506	1.1
89.02422	2.5
93.56226	1.0
95.01395	2.0
96.53839	1.0
96.60680	0.9
97.02972	1.3
97.06609	5.0
99.00870	1.4
99.04499	1.7
101.02456	9.5
101.06081	1.3
109.06607	1.8
111.08165	7.1
113.02445	5.0
121.06551	2.1
123.04539	1.4
123.08146	1.1
131.57799	1.2
133.02884	1.2
135.08136	1.6
137.02412	1.4
147.11740	1.1
149.09731	1.2
158.47961	1.0
161.02411	1.6
161.04539	5.2
165.12842	59.7
166.13124	2.4
181.12349	2.0
183.13884	33.0
184.14137	1.5
188.31270	1.2
189.12831	1.0
191.10718	1.8
205.15988	1.8
207.13863	3.0
209.11816	6.1
227.12807	5.0
252.13495	2.3
256.14676	1.2
265.12866	3.9
269.10339	1.5
271.17035	3.5
273.18533	3.2
275.20132	3.0
285.18552	1.8
287.20105	4.8
289.17975	3.7
303.19632	4.2
305.21204	8.4
311.23627	1.3
319.19333	1.3
341.21014	1.0
359.26212	1.2
373.23792	2.2
383.25626	2.4
395.29590	5.9
403.29565	1.8
405.31491	2.6
413.30444	4.0
415.15842	1.8
421.31372	1.9
423.28592	1.8
425.34113	2.8
427.28381	1.5
431.31619	3.8
432.32367	1.7
439.26401	1.6
439.32260	15.1
440.32550	1.7
441.34009	11.2
442.33493	1.7
443.26907	3.9
443.35242	4.3
455.31891	1.7
457.33569	34.5
458.33456	3.4
459.30139	3.8
471.30841	1.6
474.32739	1.1
475.25507	46.4
475.33902	100.0
476.25507	5.1
476.35306	9.3
483.31000	5.5
485.32825	5.8
487.33975	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
68.88387	0.8
69.35368	3.9
69.35792	3.0
69.97559	0.8
71.01374	4.3
73.02943	0.9
74.94433	0.8
82.51765	0.9
85.02940	1.4
89.02430	3.9
95.01363	1.5
101.02439	3.0
106.69943	1.2
109.02876	0.9
113.02462	2.1
117.03436	1.2
118.36590	0.9
119.03536	1.2
119.05026	8.3
123.00889	1.0
123.04513	0.9
125.02435	3.8
133.02934	1.8
135.04492	3.9
145.02950	4.8
149.02441	2.8
150.03151	2.8
151.04012	1.3
161.02403	8.0
161.04500	1.4
163.04016	5.4
165.05595	4.8
165.06760	0.8
167.03485	1.9
169.01398	4.1
177.05522	2.3
179.03458	3.2
195.06540	1.5
219.02930	1.3
221.04608	1.8
227.03506	2.5
251.05550	2.0
255.02936	3.4
270.84421	1.1
279.08627	1.4
281.06625	4.4
284.03333	1.5
311.07675	1.5
313.09497	1.2
341.08636	1.2
415.23227	1.8
427.13925	1.9
475.13440	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	475.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14586	4.6
53.51180	4.2
55.83235	4.0
56.17184	4.5
57.39006	4.1
59.01384	23.3
71.01385	16.2
101.02442	4.4
106.39990	4.4
165.12598	5.2
199.71492	4.8
277.21689	69.9
278.21979	7.1
279.23163	7.9
319.22720	5.7
349.23935	6.2
429.33316	5.6
457.33243	6.3
475.34134	100.0
476.34555	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	475.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11874	2.5
59.01373	10.6
59.61219	2.5
61.73078	2.7
69.21764	7.7
69.22178	17.4
70.84212	2.7
71.01389	2.5
90.85838	3.0
119.39056	2.7
285.54187	3.7
457.33221	4.4
474.35709	29.9
475.35956	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11329	0.4
57.03451	1.4
57.83355	0.5
59.01377	100.0
60.01736	0.9
61.98830	1.3
66.37225	0.5
69.84179	0.9
69.84588	1.7
71.01379	3.9
73.02947	1.9
75.58081	0.4
83.01419	0.6
85.02958	0.8
89.02444	2.4
93.03460	5.3
95.01392	0.6
99.04527	0.9
101.02449	2.3
113.02445	2.1
119.03511	1.5
119.05032	0.6
120.04755	0.4
125.02468	1.2
127.04042	0.5
129.44951	0.4
133.02950	8.7
134.03703	1.3
135.02972	1.0
135.04515	7.5
136.01656	16.3
137.02449	5.3
139.00339	0.5
143.03537	0.6
145.02983	1.3
149.06023	0.6
151.03996	11.3
160.01627	2.8
161.02432	18.6
161.04581	1.0
162.02753	1.0
163.04037	0.8
168.00664	0.5
169.01430	0.9
175.03976	2.7
177.01860	0.6
177.05592	1.1
179.03510	4.3
179.05614	0.5
193.05081	0.7
203.03548	0.8
219.14452	0.5
221.04597	1.8
227.07097	0.9
247.02489	0.9
253.05084	0.9
271.06232	1.1
323.07675	21.0
324.08121	1.3
337.09430	2.3
383.53577	0.5
475.12283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94636	0.9
59.01377	16.4
70.51666	0.8
70.87454	0.8
71.01383	9.3
71.28590	1.7
72.99279	0.9
85.02930	2.3
87.00872	1.7
88.98833	2.4
89.02441	11.0
101.02446	6.7
107.01392	4.9
111.00854	2.5
113.02439	4.0
115.26930	0.9
117.32832	1.0
119.03495	4.0
119.46603	0.8
123.00876	3.7
124.01684	2.9
125.02448	28.7
127.00336	1.1
135.03032	0.9
136.98828	2.0
139.00365	3.1
139.11740	0.9
140.01170	4.1
151.00356	2.5
166.94690	0.9
167.03546	1.6
168.00632	18.7
169.01427	48.4
170.01740	1.2
211.02477	75.8
212.02838	2.5
212.65288	0.9
271.04568	70.7
272.04910	3.6
275.01883	1.3
290.48834	0.9
301.00021	1.2
323.13440	26.1
324.13727	1.0
331.06628	2.1
335.85815	0.9
340.63644	0.9
475.14536	100.0
476.14886	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	475.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00176	0.4
55.01871	0.7
56.93529	0.4
59.01378	25.3
61.98821	2.0
65.00316	1.1
69.38380	2.1
69.38808	1.3
71.01376	7.5
72.99306	0.4
73.02934	3.1
74.17757	0.4
75.00848	0.8
77.05701	0.4
83.01385	1.8
85.02937	2.4
87.00897	0.6
88.98785	0.5
89.02443	5.8
92.51661	0.4
93.03454	2.0
94.82653	0.4
95.01368	1.0
99.00861	0.9
101.02438	6.2
105.03418	0.8
107.01374	2.3
107.05042	2.3
111.00885	0.7
111.08170	0.5
113.02462	3.4
117.03478	2.2
119.03535	3.0
119.05022	7.0
120.28236	0.4
121.02943	0.6
123.00909	0.9
125.02452	5.2
126.02756	0.7
131.03470	0.5
132.02161	2.2
133.02956	36.0
134.03656	1.4
135.02950	0.8
135.04523	9.8
136.01666	2.2
136.04868	0.9
137.02461	2.0
137.06044	0.8
143.03497	1.1
145.02942	2.6
149.06050	0.4
151.00374	6.8
151.01505	0.3
151.04005	2.9
151.07643	3.8
152.01083	0.8
161.02434	100.0
161.04608	2.5
162.02753	3.9
163.03993	1.5
165.01866	0.5
167.03516	0.7
169.01436	5.9
170.01782	0.8
175.03958	0.6
177.01930	1.3
177.05566	0.7
178.02699	0.6
179.03481	5.2
179.05594	1.4
183.10268	0.8
221.04607	0.5
224.48717	0.5
225.11327	1.6
271.06091	16.0
272.06482	1.3
323.07724	4.6
413.14407	1.2
415.23572	2.3
431.13406	2.3
474.56390	0.5
475.16083	63.5
475.21463	2.8
475.34634	2.4
476.16437	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	475.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34518	0.2
55.01875	0.2
59.01377	10.8
61.98824	0.5
65.03954	0.4
69.38620	0.9
69.39033	0.5
71.01378	1.3
71.05027	1.0
73.02935	0.4
75.00874	0.2
83.01377	0.4
85.02953	0.6
89.02445	0.7
93.03456	55.2
94.03783	1.5
94.47656	0.2
95.01332	0.2
97.02965	1.3
101.02451	0.9
104.93878	0.2
105.72057	0.2
113.02428	0.5
117.03471	0.5
119.03549	0.4
119.05018	0.3
121.02856	0.2
123.04534	0.2
125.02440	0.3
132.02206	1.2
133.02971	0.4
134.03749	2.9
135.04442	0.3
137.02441	100.0
138.02774	2.9
139.04010	9.3
140.04329	0.4
140.87720	0.2
143.50061	0.2
145.02943	1.4
149.02411	0.2
149.06067	0.3
150.26942	0.2
160.01660	5.2
161.02333	0.6
161.04552	0.7
161.05782	0.2
163.03938	0.4
167.03511	1.9
175.03993	5.0
176.04483	0.3
179.05652	0.2
181.05122	0.2
183.02985	0.3
185.95270	0.2
193.05048	1.5
299.07840	0.3
337.09302	2.8
338.09732	0.3
345.18930	0.4
391.29999	0.4
414.19751	0.2
415.23218	0.5
457.33282	0.5
475.11600	0.4
475.17227	0.4
475.34241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01382	3.2
61.98832	0.4
64.94338	0.3
65.03960	0.5
65.19931	0.3
69.32887	2.3
71.01384	1.3
73.02934	0.5
74.81837	0.2
75.00863	0.9
85.02942	0.3
93.03455	56.7
94.03790	1.2
101.02447	0.5
115.92065	0.8
116.92832	1.2
117.03431	0.4
119.03573	0.3
132.02200	1.3
133.02951	0.8
134.03741	2.9
137.02440	100.0
138.02771	3.0
145.02922	0.4
147.03009	0.3
160.01659	5.6
161.02438	0.6
161.04681	0.4
167.03511	1.0
171.10324	0.3
173.89058	0.3
175.03978	5.5
191.03459	0.3
193.05078	1.1
211.13382	0.8
221.11902	0.3
227.03464	0.3
229.14430	0.4
255.03055	0.6
267.10995	0.4
269.12860	0.4
295.11041	0.3
306.41376	0.4
312.02716	1.4
313.03665	0.8
313.12033	0.4
327.21786	1.1
337.09189	2.8
338.09317	0.3
475.08066	0.5
475.17868	0.5
475.25848	1.9
475.34152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10319	0.4
59.01382	6.8
67.66274	0.4
69.45695	1.0
69.46116	1.9
71.01384	4.1
73.02949	0.9
83.01404	0.4
85.02964	0.8
89.02444	4.5
95.01388	0.6
98.20614	0.9
101.02441	3.1
105.03455	0.7
107.05020	0.5
113.02428	1.2
117.03460	1.4
119.03531	1.0
123.00899	0.5
125.02423	1.2
132.02168	1.8
133.02959	30.4
134.03445	1.0
135.04530	15.0
149.06079	0.4
151.06133	2.1
159.69437	0.4
160.17078	0.4
161.02443	100.0
162.02773	4.7
163.04022	0.5
169.01367	0.8
169.24100	0.5
170.51064	0.5
177.05583	1.3
179.03477	11.5
180.03868	0.5
221.04500	1.2
251.05597	1.0
275.01889	1.4
281.06641	1.6
300.10620	0.4
300.99838	1.4
302.00250	0.4
341.08676	0.9
364.67178	0.4
391.02615	0.6
475.14542	81.9
476.14944	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	473.3272
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
59.01339	0.5
61.98833	0.6
71.05011	1.9
83.05009	0.5
91.54960	0.4
99.71367	0.4
140.09366	0.5
196.28789	0.5
229.37820	0.5
305.43628	0.4
369.31363	0.7
393.31079	0.5
411.32700	4.2
412.32614	0.5
413.30521	0.8
425.30392	0.5
425.56870	0.5
429.33884	5.8
430.34064	0.7
455.31540	4.1
473.32324	100.0
474.32663	12.7
477.97906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3635
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
50.94635	0.2
57.03456	0.3
57.56072	0.2
70.84663	0.3
71.05015	2.1
71.45930	0.2
76.47738	0.2
82.24056	0.2
121.06606	0.2
133.06601	0.3
149.60782	0.2
161.81619	0.2
170.72311	0.2
295.69846	0.2
325.34268	0.2
389.26901	0.4
409.34967	1.0
411.32809	0.9
413.34161	6.3
414.34714	0.5
427.31784	0.3
455.31662	0.6
473.36453	100.0
474.36758	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	473.3639
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
59.01379	0.6
60.99305	5.2
70.53833	0.5
70.54199	0.5
71.03452	0.2
78.95885	0.2
85.33096	0.2
125.02550	0.2
129.46826	0.3
137.09726	0.4
144.35649	0.3
182.95490	0.3
185.21385	0.2
236.27486	0.3
355.26440	0.6
357.28091	0.4
379.30411	0.4
409.34723	10.4
410.35236	1.6
418.25800	0.3
423.32382	0.3
427.35910	0.9
473.36368	100.0
474.36691	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11221	0.2
59.01366	0.9
61.70269	0.3
69.40627	2.2
71.01373	0.3
78.95904	10.0
88.80687	0.2
96.44637	0.2
122.00117	0.4
127.07647	0.3
133.06628	0.3
140.01192	1.9
152.99571	1.3
157.74020	0.3
159.65027	0.3
171.00661	0.6
171.58318	0.3
183.74147	0.2
196.03821	1.2
214.04843	3.3
219.63187	0.3
259.20709	0.5
275.20200	0.3
277.21707	100.0
278.22055	7.6
391.88263	0.3
474.26257	9.7
474.33060	2.8
475.26495	1.0
475.33743	0.8
482.99072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
65.27416	0.7
69.25572	4.2
69.25996	2.8
78.95905	39.4
94.18221	0.7
96.96946	1.1
97.59335	0.9
98.19854	1.6
101.60204	0.7
105.36888	0.8
122.00124	1.0
140.01187	6.2
152.99559	4.2
171.00644	2.2
196.03813	13.7
214.04839	2.2
248.31540	0.8
277.21704	100.0
278.22089	7.6
389.45694	0.7
391.68356	0.8
406.58194	0.8
423.21848	0.8
474.26263	40.4
475.26672	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	473.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43642	0.8
59.01365	1.9
69.25843	5.1
69.26266	2.7
71.01376	1.6
71.05016	15.3
83.05033	1.3
88.80709	1.0
171.20221	0.9
205.15906	1.5
207.67542	1.0
311.23752	1.3
327.23318	2.1
329.24866	3.1
345.24271	1.6
363.26932	2.3
371.26044	7.0
377.28662	1.0
379.29916	1.8
383.25882	12.9
384.26596	1.1
389.26971	22.9
390.27313	2.8
401.26849	12.4
402.27536	1.1
409.31137	13.5
410.31323	1.8
411.32773	3.2
423.29254	1.1
425.30817	1.2
427.32251	2.8
443.31595	1.8
453.30124	5.4
454.30435	1.3
455.31653	18.1
456.32059	2.1
473.32751	100.0
474.33060	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	473.3269
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
50.77960	0.5
58.00589	1.4
59.01378	1.5
71.01378	1.4
71.05019	4.1
73.02950	0.7
77.49633	0.4
82.58832	0.5
83.05022	0.5
97.06595	1.4
98.20648	2.0
99.04546	1.0
101.06076	0.8
109.02926	0.5
109.06604	0.8
115.07609	0.6
121.06621	1.0
123.08137	0.8
127.07644	2.1
128.16170	0.5
133.06503	0.6
135.08180	1.0
137.09737	3.7
149.09723	0.8
153.09233	1.0
163.11205	0.7
173.09698	3.8
187.11317	0.7
189.12828	3.8
202.66245	0.5
205.12366	0.8
207.13997	0.7
222.09572	0.5
229.15907	0.6
231.17548	0.5
256.14615	0.9
271.16928	2.5
285.18561	0.6
287.20178	2.6
289.18082	11.9
290.18384	1.0
291.19739	0.6
300.99948	0.6
303.19666	2.1
305.21213	24.7
306.21600	2.0
315.14874	0.5
345.24609	0.7
349.20596	0.7
371.26031	0.8
375.27185	0.5
383.25842	1.6
393.31824	1.1
399.28909	0.6
407.25781	10.4
407.30551	0.8
408.25900	1.1
409.27170	1.2
409.31717	0.7
411.32806	0.8
421.31241	1.8
422.28091	5.5
423.28738	1.6
429.34021	2.4
437.30566	19.3
437.36508	1.1
438.30972	2.1
439.32108	10.6
439.37628	0.9
440.32626	1.8
440.95053	0.6
441.34146	1.5
450.42792	0.6
453.30234	3.0
454.27109	1.1
455.31644	14.9
456.32025	1.7
465.29688	0.8
471.31180	15.0
472.31644	2.0
473.32779	100.0
474.33047	11.7
483.31195	2.0
485.32843	0.9
489.08292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3271
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
53.14840	1.7
69.46439	13.1
69.92574	1.9
71.05022	46.2
85.06556	2.3
97.06592	6.6
98.20629	4.2
107.05007	2.0
121.06580	9.4
123.08167	39.7
133.06595	7.1
135.08170	15.1
137.09744	3.0
147.54514	1.7
154.83943	1.8
164.24126	2.3
205.12296	2.4
205.15889	3.1
229.15970	5.9
265.17911	9.3
269.19101	2.6
271.17102	3.8
287.20181	6.2
289.18216	12.3
305.21109	13.0
319.24185	7.4
355.26511	2.9
367.26245	3.3
371.25897	8.9
383.25879	7.5
384.26007	3.0
389.27008	11.0
401.27048	6.1
423.32813	9.9
437.30414	10.5
439.32150	41.4
440.32431	4.8
441.33765	29.8
442.34485	4.7
452.54028	2.1
455.31720	51.8
456.32123	7.8
473.32758	100.0
474.33301	9.5
483.31348	14.1
485.32880	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	473.327
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
57.03442	5.3
58.00594	1.8
59.01373	10.4
61.94127	1.4
61.98824	2.8
62.25832	1.3
67.83133	1.3
69.03448	2.3
70.85744	3.3
70.86081	1.6
71.01405	1.7
71.05020	83.5
73.02941	2.7
75.00868	2.4
82.61156	1.5
83.04986	3.9
85.02948	3.2
85.06585	1.5
90.11135	1.4
94.90720	1.3
95.05020	3.0
95.48265	1.4
97.06605	12.6
99.04543	2.1
107.04991	3.2
109.06580	2.0
121.06612	18.9
123.08163	62.6
133.06584	9.4
135.02979	2.0
135.08167	24.9
137.09732	3.2
153.73465	1.4
157.39525	1.5
165.12805	1.5
189.12866	2.0
205.12373	7.8
205.15895	8.5
207.13913	1.9
215.14413	1.6
229.15958	12.8
247.16887	3.5
256.14597	1.8
265.18118	13.9
269.19055	1.5
271.17023	6.1
275.20053	2.1
287.20099	9.4
289.18127	14.2
293.21140	1.7
305.21155	16.2
306.21570	2.4
317.21341	2.3
319.18924	2.3
319.24341	15.9
320.24503	1.9
321.22208	4.1
325.21829	2.1
331.24307	1.8
335.24072	1.5
337.21732	1.6
337.25452	2.0
345.24136	2.9
351.26917	2.4
353.24942	4.2
355.26346	4.1
359.25473	1.7
365.24625	2.3
367.26462	7.8
371.26068	9.4
379.29913	2.3
383.25961	6.7
389.26862	9.6
391.26559	1.9
395.29489	1.6
397.30881	1.9
401.26904	8.4
403.29944	5.2
407.29510	3.8
409.27048	1.7
411.29150	2.5
413.34177	6.1
419.29480	1.9
421.26694	1.8
421.31439	2.3
422.28241	4.5
423.32791	23.4
424.32831	3.8
437.30780	16.7
438.30969	2.4
439.32190	83.5
440.32520	14.6
441.33734	58.6
442.33875	7.6
455.31665	84.9
456.32169	9.6
469.29871	1.8
473.32489	100.0
473.36975	41.5
474.32181	14.9
474.37738	3.4
483.31125	37.7
484.31387	3.4
485.32657	21.1
486.33014	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	5.2
59.01378	100.0
61.98817	4.1
69.33115	11.2
71.01375	5.5
71.05006	5.4
73.02930	2.5
83.05003	2.8
85.02929	2.7
89.02424	2.5
99.04499	1.6
101.02429	2.4
113.02452	3.0
117.66966	1.3
119.03531	1.4
119.08667	2.0
137.09731	14.0
147.08122	3.0
189.12834	1.3
207.13879	4.1
220.14632	2.5
251.16518	76.3
252.13640	4.8
252.16676	3.4
320.59329	1.4
333.22256	1.4
387.54150	1.5
389.28409	2.0
407.29532	15.6
425.30667	9.5
426.30640	1.9
429.30280	2.9
455.31882	14.9
473.33047	95.1
474.33463	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	473.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58308	1.1
54.54552	0.9
63.53569	0.9
70.64090	2.3
78.83497	1.0
121.06602	11.5
129.16359	1.0
133.06604	1.8
138.80400	1.0
149.09715	100.0
150.10104	3.7
163.11285	3.2
189.12848	1.1
204.76520	1.1
205.15999	7.3
297.18677	7.8
311.20163	26.7
312.20633	1.8
323.20129	21.6
323.23679	1.7
457.24969	2.1
473.30588	99.5
474.31076	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	473.327
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
50.44326	0.3
59.01386	2.7
61.98826	1.1
69.53568	1.6
69.53979	0.8
71.01390	0.7
71.05011	1.7
75.00887	0.4
89.02467	0.9
97.06649	0.5
98.19845	0.4
101.02480	0.4
109.06610	0.4
123.08198	0.4
135.03044	0.3
135.08208	0.4
135.51079	0.4
143.52454	0.4
161.98102	0.4
168.83130	0.3
181.82672	0.3
195.13855	0.7
201.50151	0.3
203.10872	0.3
293.21371	0.5
338.15103	0.5
343.19119	1.4
359.25894	0.5
371.26025	1.4
372.62292	0.4
373.23883	3.3
383.25879	0.7
385.23709	1.3
385.28195	0.5
391.23010	0.9
408.23166	1.1
423.25226	1.9
424.26102	0.5
429.29965	0.5
439.28137	0.8
440.71393	0.4
441.26434	17.2
442.26678	2.1
455.31787	2.4
457.29608	16.7
458.29672	2.0
473.32779	100.0
474.26270	10.3
474.33145	12.6
475.26678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
58.00600	1.4
59.01362	1.0
69.28517	1.2
69.28918	4.2
71.01373	1.0
71.05018	8.4
71.25899	0.5
71.36826	0.5
71.63069	0.6
83.05033	1.0
89.56319	0.6
97.06606	1.3
104.54156	0.7
114.33786	0.6
121.06626	2.9
121.24102	0.7
123.08156	11.0
133.06601	2.0
135.08159	3.5
137.09676	1.1
154.79053	0.6
189.12810	0.7
196.64209	0.7
205.12357	1.3
205.15848	0.7
206.04440	0.6
265.18127	2.2
266.18536	0.9
271.17041	1.1
287.20282	1.1
289.18063	3.6
303.19751	1.0
305.21222	5.2
305.87140	0.7
317.21271	0.9
352.18393	0.6
355.26785	1.0
363.26981	1.2
371.25934	2.6
377.28552	2.2
379.30075	3.9
383.26031	2.1
389.27161	3.4
391.30179	0.7
393.31775	3.7
401.27042	2.8
409.31122	6.4
410.31494	0.7
411.32745	8.8
421.27173	0.9
425.31076	1.0
427.32324	3.1
429.33792	0.9
437.30627	4.4
443.31696	2.2
453.30298	1.6
455.31653	21.9
456.31958	2.8
457.29575	0.6
473.32828	100.0
474.33188	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	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
59.01381	39.8
66.62456	1.0
71.01384	15.4
71.52839	1.6
72.99283	1.2
73.02942	5.0
77.51878	1.0
83.01392	1.5
85.02943	3.9
87.00871	2.5
89.02438	10.6
101.02451	9.4
111.00848	1.2
113.02441	4.7
117.03457	3.1
119.03499	2.9
121.02956	2.2
125.02426	3.1
132.02171	16.5
133.03008	2.1
134.03745	33.1
135.04489	2.6
135.06651	5.8
137.02434	2.6
139.00369	1.7
143.03424	1.3
145.02953	3.3
147.04524	1.9
149.02438	6.0
149.06104	5.7
159.06670	1.3
160.01654	81.8
161.02364	7.4
161.04530	2.3
163.00395	3.0
164.04808	2.2
166.99838	1.3
168.72093	1.1
169.01375	2.2
175.03986	100.0
176.04422	5.2
177.05547	2.0
178.02722	1.3
179.03537	3.0
179.05566	1.1
189.01984	1.4
190.02696	4.5
190.99823	1.7
191.03575	1.6
191.05542	1.3
191.07118	2.6
193.05042	43.4
194.05333	2.5
205.05089	4.1
222.33113	1.2
229.01292	2.4
235.06064	4.9
239.67448	1.2
245.01085	1.3
247.02391	5.1
295.07953	1.4
300.99838	3.5
323.07806	1.2
337.02130	1.6
337.09219	1.4
361.94775	1.5
473.16586	95.5
474.16904	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	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.1
59.01378	10.6
61.98813	2.6
69.03439	3.2
69.45895	3.9
69.46300	1.7
71.01380	16.8
71.05009	5.5
73.02944	5.4
75.00874	1.0
83.01386	3.6
83.05004	4.0
85.02956	8.0
89.02432	1.9
92.93414	0.8
95.01413	0.9
97.06594	1.9
99.00871	1.8
99.68142	0.8
101.02440	8.1
101.06077	7.1
109.06585	1.0
111.08165	10.5
113.02463	5.4
114.08433	0.9
121.10219	0.8
125.02451	1.1
135.04515	0.8
140.82390	0.9
147.11862	1.1
159.02963	1.1
161.04572	6.8
163.11264	0.9
165.12843	100.0
166.13210	3.5
181.05115	1.4
181.12344	3.2
183.13895	59.6
184.14238	2.0
191.10786	2.1
209.11778	9.2
227.12898	8.6
263.11325	2.7
270.27039	0.9
473.23868	75.8
473.32544	10.9
474.24069	9.5
474.31500	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	473.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88972	0.3
59.01376	2.2
70.14571	0.3
71.01367	1.3
72.67867	0.3
74.98470	0.3
75.00861	1.1
77.22278	0.3
83.19159	0.3
85.02965	0.4
89.02451	0.8
93.03443	1.2
95.01334	0.4
98.19891	0.9
101.02464	0.5
109.02965	0.5
113.02451	0.5
117.01939	0.5
121.02973	1.6
125.02462	0.8
133.02945	2.0
134.03738	41.5
135.03094	2.0
135.04332	1.1
137.02440	6.5
139.04025	2.1
145.02921	1.0
149.02452	0.5
149.06079	14.7
150.03223	0.8
150.06401	0.6
161.02452	3.3
161.06026	0.4
163.00403	0.4
165.01967	0.6
169.01393	0.5
173.02332	0.4
177.05547	0.4
178.02704	26.1
179.03255	2.1
191.05745	0.3
193.05043	100.0
194.05376	4.7
205.05029	0.4
221.04468	0.5
235.06049	0.4
251.05670	0.7
281.06604	0.8
299.98776	0.4
300.99918	1.5
311.07712	1.3
355.10324	10.3
356.10641	1.0
431.91510	0.4
473.06454	0.5
473.12656	8.1
474.13434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
69.03400	0.4
71.01366	1.2
71.05843	0.9
72.08180	0.4
72.13487	0.4
75.00882	1.1
75.84868	0.4
89.02438	0.8
89.81784	0.4
93.03448	0.8
101.02455	0.7
110.99136	0.4
121.02937	1.5
125.02442	0.8
133.02945	1.6
134.03741	43.8
135.02986	2.4
135.04126	1.4
137.02444	6.1
139.04005	1.8
142.08661	0.4
145.02916	0.9
149.02449	0.7
149.06070	13.7
150.03194	0.9
150.06407	0.7
160.01654	0.5
161.02426	3.0
163.93568	0.4
165.01878	0.6
169.01459	0.7
175.03952	0.4
178.02704	29.5
179.03229	2.0
189.01947	0.5
191.03546	0.6
193.05043	100.0
194.05370	4.7
221.04524	0.5
235.06065	0.4
241.41096	0.5
251.05661	0.8
281.06561	0.6
299.98956	0.5
300.99857	1.1
311.07355	0.8
311.10394	0.5
355.10272	10.2
473.12717	6.8
474.13043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	1.2
59.01379	11.4
69.20776	0.9
69.80347	4.9
71.01377	7.0
73.02953	1.2
74.71429	0.9
83.01379	1.1
85.02936	4.7
86.11483	0.9
86.12070	0.9
87.00858	1.0
87.26334	0.9
89.02435	5.0
93.03463	12.5
95.01413	1.2
100.75846	0.9
101.02443	4.5
113.02470	2.1
117.03482	5.2
119.03484	1.5
119.05048	2.4
121.02966	3.5
122.64324	0.9
123.00976	1.1
125.02469	2.2
128.26370	0.9
132.02159	17.5
132.03059	1.4
133.02925	3.2
134.03737	37.5
135.04478	1.5
135.06645	2.7
137.02455	2.6
145.02968	9.3
149.06073	4.3
160.01660	81.3
161.02171	3.6
163.04012	1.4
165.01921	5.1
169.01480	2.5
175.03995	100.0
176.04410	5.3
178.02774	1.3
179.03516	2.0
191.07170	2.9
193.05057	48.8
194.05426	3.0
201.58324	0.9
205.05089	1.5
229.41884	0.9
235.06126	9.6
247.02444	2.2
249.11221	1.0
265.07123	2.3
273.00339	1.0
279.73422	0.8
295.08273	2.1
300.99857	2.3
307.08124	1.5
337.09235	2.7
419.62018	1.1
473.16656	87.5
474.17120	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	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86004	0.4
59.01373	1.0
63.23774	0.3
71.05021	0.4
76.84958	0.3
76.85481	0.3
81.36642	0.3
124.39993	0.3
139.13972	0.3
144.68256	0.4
188.49132	0.3
275.02136	0.3
339.58478	0.4
427.31763	0.5
449.79330	0.4
471.34839	100.0
472.35233	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	472.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98661	1.1
59.01383	45.8
61.71952	1.3
69.29901	11.4
71.01384	32.8
85.02968	5.0
87.00868	2.9
87.40412	1.1
89.02448	44.5
92.31594	1.3
95.01362	1.3
98.20734	1.7
99.00860	1.6
99.39384	1.4
101.02450	19.7
113.02451	11.9
119.03501	17.8
123.14518	1.3
130.07764	2.5
130.08742	44.3
131.03491	3.2
131.09103	1.7
143.03529	3.0
149.04527	1.9
161.04550	5.6
170.35281	1.4
179.05632	25.9
179.07115	0.9
248.58662	1.1
341.10886	100.0
342.11148	5.0
474.78018	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	473.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85397	0.4
53.16690	0.4
59.01378	10.4
60.07832	0.4
61.98820	1.5
67.01892	0.6
68.99808	1.2
69.03455	1.0
71.01373	2.3
71.53252	0.8
72.99303	0.6
73.02938	0.5
75.00854	0.5
79.01926	0.7
79.15204	0.4
81.03457	0.7
83.01389	2.5
85.02935	1.2
87.00401	0.5
87.00872	1.6
89.02457	1.0
89.46932	0.4
93.03458	3.2
95.01382	0.6
96.99335	0.8
97.02965	1.1
99.00873	1.5
101.02425	1.3
107.01402	3.2
109.02945	1.6
111.00879	1.3
113.02460	0.7
115.00352	3.2
117.03447	2.4
119.05010	6.6
121.02930	0.6
121.06603	0.8
123.00860	1.7
123.04511	1.3
124.01636	1.0
125.02442	41.9
126.02790	1.3
127.00353	0.6
130.04265	0.6
131.05037	2.2
133.02946	1.6
133.06586	0.8
134.03722	2.0
135.02994	1.0
135.04500	1.5
136.98778	0.7
137.02386	0.8
139.00363	1.6
140.01109	0.9
140.33742	0.5
143.04974	0.6
145.02936	7.6
147.04498	5.9
149.06055	4.5
151.00352	1.2
151.04007	0.7
157.01353	0.8
159.04558	0.5
161.02420	4.7
161.06058	1.0
163.04047	4.6
165.01938	1.1
165.05521	2.3
168.00635	1.4
169.01416	100.0
170.01776	2.8
171.04512	0.6
173.06107	0.4
175.02473	6.2
175.03981	1.0
177.01990	1.5
177.05571	5.5
179.03476	0.8
179.10738	0.9
189.01929	1.8
189.05646	1.5
190.02599	0.6
191.03484	0.5
193.05058	3.5
203.03520	0.7
203.07120	0.6
215.07135	1.6
217.01360	1.2
217.05034	1.6
219.03018	0.5
221.04538	7.6
231.02873	0.8
251.01965	1.4
259.06100	0.8
261.04010	1.9
265.62268	0.5
271.06119	0.7
277.07126	1.1
281.04514	0.7
303.05096	1.2
307.08276	1.3
321.06116	4.2
341.06683	6.2
342.06967	0.6
343.07269	1.0
429.08267	3.4
435.10812	3.5
437.11652	0.6
473.07245	10.2
473.14539	4.1
473.20529	0.8
473.32803	1.5
474.07724	1.4
474.14557	0.9
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
60.99304	2.4
69.31348	3.4
71.69643	0.3
72.47886	0.4
91.02021	0.4
97.06602	0.5
107.44498	0.4
110.93264	0.4
137.09709	0.5
175.89993	0.4
186.68332	0.4
340.31097	0.6
391.30554	0.5
405.31360	0.7
407.33246	4.1
408.33746	0.5
409.31241	0.5
425.34125	0.7
427.32285	0.5
451.32202	1.2
453.34070	4.3
454.34241	0.4
471.34863	100.0
472.35202	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	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56251	0.3
60.08674	0.3
70.20399	0.8
70.20782	0.6
102.52857	0.3
120.05030	0.3
148.83514	0.3
154.62601	0.3
186.56424	0.4
471.34775	100.0
472.35101	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	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17760	0.3
55.78531	0.3
61.37512	0.3
70.84854	0.3
86.67576	0.3
92.90271	0.3
98.20676	0.8
118.43369	0.3
407.33130	0.9
471.34763	100.0
472.35135	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	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04413	0.2
69.50522	0.6
69.50935	1.3
82.29761	0.3
123.15116	0.2
190.72987	0.3
257.83865	0.3
288.98340	0.3
348.24319	0.3
423.32657	0.5
443.41486	0.3
471.34763	100.0
472.35089	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	471.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72047	0.3
69.23978	2.4
69.24406	1.0
73.56341	0.3
86.78584	0.3
91.86036	0.3
98.20660	0.7
121.42386	0.3
125.42283	0.4
180.21152	0.3
195.88016	0.4
267.71255	0.4
471.34756	100.0
472.35117	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	471.3478
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
54.92929	0.3
70.00144	1.6
98.20653	0.5
116.02898	0.3
281.91269	0.3
308.52640	0.3
320.68942	0.4
471.34763	100.0
472.28275	0.7
472.35074	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	471.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.1
69.28186	1.9
69.28609	3.0
70.96627	0.5
71.05013	1.4
73.28420	0.5
86.82120	0.6
97.06580	0.5
123.08109	0.6
189.12872	1.3
363.26965	1.7
363.93820	0.7
375.26630	1.4
377.28690	1.2
379.29965	3.5
389.28317	1.8
391.25754	0.8
391.30060	9.7
407.29553	2.4
409.31165	13.5
410.31418	1.5
411.29071	0.7
425.30701	5.6
426.30801	0.6
427.32327	2.8
441.29922	2.3
453.30002	5.9
454.30457	0.6
471.30978	100.0
472.31418	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	471.3115
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
54.77100	0.8
57.00669	0.8
58.71714	0.6
69.31593	1.7
69.32001	4.5
71.05014	1.0
83.66202	0.7
93.44781	0.7
95.38741	0.7
97.06578	0.8
109.06567	0.8
123.08179	1.4
134.63551	0.8
138.62520	0.7
144.86418	0.8
175.11292	0.7
178.30014	0.9
183.13982	1.6
224.58995	0.8
245.78813	0.8
263.01382	0.8
270.42200	0.7
288.03769	0.8
289.17926	0.7
345.22321	1.0
363.26797	0.9
369.24231	0.9
375.26996	0.9
377.28488	9.7
378.28888	1.2
379.30069	2.8
389.28458	2.2
390.28848	0.8
391.30020	2.2
405.27969	0.8
407.29535	21.2
408.29648	2.2
409.31436	1.3
411.29388	0.9
423.29160	0.9
425.30588	6.8
426.31021	0.9
427.27219	1.1
427.32101	7.1
428.32333	0.8
441.30020	3.2
453.30444	3.4
471.31070	100.0
472.31354	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	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81665	0.5
71.05005	0.7
85.56202	0.6
88.03745	0.5
97.06586	3.5
104.25457	0.5
104.43383	0.6
112.34992	0.5
112.62022	0.4
122.91275	0.6
123.56418	0.5
196.72816	0.6
225.46823	0.6
321.65125	0.5
330.88922	0.6
389.28470	1.3
391.29987	5.2
400.24927	0.6
405.31958	3.6
407.33218	9.5
408.33511	1.3
423.29135	1.1
435.92392	0.7
441.33768	1.1
451.32132	11.0
451.38168	0.9
452.32419	0.9
453.33795	43.5
454.34143	5.7
471.34796	100.0
472.35184	13.5
499.62051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15696	0.7
54.14441	0.9
54.42283	0.7
57.03444	3.6
58.00605	1.3
59.01381	22.6
61.98832	0.9
66.57984	0.8
70.54582	2.1
71.01388	18.1
71.05025	3.8
72.99300	2.4
73.02949	7.0
83.01393	1.3
83.05039	1.7
85.02941	5.6
85.06571	0.9
87.00866	1.4
87.04520	1.1
89.02450	8.2
95.01416	0.9
97.06569	1.7
99.00886	1.5
101.02448	6.6
104.72839	0.8
113.02463	3.7
119.03506	3.0
123.08149	1.0
125.35384	0.7
137.09724	1.0
139.11221	1.2
145.02957	2.2
150.90704	0.8
151.11308	4.4
153.09167	0.9
153.12836	0.9
165.12842	1.8
169.12367	1.0
181.12361	1.4
185.73871	0.8
197.11853	9.5
199.13451	3.0
203.10596	1.0
203.38974	0.8
205.12320	1.6
207.14011	1.0
209.11749	1.8
211.13379	28.5
221.11606	0.9
263.20114	1.2
268.93478	0.8
291.19678	34.1
292.20032	2.6
293.21274	1.2
296.55289	0.9
309.20761	3.6
387.25214	4.0
411.23544	1.0
413.30988	1.2
425.30490	1.9
426.30902	1.0
427.32452	1.2
435.29080	1.2
443.31931	1.5
453.30338	9.1
454.30157	1.4
471.25897	100.0
471.31393	31.0
472.25888	9.8
472.31653	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	471.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	3.8
58.00595	1.4
59.01376	26.4
62.37873	1.0
69.03439	2.6
71.01385	13.5
71.05035	5.7
72.99303	2.1
81.51713	1.2
83.05023	2.6
85.02935	3.7
89.02444	13.1
94.26864	1.0
95.24909	1.0
97.06570	2.7
97.86048	1.1
98.20671	3.2
101.02452	6.4
111.08157	10.1
113.02425	5.4
119.03482	3.7
121.06566	1.0
123.04529	1.3
126.20605	1.1
149.02435	1.1
153.09178	1.9
165.12842	100.0
166.13167	3.5
175.67909	1.1
181.12328	1.7
183.13884	48.5
184.14369	1.8
191.10759	2.6
197.15445	9.5
203.10767	1.3
205.12230	4.2
209.11798	10.5
219.13864	5.2
225.15010	2.0
227.12848	6.5
233.15421	2.3
243.14076	1.2
251.16518	4.5
294.10510	1.2
357.24268	1.7
387.21652	5.0
387.25952	1.6
399.21445	2.4
399.26007	1.4
407.29337	5.0
425.30746	3.2
427.32361	10.2
437.30878	2.4
453.29510	6.2
459.86978	1.2
471.26205	57.9
471.31369	37.0
472.25726	6.4
472.32083	3.3
475.02832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92637	1.8
57.03421	2.0
59.01378	68.7
61.98819	1.7
62.03243	1.5
69.03443	1.7
69.43095	3.3
69.43491	10.5
71.01075	1.6
71.01382	22.7
72.99299	1.6
73.02946	2.5
73.65630	1.8
75.00855	2.2
78.81001	1.5
83.01381	1.9
85.02937	9.6
86.97211	2.1
87.00864	3.8
89.02444	24.4
93.03426	6.1
95.01355	2.6
97.02918	3.0
98.19945	3.6
101.02444	15.7
108.49413	1.5
109.02930	3.6
109.13963	1.6
113.02464	10.7
116.67795	1.6
119.03475	11.3
121.02918	1.6
125.02464	9.7
129.01938	1.7
133.02953	12.8
134.03766	9.0
135.04527	59.0
137.02434	6.5
145.02927	2.7
147.04486	3.3
148.05240	4.1
149.06100	15.1
151.00323	1.8
153.01874	3.1
154.94196	1.6
160.01715	10.2
161.02435	58.1
161.04459	2.8
162.02759	1.8
165.01917	2.3
168.00565	2.4
168.33720	1.6
169.01468	10.1
173.04567	3.7
175.03984	11.0
176.04700	1.9
177.04085	3.8
177.05515	24.3
178.02643	3.3
179.03494	59.2
181.01424	2.0
191.05521	5.7
191.07079	2.4
193.04980	7.6
195.04982	3.6
203.03531	1.8
221.02611	2.4
221.04544	24.0
235.06091	5.7
251.05580	13.5
265.07059	2.3
281.06674	23.2
295.08026	2.4
300.91635	1.5
300.99802	3.2
302.00208	2.0
309.11896	67.9
310.12128	2.1
338.25247	1.7
341.08643	8.4
355.08521	1.7
378.02460	1.7
397.11423	4.3
471.14944	100.0
471.34793	3.7
472.15646	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	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
59.01379	100.0
60.01721	0.7
61.98837	2.7
71.01379	3.9
73.02943	1.0
83.01371	0.7
83.20096	0.5
83.41347	0.5
85.02966	1.6
89.02470	0.8
93.03460	1.2
99.00846	0.7
99.04520	0.5
101.02472	1.7
106.83440	0.5
113.02482	1.2
117.03462	15.1
119.05028	94.6
120.05339	3.3
125.02451	2.0
125.09673	0.7
133.02974	0.8
145.02950	62.2
146.03331	2.6
147.04546	0.5
161.02470	3.2
161.04611	0.6
161.06015	1.4
162.02792	1.3
163.04008	55.5
164.04338	2.1
169.01416	2.4
177.04065	0.9
187.03992	0.8
190.02672	1.1
197.46404	0.5
203.05608	1.6
205.05064	2.2
207.13887	6.2
249.14952	1.7
273.05243	0.5
307.08215	37.2
308.08554	2.2
471.12878	14.6
471.18915	2.4
471.35071	0.9
472.13058	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	471.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85775	0.3
53.45475	0.3
59.01390	2.3
69.42229	2.4
71.01400	0.8
76.49258	0.3
77.07560	0.4
85.02960	0.3
89.15543	0.3
93.03496	0.5
101.02428	0.6
109.38903	0.3
113.02462	0.5
117.03463	27.2
118.03816	0.9
119.05032	13.2
120.05399	0.3
121.02953	0.5
131.05017	0.4
132.05818	0.5
133.06578	1.5
136.84898	0.3
139.00365	0.4
145.02953	100.0
146.03304	3.7
151.03426	0.3
159.04504	1.3
161.06087	3.4
161.55307	0.3
163.04013	14.1
177.05576	0.7
187.04018	5.0
205.05061	2.6
235.06133	3.1
239.03545	0.5
265.07135	4.3
266.07541	0.3
295.02554	0.5
307.08221	11.6
308.08463	0.6
325.09122	1.6
350.00772	0.5
371.92691	0.4
387.19785	0.3
411.10770	1.1
471.02136	5.6
471.12778	3.4
472.02347	0.6
472.13269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
64.54871	0.3
69.25138	3.3
71.01382	0.5
76.59805	0.4
78.45214	0.3
80.60020	0.4
89.10141	0.3
101.02456	0.4
113.02452	0.5
117.03468	25.1
118.03815	0.6
119.05022	12.2
126.48185	0.3
132.05826	0.6
133.06569	1.3
142.10893	0.4
145.02953	100.0
146.03291	3.9
159.04524	1.1
161.06084	2.7
162.06566	0.4
163.04008	13.8
163.49188	0.4
164.04317	0.7
166.91354	0.4
177.05568	1.0
187.04007	4.5
205.05008	2.6
207.26645	0.4
229.04904	0.4
235.06152	2.3
265.07169	4.2
286.41904	0.3
307.08212	12.1
308.08621	0.4
325.09390	1.6
351.08618	0.5
411.10828	1.1
440.69827	0.4
464.92838	0.4
471.12900	6.9
472.13431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35418	0.3
59.01379	4.2
61.98822	0.5
69.55174	2.3
71.01391	1.0
75.00870	1.1
83.01360	0.4
85.02973	0.6
93.03461	0.5
96.15811	0.3
101.02409	0.7
108.93582	0.3
117.03460	17.7
118.03703	0.5
119.05022	100.0
120.05349	3.9
125.02464	0.6
141.23071	0.3
145.02948	61.2
146.03282	2.3
147.04466	0.6
161.02402	0.5
161.06085	0.8
163.04004	80.3
164.04324	3.3
169.01399	0.7
169.47401	0.4
177.04059	0.3
184.39462	0.3
205.05019	0.6
307.08206	29.1
308.08633	2.2
471.12817	17.4
472.13248	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	471.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74757	0.3
59.01385	1.5
61.98825	0.4
64.47971	0.3
67.01920	0.3
69.03454	0.3
71.01381	0.5
73.02943	0.4
75.00893	0.3
78.89607	0.3
83.05045	0.4
85.02952	7.0
87.00867	1.1
93.03468	2.3
95.01357	0.4
97.02953	0.8
99.04549	0.3
101.02435	0.5
109.02966	1.9
111.04533	1.2
119.05024	0.7
121.31098	0.3
125.02448	1.9
127.03972	1.6
129.01973	1.5
133.02963	1.3
134.03748	0.3
135.03004	0.4
135.04520	4.0
136.04872	0.4
137.02457	1.7
145.02925	0.3
147.03012	1.4
151.03995	0.4
151.39520	0.3
152.01187	0.3
153.01982	1.5
159.04486	0.4
160.66862	0.3
161.02443	5.0
161.06082	1.0
163.04053	0.5
165.01894	1.5
169.01419	0.3
171.04489	0.6
173.04532	1.0
173.05989	0.7
175.03957	0.6
179.03493	5.4
187.03989	0.5
189.05566	0.9
191.05603	100.0
192.05917	3.5
193.05118	0.7
199.04066	0.9
204.04277	0.4
211.03989	0.6
213.05621	0.5
215.03607	0.3
217.05060	1.4
227.07008	0.3
243.02942	0.4
269.08224	0.4
288.01172	0.3
300.99582	0.4
309.08270	0.5
337.07053	0.6
341.08780	0.6
353.08728	10.0
354.09021	1.0
355.07980	1.5
381.06107	0.9
428.23889	0.3
453.04538	1.0
471.10925	3.4
471.34531	0.6
472.12900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.9
61.98854	0.3
71.01396	1.2
73.02969	0.4
85.02955	0.7
93.03438	0.9
101.02436	0.5
113.02470	0.5
117.03470	14.4
118.03822	0.4
119.05026	100.0
120.05356	2.9
131.04970	0.3
133.02908	0.4
133.06593	0.4
135.04482	0.3
143.08394	0.3
145.02953	63.6
146.03279	2.9
161.06108	0.8
163.04010	58.0
164.04335	2.0
187.04041	0.6
205.05066	1.1
206.05762	0.3
214.10626	0.4
232.30788	0.3
249.14815	0.4
307.08212	42.2
308.08472	2.9
471.12939	17.8
471.18597	0.8
472.13202	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	471.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92131	4.3
57.03442	21.9
59.01376	45.8
59.83986	3.6
61.98822	44.8
63.99243	6.0
67.01868	5.0
69.03465	5.8
69.56464	27.1
71.01388	9.3
78.09958	3.7
81.03449	4.4
83.01375	21.0
85.02941	8.4
87.52274	4.1
88.98817	8.6
93.03439	4.5
95.01372	7.1
95.05009	6.2
97.02944	46.1
101.02425	4.8
105.01944	5.3
107.05021	14.2
109.02931	16.5
112.00713	4.4
113.71315	3.7
117.03491	4.9
119.04998	8.6
121.02927	12.5
125.02449	97.6
126.02799	4.9
129.01978	6.1
131.04990	8.3
133.02960	28.6
134.03694	6.2
135.04538	20.4
137.02443	74.4
139.03996	12.2
143.05008	13.3
145.02943	5.5
145.06531	4.1
147.02937	5.7
147.04483	12.8
149.02400	9.4
151.03929	22.0
153.01999	4.6
158.03757	6.3
159.04500	19.1
160.01628	6.3
161.02438	100.0
161.04745	6.6
161.06062	61.4
163.00359	7.4
163.04007	11.4
164.01106	13.6
165.01923	75.3
167.03526	9.3
171.04507	12.8
172.05290	13.9
173.06042	36.5
174.03201	18.2
175.03952	16.5
177.01906	9.0
178.02666	6.7
179.03477	15.0
183.04538	5.1
185.02501	5.6
185.06021	6.3
187.04001	27.5
188.04691	7.0
189.01877	5.9
189.05557	70.6
190.02612	9.5
190.06261	4.4
191.03450	33.8
191.05540	11.6
193.05119	22.0
196.06950	4.3
198.03096	6.5
199.03984	64.3
200.04567	5.0
203.03477	17.1
204.04254	37.4
205.04977	5.4
211.04028	40.8
212.04860	7.4
213.05551	26.7
215.03497	39.5
216.04042	5.5
217.05034	65.1
219.06584	32.7
225.05544	9.7
227.07077	10.4
229.05031	14.8
230.02031	5.1
231.02924	5.4
231.06532	4.9
243.02994	26.4
249.07651	59.4
250.08359	4.9
251.07259	7.2
253.05009	15.0
254.05779	4.4
255.02875	18.5
255.06549	9.1
269.08112	20.2
271.06143	7.6
287.09265	9.1
293.08145	5.0
295.06058	7.0
299.05536	10.0
300.99725	11.2
311.09128	21.8
313.07196	8.8
323.07788	6.3
337.07172	33.8
338.07227	6.3
341.08691	5.4
355.08127	93.6
381.06168	45.3
399.07269	5.6
453.04663	46.9
454.05234	4.7
471.15430	59.4
472.14963	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12234	0.3
57.03452	0.6
59.01382	1.5
59.71349	0.3
61.98809	0.4
65.15485	0.3
67.01883	0.3
69.03449	0.3
69.17407	2.8
71.01378	1.1
75.00864	0.4
79.63511	0.2
81.03451	0.4
83.01376	0.5
85.02950	6.9
87.00872	1.3
93.03453	2.9
96.96094	0.4
97.02937	1.0
98.20687	0.5
99.04499	0.5
101.02475	0.5
109.02937	2.8
111.04515	0.8
119.05000	0.5
121.02905	0.3
121.44711	0.3
125.02459	2.3
127.04029	1.9
129.01924	1.0
133.02934	1.4
134.03757	0.4
135.02968	0.7
135.04512	3.7
137.02454	2.2
139.04016	0.3
143.04987	0.3
147.02983	1.1
147.04559	0.4
151.04012	0.7
153.01921	1.2
155.08264	0.4
159.04459	0.5
161.02437	6.0
161.06084	1.1
163.04004	0.9
165.01904	1.6
169.01477	0.5
171.03148	0.4
173.04533	1.1
173.06071	1.1
179.03517	4.2
187.03978	0.7
189.05537	1.7
191.05606	100.0
192.05969	3.4
193.04993	0.4
199.04039	1.3
201.05795	0.3
203.03354	0.5
204.04196	0.4
211.04001	1.0
213.05573	0.9
215.00078	0.3
215.03549	0.9
217.05119	1.6
219.06721	0.4
227.07259	0.4
229.05008	0.6
243.03018	0.6
249.07520	0.7
255.02953	0.4
279.06207	0.3
299.05518	0.5
300.99820	0.6
311.09222	0.5
337.07227	0.5
341.08905	0.5
353.08737	8.8
354.09305	0.8
355.08289	1.7
381.06125	1.2
382.06931	0.3
453.04785	1.0
471.10904	3.5
472.13840	0.9
473.48087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3321
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.12983	0.5
62.38516	0.4
69.38326	3.4
71.05014	2.3
71.84004	0.5
81.06464	0.5
85.30478	0.4
94.17583	0.5
97.06611	0.8
98.19943	1.0
106.22707	0.4
113.95447	0.5
123.62453	0.5
163.72961	0.5
376.94647	0.5
403.29849	0.6
405.31680	1.6
407.33252	2.6
409.31232	2.7
425.34204	1.1
437.30762	0.5
439.32361	0.8
451.32162	14.6
452.32587	1.4
469.33200	100.0
470.33502	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	469.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69632	0.4
66.64767	0.3
69.94321	1.6
70.27868	0.3
74.55577	0.3
139.93260	0.4
156.07300	0.3
180.41721	0.3
192.03024	0.3
210.60973	0.3
238.31241	0.3
241.21844	0.4
242.47362	0.3
291.52054	0.4
297.54095	0.4
469.33191	100.0
470.33539	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	469.3321
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
64.37041	0.3
69.25091	2.4
84.91829	0.3
89.86893	0.3
99.97878	0.3
110.67393	0.3
141.51582	0.3
170.27118	0.3
221.37892	0.3
263.43805	0.3
451.32111	0.9
469.33200	100.0
470.33563	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	469.332
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
57.74025	0.3
70.84921	1.0
96.67270	0.3
100.99793	0.3
215.07217	0.4
338.17584	0.3
390.58084	0.4
409.95572	0.4
423.32745	0.6
469.33194	100.0
470.33530	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	470.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98829	100.0
69.21284	4.9
89.50445	0.5
98.19907	0.9
101.02463	0.8
101.55330	0.4
108.57103	0.5
125.02480	1.7
135.04562	0.5
161.02452	0.6
169.01456	1.6
175.14561	0.5
471.15009	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	469.3317
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
52.05560	0.1
55.65780	0.2
58.00592	0.8
58.23380	0.1
59.01394	0.4
61.98817	0.2
62.24807	0.2
65.81448	0.1
69.31587	0.7
69.32020	0.7
71.05014	0.2
73.02936	0.2
76.99931	0.1
97.06590	1.3
102.76462	0.1
104.14045	0.2
120.32980	0.2
125.02470	1.0
153.09184	0.3
169.01416	0.7
299.90244	0.2
299.99289	0.3
300.99991	0.2
371.26663	0.2
374.25894	0.5
375.26932	0.2
381.28146	0.4
387.30707	0.8
389.28546	3.3
390.28830	0.5
403.25781	0.3
403.30356	0.3
405.27231	0.2
405.31790	0.7
406.28632	3.9
407.29068	1.1
421.26990	0.2
421.31268	2.3
422.31445	0.3
423.32730	8.6
424.33017	1.3
425.30615	0.2
437.30701	0.2
439.28476	0.9
440.28812	0.2
451.28412	0.2
455.31635	0.7
467.31784	0.7
469.33255	100.0
470.33609	12.8
493.56650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3321
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
60.00125	0.4
62.86868	0.3
66.37035	0.3
68.43201	0.3
69.29071	1.7
69.29474	0.6
123.20449	0.3
166.44432	0.3
296.15115	0.3
373.17950	0.3
425.34070	0.6
469.33212	100.0
470.33566	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	469.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42261	0.3
54.92024	0.4
67.44318	0.3
67.65108	0.4
69.47574	2.9
71.05020	1.9
72.02787	0.4
73.57597	0.3
97.06561	1.1
103.27538	0.4
166.13025	0.4
169.68326	0.4
213.77736	0.4
390.34616	0.4
395.33270	0.7
407.33218	1.1
409.30972	2.1
425.34164	1.0
439.32098	1.1
451.32138	14.2
452.32559	1.6
469.33191	100.0
470.33560	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	469.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50964	1.9
55.01878	4.0
57.03443	5.6
59.01379	13.5
68.99820	5.8
69.83762	12.2
71.01384	30.5
72.99299	19.0
75.00860	7.9
75.02567	4.8
83.01385	18.8
85.01013	7.8
85.02941	6.5
87.00875	7.1
88.98793	3.4
89.02439	3.4
99.00880	30.3
100.98849	2.5
101.02453	4.4
103.00373	3.5
111.00866	31.3
111.04392	2.6
112.98807	75.1
113.04340	2.0
113.99197	3.1
114.98450	4.8
115.00377	13.0
115.02074	3.5
117.01928	7.6
119.77510	2.1
123.00872	2.3
124.98776	3.8
125.02419	3.1
126.63035	2.0
128.03548	28.2
129.01926	16.3
135.81882	2.2
142.99858	15.9
143.01559	3.5
145.01427	75.9
146.01689	2.3
154.99776	2.7
157.01384	4.6
171.01045	10.1
173.00903	17.2
187.02483	5.0
187.04106	2.9
203.76682	2.4
205.03488	5.7
231.03154	9.0
261.00308	3.7
263.02734	3.0
263.05771	49.2
288.99832	2.6
333.06125	4.4
365.08823	3.2
391.07135	3.2
409.08469	2.7
451.08978	12.6
469.10083	100.0
470.10532	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	469.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.4
61.98830	15.1
71.01373	10.9
71.35636	1.3
75.77052	1.3
85.02916	3.5
89.02464	7.0
93.03419	4.5
93.64206	1.6
99.00832	1.5
101.02422	7.5
113.02417	3.6
117.03448	8.9
119.03506	3.1
119.05024	73.9
120.05338	3.0
121.02895	4.1
123.04430	1.9
125.02444	3.5
131.04996	2.0
132.05760	5.1
133.02965	8.8
133.06610	24.2
135.04510	3.2
145.02953	53.7
146.03304	2.0
147.04483	2.3
149.05972	2.8
159.04460	2.6
161.02432	20.1
161.06081	61.4
162.02998	2.0
162.06342	2.6
163.04007	97.0
164.04327	3.3
169.01323	4.0
177.05569	35.4
187.03963	2.6
189.01813	2.3
191.85245	1.4
201.33308	1.2
205.05049	76.5
206.05247	2.0
208.15590	1.6
217.01358	3.1
235.06107	26.0
236.06395	1.4
245.01001	8.0
246.01530	3.4
247.02405	2.1
265.04422	2.5
265.07147	47.4
266.07367	1.9
293.40744	1.4
301.71170	1.5
323.09702	2.1
323.13446	34.9
323.38367	1.6
325.09082	3.2
335.40256	1.2
425.08658	5.6
469.16821	100.0
470.17056	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	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61648	0.5
59.01376	3.0
59.32099	0.4
61.98828	100.0
69.30769	4.1
71.01405	0.5
72.60410	0.4
83.05480	0.5
95.01402	0.6
96.96020	3.3
98.95583	0.5
100.20452	0.4
109.02937	0.8
111.00874	0.5
123.00909	0.8
125.02446	5.3
137.02443	0.6
137.27725	0.5
164.01149	0.7
165.01917	1.8
169.01414	5.3
170.01721	0.6
180.04286	1.4
191.03479	0.4
195.06621	3.2
197.55396	0.4
201.01915	0.8
208.22134	0.4
225.07671	1.4
225.11409	0.4
229.01428	0.9
231.03102	0.5
245.00981	0.6
248.02951	0.5
254.83920	0.4
274.17413	0.4
275.02078	1.7
276.02328	0.6
289.07260	1.0
299.99066	0.6
300.99844	6.4
302.00107	2.9
305.07080	0.8
306.07407	2.4
307.06723	0.7
390.68558	0.4
391.03098	1.7
391.53177	5.2
392.03735	2.0
393.41623	0.5
421.15347	0.7
467.53925	1.0
468.12881	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	469.0047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
61.98822	2.8
69.69890	4.8
71.01368	1.0
88.98779	1.0
95.01379	5.7
107.01376	2.2
108.02191	1.2
109.02946	1.4
113.04089	0.7
123.00903	6.6
125.02444	9.1
126.02761	2.0
135.03033	0.7
135.04587	1.1
139.00395	1.0
139.84662	0.8
140.01147	0.8
145.02904	1.7
151.00357	2.6
159.00952	0.8
160.01636	0.8
163.04021	1.0
166.99875	11.3
168.00421	0.9
169.01414	12.9
170.01672	1.9
172.01633	3.5
173.02380	1.4
180.42290	0.7
185.02438	2.6
189.01823	0.8
192.03764	0.8
200.01166	2.4
201.01956	1.9
213.01854	0.9
214.99969	1.4
216.00632	3.0
226.99867	2.3
228.00705	4.0
229.01416	4.2
242.99306	3.0
244.00082	3.1
245.00877	1.3
257.00903	2.6
265.07153	1.0
270.98843	14.7
271.99536	3.8
273.00241	1.3
275.01932	1.9
276.02054	1.0
282.98770	2.1
283.99622	3.0
285.00290	2.1
298.98322	24.4
299.99094	50.5
300.99866	100.0
302.00253	8.5
307.06845	1.0
312.13538	0.8
407.00330	1.7
425.01535	8.2
425.09760	1.0
426.01755	1.4
450.99323	4.9
468.08707	1.2
469.00430	7.1
469.08789	3.2
484.94183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.1
59.73758	1.0
60.04134	0.8
60.13022	0.8
61.98829	100.0
65.07256	0.9
68.97235	0.7
69.55490	4.4
69.55906	1.8
71.01372	0.9
74.99355	0.9
79.62949	0.8
93.03442	1.7
117.03403	1.1
125.02408	1.3
128.07922	1.4
137.02443	2.1
138.02660	0.9
145.02957	2.7
161.02403	0.9
169.01392	1.8
170.01688	0.9
189.25682	0.9
255.05827	1.1
255.89865	0.9
403.37778	1.0
450.14774	1.0
467.31354	1.8
468.31995	2.2
469.32816	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	468.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82737	0.5
52.05689	0.4
59.01373	1.5
59.64233	0.4
61.98830	100.0
70.03924	2.3
89.02431	0.6
97.92134	0.4
109.02966	1.1
125.02453	3.7
149.70680	0.5
153.01877	0.6
157.02730	0.5
168.11044	0.6
169.01424	5.4
170.01759	1.0
187.43060	0.4
209.34685	0.5
229.01459	0.6
275.01807	0.8
300.99905	4.2
302.00354	1.2
391.02994	0.7
391.53210	2.4
392.03452	0.7
468.08435	1.0
476.26685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3164
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
55.40603	0.3
61.98820	0.4
71.52779	0.5
91.20761	0.3
97.02901	0.3
123.00861	0.3
125.02443	0.4
169.01399	0.7
184.04276	0.4
300.99802	0.9
309.58899	0.3
336.92395	0.4
391.03110	0.5
408.44016	0.3
421.30844	0.5
423.32251	0.5
437.06287	0.3
437.27725	0.3
467.31650	100.0
468.31970	14.6
468.38721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3164
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.32342	0.7
56.58516	0.7
70.84045	0.8
70.84372	1.3
71.05007	1.1
72.20335	0.7
85.76152	0.6
85.89949	0.6
105.53915	0.6
163.65895	0.6
179.72253	0.7
270.30798	0.6
405.31586	1.7
421.31137	1.0
423.32562	0.8
449.30545	8.1
450.30701	1.1
467.31641	100.0
468.31909	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	467.3164
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
59.01371	2.5
61.98814	0.9
71.05017	1.3
71.53568	1.5
83.05022	8.5
85.82154	0.8
88.89330	0.7
92.95186	0.7
95.01420	1.2
97.06582	1.6
97.93143	0.7
108.36510	1.0
124.22863	0.7
125.02437	2.7
161.02502	0.8
169.01419	2.9
176.50974	0.7
217.23648	0.7
239.20236	1.2
245.04323	1.7
258.40121	0.7
274.77542	0.7
280.33957	0.7
300.99835	5.4
304.93149	0.8
307.24387	1.4
357.26260	0.8
389.28278	1.1
391.02921	1.9
395.29297	1.6
405.31696	1.4
407.29413	2.3
414.23282	0.9
421.31512	0.9
423.32596	2.1
437.30609	5.4
449.30670	18.4
450.30988	1.3
467.31683	100.0
468.32108	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.0
59.01381	50.0
61.98830	23.2
65.00320	1.8
66.43507	1.5
67.01884	4.2
68.99806	1.7
69.03448	4.7
71.00731	3.4
71.01379	27.5
72.01695	1.6
72.99302	2.8
73.02940	14.4
74.35656	1.5
75.00868	3.7
83.01395	7.9
84.02162	1.5
85.02948	63.1
85.06593	5.4
87.00878	8.4
88.79035	1.5
89.02434	19.6
93.03460	14.2
95.01380	7.1
96.96005	1.5
97.02896	3.4
97.72868	1.4
99.00880	2.4
101.02437	23.4
103.00341	1.8
103.04001	5.1
107.01392	9.1
108.02164	2.5
109.02938	7.1
111.00883	7.1
111.04512	2.4
113.02443	6.6
113.99628	1.6
115.04015	3.4
117.03497	2.4
119.03487	7.3
120.99611	1.9
123.00868	15.0
124.01662	2.1
125.02449	55.9
126.02766	1.9
127.03994	3.7
129.01936	4.7
131.03474	3.7
133.01436	2.0
133.02943	4.2
135.04474	3.8
137.02463	3.2
139.00372	8.9
140.01129	2.8
141.01959	2.6
143.03447	4.7
143.05052	3.6
145.02953	4.8
145.05026	2.7
147.03000	4.1
147.04523	2.5
149.02452	1.8
151.00357	4.6
151.04001	1.9
153.01939	4.4
155.43845	1.4
155.46793	1.5
160.01721	1.7
161.02417	7.3
161.04471	2.4
163.00385	3.5
163.03963	3.9
163.06114	18.9
164.33415	1.6
164.98306	1.8
166.99872	8.0
169.01425	68.6
170.01828	2.4
173.02345	2.2
173.04527	6.7
175.04007	3.3
177.01978	3.1
178.99831	3.2
179.03520	2.4
179.05405	1.6
181.01416	4.8
185.02371	2.3
187.03983	2.6
187.07687	8.8
189.01968	3.9
191.01988	16.1
191.05611	100.0
192.05998	2.9
201.01875	4.5
203.03499	5.3
205.07173	5.0
209.03040	50.6
213.09167	3.1
215.07112	3.8
215.19276	1.6
217.01430	3.5
221.00810	2.1
229.01385	6.2
231.03000	1.8
231.10211	6.2
232.03107	1.6
245.00874	1.8
247.02351	2.4
248.02637	1.7
249.04012	2.0
250.85094	1.4
255.02802	1.8
257.00967	4.3
257.03400	2.4
257.08240	7.0
261.00342	2.8
265.09360	2.1
273.00293	3.6
273.03009	3.0
274.03317	1.8
275.01773	9.8
275.09174	5.1
276.02371	2.7
283.99689	3.0
284.02774	2.0
285.00247	3.8
298.98456	1.8
300.99884	41.7
301.03055	3.1
302.00180	7.0
302.03290	3.5
303.00470	2.1
303.03732	6.0
304.03992	6.9
305.04523	3.9
307.02493	2.2
313.05588	4.6
321.19101	3.0
331.06686	2.2
357.05869	2.3
358.11768	1.6
382.02383	2.8
391.03149	3.9
392.03702	6.6
407.18948	7.5
423.12894	3.3
425.01505	2.3
434.99835	2.5
449.14331	4.4
450.99414	10.8
451.99747	2.7
452.99634	2.7
466.52859	13.0
467.03070	5.5
467.10410	12.0
467.16260	9.4
467.31802	1.8
467.53189	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	467.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11716	0.3
57.03442	0.6
57.51070	0.3
59.01379	2.3
63.65229	0.5
64.86844	0.3
65.00336	0.6
67.01887	1.1
67.15582	0.3
68.99782	0.3
69.03445	0.7
69.27966	1.5
69.28394	1.4
71.01385	3.4
71.90239	0.3
72.99309	0.7
73.02971	0.3
73.95207	0.3
75.00867	0.8
79.01907	0.7
81.03483	0.7
83.01387	0.8
85.02944	2.4
89.02451	0.9
95.01372	1.7
97.02959	1.2
98.31924	0.4
99.00876	1.4
100.67395	0.3
101.02419	0.9
102.18035	0.3
106.00636	0.4
107.01392	7.2
110.00078	0.5
111.00887	3.1
113.02450	0.8
123.00880	10.0
124.01686	1.2
125.02444	51.6
126.02795	1.5
127.00341	0.7
129.01918	2.2
136.98843	1.7
139.00365	4.5
139.03949	0.4
140.01152	3.9
141.01947	1.3
151.00372	6.1
152.00694	0.4
153.01993	0.4
154.99899	0.4
164.01231	0.3
168.00635	3.1
169.01418	80.8
170.01775	2.0
177.04100	2.0
195.96597	0.4
211.02353	0.4
320.95135	0.4
329.05081	9.3
330.05576	0.5
337.89954	0.4
391.02582	0.5
406.10117	0.3
467.19193	100.0
468.19489	10.0
493.03964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.119
Annotation	Leucodelphinidin 3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.86845	1.0
58.69713	1.1
59.01387	2.7
60.52021	1.0
68.99805	2.5
69.03469	1.7
69.27480	7.6
69.27883	2.0
71.01379	2.8
72.99295	1.8
73.02934	1.5
77.14880	1.0
83.01366	1.9
85.02954	8.9
85.20318	1.0
87.00877	3.2
93.03456	3.1
95.01350	1.1
99.00864	3.4
101.02496	1.3
111.00891	2.7
113.02421	3.4
113.99584	12.1
115.00422	5.7
115.01111	1.3
115.03896	1.1
118.97497	1.2
123.00845	1.2
125.02395	1.2
127.00394	2.1
129.01933	1.9
136.06110	1.1
147.04521	24.8
157.01376	2.4
161.02390	1.9
162.08963	1.1
167.62418	1.3
169.01357	1.5
173.04570	2.0
174.01689	11.6
175.02254	1.2
191.01901	1.7
191.05583	5.4
200.72295	1.1
231.10202	1.5
282.47998	1.1
300.99933	4.0
302.00226	2.2
344.24677	1.2
383.90518	1.3
407.09796	13.0
466.52954	3.9
467.11847	100.0
468.12164	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	465.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45317	0.3
57.03443	0.5
59.01377	4.3
61.98833	2.1
65.03941	0.4
69.03440	0.5
69.43880	1.7
69.44296	0.9
71.01376	1.5
75.00870	0.5
78.95902	1.0
85.02924	0.6
93.03456	61.3
94.03802	1.4
98.19845	0.4
101.02469	0.5
106.06650	1.7
113.02426	0.5
119.03558	0.5
119.05029	2.1
122.14148	0.3
123.00820	0.6
125.02448	1.7
130.69901	0.4
137.02443	100.0
138.02782	3.3
145.02998	1.0
149.02409	0.8
151.00354	0.4
152.03563	0.5
161.02505	0.7
163.03996	2.5
166.02724	0.6
167.05862	1.0
167.14407	0.6
169.01360	0.7
175.03989	0.8
183.10240	2.0
199.03941	0.6
211.13474	0.5
214.72946	0.3
217.05045	0.7
229.14531	0.8
230.11823	1.0
241.05092	1.2
241.81160	0.3
255.11324	0.8
257.08072	0.5
275.02017	0.4
285.04221	1.8
299.10403	0.5
300.99942	0.6
302.03491	0.6
317.11386	2.8
340.53427	0.4
447.01154	0.4
465.09778	0.6
465.17465	2.4
465.28149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.1
59.01380	100.0
60.01712	9.8
61.98830	63.4
65.00332	1.0
68.30843	0.9
69.90922	0.9
71.01382	10.4
72.01692	1.6
72.99295	1.0
85.02928	2.8
89.02438	15.2
90.02771	1.7
95.01382	3.1
96.96010	22.7
97.02917	1.0
98.19848	1.8
101.02440	5.8
107.01370	1.1
109.02940	2.0
111.00880	2.8
113.02451	5.4
119.03478	6.5
120.03902	1.7
123.00871	4.3
125.02460	11.2
127.07618	0.9
127.80465	0.8
131.03430	1.2
133.02827	1.2
137.02441	1.6
139.00388	4.3
141.01944	1.3
145.02969	1.5
147.04613	1.1
149.02383	1.6
149.09727	3.3
150.02783	1.4
150.10069	2.4
151.00331	1.2
152.01114	1.9
153.01898	3.4
153.09227	1.4
161.02414	2.1
161.04535	2.5
162.04849	1.9
163.03984	1.8
166.02646	1.3
166.99834	3.3
167.03323	0.9
167.10756	6.6
168.11107	6.4
169.01430	10.1
173.02415	1.7
175.03915	2.3
176.01143	1.5
176.04362	1.0
177.04205	0.9
178.99774	1.2
179.05618	4.6
180.05902	2.0
181.01399	2.6
185.02464	1.8
187.00420	1.2
189.01913	1.6
191.03378	1.8
199.03893	2.0
200.04309	1.5
201.01938	3.0
202.02478	1.3
203.03436	2.4
217.01442	1.6
217.04910	1.4
218.05359	1.4
225.11353	5.2
225.14838	1.0
229.01436	5.3
230.01935	1.1
231.03003	2.4
242.05315	2.8
244.16205	1.1
245.00864	2.0
247.02463	1.5
249.04070	2.0
257.00870	3.4
258.01648	1.0
259.02344	1.1
273.00381	2.5
274.00906	2.8
275.01996	9.3
285.00647	1.8
285.03983	3.3
286.04370	5.9
298.98206	1.2
299.99011	2.6
300.99872	34.8
302.00217	3.5
304.05368	0.9
305.07019	14.7
315.07260	2.3
323.01514	1.0
376.02722	2.1
381.01794	1.3
382.02649	1.3
390.02353	2.2
391.03064	10.7
406.21533	9.6
423.09421	0.9
425.01569	1.1
450.99530	2.5
466.02728	8.1
466.09677	1.5
466.52863	2.9
467.03094	1.9
467.12823	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	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74678	1.1
54.12543	1.2
59.01107	1.4
59.01382	16.7
60.01705	1.5
61.98830	100.0
63.64499	1.0
66.30916	1.2
69.30733	3.5
69.31153	6.4
70.94583	1.1
71.01379	2.2
85.02917	1.8
86.98841	1.1
93.03458	2.2
101.02415	2.0
109.92565	1.1
123.00876	1.3
125.02402	1.4
128.68471	1.2
135.26338	1.2
137.02449	3.1
145.02925	3.2
151.19804	1.1
161.02504	2.4
161.04408	1.9
165.12827	3.7
183.13919	2.7
205.64925	1.0
285.04178	1.4
300.99823	2.4
403.19919	8.8
466.52597	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	465.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42559	0.6
59.01381	3.9
60.04052	0.6
60.37185	0.7
60.83126	0.7
61.86003	0.7
61.98819	1.7
64.14047	0.7
69.50446	1.0
69.50854	4.5
71.01366	1.2
83.01385	1.1
89.02448	0.9
89.03951	1.1
92.81785	0.6
93.03458	2.9
95.04997	2.0
98.19897	1.4
108.02170	10.7
109.02952	17.4
117.03483	1.3
119.04995	2.4
119.05816	0.9
121.02939	1.4
123.04534	17.4
125.02422	2.9
132.02161	1.0
133.02931	2.7
134.03679	1.1
135.02983	0.9
137.02425	3.6
145.02942	3.0
147.04489	2.9
147.27020	0.8
149.02409	2.1
150.03249	0.9
151.03996	7.7
153.01881	0.9
159.04466	1.3
160.01672	4.4
161.02411	2.7
161.06137	1.0
162.03223	1.4
163.03952	2.4
173.02486	1.1
175.04082	4.5
176.01083	1.2
177.01926	23.2
178.02220	1.1
179.03581	0.9
183.13896	1.1
185.06146	0.8
187.03987	2.8
189.01930	44.1
190.02707	11.7
191.03465	9.5
203.03511	4.8
203.07104	1.6
216.00636	7.8
217.01411	30.3
218.02133	3.7
219.02927	13.6
227.07028	1.3
229.08708	1.3
231.02950	9.3
232.03592	1.7
233.04341	1.1
241.05145	1.2
243.02930	1.2
259.05917	1.2
271.06073	5.2
281.04495	5.1
285.04041	2.9
289.07135	4.9
297.07458	3.4
301.03473	2.0
301.07178	1.9
313.07245	1.7
323.05692	1.0
341.06650	100.0
342.06955	7.6
347.15976	0.9
355.08188	6.9
356.08429	1.1
465.11902	35.9
465.17636	2.1
465.26993	2.6
466.12085	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	465.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02856	0.3
57.03445	0.4
59.01382	3.1
61.98819	1.3
65.03954	0.4
67.64683	0.3
69.27346	2.3
69.27756	0.6
71.01379	1.0
72.99269	0.3
73.28822	0.3
75.00851	0.3
76.78014	0.3
85.02963	0.3
89.02437	0.5
92.88744	0.3
93.03458	62.0
94.03793	1.4
99.00885	0.3
101.02448	0.4
106.06638	0.3
119.05015	0.8
125.02415	1.2
133.03036	0.3
137.02443	100.0
138.02783	2.5
139.00351	0.4
139.11296	0.5
145.02950	0.7
149.02472	0.5
150.51758	0.3
152.03532	0.4
155.05159	0.2
161.02434	0.5
163.03941	0.6
165.01933	0.3
167.05824	0.4
167.14397	0.6
169.01407	0.6
175.03812	0.3
183.10289	1.9
186.12772	0.3
197.05968	0.3
199.03989	0.5
211.13429	0.9
217.04951	0.5
229.14383	1.6
241.05075	0.6
285.04068	2.0
286.04379	0.4
301.03436	0.3
302.62985	0.3
316.07645	0.4
317.11386	1.2
329.09290	0.3
347.17108	0.5
359.87265	0.3
362.08820	0.3
465.09729	0.8
465.17709	2.4
465.23865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1037
Annotation	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
50.23895	0.8
57.03445	5.7
59.01377	20.3
65.00317	1.0
69.93548	3.1
71.01369	7.3
81.03453	3.8
83.01378	2.3
85.02940	2.0
87.00869	1.1
89.02440	8.1
93.03458	1.3
95.01382	1.6
95.05015	1.7
96.96017	0.8
97.02935	2.1
99.04510	4.8
101.02448	4.3
105.03471	1.9
107.01380	1.4
108.02126	1.1
109.02947	17.8
111.00888	1.1
113.02448	3.3
119.03484	3.2
121.02947	6.9
123.00873	2.7
123.04499	2.2
123.08128	2.5
124.01681	1.1
125.02442	37.2
133.02942	1.4
137.02446	24.2
138.03241	8.3
139.03981	1.6
143.05020	1.4
145.02937	1.0
147.04561	1.0
148.01662	1.3
149.02434	38.1
150.02815	0.8
151.04056	1.5
155.05040	1.2
161.02403	5.0
163.00330	2.2
163.03920	1.0
163.11214	0.8
164.01143	8.1
165.01917	14.6
166.02707	41.3
167.03494	25.8
167.04941	1.3
167.07143	2.7
171.04451	2.0
173.02409	1.6
174.03212	3.2
175.04001	20.8
176.01144	6.1
177.01874	3.1
179.03389	0.9
179.05652	1.5
185.02533	0.8
185.06064	1.9
187.04007	1.7
189.05544	1.1
191.03488	1.7
192.00638	6.9
193.01358	9.0
197.06023	2.3
198.03232	3.7
199.03989	21.0
200.04359	1.2
201.01917	4.4
207.10181	1.8
209.04539	1.2
211.03987	1.0
213.05559	3.7
215.03468	2.6
216.04163	1.7
217.05052	17.5
218.05469	1.0
219.02910	1.4
223.04013	1.4
226.02756	1.6
229.01447	1.2
231.02908	0.8
241.05046	39.3
241.14474	1.0
242.02135	2.2
242.05376	2.6
243.02972	8.8
248.90450	0.9
254.88255	0.8
257.04559	2.5
267.02982	0.8
275.01901	0.9
276.38998	0.7
284.02820	0.8
285.04028	100.0
285.13336	9.6
286.04385	7.4
300.99756	4.6
303.05032	18.1
304.05338	1.0
329.08749	48.4
330.09073	2.7
339.07104	7.4
355.06631	6.1
390.02203	1.3
405.21246	2.2
421.11404	0.9
465.10333	15.5
465.19772	10.8
466.02890	2.4
466.10703	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	465.1042
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
50.87561	0.8
51.02381	0.7
59.01377	4.9
60.21321	0.6
61.98817	1.8
67.01889	1.4
69.03435	1.2
71.01389	7.6
71.15939	0.6
73.02943	1.1
79.01894	1.6
81.03448	1.1
83.01382	2.1
85.02960	2.4
87.00873	1.1
89.02441	1.3
91.01898	2.1
93.03437	5.4
95.01414	1.7
97.02952	1.3
99.00919	1.2
100.58815	0.7
101.02438	2.2
102.29097	0.6
103.82446	0.7
107.01384	12.7
108.01675	0.6
109.02957	0.9
111.00896	3.2
113.02465	1.6
119.03539	0.9
119.51476	0.8
121.02973	5.3
123.00886	12.9
124.01662	1.6
125.02444	74.2
125.09684	1.0
126.02797	1.8
133.02956	1.9
136.98820	1.1
137.02454	10.8
137.99419	0.7
139.00362	6.2
139.03983	1.6
140.01170	2.7
141.01891	1.2
145.02971	1.1
150.03166	0.8
151.00357	10.2
151.04001	24.8
152.04333	1.0
153.01952	2.2
159.04561	0.7
160.01511	0.8
161.02437	3.4
161.04507	0.9
162.02838	1.0
164.98300	0.8
165.01884	1.0
167.03493	2.4
168.00603	2.9
169.01413	88.7
170.01747	2.3
173.02426	1.4
175.03992	1.5
178.99922	0.9
179.03474	0.7
181.01469	1.1
183.02954	3.1
187.09721	0.7
189.01985	1.4
191.03523	0.9
197.86765	0.7
201.01904	1.7
211.02428	1.7
217.01407	1.3
229.01384	0.7
241.03525	2.8
245.00891	0.8
247.02437	1.2
253.03641	0.9
255.02779	1.2
271.02411	1.8
272.02777	1.5
273.00354	1.4
273.03195	2.5
275.02130	1.0
285.03992	2.6
300.02768	2.2
300.99829	3.5
301.03323	3.9
302.03491	5.5
303.04056	4.4
313.05630	45.9
314.05887	2.6
327.07248	1.6
429.02893	0.9
433.07596	0.9
447.02411	0.9
447.08133	3.4
450.99341	1.1
465.10330	100.0
465.27179	1.9
465.51993	0.6
466.03391	1.5
466.10648	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	464.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
61.98829	100.0
62.60732	0.4
69.23161	0.6
69.23492	4.4
71.01402	1.0
75.18787	0.4
78.07647	0.4
89.02434	1.0
91.61511	0.5
96.95985	0.9
109.02943	0.9
123.00878	0.5
125.02427	3.2
139.04030	0.8
140.96504	0.5
153.01941	1.5
168.62332	0.6
169.01421	2.7
177.04124	0.5
191.05661	1.3
214.71086	0.5
241.04970	0.9
285.04025	1.2
296.31601	0.5
299.99100	3.4
300.99582	8.0
302.00186	4.9
313.05688	0.6
421.11566	1.5
464.05341	7.8
465.05594	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	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.4
59.79985	1.1
61.90839	1.2
61.96773	1.0
61.98833	100.0
69.59180	6.2
69.59592	2.6
71.01366	2.3
77.00000	1.0
101.02520	1.2
124.70510	1.1
127.00247	1.3
150.02696	1.1
157.24232	1.3
198.18819	1.5
208.00197	1.2
211.20059	1.2
315.18149	2.2
320.55582	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	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18461	0.6
58.39669	0.6
59.01376	16.5
61.98828	100.0
71.01388	2.7
71.29827	0.8
71.30168	1.5
72.99290	0.6
73.02940	0.7
76.47567	0.6
76.50610	0.6
78.95914	1.9
101.02451	1.3
104.97802	0.6
105.00371	0.6
113.02483	0.8
134.16492	0.8
162.11957	0.6
167.33945	0.6
174.63495	0.6
177.09259	0.6
252.01254	0.7
272.02869	1.3
299.04300	0.7
301.03149	2.7
315.18234	1.6
357.19415	0.9
424.68195	0.7
464.09180	2.5
468.20743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1036
Annotation	(2S,3S)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
51.32255	0.8
57.03451	4.2
59.01378	9.9
70.04916	3.9
71.01381	3.5
81.03454	2.0
83.01404	1.4
85.02959	2.1
89.02452	5.4
95.05010	1.0
95.35590	0.9
98.19998	1.6
101.02441	2.0
109.02943	4.4
109.67977	1.2
113.02431	1.0
119.03494	1.4
121.02912	2.3
123.04550	1.0
125.02441	28.9
137.02428	9.5
138.03201	4.1
138.25778	0.9
143.04990	1.1
148.01649	1.5
149.02435	19.7
155.05069	1.8
157.57019	1.1
161.02405	5.9
163.00397	1.5
164.01134	3.9
165.01932	4.6
166.02707	19.3
167.03516	8.3
171.04515	3.0
174.03217	2.6
174.29625	0.9
175.03989	23.6
176.01157	6.4
176.04301	1.6
177.01854	3.8
179.05574	1.7
185.06116	1.0
189.51897	0.9
191.03482	1.1
192.00659	3.3
193.01381	2.5
197.06006	2.3
198.03195	6.1
199.03996	26.8
201.01923	3.1
206.02216	1.1
211.03960	2.1
213.05481	5.0
215.03398	1.8
217.05042	22.0
218.05396	1.2
223.03940	1.7
226.02629	1.2
241.05060	49.1
242.02180	2.9
242.05302	2.4
243.02936	9.1
257.04535	2.1
267.02927	1.1
285.04041	100.0
286.04459	4.6
303.05078	1.2
329.08752	16.3
330.09213	1.3
339.07254	7.7
355.06638	3.8
465.10388	20.8
466.10773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19410	0.5
55.01895	0.6
57.03440	0.6
59.01382	6.0
69.03499	0.6
69.18163	5.0
71.01378	5.3
73.02959	2.5
78.89101	0.5
83.01392	1.2
85.02949	2.2
89.02446	1.6
91.03996	1.4
99.00883	0.9
101.02431	5.4
113.02459	2.1
119.03488	0.9
121.02973	0.6
136.61510	0.5
136.86513	0.5
161.04518	1.7
165.12851	9.0
178.99933	0.6
183.13896	100.0
184.14246	5.2
209.11804	1.8
227.12898	10.1
243.02948	0.7
253.09312	3.4
255.03000	1.8
271.02463	2.2
300.02658	4.3
301.03473	1.9
345.15424	0.6
463.08994	2.7
463.21826	57.0
464.22208	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	463.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57771	0.6
59.01150	0.6
59.01385	6.3
60.98907	0.6
69.16570	6.7
71.01372	3.6
73.02950	1.3
75.32422	0.6
85.02956	1.1
89.02435	4.1
95.01375	1.2
98.19867	1.4
101.02422	3.6
107.01372	1.0
111.08136	1.0
113.02435	1.6
119.03488	0.8
123.00909	1.3
125.02473	1.3
135.03001	1.1
151.00363	1.4
165.12842	9.5
166.13263	0.7
169.01469	1.0
183.13893	100.0
184.14221	5.7
209.11826	1.0
227.12877	13.1
235.08286	1.1
243.02960	1.6
253.09262	5.0
255.02956	2.5
271.02472	6.3
300.02707	9.5
301.00269	1.0
301.03479	4.6
354.80490	0.7
445.20505	0.7
463.08270	6.2
463.21844	61.0
464.08792	0.7
464.22287	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
57.48756	0.5
58.46497	0.5
59.01379	100.0
60.01717	1.0
61.98832	2.2
69.75280	2.9
71.01385	6.7
73.02963	1.8
73.60881	0.5
75.86804	0.5
78.46228	0.6
83.05026	8.1
83.05481	0.6
85.02964	2.1
87.00889	1.1
89.02448	6.0
93.03465	5.8
97.02982	0.7
101.02448	4.2
109.02961	3.2
113.02458	3.7
119.03522	3.4
119.61765	0.6
121.02940	3.7
123.08174	1.7
123.43562	0.5
125.02461	1.2
131.03442	0.8
135.02982	0.6
139.04143	0.5
143.03476	0.8
149.02495	0.5
151.00424	0.6
151.07701	0.8
151.92841	0.6
153.01921	4.3
161.02455	0.6
161.04535	4.5
163.04059	0.8
165.01938	1.5
167.10736	3.3
169.01407	0.6
175.02516	0.7
179.05627	4.3
187.11276	0.6
191.03517	0.8
198.03366	0.6
205.12469	0.7
213.05966	1.0
215.03560	2.1
220.44196	0.5
222.12361	0.5
223.13437	1.6
233.04590	0.6
241.14497	1.9
271.02390	0.9
297.06088	3.8
299.99185	7.1
300.02676	1.7
300.99844	5.1
301.03174	0.9
329.15955	0.6
403.19614	3.7
463.04672	2.5
463.10214	4.2
463.22015	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29037	0.4
55.01888	0.8
55.64184	0.4
57.03445	0.6
59.01380	9.0
61.98826	1.3
69.03490	0.6
71.01385	6.3
71.67310	0.4
72.99273	0.5
73.02946	1.5
76.41943	0.4
83.01415	0.8
83.82610	0.4
85.02956	2.1
87.00877	0.7
89.02443	5.5
95.01352	0.6
97.06604	0.4
101.02447	6.7
103.49155	0.4
111.04490	0.4
111.08162	0.6
113.02447	3.4
117.73319	0.4
119.03502	1.1
121.77366	0.4
131.34482	0.4
133.02901	0.4
133.05070	0.4
137.02423	0.5
138.01956	4.6
139.02295	0.8
143.03510	0.4
145.02960	0.5
145.24043	0.4
151.00407	0.8
156.35007	0.4
161.02432	1.1
161.04549	2.1
162.02765	0.6
165.12840	7.7
178.99821	0.8
179.05618	0.7
183.13895	100.0
184.14223	4.4
196.75175	0.4
207.39177	0.4
209.11902	2.1
227.03545	0.5
227.09332	0.4
227.12862	10.7
228.13335	0.5
235.08157	1.2
235.34453	0.4
243.03018	1.2
253.09274	8.6
255.03030	1.6
271.02484	4.7
300.02692	6.9
301.03461	4.4
324.07956	1.4
357.09763	1.8
401.08707	0.7
407.54178	0.4
445.20203	0.5
463.08856	5.4
463.21814	64.7
464.22128	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01389	6.1
61.98819	2.0
69.31180	2.7
69.31601	2.8
71.01372	5.0
71.05011	0.7
72.99303	2.7
73.02952	1.9
75.00872	26.3
78.36755	0.7
83.01377	0.8
84.06131	0.7
85.02946	1.2
87.00892	0.9
89.02444	5.5
93.03482	2.3
97.12960	0.7
99.00854	1.8
101.02443	1.6
107.01377	1.3
111.08165	3.1
113.02514	1.0
113.93713	0.7
117.01945	3.6
121.02943	1.1
124.17736	0.7
125.02442	0.9
135.02997	84.5
136.03278	1.7
137.02478	4.2
138.02762	1.0
151.00314	5.1
161.02406	1.1
165.12836	35.0
166.13159	2.0
169.01439	0.9
178.99832	2.7
183.13893	100.0
184.14229	4.6
184.20749	0.6
209.11797	4.0
227.12888	74.5
228.13214	3.0
243.02946	2.2
254.02260	1.0
255.03033	6.3
271.02484	13.1
272.02917	1.2
300.02731	18.6
301.00177	1.0
301.03494	17.6
301.16608	0.8
302.03735	1.0
327.14566	4.0
328.68350	0.7
345.15527	43.1
346.15860	3.4
445.07785	3.6
463.08713	12.2
463.18155	36.2
463.25385	10.2
464.09167	1.3
464.18784	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
57.48756	0.5
58.46497	0.5
59.01379	100.0
60.01717	1.0
61.98832	2.2
69.75280	2.9
71.01385	6.7
73.02963	1.8
73.60881	0.5
75.86804	0.5
78.46228	0.6
83.05026	8.1
83.05481	0.6
85.02964	2.1
87.00889	1.1
89.02448	6.0
93.03465	5.8
97.02982	0.7
101.02448	4.2
109.02961	3.2
113.02458	3.7
119.03522	3.4
119.61765	0.6
121.02940	3.7
123.08174	1.7
123.43562	0.5
125.02461	1.2
131.03442	0.8
135.02982	0.6
139.04143	0.5
143.03476	0.8
149.02495	0.5
151.00424	0.6
151.07701	0.8
151.92841	0.6
153.01921	4.3
161.02455	0.6
161.04535	4.5
163.04059	0.8
165.01938	1.5
167.10736	3.3
169.01407	0.6
175.02516	0.7
179.05627	4.3
187.11276	0.6
191.03517	0.8
198.03366	0.6
205.12469	0.7
213.05966	1.0
215.03560	2.1
220.44196	0.5
222.12361	0.5
223.13437	1.6
233.04590	0.6
241.14497	1.9
271.02390	0.9
297.06088	3.8
299.99185	7.1
300.02676	1.7
300.99844	5.1
301.03174	0.9
329.15955	0.6
403.19614	3.7
463.04672	2.5
463.10214	4.2
463.22015	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	463.1094
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
59.01379	1.2
62.36877	0.5
64.01637	0.6
69.03446	0.7
71.01405	0.8
71.11562	0.5
79.01922	0.8
95.01368	0.7
102.04726	0.6
107.01365	0.7
123.00891	8.1
124.00761	0.8
124.01667	24.2
125.02449	24.6
134.24283	0.7
149.99585	39.9
151.00255	1.4
167.03488	1.4
168.00639	100.0
169.01350	4.6
169.96449	0.6
175.02557	1.1
179.03473	0.9
287.07617	0.8
298.00153	0.7
331.06778	4.0
445.09772	0.9
463.10904	99.8
464.11206	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	463.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25846	0.5
57.03474	0.6
59.01379	2.9
61.47615	0.3
61.98820	0.4
69.03497	0.5
69.28304	2.6
69.28713	1.1
71.01382	2.0
72.99345	1.2
73.02942	0.7
75.00870	13.6
89.02434	3.0
91.04276	0.4
95.01409	0.8
99.00874	0.6
111.08137	1.9
117.01934	2.5
123.00909	1.2
124.55607	0.4
135.02992	49.3
136.03362	0.8
141.77983	0.4
151.00345	0.5
165.12839	30.2
166.13187	1.5
183.13892	100.0
184.14215	4.7
209.11852	2.8
227.12872	60.1
228.13171	3.3
253.09052	0.5
255.02940	0.6
259.06052	0.5
271.02435	1.5
300.02777	2.4
301.03348	1.3
319.27905	0.4
327.14322	1.4
331.02133	0.4
345.15503	36.0
346.15915	3.2
387.16528	0.7
463.17947	42.8
464.18347	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	463.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53065	0.9
55.01877	3.0
57.03450	2.5
58.00595	2.8
59.01380	66.7
60.89751	0.9
61.98825	1.8
71.01382	55.3
71.05024	1.9
72.99302	3.7
73.02938	10.8
74.19577	1.0
75.00883	6.0
83.01398	6.0
85.02950	17.9
87.00873	2.6
89.02444	32.6
93.03470	1.1
95.01421	4.9
95.01907	1.3
97.02914	1.4
98.20737	2.4
99.00891	6.2
101.01790	2.2
101.02441	33.4
103.09137	0.9
103.63140	1.0
111.00850	1.4
113.02451	18.6
117.01945	2.3
119.03513	12.0
121.10235	12.8
125.02418	3.9
129.01915	1.2
131.03474	2.0
133.02904	2.5
135.03004	5.1
135.04558	2.5
139.00366	1.2
139.04027	11.8
143.03520	1.6
149.06067	1.4
151.00450	1.1
159.03024	2.0
161.02487	6.9
161.04538	10.8
165.09189	2.1
167.10770	3.8
169.01425	3.8
177.03806	1.4
179.03452	1.9
179.05562	4.9
183.10237	1.1
209.11873	1.0
217.19928	1.2
221.24544	1.1
255.03012	2.1
271.02515	2.2
299.99173	3.7
300.02798	3.5
300.99823	4.6
301.03363	2.8
301.16553	1.5
323.07645	2.0
345.11829	2.5
345.15518	66.0
346.16037	5.5
463.13049	4.8
463.18167	100.0
464.18414	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	463.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82798	0.3
57.03479	1.1
59.01376	4.2
69.03497	0.3
69.25269	2.1
69.25677	0.6
71.01381	2.3
72.99340	1.2
73.02988	0.7
75.00871	13.4
77.67310	0.3
85.02936	0.4
89.02447	4.1
91.63623	0.2
94.92397	0.3
95.01375	1.3
97.06622	0.3
99.00916	1.1
100.01834	0.2
101.02485	0.8
104.08486	0.2
111.08152	2.0
113.02467	0.5
117.01938	2.0
122.70680	0.3
123.00874	1.7
130.79898	0.3
135.02997	42.9
136.03365	0.8
151.00388	1.4
159.32536	0.3
163.11250	0.4
165.12846	30.1
166.13199	1.7
166.99901	0.4
168.00716	0.4
181.12283	0.6
183.13892	100.0
184.14238	4.4
191.10715	0.4
209.11861	2.9
227.12874	55.3
228.13174	3.0
243.02925	0.4
253.09326	1.6
254.02327	0.3
255.02869	0.8
258.05261	0.6
259.05920	0.6
271.02469	2.2
299.99429	0.4
300.02737	3.6
300.99908	0.5
301.03333	1.9
327.14532	1.4
345.15509	30.1
346.15939	2.4
387.16272	0.5
463.08405	1.5
463.17673	33.4
464.18118	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.73448	0.5
59.01380	2.2
61.98823	0.9
63.02395	2.9
65.00317	6.2
69.50410	1.1
69.50820	1.6
71.01397	0.9
75.54594	0.4
83.01366	4.0
85.02951	0.5
89.02425	0.6
93.03457	2.3
99.00897	0.4
101.02424	0.9
107.01380	12.3
109.02946	1.2
113.02459	0.4
121.02946	9.9
123.00889	0.5
124.01738	0.6
125.02431	0.5
133.03044	0.4
133.06592	0.9
135.04504	0.5
137.02449	1.7
138.02769	0.5
139.04028	0.5
145.02916	0.5
149.02432	1.1
151.00362	51.0
152.00758	1.2
159.04507	0.5
160.01657	0.5
161.02437	1.4
161.04561	0.7
163.00372	1.5
163.03966	0.9
164.01132	1.3
165.01924	0.7
169.01434	1.3
178.99846	23.5
180.00233	0.6
183.10245	0.7
187.04033	0.5
191.05534	0.4
193.01395	1.1
199.04005	0.4
201.05437	0.4
211.03996	0.6
227.03442	1.3
229.05032	1.2
232.58264	0.5
243.03006	2.2
243.05025	0.4
245.04532	1.5
254.02046	0.6
255.02989	4.1
256.03577	0.4
257.04630	0.9
271.02478	9.3
272.02972	1.2
273.03989	2.9
283.02307	0.7
299.01877	0.5
299.99997	0.2
300.02731	14.0
301.03497	100.0
302.03848	6.5
427.16223	1.8
445.07632	3.8
463.08734	32.5
463.26340	3.0
464.08954	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	463.0882
Annotation	Robinetin 7-glucoside
Peak:m/z	Relative Intensity
50.49855	2.1
59.01370	18.0
61.98815	10.1
62.58430	2.0
63.37115	2.5
65.00309	3.0
68.86761	2.4
71.01371	8.0
75.00867	9.7
80.25790	2.0
83.01411	2.7
84.62314	2.1
85.02945	3.9
87.00864	2.5
89.02450	4.3
93.03448	4.3
94.32491	2.1
97.38219	2.0
101.02444	6.4
103.05471	2.0
107.01398	2.5
109.02935	9.9
117.03439	2.7
119.01374	2.1
119.05025	2.6
121.02937	6.4
121.06606	2.5
121.60287	2.1
124.01656	2.3
125.02454	6.4
135.03000	23.1
137.02415	24.9
142.84393	2.2
144.88118	1.9
145.02916	5.4
151.00375	20.0
153.01945	4.0
153.09172	3.5
161.02470	4.0
163.00380	5.0
163.03986	3.5
164.01093	3.6
165.01965	15.1
165.12849	12.2
165.14017	2.1
169.01390	8.7
176.01141	2.7
177.01920	18.8
178.99834	12.7
179.03369	5.7
183.13882	52.6
190.02655	3.3
191.03494	2.8
199.03990	2.4
202.99883	4.2
203.03502	4.7
208.00102	8.7
209.00856	18.4
209.11697	2.8
211.04042	4.5
217.01416	3.0
221.00896	13.3
226.02750	3.5
227.03377	6.4
227.11002	3.2
227.12889	30.2
237.49226	2.3
240.04137	5.0
242.02147	9.8
243.02969	15.2
245.00990	2.2
246.98857	21.8
254.05734	4.4
255.03026	24.4
255.10179	2.3
269.08105	5.0
270.05261	4.3
271.02469	62.2
271.05832	6.8
271.09491	3.3
272.03024	5.7
273.03741	3.1
282.05280	3.5
284.03458	2.7
297.07645	6.1
299.09186	4.6
299.99121	5.6
300.02698	100.0
300.99802	5.4
301.03464	63.9
301.06915	2.6
302.03806	2.7
313.03464	4.2
318.11993	2.3
325.07254	5.4
328.05774	8.5
329.10294	8.0
331.11798	10.1
343.08130	7.7
345.15573	13.9
357.09778	86.4
358.10098	7.9
375.10760	7.2
401.08795	30.4
402.09030	3.6
445.07919	12.0
446.08401	2.4
463.08737	72.2
463.17999	9.5
463.25482	7.6
464.09088	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91159	0.3
58.00588	1.1
59.01375	3.2
61.98821	1.5
71.01383	1.8
71.51597	0.3
73.02929	0.6
85.02957	0.4
89.02470	1.7
93.03466	0.6
99.00871	0.4
101.02451	1.6
113.02441	0.4
119.03487	0.6
125.02422	0.5
135.03012	0.4
136.01695	0.5
137.02457	0.8
145.02943	0.9
146.06091	1.2
148.01736	0.4
148.07635	0.7
157.02936	0.4
160.01663	0.6
161.04614	0.5
167.05870	0.4
168.06551	0.3
169.01454	0.6
172.01654	1.1
173.02457	0.4
174.05544	0.5
176.01146	0.4
176.07271	0.3
179.05640	0.3
185.02390	1.3
188.01141	0.7
191.05739	0.6
200.01112	2.0
201.01909	1.1
204.06635	1.1
205.07460	0.6
216.00618	3.0
226.99834	0.7
228.00635	0.5
229.01349	2.6
237.06430	0.4
242.40068	0.3
242.99387	1.9
244.00060	3.4
245.00581	0.4
255.11256	0.4
257.00916	3.9
270.98776	0.6
271.14554	1.2
271.99588	1.0
282.98807	0.7
283.10907	0.5
283.99530	1.6
298.98325	1.1
299.99094	100.0
300.99835	45.8
302.00253	2.7
329.14999	2.1
343.13113	0.7
345.15604	2.6
373.14047	8.0
374.14310	0.6
385.14059	0.9
403.15143	0.8
403.19745	1.2
435.55887	0.4
463.05136	72.4
463.17181	4.3
464.05438	7.4
464.17502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0879
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
59.39936	0.4
61.86685	0.4
62.96305	0.5
63.02391	0.7
64.21745	0.4
65.00303	1.0
70.67808	1.0
72.75937	0.5
101.83336	0.4
107.01392	2.4
108.02165	1.0
109.02936	0.9
113.48900	0.5
117.37027	0.4
121.02962	1.7
135.00835	0.7
148.01657	0.8
151.00374	9.1
163.00397	1.9
167.08011	0.5
169.01268	0.5
178.99857	5.7
201.05409	0.5
211.03941	0.7
216.04175	0.5
226.02719	1.3
227.03471	2.1
230.34155	0.5
243.02930	7.9
244.03384	0.6
245.04604	0.6
254.02229	1.5
255.00264	0.9
255.02950	17.0
256.03329	1.9
271.02454	42.1
272.02917	3.6
273.04102	0.9
283.02383	0.8
299.01968	1.0
300.02722	100.0
301.03458	54.7
302.03815	3.3
349.81500	0.5
463.08777	76.7
464.09061	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	461.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17062	0.3
59.01379	0.8
62.89762	0.3
72.00554	0.3
78.95895	6.9
78.96326	0.5
82.46963	0.4
88.57817	0.3
125.00085	3.6
152.99568	1.2
181.02710	2.5
199.03725	3.5
270.01373	0.4
271.02487	0.4
279.23267	100.0
280.23621	7.6
349.91937	0.3
423.19363	0.4
461.06995	0.5
461.26678	7.0
461.32788	0.7
462.26779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3273
Annotation	Polyporusterone F
Peak:m/z	Relative Intensity
54.57078	1.5
57.65206	1.3
59.01372	10.9
59.66977	1.4
60.99306	3.3
61.98827	2.4
70.39235	4.4
70.39594	1.5
71.01363	2.0
71.05014	2.3
73.02941	2.5
91.37983	1.6
97.06547	1.9
108.84521	1.4
137.09644	1.4
145.28075	1.4
147.26880	1.5
151.03932	1.5
151.77327	1.6
205.15950	8.1
207.10263	2.7
214.02734	1.9
223.16907	1.8
225.11313	2.5
235.17122	2.1
241.01439	6.7
242.02052	1.8
245.00784	3.8
247.16934	1.6
263.89319	1.6
270.01654	6.8
271.02393	4.6
275.20206	3.5
293.21140	8.4
298.01093	5.2
299.01959	5.7
299.14651	1.9
351.26990	3.3
365.28256	3.2
367.30191	7.5
379.30032	1.9
381.27371	2.7
381.31659	37.5
382.32056	3.4
397.31131	10.1
399.32657	100.0
400.33160	9.0
411.29413	1.7
413.30603	4.8
417.33411	1.5
431.31564	5.2
443.31689	64.2
444.32254	7.3
461.07257	13.0
461.21017	3.7
461.28900	14.4
461.33105	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3271
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
54.90097	0.8
55.01862	0.9
57.03448	1.8
59.01367	1.8
71.05019	2.1
81.03451	1.6
82.05851	0.9
122.03707	3.7
123.04521	9.4
125.02463	0.9
135.04523	16.4
136.05333	5.3
137.02399	1.0
148.05229	1.0
148.87138	0.8
149.06116	1.0
175.07549	0.8
199.38383	0.9
209.20831	1.0
213.01561	0.9
230.42200	0.9
241.01427	2.9
243.02776	1.2
245.00867	1.9
270.01566	2.4
271.02466	1.6
293.21069	1.0
298.01184	1.7
299.01901	3.3
333.28098	4.5
371.33093	2.3
375.32504	6.6
389.34052	0.9
399.32849	1.5
417.33734	100.0
418.34134	13.2
443.31821	1.5
461.07489	5.8
461.32895	25.8
462.33231	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	463.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
61.98349	0.6
61.98826	10.7
69.63220	3.4
71.01401	0.8
89.45717	0.6
98.19864	0.8
101.02468	0.7
122.22380	0.6
125.02442	0.8
131.29729	0.6
145.03004	0.6
145.23763	0.6
148.01677	0.6
172.01656	2.2
176.38771	0.6
185.02478	0.9
200.01169	2.4
201.01872	1.7
216.00629	2.7
227.00015	0.7
228.00601	2.2
229.01323	3.1
244.00092	4.3
245.00792	1.2
257.01028	1.2
257.04581	0.9
270.98978	0.9
271.99573	2.2
282.08310	0.7
282.98749	2.1
283.99585	1.9
298.98392	1.2
299.99094	100.0
300.99857	92.7
302.00146	4.7
423.23267	0.7
439.55887	0.7
454.53455	0.6
463.05139	89.7
464.05435	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	461.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60860	1.1
52.36101	1.1
57.03444	5.6
59.01379	25.4
61.40822	1.0
61.98832	8.2
61.99103	1.6
69.03442	3.0
71.01385	21.4
71.04999	3.0
71.53543	1.0
72.99285	1.6
73.02951	8.9
73.81113	1.0
75.00851	1.5
79.33860	1.0
81.04791	0.9
81.11018	0.9
83.01378	4.2
83.05038	1.4
85.02950	12.4
87.00864	1.9
89.02435	3.9
95.01365	2.0
97.02933	1.4
99.00870	3.5
101.02435	19.1
109.02942	1.2
109.06618	1.1
111.08159	8.5
113.02451	8.9
120.76707	1.0
125.02431	2.1
137.02451	2.0
151.00311	1.3
153.02182	1.2
159.02972	1.2
161.04559	9.2
165.12842	91.6
166.13164	4.8
181.12300	1.5
183.13893	76.2
184.14175	4.2
186.03256	1.5
191.10678	2.8
199.50920	1.0
209.11829	9.7
227.12891	8.8
239.16188	1.2
241.01413	2.7
245.00841	1.6
251.11357	13.3
270.01675	3.4
271.02371	1.8
299.01840	2.6
331.33902	1.1
427.31247	1.8
461.07181	4.6
461.23877	100.0
461.35016	3.4
462.08218	1.0
462.24112	8.5
462.29544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71773	1.0
55.01871	2.4
55.88629	1.1
56.53128	0.9
57.03446	7.7
59.01377	20.3
61.98829	5.9
69.03432	2.9
69.19815	2.5
69.20231	8.1
71.01377	20.0
71.04975	1.3
73.02946	8.3
83.01387	3.4
83.05016	1.2
85.02957	11.2
89.02435	4.0
95.01352	1.6
96.66595	1.2
97.06573	2.1
99.00858	3.4
101.02441	17.5
111.08162	11.5
113.02430	7.1
119.03493	1.4
149.48680	1.0
159.02971	1.7
161.04567	6.2
163.11263	1.4
165.12845	100.0
166.13170	4.8
169.46417	1.2
181.12337	2.2
183.13895	68.0
184.14159	3.7
191.10762	3.0
209.11824	9.1
227.12910	8.5
241.01390	1.8
245.00806	1.1
251.11383	10.7
270.01682	2.1
271.02637	1.3
299.01868	3.3
307.19189	11.6
325.12634	1.2
461.23972	98.4
462.24347	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	461.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29090	0.8
57.03447	7.0
59.01383	26.7
61.98838	6.1
69.03444	2.6
71.01006	1.7
71.01379	24.2
71.05041	1.1
71.53397	1.1
72.99302	1.1
73.02943	6.9
75.00874	1.9
75.50426	0.8
78.87368	0.8
81.57321	0.9
83.01378	4.0
83.05010	1.1
85.02953	12.6
87.00855	2.5
87.04521	1.7
89.02448	6.2
95.01385	2.5
97.06619	0.9
99.00879	3.4
101.02447	17.7
109.06612	1.0
111.08170	11.0
113.02470	12.1
115.00360	1.0
119.03522	2.2
131.03432	1.5
131.98302	0.9
149.04469	1.8
159.02974	2.2
161.04565	7.9
163.11223	1.2
165.12843	94.1
166.13142	3.3
175.02475	2.1
181.12332	3.0
183.13898	70.5
184.14232	2.7
191.10674	1.9
209.11842	7.4
227.12860	8.6
241.01376	2.0
242.02013	1.5
245.00836	2.1
251.11374	12.8
270.01630	3.0
271.02393	1.4
298.01187	1.2
299.01917	2.0
399.24753	1.2
416.55820	0.9
417.25934	1.5
461.07098	3.9
461.23868	100.0
461.28833	5.1
462.24158	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51954	1.3
55.01873	2.5
57.03444	1.4
58.00595	4.2
59.01377	95.8
59.72469	1.5
60.01702	1.6
61.98831	9.9
65.65440	1.3
66.67191	1.3
67.77034	1.8
68.99861	1.4
69.03451	6.1
69.33349	12.1
71.01379	82.6
72.99322	3.1
73.02949	20.4
75.00881	3.3
81.03463	2.6
83.01405	4.9
85.02946	12.9
87.00877	3.3
87.04480	1.6
89.02443	100.0
93.20063	1.3
95.01390	3.7
97.02950	12.3
99.00874	26.5
99.04506	1.9
101.02444	42.7
105.62762	1.3
111.00802	1.5
113.02457	13.5
115.04026	5.6
119.03484	4.9
125.02447	40.0
131.03502	15.1
137.02483	2.0
141.70674	1.3
143.03467	5.0
147.11774	1.4
149.04541	30.8
153.01903	1.5
161.04567	12.2
165.12827	6.4
167.10754	21.1
169.01361	1.5
173.51843	1.7
183.13873	5.3
191.05585	13.6
191.10687	1.9
209.11664	2.8
221.06628	1.8
221.11766	1.6
233.06648	28.1
239.12837	1.6
241.01436	3.5
245.00830	1.6
270.01736	3.4
271.02316	1.9
293.08759	25.7
294.09146	2.3
298.01477	1.8
299.01889	2.5
315.18137	5.2
323.01013	1.5
371.25775	1.6
373.24149	1.7
417.26843	1.4
449.43369	1.4
460.35440	7.6
461.11279	2.6
461.24017	15.9
461.29544	1.2
461.35358	3.7
462.24121	1.8
487.74451	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	461.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64061	0.7
53.42586	0.7
55.01874	1.6
57.03445	2.7
58.00599	4.4
59.01379	100.0
60.01712	1.3
61.98833	8.4
69.03460	2.4
69.33530	5.4
69.33937	1.2
70.06581	1.0
71.01380	51.4
72.01742	1.2
72.99305	7.3
73.02946	23.1
75.00871	1.7
81.03488	0.9
83.01379	4.8
83.01808	0.6
85.02948	18.8
86.00108	2.6
87.00877	15.4
87.04527	5.0
89.02445	49.2
90.02798	1.2
93.03461	4.3
95.01398	3.0
97.02969	2.1
98.19936	1.6
99.00888	2.0
101.02442	55.1
103.04010	17.7
109.02986	2.2
113.02445	16.8
115.04004	7.0
119.03500	23.6
123.00864	1.9
124.01665	2.5
125.02454	11.6
127.04031	1.3
129.01971	2.0
131.03502	15.3
133.03011	2.7
135.04530	2.4
137.02452	9.5
143.03499	21.8
144.19606	0.7
145.02985	1.4
145.05089	6.2
147.02979	0.9
149.04558	2.0
149.99620	4.6
153.01996	1.5
161.02451	10.5
161.04507	4.1
163.06122	45.8
164.06587	1.0
165.12837	3.5
166.13188	0.9
167.10733	4.5
168.00629	6.7
169.01357	1.2
177.04094	0.9
179.03540	1.7
179.05640	2.8
183.13861	7.3
183.15099	0.8
184.14287	0.7
203.03557	1.8
205.07166	40.2
206.07579	2.0
209.11829	0.8
227.12903	3.4
241.01521	3.0
242.01988	1.0
245.01028	1.6
247.08217	5.3
255.02977	0.9
270.01828	2.8
271.02521	1.7
273.00391	1.8
299.01883	1.9
301.16507	1.1
307.19315	1.0
323.07776	1.5
329.16327	0.9
373.26294	1.4
417.21628	1.8
429.08426	0.9
443.09689	0.9
461.11215	15.6
461.23727	4.5
461.35144	1.3
462.11774	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	461.2393
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
54.18401	0.6
55.01879	6.1
57.03446	6.7
58.00588	2.2
59.01377	62.0
60.01712	0.5
61.98830	1.0
69.03469	2.9
70.12307	0.5
71.01379	100.0
72.01698	1.4
72.99318	3.0
73.02943	37.4
75.00868	3.0
78.91795	0.6
81.03448	2.1
82.56609	0.5
83.01381	15.3
84.02180	0.8
85.02947	48.8
86.00115	1.0
87.00876	6.4
87.04543	1.3
89.02445	21.2
93.03459	6.5
95.01382	8.3
97.02966	4.6
98.20674	1.2
99.00877	16.0
101.02441	68.9
102.02819	1.1
103.04008	5.6
107.01334	0.7
111.00883	1.8
113.02448	38.5
115.04022	2.4
117.03472	0.7
119.03506	7.3
123.00884	0.5
125.02445	18.1
126.22984	0.5
127.04013	0.9
127.51179	0.6
129.01978	2.1
131.03502	2.2
133.02968	2.0
135.04526	2.1
137.02438	15.5
143.03514	7.8
143.26163	0.7
145.02954	1.1
145.05025	1.8
154.01421	0.8
159.02985	9.4
161.02611	5.1
161.04546	78.8
162.04897	2.2
163.03967	0.6
163.06123	4.4
169.01411	23.3
177.05565	0.6
178.04935	0.7
179.03474	2.3
179.05618	1.2
183.13899	0.7
205.03523	2.4
205.07141	3.1
211.02589	0.7
219.13887	0.8
231.73030	0.8
237.14989	0.7
241.01424	0.8
247.08261	1.9
261.03265	0.7
271.02451	1.1
281.06638	0.6
288.22546	0.5
297.07913	0.8
297.16806	0.7
299.01999	0.6
315.18088	52.1
316.18454	4.3
323.07715	4.4
359.16901	0.8
373.25961	1.0
461.11224	3.0
461.23883	64.2
462.24280	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01380	8.8
59.78104	0.7
61.98822	1.3
71.01385	4.1
73.02943	0.9
74.02415	0.9
75.00857	1.5
79.69458	0.8
81.03455	1.1
85.02930	3.5
89.02431	1.8
91.01869	1.4
93.03465	5.5
95.01354	1.2
97.55297	0.8
99.00841	1.3
101.02422	3.1
107.01282	0.9
108.02172	66.7
109.02958	60.4
110.03251	1.7
111.00886	1.0
113.02412	2.4
117.03461	29.0
119.05038	7.8
121.02927	1.9
122.03705	3.0
123.04486	2.6
125.02392	1.1
132.02121	2.8
133.02968	4.4
134.03705	2.7
135.00862	4.7
135.02977	1.1
135.04521	3.9
137.02483	5.5
145.02953	81.7
146.03275	3.2
151.00380	1.6
151.03926	1.6
152.01147	95.5
153.01933	71.1
154.02242	2.1
160.01674	12.3
161.02438	15.8
161.04501	1.1
163.03989	6.5
174.05209	0.8
175.03989	16.3
179.03487	2.2
193.05064	2.0
195.02884	0.8
200.91910	0.9
213.05397	1.7
241.01338	3.3
242.02187	2.2
245.00926	1.4
266.21252	0.8
270.01678	2.9
271.02399	2.6
285.03970	1.4
298.00800	1.8
298.24072	0.8
299.01941	3.3
301.03659	1.2
307.08289	4.5
315.07184	42.0
316.07413	1.9
323.07635	2.7
337.09247	1.8
343.21094	2.1
387.82678	0.9
417.12335	1.1
461.10764	100.0
461.24207	2.3
462.11075	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	461.1088
Annotation	Parkinsonin A
Peak:m/z	Relative Intensity
59.01373	2.4
68.99796	0.8
69.20023	3.6
69.20453	4.0
71.01377	2.0
74.46460	0.8
81.03447	1.6
85.02942	1.1
93.03463	1.3
95.01366	1.0
105.79234	0.8
108.02172	30.6
109.02952	95.9
110.03311	2.3
117.03460	11.4
119.05022	8.7
121.02910	1.4
123.00878	3.1
124.01480	0.7
125.02435	0.7
135.02924	0.9
137.02426	3.2
145.02945	35.1
152.01146	42.3
153.01938	96.4
154.02298	3.9
161.02388	1.1
161.40079	0.7
163.03993	7.6
297.06372	0.7
307.08154	1.0
315.07199	47.6
316.07529	3.0
407.91397	0.8
431.17871	0.8
461.10913	100.0
462.11285	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	461.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	32.5
59.11994	4.3
69.41534	35.9
71.01379	51.2
73.02931	18.9
75.00878	8.5
83.01381	10.9
84.16331	4.0
85.02948	22.0
89.02433	11.0
95.01375	8.5
99.00861	10.7
101.02428	41.7
103.89131	4.1
105.94650	4.3
109.02914	9.9
111.00881	6.2
113.02449	18.6
125.02417	6.4
135.03009	11.3
137.02519	5.5
161.02428	16.4
161.04568	19.9
162.02785	8.0
169.01396	8.0
177.04012	4.7
207.95576	4.0
222.90648	4.9
247.02477	5.6
255.10229	25.3
269.10361	29.7
300.99792	8.3
315.01608	5.3
343.08212	20.1
401.14490	100.0
402.14709	12.9
461.06998	10.8
461.15982	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	461.1088
Annotation	Isoscoparine
Peak:m/z	Relative Intensity
53.37540	0.6
59.01110	0.8
59.01382	7.9
64.40136	0.6
67.01868	1.6
70.49169	2.1
71.01383	6.2
72.77193	0.7
72.99298	1.2
73.02927	1.0
79.01895	3.1
83.01389	1.1
85.02955	0.9
89.02438	1.1
95.01376	3.7
97.02965	1.6
107.01392	9.0
109.02942	0.8
111.00883	1.0
113.02463	1.6
123.00887	28.3
124.01654	1.1
125.02445	33.5
126.02754	1.0
131.05008	3.2
133.06573	1.8
137.02402	1.1
139.00381	7.8
139.04007	0.8
140.01108	2.0
141.01941	4.0
145.06555	1.2
147.04515	17.5
148.04909	0.8
151.00356	21.0
153.01912	7.1
161.06067	25.3
162.06322	0.9
167.03453	1.3
168.00620	3.2
169.01413	54.0
170.01711	1.9
177.01822	0.9
183.02864	1.1
183.13895	0.8
189.05609	3.8
202.32318	0.6
211.02452	9.0
212.22972	0.6
227.03528	0.9
253.03448	1.8
287.05658	1.3
297.07715	0.8
313.05640	7.7
357.09772	0.9
401.08719	1.3
461.10861	100.0
462.11237	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.109
Annotation	LMPK12110738
Peak:m/z	Relative Intensity
50.34514	0.4
50.45343	0.4
54.21912	0.5
58.00582	0.5
59.01378	18.9
60.01701	0.7
61.98827	2.8
65.83113	0.4
69.03454	4.4
69.66374	0.4
71.01376	7.8
71.05007	0.5
71.80416	0.4
72.99299	0.6
73.02941	3.2
79.01894	1.2
81.03467	1.2
83.01394	2.7
83.05000	0.5
85.02956	4.0
87.00859	1.0
89.02441	10.9
93.03463	0.9
95.01385	2.3
97.02952	3.7
98.20638	1.4
99.00856	3.5
101.02442	6.4
103.04002	1.5
107.01418	2.2
108.02200	0.8
109.02944	1.1
109.06553	0.4
113.02435	4.2
119.03501	2.7
121.02969	1.1
123.00885	10.0
123.04556	0.5
124.00748	1.0
124.01664	21.6
125.02448	56.0
126.02772	1.3
129.42287	0.4
131.03510	1.5
135.04546	0.7
137.02440	4.7
140.30579	0.4
143.03506	1.5
145.02943	0.7
147.04529	5.0
149.02507	0.5
149.04558	3.5
149.99582	37.4
151.00357	3.5
151.03973	0.6
153.01978	0.6
161.02466	1.8
161.04567	1.8
163.06119	3.2
164.04791	1.4
165.01903	0.4
165.12820	0.9
166.13206	0.6
167.10753	1.7
168.00633	65.9
169.01360	5.7
169.64655	0.5
179.03564	0.6
179.05612	0.7
179.07104	0.9
183.13881	1.4
184.14218	1.0
191.05624	1.3
205.07091	2.8
217.01447	0.6
227.03447	0.5
227.12923	0.4
233.06580	0.8
241.01237	0.6
245.00938	1.2
251.07704	0.8
255.02930	1.9
270.01566	0.9
271.02454	0.7
273.00336	1.6
281.06506	0.5
283.02304	0.8
299.02072	0.8
299.05643	0.7
313.05603	1.9
353.02023	0.4
380.79312	0.5
385.09106	1.3
429.07895	1.1
443.09802	3.5
460.35489	1.2
461.10895	100.0
462.11258	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	461.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22832	0.4
52.34933	0.4
57.03438	1.2
59.01382	6.7
59.45280	0.4
63.02394	0.9
65.00337	0.5
68.99789	0.4
71.01386	7.3
72.99297	1.2
73.02934	0.6
75.00867	2.3
82.95953	0.3
83.01390	1.3
85.02948	9.1
87.00871	2.1
89.02446	1.4
91.01876	0.5
93.03457	2.7
95.01386	2.7
99.00876	3.5
101.02436	0.5
103.00364	2.1
107.01418	2.2
109.02968	2.5
111.00829	0.4
113.02447	15.6
115.00359	1.0
117.01930	1.0
117.03461	0.5
119.05036	3.6
121.02967	0.4
122.08534	0.4
129.01930	0.9
133.02870	0.6
135.00847	1.1
135.03044	0.4
135.04503	2.6
136.39561	0.4
137.02425	1.1
143.05017	1.9
145.02933	0.8
145.06563	0.6
151.00378	1.6
153.01881	3.2
155.05116	0.4
156.05971	0.4
157.06602	1.1
159.04503	1.7
161.02388	1.1
163.00340	2.5
163.04016	1.1
164.01117	0.5
165.01851	0.5
167.05048	0.7
169.06564	1.0
171.04552	0.9
175.02489	2.8
179.03473	0.6
183.04550	0.8
184.05270	0.6
185.06078	3.3
187.03992	3.9
189.05540	1.2
195.04601	0.7
196.05249	0.6
197.06087	0.9
197.88065	0.4
199.04005	0.5
201.05562	0.9
202.02609	0.4
211.03984	2.4
212.04547	0.4
213.05568	2.0
214.02750	0.8
215.03485	0.7
227.03474	3.7
229.05045	13.0
230.05443	0.7
239.03514	1.6
240.04369	0.5
241.01372	1.0
241.04984	1.8
242.02130	0.8
245.00804	0.5
255.02971	1.6
256.03577	0.9
257.04541	6.5
258.04910	0.7
267.03036	1.4
270.01660	1.2
271.02451	1.3
281.06705	0.4
284.03128	0.5
285.04031	100.0
286.04388	7.2
297.06143	1.7
298.01227	0.5
299.01932	1.2
330.85449	0.4
461.06213	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56649	0.5
55.31764	0.6
59.01368	0.8
65.25409	0.6
69.24541	5.8
69.24879	1.0
69.68898	0.5
71.01370	1.7
72.37010	0.5
78.51983	0.5
93.03462	52.9
94.03793	1.2
98.65499	0.6
109.02990	0.8
113.02486	0.6
119.05003	0.9
123.04531	1.3
133.02968	9.1
135.04547	5.3
137.02454	100.0
138.02754	3.1
145.02963	1.3
152.01157	0.7
153.02020	1.0
155.95068	0.6
161.02455	26.9
162.02798	1.3
177.05583	0.7
179.03511	3.6
221.04521	1.3
299.07849	2.9
323.07706	27.0
324.08224	2.0
331.59714	0.6
417.91891	0.6
461.10614	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
61.76685	0.3
65.03971	0.5
69.23108	2.5
69.23523	1.3
71.01382	2.0
75.00859	0.6
76.02206	0.3
83.59890	0.4
85.02914	0.4
89.02441	0.5
93.03458	50.2
94.03799	0.9
101.02450	0.5
107.04998	0.4
113.02424	0.5
120.61302	0.4
125.02477	0.4
132.02206	0.4
133.02966	8.7
134.03723	0.5
135.03009	0.9
135.04520	7.4
135.90495	0.3
136.04845	0.5
137.02444	100.0
138.02789	3.0
144.65068	0.4
145.02942	1.0
153.01947	1.4
161.02444	30.4
162.02850	1.1
175.03955	0.5
177.01945	0.4
177.05573	1.5
179.03494	5.8
190.01755	0.4
203.03574	0.6
216.89059	0.4
221.04552	2.6
225.11279	0.7
251.05751	0.6
263.05505	0.6
277.79230	0.3
281.06699	0.7
299.07608	2.0
323.07690	25.3
324.07996	2.0
329.42557	0.4
343.13876	0.7
417.12073	0.8
461.10236	1.0
461.16074	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78576	1.6
57.03445	3.2
58.00602	2.0
59.01376	3.5
60.99289	3.6
61.98859	1.7
67.72295	1.9
69.26948	1.6
70.28185	5.8
77.05711	1.8
92.37611	1.7
199.04504	1.9
205.15990	10.6
228.46582	1.8
269.50198	2.1
321.22208	6.0
337.25473	5.0
349.25195	2.2
355.26303	17.6
360.53400	2.3
363.26770	2.5
365.28421	4.3
377.28467	5.6
379.30078	25.2
380.30444	4.7
389.26868	6.0
395.29343	10.8
397.31107	100.0
398.31479	14.6
415.32324	3.4
429.29880	3.8
433.95389	1.9
441.30081	33.5
442.30396	5.7
459.29379	10.6
459.34814	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	459.3116
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
50.94469	0.8
57.03445	1.2
59.01350	3.3
60.99279	2.2
61.72097	0.7
61.98833	1.6
71.01398	2.0
71.04984	2.7
78.13826	0.7
87.04488	0.9
93.92751	0.8
121.02936	0.8
379.29980	1.9
397.30774	3.4
415.32025	1.1
439.32108	1.2
441.29880	11.1
442.30112	1.5
459.30725	100.0
460.31161	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	459.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.5
58.00595	2.1
58.07059	1.8
59.01384	12.8
60.99308	17.7
61.98824	2.9
68.32411	1.6
71.05032	9.3
71.59905	1.8
83.05022	3.1
85.06562	2.2
88.02744	2.0
97.06559	2.7
98.14674	2.0
98.19907	6.3
121.02910	1.8
123.08123	2.2
125.09693	7.9
137.09752	2.4
141.39212	2.2
147.08281	2.3
165.12871	3.3
187.09682	3.6
190.71747	2.5
197.11855	3.6
205.15971	8.7
215.12860	6.0
289.16391	2.3
293.95636	1.7
306.19711	2.4
321.22171	12.1
335.23798	3.1
337.25125	5.4
349.25177	2.9
355.26410	44.9
356.26819	3.7
365.28415	4.2
373.23499	2.6
377.28366	5.2
379.30084	28.7
380.30075	4.5
387.25388	10.6
395.29526	16.0
397.31088	100.0
398.31613	12.5
399.25269	14.0
400.25946	2.1
401.08774	2.4
415.32666	2.3
429.29968	21.6
430.30228	4.3
439.31982	6.6
441.29938	57.7
442.30310	7.4
443.31186	4.4
459.34180	48.7
460.30881	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	459.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50614	0.1
57.03439	0.5
58.00586	0.4
59.01378	4.0
61.98840	0.2
69.03472	0.2
69.20800	0.4
69.21217	1.1
70.96795	0.1
71.01405	0.7
71.05017	2.0
73.02941	1.4
83.05040	0.5
85.02954	0.2
85.06581	0.5
89.02454	0.5
97.06596	0.6
99.08131	0.2
101.02456	0.4
107.05034	0.2
109.06595	4.1
113.02445	0.4
119.03484	0.2
121.02897	0.3
123.08152	0.2
135.04489	0.2
137.09708	0.2
139.46176	0.1
159.08157	0.1
205.16055	0.2
219.13806	0.2
230.13199	0.2
243.13762	0.2
245.15572	0.2
256.14709	0.4
257.15448	1.2
259.17264	0.3
271.17090	0.2
305.21362	0.2
307.22769	0.3
317.21368	0.2
323.20068	0.4
325.21811	0.2
341.21332	0.3
343.22681	0.2
349.21780	0.3
353.24783	0.3
355.22714	0.3
357.24228	0.3
359.26007	0.4
377.28690	0.2
389.23322	0.2
391.26462	0.3
393.27512	0.4
393.32047	0.2
395.29587	0.5
397.31198	0.3
399.24207	0.2
405.28113	0.3
409.27490	0.5
415.31973	0.8
421.27475	0.5
423.28970	7.8
424.29160	1.0
425.31458	0.9
427.32129	0.6
439.32181	0.7
441.29819	7.7
442.30075	0.9
443.31610	9.7
444.31894	1.3
457.33411	0.4
459.34796	100.0
460.35147	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	461.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56427	0.4
57.03440	1.4
59.01382	8.8
61.98813	0.5
63.02390	1.2
69.03498	0.5
71.01384	7.8
72.99297	1.3
73.02931	0.7
75.00877	3.0
83.01351	0.6
85.02950	9.5
87.00867	2.0
89.02434	1.4
91.01887	0.4
93.03453	3.5
95.01397	2.0
99.00881	4.7
103.00355	1.9
107.01399	2.7
109.02951	3.3
113.02451	12.8
115.00371	1.0
117.01955	1.0
117.03468	0.7
119.05031	3.5
125.02409	0.6
129.01920	0.6
133.54404	0.4
135.00912	1.4
135.04530	2.7
137.02429	1.3
143.05006	1.9
145.02945	1.0
151.00365	2.0
153.01950	3.3
154.04155	0.6
157.06580	1.1
159.04504	1.9
161.02420	1.2
163.00352	2.9
163.04012	1.3
165.01907	0.7
167.05075	0.5
169.01395	0.8
169.06586	1.0
171.04558	0.7
173.06168	0.4
175.02473	2.7
179.03584	0.5
183.04503	0.6
185.06088	3.2
187.03978	4.8
189.05580	1.3
195.04539	0.5
197.06076	0.9
199.04044	1.3
201.05554	0.9
211.03949	2.1
213.05528	2.5
214.02728	0.6
220.65964	0.4
226.02696	0.5
227.03458	3.9
229.05063	12.8
239.03455	1.8
240.04233	0.5
241.01396	1.3
241.05096	1.9
242.02214	0.5
243.02922	0.9
245.00882	0.9
255.02983	1.9
256.03790	1.1
257.04520	7.3
259.02298	0.6
267.02936	0.7
270.01675	1.1
271.02353	1.0
285.04044	100.0
286.04358	6.6
297.06085	1.4
298.01151	1.2
299.02045	1.5
311.91104	0.5
370.60278	0.4
461.06473	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45713	0.6
58.00591	1.1
59.01380	100.0
60.01711	0.9
61.98834	2.0
62.30032	0.6
66.90290	0.6
70.65823	2.2
71.01379	10.3
72.99334	0.7
73.02958	1.5
85.02959	3.1
85.76003	0.8
89.02442	13.0
89.53745	0.7
95.01444	0.7
101.02444	7.4
113.02452	5.3
117.03510	0.8
119.03522	5.9
119.04963	0.7
131.03497	0.7
143.03540	1.3
145.02945	3.4
151.04037	1.3
161.04529	3.3
169.01410	1.0
179.05627	2.4
201.11388	2.7
209.11906	0.9
236.77878	0.7
270.37167	0.8
279.19620	5.6
307.08334	0.8
313.03632	0.8
399.24078	2.8
459.29565	6.4
459.35175	2.1
460.29559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97384	1.6
57.03433	3.7
59.01379	100.0
61.98803	4.7
63.77968	1.9
69.74570	2.0
71.01389	27.1
71.05013	3.9
71.53294	2.8
72.99336	2.1
73.02930	5.7
83.01438	2.1
83.05026	2.4
85.02932	7.1
87.00887	2.6
89.02451	23.3
95.01330	2.5
97.06580	2.0
99.00871	2.8
101.02441	18.9
109.06573	3.5
113.02439	11.9
115.92065	7.5
118.96573	2.2
119.03504	11.5
129.36983	1.9
159.02873	2.1
159.06525	2.5
161.04536	11.3
179.03267	2.1
179.05583	6.5
305.21118	3.0
359.04941	2.1
397.27274	3.1
399.23605	8.5
399.28400	2.6
401.08527	2.7
441.30032	7.5
459.31161	46.7
460.31387	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	459.2903
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
67.47150	0.2
69.44355	0.3
77.64413	0.3
94.97028	0.3
107.05026	28.8
108.05344	0.7
138.51059	0.3
147.08134	0.4
163.11279	100.0
164.11580	3.9
280.14740	0.4
283.17023	23.6
284.17368	1.9
295.17004	13.9
296.17349	1.1
313.61133	0.3
396.44485	0.3
459.29022	73.1
460.29385	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	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52915	0.3
55.01878	0.3
55.91942	0.3
59.01378	100.0
60.01721	1.1
61.98830	0.4
69.21363	2.7
71.01385	5.7
71.05031	0.3
73.02953	2.3
74.79137	0.3
83.01382	1.5
85.02940	2.4
87.04530	0.4
89.02444	3.1
95.01413	0.6
97.02948	0.4
99.00884	0.7
101.02442	4.3
101.06075	0.7
105.96850	0.3
113.02434	2.6
119.03506	1.0
124.01660	0.3
125.02470	0.8
131.03529	0.2
133.02975	0.4
135.04526	1.4
137.73982	0.3
143.03508	0.6
145.02899	0.4
149.04591	0.5
159.03001	0.3
159.30785	0.2
160.66512	0.3
161.02458	0.9
161.04562	2.2
179.05621	0.5
255.19783	0.6
323.07745	0.6
381.22922	0.7
393.31812	0.6
399.23859	2.8
400.24200	0.4
417.24863	3.0
418.25208	0.4
425.30612	0.5
442.94620	0.3
459.22559	1.0
459.34924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03448	0.7
58.00594	0.5
59.01379	100.0
60.01714	0.9
61.98835	0.6
69.03449	0.4
69.27699	0.3
69.65598	0.3
71.01382	8.3
73.02945	2.7
80.70070	0.4
83.01411	1.0
85.02950	3.9
87.04547	0.7
89.02452	3.4
95.01411	0.7
98.19904	0.6
99.00896	0.9
101.02435	5.4
101.06085	2.1
107.05051	0.9
111.00923	0.4
112.01643	0.5
113.02451	3.6
116.31498	0.4
117.03479	0.7
119.03522	1.4
119.05051	0.4
125.02451	0.6
143.03525	0.8
145.02950	1.9
151.00426	0.5
152.01155	0.5
159.03026	0.4
161.04578	2.5
163.04132	0.4
167.03545	0.6
169.01372	0.4
179.05644	0.8
192.91618	0.4
201.05806	0.4
206.26115	0.4
252.29326	0.3
255.19720	0.9
297.20795	1.0
307.08365	1.0
319.00861	0.4
399.23868	3.4
400.23978	0.6
417.24860	5.2
418.25705	0.4
423.22580	1.0
459.21997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01379	100.0
60.01706	0.9
61.98829	1.0
69.29713	3.0
71.01382	6.8
73.02949	1.8
75.00867	0.5
83.01392	0.9
85.02951	4.2
87.04504	0.8
89.02455	1.9
95.01395	1.2
97.02937	0.5
99.00894	1.5
101.02453	3.6
113.02451	5.9
117.03513	1.4
119.05006	0.6
121.02985	0.6
122.03783	0.6
125.02550	0.4
135.03020	1.2
145.02953	5.2
146.03276	0.4
151.04063	0.9
151.07683	0.4
161.02507	0.8
161.04541	3.1
179.10831	0.6
255.19533	0.5
307.08441	0.7
323.07782	0.5
399.23938	6.0
400.24429	0.6
417.24872	2.4
421.21359	0.6
459.16556	1.4
459.22391	0.6
459.35101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14591	0.4
59.01360	1.7
61.98820	0.5
68.88256	0.4
70.92981	0.8
70.93309	0.4
71.01328	0.4
71.15276	0.4
75.53526	0.4
77.87019	0.5
78.95903	25.1
100.50691	0.4
104.79569	0.3
121.02897	0.4
125.00090	5.2
152.99606	4.4
172.85603	0.4
181.02704	12.1
199.03807	2.8
201.99280	0.4
221.39679	0.4
233.22614	0.5
233.94727	0.4
242.42677	0.4
277.21707	100.0
278.22028	7.5
377.52832	0.4
391.92526	0.5
441.33737	0.9
459.25195	17.0
459.35352	5.0
460.25394	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	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03447	0.5
59.01379	100.0
60.01722	0.9
61.98819	0.7
64.35586	0.4
71.01385	9.5
73.02942	3.2
82.09846	0.4
83.01400	1.2
85.02945	3.8
87.04538	0.7
87.81396	0.4
89.02442	4.0
95.01414	0.7
98.20750	0.7
99.00884	1.2
101.02434	5.8
101.06091	1.8
107.05057	1.8
113.02428	3.8
117.03482	0.6
119.03536	1.7
125.02510	0.7
135.80055	0.5
143.03453	0.9
145.03000	2.1
156.08395	0.4
159.03040	0.4
161.04501	2.8
167.03587	0.6
169.01428	0.4
176.36937	0.4
179.05608	0.8
291.18268	0.6
297.17401	0.5
297.20734	0.4
307.08374	1.3
317.03589	0.4
329.66577	0.4
346.38977	0.4
399.23785	4.8
400.24167	0.5
417.24985	6.2
423.22577	1.3
437.25388	0.4
453.70044	0.5
459.21899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
56.99597	0.1
57.03441	0.6
58.00585	0.3
59.01379	100.0
60.01718	0.9
60.28744	0.2
61.98833	0.7
62.37207	0.1
69.03470	0.3
69.44765	1.1
71.01379	6.8
71.05055	0.3
72.99310	0.3
73.02950	2.5
83.01378	1.3
83.05039	0.2
83.43522	0.1
85.02946	2.5
87.00868	0.4
87.04530	0.5
89.02447	3.1
95.01401	0.7
97.02952	0.3
98.19814	0.3
99.00897	0.6
100.18068	0.2
101.02444	4.6
101.06076	1.1
107.05057	0.3
111.00929	0.4
112.74644	0.2
113.02449	2.7
119.03488	1.1
125.02435	1.0
133.02991	0.5
135.02997	0.2
135.04520	2.0
143.03525	0.7
145.02988	0.5
149.04561	0.3
151.04071	0.2
158.55582	0.2
159.02972	0.2
161.02472	1.7
161.04536	1.8
169.01378	0.2
177.05597	0.2
179.03502	0.2
179.05641	0.4
195.06636	0.2
195.13855	0.2
255.19803	0.5
297.17130	0.6
297.20526	0.3
323.07797	0.6
366.91318	0.2
377.28482	0.4
381.22916	0.7
393.31467	0.8
399.23871	2.7
409.31415	0.3
411.32748	0.2
417.24823	2.6
418.25278	0.3
423.16107	0.2
425.30719	0.4
459.22321	2.2
459.35590	1.4
460.35220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07578	1.4
59.01377	27.0
60.92731	1.4
61.98832	20.2
65.00298	1.4
65.03963	3.9
68.42909	1.2
70.40837	1.3
70.56645	1.3
71.01379	9.4
71.53379	2.0
71.54008	1.6
72.99292	3.3
73.02924	3.2
75.00868	24.3
83.01366	1.6
85.02964	3.9
87.00872	1.5
89.02447	10.7
91.01888	23.8
93.03473	3.8
101.02443	6.4
103.39882	1.2
107.05036	4.2
107.45879	1.2
109.02951	31.0
113.02431	4.4
117.01924	2.3
117.03462	12.0
119.03542	2.0
119.04988	6.5
121.02935	2.5
125.02457	3.3
133.02992	7.2
135.00890	54.6
135.02994	100.0
135.04480	9.7
135.11798	6.0
136.01216	1.9
136.03403	1.4
137.02342	1.4
145.02951	41.2
146.03238	3.0
148.01660	1.5
153.01930	84.5
154.02235	3.3
161.02440	20.6
161.04538	3.1
161.09741	3.7
163.03998	3.9
169.01442	2.8
175.04004	1.9
177.01836	8.6
177.04123	1.4
179.03464	2.8
179.10764	29.9
180.11153	1.3
195.03067	3.1
211.10300	1.2
218.01404	1.4
223.09752	4.9
255.02870	2.0
279.05099	2.6
279.16013	1.6
284.03232	1.7
285.03882	2.5
297.06113	10.4
307.08124	7.0
323.07678	5.3
341.12451	15.1
346.77585	1.4
383.00623	1.4
397.14902	7.5
415.14050	6.5
459.14951	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	459.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37024	0.3
59.01362	1.0
60.50856	0.3
69.71667	0.8
69.72079	1.1
73.21054	0.3
78.95901	8.2
83.05067	0.3
93.03096	0.3
93.99677	0.3
98.20612	0.6
125.00079	2.8
152.99583	1.1
158.95961	0.3
181.02678	2.3
199.03786	3.8
233.22754	0.4
240.00648	0.3
259.20676	0.5
275.20087	0.4
277.21704	100.0
278.22067	9.1
459.25323	5.7
459.35565	1.7
460.25455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.0
71.01389	7.6
72.99308	1.1
73.02951	0.8
75.00877	7.5
79.95349	0.8
83.01376	0.8
85.02956	2.7
86.32724	0.9
89.02420	7.5
93.03462	1.1
94.80923	0.7
95.23550	0.8
101.02458	4.3
113.02477	2.0
117.03468	20.6
119.03559	2.1
119.05022	18.9
119.05809	1.2
121.02958	1.0
127.90083	0.7
132.02200	1.1
133.02954	24.1
133.06613	2.0
134.03702	1.0
135.03021	20.5
135.04549	27.6
135.06656	0.9
136.04880	1.5
143.68265	0.7
145.02950	83.2
146.03296	3.6
147.04530	0.9
151.06133	2.4
160.01686	1.3
161.02438	83.7
161.06021	5.9
162.02792	3.7
163.04008	33.7
163.05403	0.8
164.04387	1.1
164.86217	0.7
175.11919	0.7
177.01935	0.8
177.04259	0.8
177.05620	3.1
179.03493	29.2
179.43700	0.7
180.03847	1.3
205.05048	6.5
234.05403	1.0
235.06219	2.2
248.82051	0.8
265.07086	4.9
297.06265	2.5
323.07629	10.6
341.08734	11.8
342.09134	1.1
409.08975	0.7
459.15234	100.0
460.15732	9.6
482.77618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
59.01377	13.1
63.28955	0.7
69.03432	0.7
71.01379	10.4
71.51627	1.0
73.02928	2.0
75.00854	1.5
82.14440	0.6
83.01394	1.0
83.05029	1.2
85.02961	3.9
87.00871	1.0
89.02449	6.9
95.01415	0.7
99.28983	0.7
101.02435	6.9
101.06084	2.4
108.69703	0.7
109.02963	0.9
113.02432	2.4
117.03455	3.7
119.03495	2.1
119.05018	2.4
121.05090	3.8
125.02428	1.9
127.04009	1.6
132.02165	16.7
133.02969	8.3
134.03740	37.1
135.03015	1.8
135.04561	4.8
137.02435	1.2
139.04013	1.2
145.02974	0.8
145.05058	6.8
149.06044	4.8
160.01653	89.1
161.02457	21.6
161.04539	0.9
162.02780	1.3
163.04022	2.1
169.01437	1.6
175.03993	100.0
176.04401	4.6
177.05621	0.7
177.09241	1.0
179.03490	3.0
179.05479	0.9
189.99022	0.9
191.07143	2.0
193.05043	50.7
194.05412	2.6
211.19559	0.6
217.05177	0.7
233.97987	0.9
235.06085	6.1
247.08118	1.0
251.99185	1.2
265.07162	1.6
295.08163	0.8
337.09351	1.2
341.06589	1.1
397.03946	0.8
415.04944	1.9
459.15082	99.7
460.15424	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	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.9
61.98819	1.2
71.01379	9.1
72.99307	1.6
73.02943	1.1
75.00878	1.5
85.02953	3.0
89.02451	6.7
89.03931	0.9
95.01396	1.3
98.20705	2.5
101.02448	6.3
101.06074	1.1
109.02919	1.0
113.02448	2.9
117.03480	3.5
119.03460	1.5
119.05019	1.6
121.05060	3.1
125.02451	2.1
132.02168	20.1
133.02971	6.9
134.03738	36.5
135.02989	2.2
135.04573	4.3
137.02469	1.6
145.03059	0.9
145.05077	4.5
147.04530	1.0
149.06049	4.2
160.01653	92.9
161.02431	15.7
161.04555	1.7
161.06073	1.1
163.03979	1.6
164.54112	0.9
169.01428	2.6
175.03992	100.0
176.04402	5.1
177.05586	1.1
178.02760	1.0
179.03479	3.0
190.54239	0.8
191.07053	1.3
193.05040	52.1
194.05376	3.3
197.36223	0.9
208.00125	0.9
235.06133	5.6
249.11621	0.8
251.99120	1.6
265.07092	1.6
295.08072	1.1
300.99823	0.9
337.09341	1.5
415.05212	2.2
459.15097	93.6
460.15289	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	459.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32464	0.5
59.01381	2.5
66.37454	0.4
69.46013	3.4
71.01376	1.4
72.99308	0.8
75.00863	6.0
82.45750	0.4
84.39908	0.4
85.02975	0.5
89.02441	2.0
98.19830	0.9
101.02504	0.6
107.05040	1.2
109.02988	0.5
116.92859	3.4
117.01985	0.8
117.03475	0.9
119.03471	0.5
119.05043	0.6
123.04482	0.5
125.02405	0.4
133.02965	2.6
134.03737	2.6
135.02982	25.2
135.04515	78.1
136.03259	0.8
136.04855	3.5
137.72856	0.5
145.02994	1.5
161.02440	6.5
163.03958	0.6
179.03491	100.0
180.03796	4.0
183.14255	0.4
191.05592	0.6
297.06128	6.7
298.06537	0.5
323.07715	1.5
341.08701	6.8
438.13721	0.5
459.10574	8.3
460.11456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14126	9.3
73.02948	39.3
75.00867	3.0
81.01190	1.0
89.02433	1.7
94.57037	0.9
98.19920	1.8
99.00865	6.1
101.94559	0.8
108.02108	1.1
116.92827	2.2
117.01946	100.0
117.95971	1.0
118.02289	2.3
118.05080	1.8
135.03017	9.2
135.04535	14.8
161.02478	5.4
170.94128	0.9
178.30437	1.0
179.03514	15.2
297.05905	1.1
323.07733	4.6
334.64087	0.9
341.08798	3.9
459.11099	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33604	0.9
59.01384	2.2
70.66833	1.2
71.01388	1.2
73.02946	49.4
75.00881	1.1
77.12833	1.0
89.02443	1.7
94.39760	1.3
99.00880	6.1
116.92873	5.8
117.01942	100.0
118.02283	2.1
130.08720	1.2
135.03027	4.9
135.04533	8.7
149.37221	1.1
161.02455	4.9
166.05051	2.7
168.60236	1.1
179.03505	7.6
185.49161	0.9
199.11937	1.0
230.14186	0.9
312.58975	1.1
323.07584	1.7
341.08743	3.2
358.85800	1.1
459.11414	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
57.03452	3.1
59.01382	35.5
61.98829	15.9
64.51869	1.6
71.01382	10.7
71.53006	2.8
72.99315	3.3
73.02959	6.9
75.00881	21.5
80.49253	1.7
83.01408	1.8
85.02936	4.9
87.00864	2.9
89.02454	7.5
93.03448	11.6
101.02426	8.9
113.02453	4.4
117.01971	4.1
117.03460	16.4
119.05042	6.8
121.02950	2.1
123.00881	1.8
123.04421	2.4
125.02454	4.2
133.02974	3.0
133.10231	2.0
135.02994	100.0
135.04472	3.2
135.11803	14.8
137.02470	6.7
145.02957	59.4
146.03348	2.7
148.05313	6.9
149.02380	3.2
149.05634	3.0
151.00400	3.4
151.04024	8.5
161.02451	3.3
161.04514	2.4
161.09734	7.5
163.03979	6.7
163.07687	4.5
164.07927	3.9
169.01405	5.1
169.94386	1.9
179.10770	81.2
180.11131	2.2
191.03560	6.1
223.09744	29.2
295.08414	3.2
313.09335	7.1
341.12375	46.1
342.12869	3.2
424.96146	2.2
459.13751	59.3
460.14197	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	459.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	3.2
69.32647	5.6
71.01373	1.7
72.99288	1.1
75.00481	0.9
75.00874	13.9
77.29719	0.8
89.00474	0.7
89.02426	2.3
108.02177	0.9
116.92805	2.7
117.01897	1.3
117.03423	1.3
121.02908	0.8
133.02962	7.1
134.03673	2.4
135.02953	44.2
135.04480	100.0
136.04816	3.6
145.02888	1.2
152.86667	0.7
160.01622	2.1
161.02438	34.7
162.02734	1.7
179.03503	95.3
180.03839	4.3
221.04420	0.9
259.47968	0.8
297.06100	7.6
323.07715	26.8
324.07846	1.8
341.08765	28.1
342.08670	1.2
459.11197	36.5
460.11444	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.9
69.47480	0.9
69.81174	2.4
69.81564	1.9
71.01373	2.4
72.99311	2.3
75.00867	37.0
82.59021	0.8
87.00861	1.9
88.26138	0.9
89.02442	8.0
97.90118	0.9
101.21058	0.9
117.01965	4.6
117.03441	2.3
132.02199	2.1
133.02950	13.5
134.03714	2.0
135.02980	100.0
135.04501	78.5
136.03331	1.8
136.04860	3.0
160.01643	4.7
161.02437	82.8
162.02751	3.9
179.03488	95.7
180.03807	2.8
206.30188	0.9
293.42612	0.8
297.06183	4.0
323.07684	70.7
324.08078	4.0
341.08765	39.7
342.09003	4.0
459.11154	23.4
460.11734	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	457.3322
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
59.01376	0.7
69.40464	2.3
71.05019	3.2
73.02914	0.3
78.95901	0.5
80.62392	0.3
83.04971	0.5
85.75330	0.3
98.19901	0.7
107.69301	0.3
135.39557	0.3
142.89648	0.3
171.37009	0.3
173.81874	0.4
286.86237	0.4
341.28351	0.6
347.27567	0.9
361.29092	0.4
375.21857	0.4
377.32144	1.3
378.32388	0.4
393.31635	1.1
395.33228	6.2
396.33603	0.8
397.31006	2.3
409.31256	0.6
410.31125	0.4
413.34195	1.0
439.32135	11.8
440.32730	2.0
457.33234	100.0
458.33615	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	457.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11279	0.6
59.01366	0.6
61.98859	0.6
62.53637	0.6
70.28195	0.6
70.28530	2.5
71.05023	7.1
72.74195	0.7
73.07291	0.6
83.05019	0.7
83.37403	0.6
97.06577	1.3
109.06614	0.8
111.08120	1.4
121.06593	1.1
122.93476	0.7
123.08170	3.7
133.06625	1.0
189.12820	3.7
191.14374	6.5
203.14369	0.6
273.18555	5.5
289.21710	8.5
290.22040	1.0
335.46762	0.7
355.26523	2.5
357.28076	2.0
367.26624	0.9
373.27719	3.5
385.27698	1.9
387.30701	1.1
411.28906	0.9
421.31152	5.4
422.31372	1.2
423.32864	3.5
425.34491	0.9
437.30972	1.4
439.32144	20.9
440.32422	2.9
445.43921	0.7
457.33328	100.0
458.33786	14.7
467.32065	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	457.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.6
61.24092	0.2
63.41164	0.2
63.88071	0.2
69.25446	1.5
69.25850	0.6
71.05013	1.6
75.61013	0.3
78.11075	0.2
78.78068	0.2
82.99049	0.3
97.06570	0.3
99.04491	0.6
109.06595	2.7
237.51443	0.3
339.23221	0.6
357.24411	2.0
373.27341	0.5
385.27463	0.7
413.30334	0.5
423.29022	1.2
439.32288	1.0
440.32693	0.3
441.30106	1.2
443.21384	0.3
457.33249	100.0
458.33600	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	457.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14594	0.2
55.17783	0.2
57.15703	0.2
59.01371	0.5
69.36482	0.5
69.36899	1.2
71.05018	3.6
75.41080	0.2
83.05025	0.3
83.87607	0.2
97.06585	0.9
98.54728	0.2
104.31849	0.2
109.06554	0.3
114.46670	0.2
121.06481	0.2
137.09721	0.4
156.10214	0.2
205.15936	0.7
276.63309	0.2
305.19150	0.6
317.19238	0.4
318.72803	0.2
323.20108	0.7
335.20193	0.4
339.19632	0.7
339.23358	0.3
341.21164	5.4
341.25006	0.4
342.21579	0.6
351.23181	0.2
353.21259	3.0
354.21262	0.3
357.24268	0.9
369.24387	0.8
373.27448	0.8
385.27377	0.9
389.24826	0.4
407.25949	0.6
425.26968	3.1
426.27240	0.4
437.30890	0.3
439.32089	0.7
441.30103	2.0
442.30139	0.4
457.33215	100.0
458.33563	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	457.3322
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
59.01361	0.3
60.00898	1.7
70.38685	0.8
71.05018	0.6
83.05009	0.3
127.05615	0.3
152.18697	0.3
275.36642	0.3
291.78336	0.2
337.21722	2.2
354.64542	0.3
370.02505	0.3
413.34241	8.8
414.34537	1.3
421.31094	0.4
439.32211	1.8
449.57935	0.3
457.33194	100.0
458.23291	0.6
458.33557	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	457.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.2
58.00568	0.3
59.01361	0.2
69.36727	1.5
71.05017	9.8
72.05353	0.2
83.05022	0.4
87.19036	0.2
97.06571	1.3
107.05027	0.2
109.06582	5.6
110.06922	0.2
121.06569	0.3
123.08155	0.2
125.09686	0.2
125.45659	0.2
133.06578	0.5
135.08122	0.5
137.09738	0.2
149.09758	0.3
189.12894	0.3
205.15892	1.1
219.17534	0.6
235.17082	0.2
237.18532	0.3
243.54282	0.2
291.49237	0.2
305.19022	0.2
316.83310	0.2
317.19043	0.2
321.18503	0.2
323.20065	0.9
325.21674	0.6
327.23300	0.3
337.21741	0.4
339.19571	0.3
339.23248	1.2
341.21188	2.8
341.24948	0.2
342.21829	0.2
345.24939	0.2
353.21143	1.2
355.22562	1.1
355.26367	0.6
357.24329	5.2
358.24628	0.5
361.27493	0.8
369.24353	0.8
371.25906	0.5
373.27441	12.6
374.27826	1.4
385.27444	13.8
386.27783	1.8
389.24829	0.3
401.23294	0.6
402.23816	0.3
405.26318	0.2
407.26404	0.3
409.31689	0.2
411.29019	0.3
413.30756	0.3
423.29050	0.4
425.26801	1.6
437.30353	0.4
439.32343	1.2
441.29907	2.0
442.30670	0.4
455.31754	0.4
457.33197	100.0
458.33554	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	457.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86306	0.4
57.03442	0.8
59.01381	7.1
61.98837	0.8
69.20507	4.4
69.97910	0.5
71.01376	1.0
71.05023	15.5
72.05358	0.4
73.02955	0.9
83.05033	1.8
89.02463	0.7
97.02921	0.6
97.06604	0.8
107.01402	0.6
109.06582	0.9
123.00861	0.6
124.01656	1.4
125.02441	4.4
130.08723	0.8
137.02382	0.5
137.06088	0.7
139.12660	0.4
149.99593	2.8
157.10271	0.9
161.04532	0.7
166.96016	0.4
168.00633	4.4
169.01314	0.8
185.21649	0.4
205.16032	0.4
284.03302	0.7
287.59903	0.4
319.22708	0.6
321.22461	0.5
323.20087	0.5
327.19547	0.6
331.24570	1.3
337.25433	1.3
339.23270	1.3
353.24835	1.3
355.26428	2.3
357.24652	1.5
365.24905	1.0
367.26364	4.1
371.25739	0.9
373.27539	0.7
385.27893	0.6
393.27975	0.7
399.25476	0.7
405.27957	0.9
409.26291	0.5
409.31369	2.2
411.25284	1.8
413.30972	0.6
419.28973	0.5
421.31262	1.4
423.29001	1.0
424.29099	0.5
425.30954	0.7
435.28836	1.1
437.30591	16.2
438.31393	2.1
439.32217	31.7
440.32526	3.7
441.30292	1.0
455.31787	1.8
457.17447	6.2
457.33255	100.0
458.17615	0.6
458.33664	12.5
469.29749	0.9
483.31131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.3
59.01367	0.7
68.01675	0.2
69.23040	0.3
69.23444	1.3
71.01371	0.2
71.05016	6.4
73.02937	0.3
83.05010	0.2
85.06591	0.2
87.04520	0.5
87.25160	0.1
95.05039	0.2
97.06579	0.7
98.19891	0.3
107.05025	0.2
109.06585	7.4
109.64122	0.2
110.06926	0.3
123.08257	0.2
132.20102	0.2
137.09763	0.2
146.22003	0.2
173.09763	0.3
183.08138	0.2
201.12964	0.2
227.14594	0.2
256.14667	0.3
257.15436	1.0
259.16937	0.3
281.18768	0.2
309.22202	0.2
313.21768	0.2
321.22086	0.2
323.20044	0.3
325.21713	0.3
337.21796	0.9
339.23257	3.4
340.23520	0.4
341.21106	0.5
349.21658	0.9
351.23187	0.4
353.24811	0.2
355.22684	1.4
355.26657	0.3
357.24347	7.9
358.24722	0.7
359.25946	0.2
367.22742	0.7
368.22992	0.2
369.24341	0.5
371.25729	0.5
373.27451	2.5
374.27838	0.3
379.26740	0.2
385.27493	1.9
393.27954	0.3
397.27377	0.2
401.23300	0.3
405.27911	0.3
409.27353	0.5
413.30325	0.4
421.26758	1.0
421.32037	0.3
423.29013	5.6
424.29279	0.7
425.26962	0.5
437.30771	0.4
439.27933	1.2
439.32272	2.3
440.32489	0.3
441.23672	0.3
441.30042	6.2
442.30618	0.9
457.33194	100.0
458.33536	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	457.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03443	0.4
58.00589	1.2
59.01388	0.4
60.93937	0.3
66.41428	0.3
66.57549	0.3
69.03419	0.5
71.01383	0.4
71.05021	20.8
72.05364	0.4
73.02940	2.2
83.05026	13.9
97.06599	2.6
98.20654	0.8
101.06078	0.9
107.05019	0.7
109.06581	2.3
111.70684	0.3
123.08190	0.8
133.06667	0.3
135.08165	0.9
137.09732	1.0
147.08177	0.6
149.09702	1.3
166.85739	0.4
175.11276	0.5
189.12849	5.6
201.45186	0.3
203.14391	3.5
205.15964	3.0
217.15871	0.5
219.13953	2.6
219.17532	1.9
227.89551	0.4
233.31938	0.4
271.17090	0.9
281.22644	0.6
283.39908	0.3
291.17575	0.4
299.24036	0.4
305.15900	0.3
306.19681	0.3
319.20816	0.4
319.24313	1.1
321.22189	3.1
325.21671	0.4
337.21777	0.6
337.25308	3.0
339.23203	0.8
349.25439	1.6
351.23349	0.4
355.26364	1.0
367.26483	0.4
389.24533	0.4
391.26395	0.9
405.28027	1.0
407.29706	1.7
409.31219	0.6
413.30368	0.7
419.29605	0.6
421.31183	4.0
423.29047	1.4
425.30658	2.6
432.08096	0.4
437.30789	0.8
439.32211	13.0
440.32590	1.7
455.31653	6.4
456.32104	0.9
457.33249	100.0
458.33630	13.4
458.40067	0.7
475.34314	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	457.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71577	0.5
55.01896	1.1
55.83717	0.5
57.03445	1.2
59.01379	100.0
60.01707	0.6
61.12607	0.6
61.98830	3.8
69.03456	0.8
69.39930	3.8
71.01382	18.1
72.99297	1.1
73.02948	13.1
75.00887	0.6
78.95928	1.3
80.96401	0.6
83.01405	4.4
85.02943	4.0
87.00879	1.0
89.02438	8.5
93.03472	0.9
95.01409	3.1
97.02984	0.6
99.00901	1.0
101.02441	15.1
101.03104	0.8
113.02453	11.4
119.03511	3.4
119.05061	1.7
123.00889	1.3
123.04509	0.8
125.02473	2.4
131.03542	1.2
133.02980	0.7
133.06609	0.7
133.10292	0.6
134.03758	0.8
135.03000	0.8
135.04546	1.1
137.02521	0.8
143.03523	1.1
145.02994	2.4
149.04579	0.8
151.00369	0.6
152.99591	1.1
155.00003	1.0
157.75670	0.6
161.02512	1.0
161.04602	4.1
161.05952	1.0
163.04019	2.3
165.12880	1.3
169.01457	2.3
183.13890	2.6
184.14299	1.2
185.14569	1.1
205.05058	1.2
253.18115	0.7
259.06128	0.9
265.07281	2.0
285.04105	1.3
299.99213	1.2
325.92960	0.7
337.67633	0.6
397.22617	0.8
400.07523	0.6
413.18488	0.7
415.23743	1.5
421.11548	1.3
421.20999	1.2
438.99429	0.9
457.11981	1.1
457.17358	4.5
457.28683	1.4
457.34293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2955
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
57.03445	4.0
58.00565	0.6
59.01382	5.3
61.98836	1.4
69.03465	1.5
70.28747	1.4
70.29111	1.3
71.01385	1.0
71.05013	3.5
73.02949	1.4
79.95728	0.6
83.05018	2.0
97.06571	1.2
101.02440	1.1
101.06087	6.7
105.44547	0.6
109.06590	3.0
137.09718	0.7
161.04497	0.7
188.03494	4.3
189.12885	1.4
205.15941	1.1
210.98116	0.6
220.05981	0.7
229.28639	0.7
318.13394	2.2
337.25449	0.9
355.26535	3.1
357.24310	0.8
369.28195	1.1
379.26340	1.0
387.25436	1.4
391.30161	1.2
395.29660	1.8
396.29440	0.7
397.27518	6.0
399.25241	0.8
401.27011	0.7
409.31284	1.0
411.28894	1.8
413.30655	22.6
414.30981	3.2
421.31125	2.4
423.29184	1.0
425.30521	1.3
427.28470	2.3
436.77869	0.7
437.30444	0.9
439.32837	5.3
455.32077	0.8
457.28680	100.0
457.34116	13.9
458.29178	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	457.296
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
53.59807	0.4
57.03450	2.4
59.01376	6.5
69.03403	0.4
69.23620	1.4
69.24040	2.4
71.01325	0.4
71.04996	1.8
83.05005	0.6
98.19938	0.9
98.36148	0.4
108.59550	0.5
109.06508	0.4
141.37975	0.5
141.77512	0.4
153.83946	0.4
185.96037	0.4
189.12740	0.8
224.22731	0.4
237.18317	0.4
277.21585	0.7
355.22623	2.5
355.26291	0.8
367.22363	1.5
373.26874	0.4
385.27161	0.5
395.29294	1.2
397.27441	21.5
398.27914	2.3
411.28680	0.6
413.30600	15.8
414.30649	1.4
439.28226	10.4
440.28360	1.1
441.29657	0.4
457.29196	100.0
458.29623	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	457.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01385	0.4
65.02331	0.3
69.79967	1.5
71.01385	0.4
71.05024	3.1
73.02959	0.6
79.59793	0.3
83.05031	1.6
91.67842	0.3
97.06605	2.0
98.20628	0.5
109.06593	0.5
111.08164	0.8
113.06091	0.4
121.06586	0.5
123.08163	0.5
133.06601	0.9
137.09726	0.4
147.08148	4.1
155.10725	0.4
189.12904	0.8
192.69524	0.3
203.14400	1.0
205.12288	0.3
205.16022	1.0
207.13887	5.4
209.15472	0.5
219.13948	0.5
219.17546	1.7
220.14674	1.9
221.15370	1.0
234.12605	0.3
237.18591	0.5
237.43031	0.3
252.13649	8.7
253.13910	0.4
273.18631	0.4
285.18683	0.4
311.23813	1.1
323.20154	0.7
329.24783	0.9
339.19693	0.6
339.23517	0.5
341.21255	0.6
345.24756	0.4
353.21060	0.8
357.24606	1.0
359.27472	2.5
360.27512	0.4
371.25967	1.0
373.28116	0.3
383.25961	0.9
389.24866	0.5
395.29456	1.7
403.30524	1.7
404.30444	0.4
409.31522	1.6
413.30786	2.0
414.30811	0.4
421.31329	1.6
423.29056	1.0
425.26947	2.1
427.28384	2.5
439.32248	13.1
440.32391	2.1
441.30106	2.1
455.31879	0.6
457.33246	100.0
458.33588	15.1
483.31192	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	457.1716
Annotation	Foliachinenoside B1
Peak:m/z	Relative Intensity
52.82396	0.6
54.53464	0.7
55.01869	2.5
57.03452	1.6
59.01377	50.0
60.01705	0.6
61.98831	0.9
62.74098	0.7
69.49151	5.4
71.01379	31.1
72.99303	1.1
73.02944	12.7
75.00892	0.9
83.01381	2.9
85.02948	10.5
87.00893	1.4
89.02441	10.2
91.17971	0.8
95.01379	1.8
99.00882	15.4
101.02439	17.6
109.44805	0.8
113.02447	11.3
125.02461	1.2
130.08762	1.4
131.03482	2.0
135.03024	1.1
143.03513	3.4
147.04558	0.9
148.05299	100.0
149.06007	5.5
159.02977	2.1
161.04546	27.9
163.07637	79.9
164.07962	3.6
178.44554	0.8
191.05569	1.9
191.21724	0.9
191.75783	0.7
203.05534	1.2
310.30185	0.7
325.12881	1.9
413.24127	1.6
457.17102	39.8
458.17615	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06586	0.1
57.72348	0.1
58.22828	0.1
61.98856	0.1
70.00035	0.2
70.00441	0.3
97.93125	0.1
99.92579	5.9
100.92635	0.4
100.93356	4.6
101.93355	0.2
113.92645	0.3
115.92075	100.0
116.92081	4.0
116.92862	5.7
117.92472	0.2
123.73470	0.1
130.94417	0.1
132.92363	1.0
139.59802	0.1
142.94385	0.3
155.95203	0.2
172.95457	5.9
173.95543	0.3
283.26382	0.9
284.38843	0.1
383.18945	0.6
384.19659	0.1
399.18414	0.3
404.33554	0.1
409.20590	0.7
410.20819	0.1
434.40021	0.1
439.21432	0.2
457.22610	4.1
458.22760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	sasanquin
Peak:m/z	Relative Intensity
55.01870	2.2
56.73254	0.9
57.03439	1.8
58.00584	1.2
59.01381	37.4
68.90011	0.9
71.01383	45.8
71.52747	1.0
71.53163	1.4
71.62294	1.0
72.99299	1.5
73.02935	6.7
75.00864	1.5
83.01392	4.0
85.02949	10.4
87.00873	5.7
89.02445	33.6
90.02744	1.1
93.03461	3.7
95.01402	1.4
97.02930	2.0
98.27491	1.0
99.00874	2.8
101.01814	1.4
101.02450	26.2
108.02129	3.4
109.02940	2.8
113.02452	12.2
121.03013	1.0
123.04533	1.0
125.02448	3.5
131.03499	19.6
135.02997	2.1
135.04494	1.1
143.03499	5.3
147.04527	2.3
148.05304	100.0
149.04517	4.9
149.05666	3.8
151.00333	1.3
152.01141	4.2
153.01898	1.2
161.02550	1.6
161.04556	15.7
162.04857	0.9
163.07648	59.8
164.07968	1.9
169.01440	1.1
191.05618	12.8
192.05952	1.1
293.08817	4.1
294.82690	1.0
457.17374	26.5
458.17526	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	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28192	0.3
59.84722	0.3
69.26826	1.2
69.27249	1.7
142.43750	0.3
145.47495	0.3
435.05209	0.3
455.35272	100.0
456.35635	13.9
475.18402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32994	0.3
69.37035	2.0
97.64971	0.2
165.54901	0.3
326.30768	0.3
393.31845	0.3
411.32678	0.8
455.35312	100.0
456.35681	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	456.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56819	0.5
59.01378	2.2
61.98829	100.0
71.01402	1.1
73.02956	0.5
78.68378	0.5
82.86834	0.5
85.02953	0.5
89.02456	1.1
98.19884	1.7
99.00858	0.6
101.02464	0.9
119.03488	0.5
125.02451	0.8
133.02969	0.8
135.04555	1.1
156.11060	0.6
160.01614	0.9
161.02414	2.8
169.01468	1.0
175.04062	1.2
175.41721	0.5
177.02104	0.5
177.04077	0.9
191.05632	0.7
295.10483	1.3
387.28693	0.5
456.16296	0.6
457.12918	1.3
457.17606	2.6
478.05728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71404	9.8
61.98827	59.9
69.55105	28.3
69.55537	48.5
71.05035	9.0
78.10951	9.2
115.27336	9.4
343.51794	11.3
456.35822	100.0
457.33102	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16808	0.6
50.55444	0.7
50.87974	0.7
55.01877	0.8
56.85135	0.7
57.03430	1.7
59.01381	8.7
67.01887	0.8
68.99805	3.0
69.03462	1.2
69.57695	3.5
69.58100	1.6
71.01386	6.9
73.02943	2.1
74.78664	0.8
75.00862	1.3
83.01389	2.4
85.02943	8.2
87.00880	3.3
87.04479	0.9
88.98750	1.2
89.02448	6.3
93.03455	12.4
95.01391	2.0
96.95992	0.8
97.02946	1.2
98.19904	1.6
99.00864	5.7
101.02459	5.0
109.02989	1.2
111.00883	2.4
111.04478	1.6
113.02448	7.5
113.99586	16.8
115.00376	7.5
119.03491	1.6
119.05014	3.9
123.00915	1.1
124.01638	0.8
125.02451	3.7
127.00370	3.8
129.01933	3.5
130.94154	0.8
133.02924	1.7
133.05048	3.7
133.06540	1.9
135.04555	3.9
137.02440	25.4
138.02792	1.2
139.00346	1.8
139.03989	3.1
141.01978	1.1
145.02910	1.9
151.00395	0.9
153.01918	1.1
154.07829	0.8
157.01418	5.7
161.02441	4.4
163.04005	3.1
165.01942	1.2
169.01424	5.9
174.01688	17.6
175.02455	2.7
177.05603	0.8
179.03458	5.1
191.05658	4.0
191.07167	0.9
193.01283	0.9
193.05037	1.9
205.04964	0.9
221.04720	1.0
230.14537	0.8
233.08264	1.2
265.07233	1.9
269.06955	0.9
277.05612	32.7
278.05832	1.1
281.06509	1.1
304.53406	0.9
319.06744	1.0
337.07751	53.2
338.08069	2.4
341.08636	1.8
397.07642	6.0
439.08340	1.0
457.09842	100.0
457.16608	7.3
458.10196	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	455.3166
Annotation	3-Dehydro-15-deoxoeucosterol
Peak:m/z	Relative Intensity
57.03444	2.0
59.01368	2.3
69.03436	1.6
69.26163	9.2
71.05019	82.4
72.05368	1.0
83.05022	3.0
85.06581	1.5
86.66537	1.1
95.05033	1.6
97.06590	10.0
98.20665	2.0
107.05039	2.4
109.02942	1.0
111.04515	2.3
121.06592	14.2
123.08160	55.7
133.06616	7.6
135.08156	24.1
136.79295	0.9
137.09694	1.9
147.08252	0.9
149.09760	1.2
163.11267	1.1
168.29041	1.0
187.11272	1.2
189.12822	1.3
205.12338	7.9
207.13893	1.8
241.15981	4.8
247.17041	14.1
271.17068	1.5
287.20151	16.0
288.20694	0.9
291.21097	4.8
307.24438	1.1
319.24313	4.1
321.22351	1.4
323.20425	1.1
323.23959	1.5
331.24246	5.8
337.21707	1.9
337.25351	8.4
339.23129	1.4
339.26953	1.6
349.25333	3.4
353.24933	6.6
361.25183	1.5
363.23383	2.2
365.24869	2.5
369.24338	3.1
371.25952	6.0
373.25412	1.2
376.24100	1.7
383.26138	5.0
391.26208	2.7
393.31808	2.1
403.30054	2.9
405.28143	1.3
407.29822	1.4
419.29544	4.8
420.29855	1.3
421.27002	1.9
421.31699	1.9
423.32870	3.4
425.30807	1.8
437.30579	46.1
438.30911	4.5
453.30783	1.1
455.31659	100.0
456.32059	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	455.3165
Annotation	3-Dehydro-15-deoxoeucosterol
Peak:m/z	Relative Intensity
52.66500	0.4
57.03446	3.8
57.36992	0.3
58.18758	0.4
59.01375	1.0
61.98826	0.8
64.88986	0.3
71.01381	1.2
71.05013	5.2
71.57818	0.4
73.02935	1.9
80.73256	0.3
82.05542	0.3
83.05053	0.5
87.04472	0.3
96.78171	0.4
97.06568	0.7
98.02607	0.4
98.20673	0.9
133.06569	0.5
135.08127	0.4
165.80579	0.4
171.10316	0.6
171.47565	0.4
189.12831	1.2
191.14377	0.5
306.16492	0.5
309.18832	0.5
323.23749	1.3
325.21741	0.9
337.21869	1.1
339.23160	0.5
353.24878	1.0
355.22803	3.8
356.23087	0.4
371.25964	3.8
372.26645	0.5
375.27194	0.5
383.25897	1.6
389.28662	0.9
391.26434	0.5
393.27930	1.4
401.23358	0.4
403.26215	0.6
407.29852	0.9
409.27533	1.2
411.29028	3.3
415.25757	0.5
417.28088	0.8
419.29626	1.1
421.27316	2.4
425.26520	3.4
426.27179	0.6
435.29132	0.5
437.30643	13.9
438.31009	1.3
439.28885	2.5
453.30460	0.6
455.31674	100.0
456.32019	16.0
456.38562	0.6
463.17374	0.5
469.29507	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3164
Annotation	3-Dehydro-15-deoxoeucosterol
Peak:m/z	Relative Intensity
50.19547	0.3
57.03446	1.9
58.00601	0.4
59.01366	0.6
71.05019	7.0
73.02935	0.7
77.91779	0.3
79.05539	0.4
83.05025	0.9
84.32386	0.3
85.02946	0.7
86.39850	0.3
90.70834	0.3
97.06598	4.9
98.20674	0.8
99.04513	0.4
110.64416	0.3
121.06565	2.6
123.08156	4.0
133.06587	0.5
135.08180	1.5
137.09721	4.0
149.09705	0.4
151.11377	0.4
163.07648	0.3
163.11272	0.4
173.09715	0.6
189.12790	0.9
196.34738	0.3
205.12343	0.5
205.15945	0.4
215.14470	0.8
226.08157	0.3
229.46452	0.3
231.17429	0.4
241.15749	0.4
242.13097	0.4
255.13797	0.4
256.14636	0.4
269.19107	1.3
271.17078	2.9
275.20084	0.8
285.18729	0.4
287.20108	5.4
289.18076	12.9
290.18427	1.2
301.17746	0.3
303.19577	1.2
305.21140	3.7
319.19281	0.6
319.22803	0.5
337.21664	0.4
346.03470	0.4
349.20758	0.3
351.26813	1.0
353.21014	0.9
353.24878	1.9
355.22784	1.2
355.26636	0.4
359.19922	0.4
360.04803	0.3
365.24823	0.7
367.26370	0.7
369.27853	0.7
371.25888	7.1
372.26202	1.1
383.25864	2.4
384.26144	0.4
393.28070	0.4
401.26935	2.3
407.25839	0.8
421.27313	2.1
422.27756	0.5
425.26736	2.9
426.27124	0.4
437.30664	3.8
438.31058	0.4
439.28476	1.3
440.28738	0.3
455.31647	100.0
456.31967	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	455.3166
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
59.01359	0.8
63.62265	0.6
68.99566	0.5
70.85709	0.9
71.05016	3.8
73.50183	0.4
75.00837	0.5
78.95891	1.8
80.66715	0.4
80.96319	0.7
83.04990	0.5
91.04372	0.4
97.88223	0.5
98.19909	0.5
101.96256	0.4
112.98537	0.7
113.46593	0.4
118.66869	0.4
123.08145	0.9
161.02469	0.9
255.23250	0.8
256.23642	3.3
257.23923	1.6
258.23956	2.2
377.28470	4.5
378.28604	0.6
391.30225	0.8
393.31705	3.8
394.32086	0.7
395.29614	1.7
403.59604	0.5
409.31253	2.0
410.31644	0.5
411.32721	1.2
421.27603	1.0
425.30533	1.4
437.30579	17.4
438.30814	2.7
455.31641	100.0
456.25427	0.6
456.31946	12.8
481.29724	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	455.2804
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
57.03433	0.4
57.53630	0.3
59.01376	0.6
61.92295	0.3
66.57930	0.3
70.03518	0.4
70.03857	1.2
71.05014	6.3
73.40628	0.3
83.05022	0.9
97.06583	0.9
106.04228	0.7
107.05030	0.6
109.06578	1.5
111.04525	0.7
119.04988	0.6
125.09687	0.4
141.69710	0.3
185.06038	0.4
186.06895	0.9
187.07652	0.4
189.09241	0.4
199.07623	0.9
218.05763	0.7
244.11021	0.9
270.12561	1.3
271.13351	1.8
274.28400	0.3
283.13458	1.9
302.11575	0.9
323.16531	0.5
325.25439	0.8
335.20038	0.4
337.17969	0.7
343.26407	0.6
347.19733	0.3
351.19705	0.4
353.21011	0.8
355.19229	0.5
363.68518	0.3
371.22162	10.0
371.25992	1.0
372.22507	1.0
383.22113	4.6
383.26233	0.5
395.25696	0.5
437.26349	0.7
455.27390	100.0
456.27716	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	455.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.8
59.01379	73.4
61.98840	20.2
63.78340	2.8
69.38841	21.5
69.39228	3.7
69.43394	2.8
71.01390	16.9
71.05023	6.9
72.99299	3.7
73.02940	4.6
75.00887	3.1
83.01379	7.1
85.02951	7.7
89.02457	9.6
93.03431	4.8
95.01387	31.4
101.02436	9.4
111.00881	12.6
113.02415	12.3
115.52107	2.7
119.05026	100.0
120.05347	3.6
121.02944	6.9
123.00890	4.9
125.02448	7.6
132.02086	2.7
137.02434	8.7
139.00362	23.9
147.04480	4.0
151.86586	3.1
161.02438	6.3
161.04559	4.5
163.04004	84.8
167.82735	2.8
169.01443	10.8
207.47322	3.6
221.09691	3.2
232.93924	3.2
233.15367	3.2
249.09123	9.8
257.08215	6.0
301.00159	3.0
307.18985	2.8
455.13239	13.1
455.19257	5.7
455.22748	4.1
455.32150	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	455.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
59.01382	3.5
61.98820	0.7
69.17805	2.2
69.18230	4.9
78.95903	52.5
79.97234	0.7
96.69979	0.6
96.96970	4.5
98.19926	1.2
101.02406	0.9
111.08159	1.2
123.00871	0.9
137.02440	1.1
150.97992	0.9
152.99580	57.5
159.48341	0.6
165.12846	27.6
166.13217	0.8
171.00623	8.3
183.13890	100.0
184.14230	5.5
209.11758	3.4
227.03204	3.4
227.12878	36.3
228.13179	2.3
245.04390	1.5
332.66998	0.7
363.12119	3.6
437.15808	3.5
455.16830	99.4
456.17120	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	455.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.2
57.03455	2.8
58.00607	1.7
58.08921	1.3
59.01377	57.9
60.01748	1.3
68.44241	1.4
70.10052	2.9
70.10452	2.9
71.01385	32.0
73.02944	17.5
74.40289	1.5
75.00888	1.5
83.01377	12.3
85.02954	18.0
87.00865	2.1
89.02435	5.0
93.03419	1.4
95.01374	2.0
97.85136	1.5
99.00879	5.3
101.02436	41.7
103.04034	2.0
109.02965	4.8
111.00907	2.4
113.02455	11.4
115.27388	1.5
119.03449	1.8
119.05031	4.0
122.82411	1.5
125.02455	4.2
133.21703	1.5
135.03053	1.4
137.02411	2.1
145.02887	1.8
156.38565	1.5
159.02986	3.8
161.02403	2.8
161.04559	13.9
163.04015	4.8
169.01468	4.2
177.01927	2.3
249.13422	73.6
250.13818	3.9
315.05118	3.1
343.04507	2.9
395.19183	100.0
396.19379	7.6
455.14044	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	455.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86783	1.3
55.01867	3.7
57.03438	3.4
58.41958	1.1
59.01378	61.2
60.01702	1.3
61.98794	1.7
71.01376	32.2
73.02941	17.9
83.01382	13.7
85.02944	18.2
87.00843	2.5
89.02442	4.5
93.94547	1.3
95.01392	3.3
97.02975	1.3
98.19928	3.2
99.00882	5.9
101.01801	2.4
101.02444	45.7
101.03106	2.8
108.02174	1.3
109.02901	2.8
111.00824	1.3
113.02441	16.2
119.04996	4.2
124.01575	1.4
125.02410	5.9
129.01984	1.7
135.02968	1.5
137.02405	1.6
143.03470	2.4
145.02924	2.8
151.00485	1.6
159.02969	4.6
161.02396	3.5
161.04520	16.0
163.03970	4.4
165.04109	1.8
169.01390	2.4
231.10258	1.7
249.13405	66.9
250.13710	2.4
257.00629	1.3
300.99872	1.6
343.04553	1.4
395.19208	100.0
396.19617	8.7
403.18539	1.4
455.15598	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	453.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01686	0.8
61.52936	0.7
61.98830	3.6
71.01390	1.3
71.05014	1.2
77.08442	0.8
81.03479	0.8
93.03484	0.8
95.05031	1.9
96.95966	0.7
101.02450	0.9
105.61631	0.6
107.05058	1.1
113.02470	1.3
119.41563	0.7
125.02454	1.5
133.88881	0.6
145.03008	1.1
169.01451	0.9
229.37677	0.8
240.78157	0.8
247.02406	1.0
250.53720	0.7
299.99118	1.7
301.00125	1.0
306.88818	0.8
312.99875	0.9
331.22900	2.1
339.23322	1.5
357.24551	2.4
375.25418	4.8
393.26462	58.6
394.26700	6.3
453.12219	1.2
453.29840	17.2
454.30188	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	453.3372
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
54.64751	0.2
56.61532	0.3
57.21542	0.2
64.93095	0.2
97.06551	0.3
98.20668	0.6
119.42381	0.2
123.77525	0.2
200.39716	0.2
279.23331	0.5
345.11682	0.2
405.31769	0.4
407.33078	1.2
422.20538	0.3
453.33719	100.0
454.34052	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	454.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
61.98830	100.0
71.01357	0.5
71.05017	2.4
71.31579	0.4
71.53094	0.8
73.02942	0.8
104.50883	0.5
125.02493	0.7
145.70430	0.6
169.01466	0.5
187.11414	0.6
189.12904	1.4
371.26004	1.2
383.25995	0.6
424.29736	0.7
437.30670	5.1
454.30515	9.2
455.31815	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	455.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36103	0.8
52.22768	0.8
55.01861	1.0
59.01390	4.4
65.03954	1.6
67.01894	1.9
69.03441	2.5
71.01382	6.1
73.02927	1.1
75.00864	1.5
79.01899	1.9
81.03438	3.2
83.01384	1.4
83.05010	3.0
85.02949	3.2
87.00866	1.7
89.02438	2.4
93.03455	8.5
95.01384	4.4
95.05016	6.3
96.96022	1.0
96.99303	1.0
97.02945	16.5
99.00858	1.2
101.02423	3.0
107.01389	10.5
108.91711	1.0
109.02957	14.2
111.00869	1.5
111.04489	3.9
113.02428	3.8
116.92850	1.2
119.05029	2.9
119.24942	1.0
121.02937	5.6
123.00886	25.8
124.01608	1.4
125.02451	44.4
126.02782	1.6
127.57599	0.9
129.01921	2.1
131.07085	1.7
134.81001	0.9
135.04509	1.8
137.02446	9.8
139.00368	7.9
139.04025	6.1
140.01143	1.9
141.01947	9.3
145.02834	1.2
151.00383	15.4
151.03929	1.2
153.01907	2.7
155.03474	1.0
161.02400	2.9
161.04510	1.6
163.04019	3.1
165.01942	8.9
167.03462	2.1
168.00659	5.0
169.01416	75.2
170.01736	2.9
173.04559	0.8
173.21201	1.0
179.03552	1.2
183.02982	12.4
184.63731	1.0
191.05638	2.7
193.01372	2.8
195.02940	1.3
211.02510	14.1
213.04089	1.6
221.04149	0.9
222.32523	1.0
247.02377	2.4
248.02773	2.4
249.02878	1.5
251.05585	1.4
253.03581	1.4
273.00330	1.5
275.01886	1.2
288.71109	1.0
293.15845	1.2
300.99902	2.1
302.00339	0.9
313.05728	8.7
331.06750	7.0
392.03790	1.3
392.54163	1.3
395.06052	2.5
446.83618	0.9
455.08231	100.0
456.08398	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	453.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04638	0.5
59.01367	1.4
66.69473	0.5
67.01881	0.6
67.63109	0.5
69.03442	0.9
69.54260	2.6
69.54672	1.0
71.01394	3.7
72.99301	1.3
73.02934	1.4
75.00864	5.0
79.01855	1.3
80.77991	0.5
83.01376	1.7
85.02943	2.1
87.00858	0.7
89.02441	0.7
93.03432	0.5
95.01369	2.5
97.02956	1.5
99.00826	0.5
100.11795	0.5
101.02444	2.7
107.01386	8.3
109.02901	0.9
110.00059	0.7
111.00873	4.2
113.02429	2.2
117.34040	0.5
123.00880	21.1
123.04502	0.5
124.01667	26.0
125.02446	39.5
126.02746	0.7
127.00367	1.9
135.04489	0.6
136.98788	2.4
137.02422	1.9
138.03206	1.4
138.94916	0.5
139.00368	6.4
139.03055	0.7
139.04007	8.6
140.01151	5.1
140.04253	0.6
141.01918	1.8
151.00356	8.0
151.03958	0.7
153.01942	1.1
159.04520	0.8
161.02428	0.9
165.05568	0.7
166.02682	1.3
167.03513	1.0
168.00650	7.5
169.01411	43.4
170.01738	1.4
179.03450	1.2
181.04982	1.3
183.03000	4.7
199.03940	0.5
201.01968	0.5
211.02460	1.2
215.03413	1.4
225.04001	0.8
229.01378	0.5
241.03403	0.9
247.02496	1.8
273.00131	1.1
275.01947	1.1
285.06134	1.2
289.06973	0.8
297.06046	2.3
298.48111	0.6
300.99811	2.1
313.05630	6.8
314.06387	0.5
317.52771	0.5
327.07144	1.8
391.53162	0.7
453.10278	100.0
454.10641	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	453.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57113	8.4
56.65546	8.6
58.27855	8.1
59.01388	57.4
61.98825	11.1
64.76804	8.4
69.09395	9.0
69.19850	51.9
69.20264	32.6
71.01379	11.0
83.86543	8.6
85.02937	10.5
87.04542	21.3
109.02991	8.5
125.02416	13.7
131.90569	9.1
133.02914	9.9
137.02484	15.5
161.02470	12.3
177.03952	15.3
187.64400	10.6
215.67233	8.1
299.99081	18.0
308.67197	8.8
324.53171	9.2
453.00745	14.5
453.17236	11.2
453.22635	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	453.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47848	9.3
59.01370	42.6
61.13893	9.3
61.98826	100.0
62.34936	10.1
69.28488	26.9
69.28902	56.0
71.01375	11.3
85.02947	9.3
98.20663	22.2
104.15043	10.6
106.93639	9.7
145.02974	30.3
161.02438	13.8
177.04008	16.9
181.74947	9.1
182.18326	11.7
229.05058	10.3
273.03915	21.2
299.98965	17.0
301.03375	11.4
317.02908	32.4
322.48444	9.6
332.87103	10.3
453.07739	14.2
453.22507	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	453.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01197	0.6
59.01469	1.7
69.55252	3.6
71.01445	1.1
73.45238	0.5
75.00979	1.9
95.01442	1.1
96.96117	0.7
101.02539	0.6
107.01422	0.8
109.03072	0.6
109.92162	0.5
111.00954	0.8
117.03587	0.6
119.05122	0.8
121.03009	0.8
123.01012	2.3
124.01772	2.1
125.02453	5.5
133.03085	0.7
135.04579	0.9
135.70714	0.5
137.02528	0.9
139.00555	1.0
139.04131	1.5
142.71315	0.4
145.03078	1.9
147.04616	1.6
151.00475	0.8
159.04564	0.6
161.02528	2.2
163.04111	1.8
165.02036	0.5
168.00710	0.8
169.01396	5.1
169.02577	0.4
173.02423	2.8
174.03168	0.6
175.04089	1.6
179.03629	0.7
187.04086	1.4
189.01878	2.5
189.05711	0.8
190.02727	4.1
191.03523	5.1
198.73346	0.5
199.03976	0.6
201.01979	2.6
203.03645	0.9
211.04121	0.6
215.03596	1.7
217.01390	10.7
218.02144	4.4
219.02945	3.3
225.11401	1.4
229.01447	1.3
231.26593	0.6
245.00859	9.6
246.01656	15.1
247.02454	100.0
248.02766	5.0
252.00092	0.6
254.32721	0.6
258.01538	0.5
273.00397	25.3
274.00745	1.9
275.01993	0.7
289.07211	1.1
291.01447	6.7
300.99835	2.5
313.05374	1.2
333.02435	1.0
348.37888	0.5
373.14944	1.5
382.02332	0.8
409.07764	10.0
410.07898	1.1
453.06143	23.9
454.06628	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	453.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80227	0.5
59.01455	2.1
69.03508	0.7
71.01435	1.5
83.01447	1.4
85.03007	1.3
89.02513	0.9
89.93161	0.5
92.53017	0.6
95.01488	6.5
96.96075	0.9
97.02995	0.6
99.08471	0.5
99.92658	0.9
101.02480	0.7
106.04318	0.7
107.01489	1.8
109.02988	1.0
111.00963	2.4
115.92147	1.5
117.03534	1.1
119.05125	1.4
121.03010	1.1
123.00894	15.4
124.01738	2.7
125.02447	13.0
126.02902	1.1
129.03505	0.8
131.05083	0.8
133.03052	2.1
135.04605	1.9
137.02528	1.5
139.00449	2.6
140.01212	1.0
145.02971	5.8
147.04459	3.0
149.02527	1.7
151.00449	0.9
154.02852	0.7
157.02965	0.7
159.04645	1.2
161.02434	3.2
162.03239	1.3
163.00412	1.1
163.04008	3.4
165.01956	0.9
166.02840	0.7
167.00096	0.9
168.00714	1.2
169.01457	9.3
172.01598	0.9
173.02402	4.8
174.03224	1.3
175.00392	0.9
175.04019	3.5
176.01227	1.7
177.01909	3.5
179.03525	1.4
181.01472	0.8
185.02425	1.2
187.04089	1.4
189.01944	5.1
189.05466	0.7
190.02708	13.7
191.03513	16.2
191.05324	0.6
193.01506	0.7
195.06375	0.7
200.01283	0.6
201.01929	4.9
202.02650	0.7
203.03427	4.0
205.01442	2.4
209.00906	1.0
213.01920	0.9
215.03485	1.0
216.00551	1.0
217.01422	13.1
217.04926	0.9
218.02184	9.8
218.97511	1.2
219.02969	13.1
221.01021	1.0
222.01793	1.9
229.01427	12.5
230.01839	1.3
231.02950	3.1
233.04668	0.7
235.02528	1.2
242.02194	0.7
243.03033	1.4
245.00905	8.6
246.01686	27.3
247.02461	100.0
248.02824	6.3
249.03969	1.6
257.00897	2.3
258.01544	1.3
259.02408	1.3
261.03958	1.7
262.96460	2.1
263.02008	1.6
273.00406	14.4
274.00943	1.8
275.01959	9.2
283.99561	1.1
287.01785	0.6
289.03595	3.3
291.01431	6.5
291.08621	1.4
299.99078	1.5
300.99881	20.5
302.00101	2.1
305.03018	1.1
313.05518	0.7
333.02557	3.4
362.02518	2.3
363.03354	0.9
368.02548	0.8
376.02536	4.0
376.52481	1.8
377.02640	1.0
381.01575	1.0
381.51843	2.4
382.02234	2.4
390.02002	1.6
390.52673	7.3
391.03027	17.2
391.53238	5.2
392.03537	1.1
393.04199	2.1
394.04837	0.8
409.07742	27.3
410.07761	2.3
425.07077	1.0
435.65726	0.8
453.06277	44.1
454.06546	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	453.013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.5
63.29397	0.9
70.51875	0.9
71.01381	2.6
71.52012	1.5
72.99299	1.2
73.02959	1.0
75.00883	2.3
83.01389	1.0
85.02945	2.7
93.03434	1.4
95.01374	2.4
96.95984	1.7
97.02945	1.1
98.95589	4.3
99.92583	29.6
100.92688	1.8
100.93355	5.3
107.01387	1.9
109.02920	1.6
111.00830	2.2
115.92078	44.2
116.92071	3.1
116.92850	5.6
117.03477	1.4
119.05009	1.5
123.00877	11.5
123.04482	1.2
124.01633	3.3
125.02464	15.0
133.02957	3.2
134.03717	6.3
135.02998	1.8
135.04547	10.7
136.98808	1.3
137.02432	2.6
139.00357	2.7
139.03979	1.2
140.01192	1.0
141.29784	0.9
145.02962	4.9
147.04518	2.1
150.13158	0.9
151.00362	1.7
151.03923	1.1
159.04503	1.9
160.01645	1.0
161.02411	6.0
161.04430	1.2
163.04071	2.2
165.01872	1.1
166.99849	1.6
168.00572	1.0
169.01451	14.6
173.02458	5.1
175.03961	2.0
177.01839	1.8
179.03462	8.3
181.06870	0.8
185.02490	1.0
187.03943	1.7
189.01945	6.6
190.02666	4.4
191.03455	8.7
191.05559	3.3
193.06152	1.9
201.01901	3.8
203.03456	4.3
205.01300	1.0
210.97090	1.9
215.03448	1.8
215.95224	2.8
216.95897	2.0
216.99408	1.8
217.01401	24.2
217.96732	10.5
218.02107	4.1
218.97533	41.8
219.02914	3.7
219.97641	2.8
221.96378	1.1
225.11391	2.3
229.01448	6.4
230.02054	1.8
231.94688	1.6
243.02985	1.6
244.95401	3.4
245.00877	28.5
246.01678	7.4
247.02460	97.3
248.02791	4.0
249.03938	1.4
257.00766	1.7
261.95734	1.3
262.96515	100.0
263.96658	10.5
273.00385	68.8
274.00864	4.8
275.01886	4.2
289.07120	2.0
291.01468	40.8
292.01556	2.0
300.99881	9.2
307.08063	1.8
313.05936	1.3
333.02451	7.7
337.07025	1.8
373.00195	9.9
373.14816	2.3
377.03107	3.2
382.02252	1.4
386.72305	1.0
390.52695	2.9
391.01215	44.2
391.53455	1.1
392.01709	5.4
409.07840	6.7
435.00201	2.1
453.05298	17.0
453.10883	8.7
453.34845	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	453.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44468	0.5
56.66800	0.5
57.00494	0.5
59.01415	0.6
59.18810	0.6
69.27586	1.7
69.28001	3.4
71.01442	0.6
93.03468	0.6
95.01389	1.3
98.20639	1.4
105.75774	0.6
106.04268	0.7
107.01377	0.6
113.02518	0.6
115.92075	0.8
117.03574	0.6
121.02998	0.6
123.00858	2.9
124.01691	1.0
125.02466	2.8
133.02959	1.2
133.10217	0.6
144.38599	0.6
145.02992	1.6
146.03751	0.7
147.04530	1.7
156.61208	0.5
161.02544	0.8
163.04028	0.9
165.01947	0.6
169.01443	3.5
173.02409	2.2
175.03972	2.9
177.88298	0.6
189.01877	2.9
190.02713	16.9
190.04384	1.0
191.03461	5.8
201.01968	1.0
203.03452	3.2
217.01407	15.4
218.02176	16.4
218.97485	1.1
219.02901	3.5
229.01353	1.2
245.00876	1.4
246.01669	61.1
247.02438	100.0
248.02818	5.6
262.96420	1.5
273.00375	2.7
275.02017	1.6
291.01517	1.5
291.08664	1.9
300.99805	2.8
341.61063	0.6
376.02451	0.9
386.42645	0.7
390.52664	0.7
391.02618	2.0
409.07727	58.0
410.08096	5.0
453.06516	30.0
454.06726	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	0.9
59.01376	9.5
60.01719	0.7
61.01813	1.1
61.98830	100.0
69.03508	0.6
69.51549	1.3
69.51952	3.0
71.01381	2.9
73.02937	1.1
80.31540	0.6
83.01370	1.0
85.02956	1.2
89.02448	1.5
93.03463	7.1
94.03806	2.3
95.01381	0.8
97.02990	0.7
98.20657	0.8
99.00900	0.5
101.02438	2.1
107.01411	1.3
108.02176	2.4
109.02994	5.0
110.03259	1.8
111.00894	1.1
113.02482	1.3
119.05033	0.7
123.00885	2.8
123.04565	0.6
125.02445	9.5
126.02813	3.0
133.03024	1.1
135.02962	1.1
135.04523	2.3
137.02444	11.9
138.02792	7.2
139.00362	1.5
151.00389	2.1
152.01129	3.7
153.01982	5.6
154.02275	3.4
161.02419	1.9
161.18240	0.6
165.01921	0.8
166.99905	0.8
167.03421	0.7
169.01411	12.0
170.01744	3.8
173.02393	0.7
177.02010	0.9
177.05673	0.6
179.03470	3.7
180.03957	1.1
191.03537	0.6
199.04047	0.8
205.01273	0.7
211.02448	0.6
215.03493	0.9
217.01425	0.8
219.03014	0.7
221.36360	0.6
229.01414	0.5
240.05865	0.7
245.00984	1.0
246.01712	0.6
247.02487	2.1
257.00909	0.5
257.04388	0.5
259.90900	0.6
273.00476	1.2
275.02039	0.7
297.06238	0.6
298.06461	1.2
299.07315	0.5
300.08057	1.1
300.99869	1.1
313.05560	3.6
314.05957	6.8
334.67853	0.6
335.07419	0.9
337.07208	0.7
353.64346	0.7
362.52463	0.8
392.22537	1.2
408.10223	3.4
452.03574	1.2
452.09033	25.8
453.04041	0.8
453.09555	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	452.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01379	8.8
60.01709	1.3
60.22269	0.9
61.98832	100.0
64.95239	0.9
69.38415	6.8
71.01386	4.4
72.99336	1.4
73.02922	1.5
81.09757	0.9
81.30524	0.9
81.49531	1.2
82.33798	1.0
83.01385	2.2
83.36674	0.9
83.85970	0.9
85.02974	1.8
89.02443	3.1
93.03469	4.2
94.03783	1.1
95.01394	2.1
98.19861	2.1
101.02475	1.3
103.15617	1.1
107.01376	3.6
109.02945	5.0
111.00883	1.5
119.05003	2.1
123.00874	3.0
125.02439	13.0
126.02766	3.3
127.04002	1.5
135.03012	1.2
135.04488	2.7
137.02464	7.6
138.02785	2.7
139.00371	2.5
143.03482	1.1
145.02908	1.6
148.05034	1.2
151.00357	9.6
152.00726	4.2
153.01917	4.5
154.02310	1.9
161.02441	4.7
165.01962	1.2
166.99854	1.0
167.03494	1.6
169.01407	8.5
170.01778	2.7
179.03539	4.8
180.04048	1.6
187.09761	1.6
189.01956	1.6
190.02635	1.3
191.03481	2.4
193.01491	1.1
195.03163	1.4
195.05045	1.2
195.06670	1.2
196.03282	1.7
201.01884	1.3
201.05547	1.3
203.03709	1.1
215.03339	1.4
217.01393	1.8
219.02969	1.8
225.07678	1.3
229.01482	1.6
229.05093	2.7
231.02899	1.0
245.00935	2.1
247.02489	6.7
255.05103	1.2
261.00439	1.2
274.07144	1.2
300.99963	1.2
313.05606	1.8
314.06061	2.7
336.15085	0.9
352.65274	1.0
362.02646	1.4
392.22766	1.7
452.03180	2.9
452.09036	29.9
452.25711	2.6
452.53232	2.1
453.09067	2.5
453.14661	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	452.2781
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
52.12756	0.1
59.39830	0.1
62.96398	0.3
66.91687	0.1
78.95902	18.1
90.59211	0.1
98.19826	0.2
104.22943	0.1
122.00141	0.7
124.58786	0.1
134.98509	0.3
140.01184	5.2
152.99614	1.3
166.02713	0.3
196.03790	9.7
197.04172	0.2
204.48448	0.1
214.04875	2.0
229.74484	0.2
233.27541	0.1
245.73097	0.1
255.23271	100.0
256.23615	8.0
452.27795	24.6
453.28085	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	451.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96409	0.3
65.32420	0.3
71.52147	0.5
74.49403	0.3
78.95904	16.2
82.59767	0.3
85.12855	0.3
104.97479	0.5
110.98528	10.2
141.34604	0.3
154.61700	0.2
167.01137	12.8
185.02196	2.4
226.44058	0.2
230.37379	0.3
269.24918	1.8
283.26398	100.0
284.26755	9.1
284.99942	0.2
318.82938	0.3
337.31711	0.3
450.99301	0.3
451.28244	21.6
452.28604	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	452.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.9
61.98829	100.0
69.40113	8.2
69.40521	3.6
71.01378	2.7
85.02989	1.5
89.02469	1.6
93.03435	4.2
101.02402	2.1
113.02457	1.6
119.94816	1.4
137.02422	6.1
138.02800	2.6
139.11223	1.5
165.12787	6.1
183.13892	13.0
227.12886	32.6
299.99124	2.4
342.46774	1.4
389.18027	4.6
451.99973	2.3
452.20139	13.1
453.00543	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	451.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20878	0.9
55.01878	4.6
57.03429	3.1
59.01379	36.1
61.98815	1.1
69.81320	1.7
69.81726	3.7
71.01382	48.4
72.99309	2.6
73.02949	24.8
75.00876	1.2
79.47485	0.8
83.00918	1.2
83.01385	13.3
85.02455	1.8
85.02954	26.9
86.00101	3.0
87.00869	2.9
89.02445	9.2
95.01384	3.5
95.41963	0.8
97.02965	2.4
99.00881	14.7
101.02442	48.5
103.49357	1.0
111.00880	2.3
113.02454	19.0
125.02415	2.9
129.01871	1.4
131.03464	1.5
143.03511	1.1
159.02946	3.4
161.04532	15.3
163.66634	1.1
172.34694	1.2
249.30431	1.0
285.00470	2.0
287.65967	1.0
319.21231	71.8
320.21579	4.6
407.86154	1.0
433.33218	2.2
442.14368	1.0
450.99295	8.2
451.25400	100.0
452.25702	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	451.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
57.03433	4.2
58.00592	1.3
59.01380	36.8
59.55156	0.8
61.98812	1.5
71.01382	51.1
71.78406	0.8
72.99303	3.5
73.02944	30.9
75.00838	1.1
75.36063	0.8
83.01384	17.6
85.02457	1.7
85.02952	27.1
86.00077	2.6
87.00865	3.2
89.02449	10.9
91.78420	0.9
95.01369	4.0
97.02924	2.3
98.19867	2.4
99.00883	14.2
101.02442	56.5
111.00888	1.9
111.72034	0.8
113.02448	22.3
119.03437	1.7
120.93443	0.9
120.99591	2.0
125.02422	2.4
129.01898	2.1
131.03482	2.5
143.03459	2.8
159.03008	4.6
161.03270	1.2
161.04559	20.8
184.93684	0.9
191.05585	1.8
194.04573	0.9
226.99812	1.4
254.99217	1.2
285.00412	1.8
285.04239	1.1
319.21231	79.7
320.21515	6.3
323.01947	1.0
363.20172	1.5
450.99445	12.0
451.25366	100.0
451.99774	1.5
452.25638	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	451.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98809	4.1
67.99003	1.5
69.94666	7.1
71.01375	10.7
73.02943	9.2
77.20744	1.4
83.01356	3.1
85.02927	3.4
89.02443	6.7
95.00742	1.3
95.01410	1.7
101.02446	9.7
108.02175	1.4
109.02993	2.1
110.10519	1.4
113.02438	9.6
119.03476	2.6
119.06834	1.3
121.02942	2.4
125.02462	8.0
135.02997	2.4
137.02452	7.9
153.01923	5.6
161.04564	4.3
168.17957	1.3
169.01398	6.0
187.13370	6.0
231.91669	1.4
280.82999	1.4
313.05682	3.2
331.17618	17.5
348.29407	1.5
349.18527	11.0
391.19690	14.7
451.08856	11.2
452.09048	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	451.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.3
57.03444	4.1
58.00615	2.5
59.01379	47.9
60.01743	0.5
61.98835	1.2
67.50670	0.5
69.03478	1.5
69.36938	4.1
71.01380	49.7
72.01775	0.6
72.99305	3.6
73.02946	24.9
73.03345	1.2
75.00903	0.6
78.95908	1.1
81.03463	0.7
83.01390	14.9
83.01879	0.8
85.02950	32.9
86.00085	2.7
87.00866	4.3
87.04539	1.0
89.02447	10.4
95.01383	3.5
96.96086	0.5
97.02979	1.9
98.19933	1.3
99.00878	8.7
101.02441	60.2
102.02822	1.2
103.04017	4.7
111.00910	2.5
113.02451	22.0
114.91122	0.5
115.04032	1.0
119.03493	2.7
125.02489	2.2
127.04088	1.2
129.01952	1.3
131.03546	1.0
133.02919	1.3
141.12761	0.6
143.03485	3.5
145.05103	1.6
149.79735	0.5
159.03001	3.9
159.04222	0.7
161.04558	25.5
162.04988	0.6
163.06174	2.3
183.15514	0.6
205.03513	1.1
205.07179	1.4
245.00635	0.7
282.98914	0.9
285.00565	0.8
287.18713	1.0
305.19684	100.0
306.20026	7.3
309.25452	0.6
349.18634	1.1
354.09586	1.9
411.00565	0.6
450.99280	5.5
451.25424	43.1
452.25879	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	451.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
59.01377	15.1
61.98829	1.2
62.34929	0.4
65.00346	0.4
68.99808	0.5
71.01383	5.1
73.02956	1.5
75.00880	0.3
77.93176	0.3
79.01907	0.5
81.03457	1.0
81.53717	0.3
83.01402	1.2
85.02962	2.6
87.00886	0.6
89.02454	1.6
91.01914	0.4
93.03461	6.2
95.01379	2.2
96.99357	0.5
97.02979	0.6
98.19856	0.9
99.00866	0.5
101.02451	3.6
107.01370	2.9
108.01576	0.4
108.02174	35.3
109.02957	46.2
110.03289	1.1
111.00903	1.1
113.02457	3.3
119.03477	0.5
121.02953	0.8
123.00894	3.7
123.04529	1.0
124.01657	0.6
125.02444	8.3
133.02966	0.5
135.00914	1.1
135.03041	0.6
135.04480	0.8
136.01669	0.7
137.02443	11.2
139.00359	1.1
143.03491	0.6
149.02530	0.5
150.03250	0.4
151.00401	1.9
151.04018	1.6
152.00183	0.8
152.01149	46.9
153.01936	53.7
154.02235	2.0
156.54939	0.4
161.04562	0.6
163.04015	1.2
165.01950	1.0
167.03510	0.8
168.00626	0.4
169.01405	9.4
177.01871	0.5
178.99910	0.6
179.03474	2.2
180.03877	0.4
195.02954	2.0
203.33626	0.4
207.03027	0.6
210.17841	0.4
211.02438	1.0
225.04013	1.0
229.33899	0.6
237.03978	0.5
239.05705	0.6
255.05188	0.7
262.55542	0.3
265.20331	0.4
281.06653	0.6
297.06125	9.7
298.06433	0.7
299.07770	0.7
313.05646	6.9
315.07227	9.2
316.07343	0.4
331.17609	0.7
349.18527	1.4
355.77219	0.4
391.19775	1.1
407.09824	15.8
408.10126	1.3
433.07593	1.6
451.08774	100.0
452.09113	12.0
452.15344	0.4
472.77737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96594	1.2
53.77619	1.4
57.03445	1.5
57.16061	1.5
59.01379	100.0
61.98829	2.4
69.44922	10.3
70.89738	1.3
71.01379	11.9
73.02945	8.1
78.48464	1.2
81.07094	1.6
85.02962	3.6
87.00854	1.5
89.02451	8.4
93.03444	8.2
95.01420	1.5
98.19945	3.3
99.00871	1.8
101.02435	10.0
107.01368	3.5
108.02174	4.6
109.02947	4.6
111.00887	1.9
113.02464	9.4
119.03500	4.3
121.02960	1.7
123.00896	2.6
125.02446	13.6
127.00333	1.9
135.03033	2.7
137.02434	15.6
151.00439	2.2
152.01190	6.5
153.01990	6.3
161.04529	4.2
168.00674	2.1
169.01414	14.2
179.03401	1.8
179.05733	1.5
187.13345	6.1
247.02316	1.5
289.05325	1.4
300.99832	1.7
313.05576	8.8
331.17554	15.0
349.18588	14.1
391.19687	12.6
399.18155	1.5
407.09698	4.2
450.99503	2.2
451.08685	21.2
451.14294	1.7
452.08990	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	451.1245
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.31658	0.6
53.32634	0.6
57.03434	2.1
59.01381	4.0
61.98832	6.0
62.40675	0.6
69.70994	1.3
69.71387	1.5
71.01369	1.3
72.99307	0.6
79.07133	0.6
81.03455	2.4
83.01392	3.4
85.02960	1.4
86.23183	0.6
87.00874	0.6
89.02433	0.9
93.03474	3.4
95.01380	2.2
95.05054	2.9
96.96014	18.3
97.02964	5.3
99.04563	0.7
101.02467	0.9
106.24906	0.6
108.02139	0.8
109.02955	20.0
110.03402	0.6
111.00894	4.4
117.03468	0.6
119.05054	1.0
121.02959	4.3
122.03706	0.8
123.00874	2.4
123.04530	13.5
125.02450	18.6
133.02980	0.9
135.00766	0.6
135.02937	2.1
135.04510	2.4
137.02443	19.7
138.03120	0.6
139.00362	5.4
139.04008	3.0
141.47176	0.5
145.02919	3.0
146.03763	0.6
147.04520	1.0
149.02434	5.3
150.03242	1.0
151.04007	9.0
159.04509	3.4
160.05273	1.1
161.02432	8.5
161.04852	0.6
161.06047	4.3
162.03156	1.8
163.03978	4.1
164.01205	3.7
165.01942	7.1
165.05377	0.6
167.03484	2.2
169.01434	2.9
173.02429	1.1
173.06033	0.8
174.03201	0.6
175.04002	2.6
175.07623	1.9
177.01973	0.7
177.05554	1.0
179.03476	5.6
179.05638	0.8
181.05031	1.4
185.06053	0.9
187.04036	4.1
188.04793	3.1
189.01997	3.2
191.03751	1.6
191.05600	20.8
192.06004	1.0
201.01857	1.4
201.05492	0.6
202.06332	2.2
203.03508	1.4
203.07133	12.6
204.07458	1.2
205.05031	8.3
217.01456	1.6
217.04799	0.8
219.02858	0.9
221.08157	2.6
226.06329	1.2
227.07065	1.9
229.01445	1.9
231.02928	1.7
241.08589	1.2
245.00867	1.6
245.08150	15.1
245.10646	0.8
246.08527	0.8
247.02490	2.2
247.06000	1.0
257.00806	1.7
261.00577	0.8
271.06155	0.9
273.00372	1.5
275.02032	1.7
289.07175	100.0
290.07492	9.2
299.07922	0.7
300.99866	5.4
313.07214	1.3
353.08612	3.1
382.02530	0.9
451.05576	0.7
451.12936	6.9
452.13181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1244
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.52186	0.8
57.03441	2.9
59.01374	5.0
61.14475	0.7
61.98837	0.9
69.03474	1.1
71.01382	3.2
75.00880	1.4
79.85922	0.8
81.03470	3.0
82.52505	0.8
83.01390	3.3
85.02956	2.8
89.02457	1.7
93.03440	3.6
95.01385	2.0
95.05013	1.8
96.96014	24.8
97.02937	5.5
107.01382	1.0
108.02166	1.2
109.02950	19.3
111.00867	2.3
113.92619	0.8
114.29128	0.7
115.92101	1.7
116.92896	1.0
119.05027	1.0
120.99670	1.6
121.02956	6.3
123.00868	2.4
123.04522	13.6
125.02444	21.1
127.00417	0.9
127.07686	1.0
133.02953	1.5
135.03015	2.4
135.04483	1.9
137.02440	12.3
138.02812	1.1
139.00392	4.1
139.03990	2.7
141.21817	0.8
145.02943	2.3
146.03757	1.4
147.04480	0.8
148.61252	0.8
149.02423	6.2
150.03152	1.2
151.04004	7.6
159.04497	2.6
160.05197	1.1
161.02466	5.0
161.06078	3.2
162.03198	1.9
163.00241	1.0
163.04002	2.0
164.01195	1.9
165.01932	3.6
167.03514	4.0
169.01445	6.2
173.02403	1.0
173.06082	1.6
175.04008	2.6
175.07645	1.7
177.01865	1.8
177.05539	1.0
179.03496	7.0
187.03969	4.4
188.01106	1.7
188.04755	3.9
189.01903	1.9
191.03760	1.5
191.05603	35.8
192.06049	0.9
199.04059	1.1
201.01987	0.9
201.05521	1.6
202.06477	2.2
203.03474	2.0
203.07106	10.6
204.07552	0.9
205.01389	0.9
205.05040	8.2
216.98022	1.0
217.01353	1.1
221.08160	2.3
227.07100	2.2
228.94356	0.9
229.01375	1.7
229.04948	1.2
231.02948	1.4
245.00888	1.1
245.08183	16.6
247.02452	1.8
247.06172	1.2
257.01041	1.2
260.97064	1.7
271.06104	1.5
275.01990	1.7
289.07175	100.0
290.07489	8.0
298.98260	1.0
300.99725	5.7
313.06738	1.4
316.61597	0.9
353.08694	6.4
376.02380	0.9
408.79294	1.0
450.99292	1.9
451.11816	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	451.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02076	0.5
58.23088	0.4
59.01378	3.9
61.98814	1.9
66.24027	0.4
67.05099	0.4
67.10051	0.4
68.99807	1.1
70.62344	0.4
71.01381	1.6
71.53353	0.6
81.03452	0.6
83.01381	0.8
85.02949	1.4
89.03954	0.8
93.03438	1.4
95.01379	0.6
95.05027	1.2
95.13388	0.4
97.02916	0.5
101.02444	1.3
103.05534	0.5
105.03507	0.4
107.01392	0.6
108.02167	0.9
109.02943	22.5
110.03262	0.6
111.00877	0.7
113.02426	0.4
117.03468	1.1
117.53600	0.4
119.05020	1.3
121.02944	1.2
122.06114	1.0
123.04516	12.6
125.02413	1.2
133.02959	4.2
135.04536	0.8
137.02435	1.7
138.05603	1.3
139.00334	0.7
142.35660	0.4
145.02946	3.4
147.04507	4.6
149.02504	0.7
150.03273	1.3
151.00253	0.5
151.03996	6.4
153.01967	4.3
159.04469	2.1
161.02425	7.8
161.04512	0.6
161.06075	0.7
162.03069	0.5
163.04013	2.1
168.00633	0.4
168.82841	0.5
169.01376	0.8
169.03096	0.4
172.05302	1.7
175.03996	1.4
176.01140	1.0
177.01923	26.9
178.02293	1.0
183.04518	0.7
187.04012	1.6
187.07632	10.8
189.01923	58.3
189.05490	4.8
190.02681	12.2
191.03481	11.6
191.05539	2.0
192.05867	1.1
193.05949	1.0
199.04152	0.7
200.04831	1.2
201.01895	0.7
203.03508	6.4
204.03941	0.7
213.05504	0.6
213.09261	1.1
215.07120	2.9
216.00624	8.3
217.01398	35.5
218.02026	3.6
219.02960	14.3
220.03316	0.8
227.03450	1.1
227.07245	0.5
228.04257	0.8
229.01450	1.0
229.08669	1.1
231.02954	10.8
231.06624	1.7
232.03528	1.6
233.04581	1.0
247.02472	2.4
257.08188	9.8
258.08585	0.5
273.00354	0.7
281.04401	0.9
285.00555	0.6
287.05322	0.5
289.07104	2.5
289.11926	5.0
297.07648	0.8
299.05591	2.7
305.04785	0.5
323.05615	1.3
333.10825	3.1
341.06625	100.0
342.06964	9.4
343.49399	0.5
349.47861	0.5
391.23654	0.5
407.13373	10.7
408.13837	0.8
451.00647	3.2
451.10367	27.0
451.16089	3.9
451.21536	0.6
452.03101	1.8
452.10837	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	451.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75459	0.7
80.64243	0.7
83.56203	0.7
89.03940	0.7
95.05031	0.8
98.20664	1.7
99.69815	0.7
101.27171	0.8
102.97072	0.7
108.02173	0.7
109.02946	25.3
109.03699	1.3
119.04997	1.2
121.02923	0.8
123.04521	12.3
133.02950	4.4
135.04533	1.1
137.02409	1.0
140.77077	0.7
145.02933	1.7
147.04472	3.6
149.02415	1.0
150.03212	1.0
151.04007	6.2
159.04514	1.1
161.02429	6.5
162.03279	3.3
163.03941	2.7
174.59535	0.7
176.01175	1.1
177.01920	27.0
178.02313	0.9
185.19902	0.7
187.04013	2.8
188.04655	1.0
189.01918	47.2
190.02727	12.2
191.03503	8.6
203.03482	4.8
216.00636	8.3
217.01398	27.6
218.02005	3.0
219.02971	12.6
222.01773	1.1
231.02959	7.5
281.04471	4.2
287.05740	1.5
289.07175	2.0
297.07721	2.1
299.05548	5.2
323.05609	1.5
341.06641	100.0
342.06952	8.4
411.28149	0.7
451.10318	22.4
452.10703	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	451.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56435	0.3
51.12924	0.3
57.03455	0.5
59.01378	10.3
59.21194	0.4
61.43607	0.3
61.98830	0.9
63.12633	0.3
67.01879	0.5
69.03493	0.3
69.49242	2.6
71.01384	3.7
72.99303	0.6
73.02953	0.8
75.00869	0.5
79.01859	0.5
80.57661	0.3
82.34865	0.4
83.01402	0.8
85.02966	1.4
89.02472	1.0
93.03457	39.1
93.46265	0.4
94.03796	1.0
95.01390	0.8
95.98956	0.4
96.96005	0.5
97.02934	0.6
99.00861	0.7
101.02439	2.3
107.01398	2.9
107.98161	0.4
109.02950	4.3
111.00850	0.5
113.02437	2.1
118.68217	0.3
118.94859	0.4
119.05006	0.6
121.02969	1.2
123.00896	5.4
123.04528	2.8
124.01683	0.5
125.02451	13.9
133.02939	1.0
135.04474	1.0
137.02443	100.0
138.02780	3.9
139.00381	1.5
140.01120	0.4
141.01909	0.6
145.02968	1.2
147.04500	1.3
149.02463	0.6
150.03174	0.4
151.00359	3.3
151.04008	4.3
153.01859	0.6
159.04549	0.4
161.02472	2.4
161.04539	1.3
162.03110	0.4
164.07123	0.8
167.03476	0.7
168.00621	0.8
169.01422	26.7
170.01804	0.6
175.04007	0.6
177.01929	4.7
179.03496	3.4
187.07623	0.6
189.01929	9.8
189.03639	0.6
190.02634	1.8
191.03496	2.4
191.05641	1.4
192.06033	0.5
193.01398	0.6
193.06039	0.9
201.01912	0.5
203.03564	0.8
209.04561	2.2
211.02444	3.0
216.00591	1.2
217.01405	6.1
217.42184	0.3
218.02101	0.5
219.02884	2.7
229.04939	0.6
231.02957	2.2
239.05556	1.4
257.08148	0.6
268.33691	0.4
271.04465	0.6
273.00232	0.5
275.02026	0.9
285.01059	0.5
285.03986	2.8
286.04318	0.5
289.07040	1.2
299.07877	0.8
300.99866	1.9
303.21646	0.6
313.05566	4.5
331.06799	4.2
341.06650	17.7
342.06985	1.3
376.04358	3.6
391.06628	0.6
425.10056	0.5
450.99826	2.2
451.08881	27.5
451.22025	1.1
452.08997	3.3
465.06674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.3
61.98826	2.4
63.17375	0.5
69.03460	1.5
69.17991	1.9
69.18402	3.8
71.01379	1.9
71.83881	0.5
73.17237	0.6
73.52122	0.6
75.00864	0.8
81.03471	0.8
83.01380	1.4
85.02937	1.4
93.03458	39.7
94.03815	0.6
95.01395	2.1
97.02939	1.3
101.02473	0.9
101.51937	0.5
107.01385	1.5
108.02156	1.6
108.78401	0.6
109.02953	3.4
110.09670	0.6
111.00890	1.0
113.02436	0.8
117.03435	2.9
119.05088	0.7
121.02964	0.8
123.00874	7.7
123.04510	2.4
124.01664	19.5
125.02453	37.4
126.02761	1.2
135.84015	0.6
136.01691	1.4
136.96130	0.6
137.02444	60.6
138.02788	2.5
139.00372	0.8
139.03938	0.7
145.02948	9.9
149.02419	1.2
149.99582	33.3
151.00369	3.0
151.03969	2.2
161.02426	1.4
161.06088	0.6
163.04041	1.8
165.01869	0.6
165.04051	0.7
167.03447	1.4
168.00641	71.5
169.01393	8.8
179.03427	1.4
183.04475	0.7
183.13893	1.3
184.14220	0.7
185.14383	0.7
187.03990	1.1
191.03273	0.7
199.00398	0.9
203.07094	1.0
205.05083	1.1
211.02478	0.9
214.99664	0.8
215.07082	1.0
223.04152	0.9
226.99873	5.2
227.03426	5.5
228.03735	0.7
230.99295	0.8
254.99316	3.5
267.02832	0.8
269.00784	0.9
279.02942	0.8
282.98715	4.1
283.99594	4.8
285.00409	11.2
285.03635	1.0
289.06982	3.5
293.01196	1.0
295.02274	0.8
299.99149	1.1
301.07208	2.8
306.01624	0.9
307.02536	0.7
310.98233	3.9
311.01706	1.0
313.05615	19.7
314.05835	1.2
321.00232	0.8
322.01199	1.2
323.01941	3.2
331.06699	36.0
332.07153	2.2
335.01978	1.5
339.01382	2.7
341.06543	1.2
349.00085	1.0
351.01501	2.4
366.00085	0.8
367.00778	1.9
375.05856	0.6
379.00800	1.0
404.98410	0.8
407.00476	1.8
439.83578	0.8
450.99350	50.7
451.08783	100.0
451.13281	3.9
451.19534	6.3
451.99878	4.6
452.09119	10.6
452.14932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41927	0.6
57.03446	0.6
59.01379	20.9
61.98815	2.0
69.03425	0.7
71.01353	6.0
73.02955	3.1
81.03462	0.8
83.01390	1.1
85.02976	3.2
85.53756	0.6
89.02419	1.9
93.03455	8.0
95.01389	1.3
96.99290	1.0
101.02426	4.9
107.01377	2.4
108.02172	27.5
109.02955	38.0
110.03274	0.6
111.00854	0.9
113.02464	2.7
116.40208	0.5
119.03445	0.9
121.02915	1.0
123.00872	2.9
123.04516	1.1
124.01672	0.9
125.02457	10.2
133.02940	0.6
135.00856	1.3
135.02972	1.2
135.04512	1.3
137.01456	1.1
137.02444	12.9
139.00311	1.4
151.00363	2.1
151.04015	1.7
152.01144	33.3
153.01933	43.3
154.02214	1.7
161.04514	1.2
163.03955	0.9
165.01849	1.0
165.52510	0.5
167.03502	0.8
169.01408	12.1
171.31709	0.6
179.03493	1.9
179.05600	0.6
187.13383	0.9
193.01396	0.7
195.03000	2.2
211.02438	1.4
225.03975	0.9
237.03856	0.8
239.05751	0.5
241.03275	0.6
248.50778	0.6
261.73883	0.6
297.06140	9.6
299.07922	0.8
313.05612	9.5
314.05978	0.9
315.07187	8.7
331.17654	1.6
349.18698	3.5
357.89209	0.7
391.19797	1.6
407.09827	13.7
408.10257	1.1
433.07712	1.0
451.08740	100.0
452.09103	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	451.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34219	0.8
59.01371	2.3
67.40292	0.9
69.03450	2.3
69.35468	3.0
69.35903	3.8
71.01368	2.6
71.66756	0.8
81.03458	3.3
83.01387	1.0
83.05029	3.7
84.61181	0.8
89.02444	1.3
90.21438	0.9
93.03450	8.1
95.01349	1.4
97.02975	2.0
101.02447	3.0
101.06981	0.8
107.01378	2.4
108.02197	1.0
109.02951	1.1
113.02416	1.3
121.02950	1.4
123.00895	6.9
124.01662	22.3
125.02443	42.4
137.02435	15.9
149.99585	37.8
151.00232	2.7
151.03986	1.0
167.03487	1.2
168.00638	65.1
169.01332	4.6
224.17635	1.3
225.15921	0.8
240.18199	0.9
281.06595	3.9
313.05591	3.3
331.06720	8.8
341.06570	1.1
349.83817	1.0
433.07452	2.6
433.32394	0.9
451.08786	100.0
451.32816	13.5
452.09186	10.1
452.33286	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	450.9942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.3
61.98831	0.7
67.92567	0.3
69.30453	0.7
69.30875	1.8
71.01389	0.8
75.00874	0.4
81.82676	0.3
85.02949	0.7
85.76521	0.2
93.03454	2.0
101.02454	0.9
109.03009	0.4
111.00845	0.5
115.92493	0.3
118.78275	0.3
123.00922	0.4
124.01674	0.4
125.02437	2.0
127.01862	0.5
131.09175	0.3
132.91417	0.3
137.02431	2.2
139.00385	1.1
145.02936	0.3
147.03148	0.3
149.99593	1.4
159.00914	0.3
164.98254	1.6
165.03946	0.5
167.05077	0.5
168.00647	2.6
169.01451	0.6
171.00906	0.6
172.01678	0.3
177.01865	0.4
183.00874	0.7
183.04459	0.4
183.13771	0.5
184.14177	0.5
185.02477	0.6
187.00360	1.0
189.01871	0.6
195.04520	1.1
199.00374	2.3
200.01175	1.2
201.01869	0.5
207.04520	0.4
211.04033	0.7
213.01924	0.4
214.99899	1.0
223.03979	1.2
226.99847	8.0
227.03362	0.5
228.00381	1.0
229.01411	0.5
230.99359	0.6
235.04059	0.3
238.02777	0.5
238.99951	0.3
239.03531	0.9
241.01396	0.6
242.99316	0.4
249.01991	0.3
250.02652	0.4
251.03523	1.5
254.99313	6.6
255.99883	0.8
257.00949	0.4
266.99408	0.4
267.02802	0.7
267.99954	0.6
269.00916	0.5
270.98853	0.6
279.02911	2.2
282.98862	9.6
283.99606	10.3
285.00400	16.2
286.00662	1.4
291.02908	0.4
293.00876	1.6
293.30807	0.3
294.01675	0.6
295.02426	2.1
297.00357	0.4
298.98355	0.6
299.99164	1.0
300.99942	0.3
305.01019	0.4
306.01685	0.9
307.02417	1.7
308.03070	0.3
309.00366	0.9
310.00909	0.3
310.98303	4.8
311.01959	1.8
313.05603	1.0
317.00943	0.3
321.00320	1.0
322.00989	1.6
323.01941	7.5
324.99875	0.6
331.06906	1.6
333.00369	0.5
335.01898	2.4
336.99936	1.0
338.00427	0.4
339.01355	5.1
341.06540	0.6
348.99969	1.8
350.00165	0.7
351.01437	4.2
352.01837	0.6
367.00964	2.6
376.99207	0.8
379.00870	2.3
384.28180	0.3
395.00272	0.9
404.98914	1.2
405.99493	0.4
407.00510	2.3
422.99750	0.5
432.98465	0.9
450.99402	100.0
451.08270	4.1
451.99774	10.5
452.06845	0.4
452.08981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64563	0.8
57.39600	0.7
59.01377	9.4
59.53981	0.8
60.01707	1.3
61.98829	10.4
64.99450	0.8
69.03456	1.1
71.01386	7.3
73.02937	1.7
81.03460	1.0
83.01378	1.4
85.02945	2.8
88.96519	0.8
89.02423	1.2
93.03456	53.1
94.03793	2.5
95.01381	2.5
97.02936	0.9
101.02441	4.3
107.01389	7.2
107.05052	1.1
109.02941	1.9
111.00868	2.5
113.02428	3.0
113.38831	0.8
123.00874	9.9
124.01644	1.3
125.02444	52.1
126.02818	1.8
135.03111	1.1
135.04521	2.3
136.01639	2.5
137.02440	100.0
138.02771	2.9
139.00359	3.7
140.01137	2.7
140.62021	0.8
141.01906	1.6
151.00352	12.1
151.03970	1.6
153.01912	3.5
161.02409	2.9
161.04544	1.1
167.03477	1.9
168.00658	2.9
169.01413	66.6
170.01738	2.9
179.03497	11.0
179.05054	1.4
209.04601	1.1
211.02454	3.7
223.02654	0.9
239.05588	4.6
241.03537	2.5
255.05083	1.3
257.92719	0.9
271.04654	1.1
281.06580	0.8
297.06271	1.3
299.07712	8.6
313.05627	65.9
314.05930	4.3
381.29993	0.8
407.09833	9.8
451.08740	71.7
452.09140	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	449.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04705	0.3
59.01376	0.6
72.37836	0.3
76.68443	0.3
78.95899	5.4
88.78076	0.3
93.52563	0.4
96.96021	0.5
98.20715	0.6
106.73391	0.4
110.98545	4.9
123.69373	0.3
152.99577	0.7
167.01128	3.6
185.02187	2.5
206.15565	0.3
229.56671	0.5
245.45613	0.4
262.04034	0.3
281.24838	100.0
282.25201	8.5
338.87830	0.3
352.14615	0.3
447.93057	0.4
449.26648	9.1
450.27222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2754
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01868	1.2
57.03432	1.3
58.00590	0.8
59.01378	16.6
60.99304	2.0
61.98835	2.0
67.01888	6.0
69.03451	1.3
69.21708	2.6
69.22121	1.3
71.01003	0.8
71.01382	11.5
71.35037	0.4
72.91740	0.5
72.99306	1.3
73.02944	3.3
75.00853	0.4
76.14277	0.4
81.03454	1.3
83.01362	2.3
85.02940	5.2
86.00107	0.4
87.00877	8.6
89.02444	2.3
93.03458	35.5
95.01373	1.4
97.02937	0.8
99.00888	1.9
99.04515	0.7
99.08144	0.5
101.02439	6.3
109.02937	0.5
111.00865	0.9
111.04528	4.8
113.02461	3.8
119.03471	0.6
121.02943	1.3
123.00859	0.5
124.01695	0.6
125.02419	2.0
129.01942	1.0
132.02232	0.4
133.02956	0.6
134.03737	4.4
135.04532	3.2
137.02399	0.6
138.29633	0.4
141.12820	0.4
143.03502	0.9
145.02957	0.7
151.04082	0.5
155.03488	1.2
159.02957	0.4
160.01646	0.8
161.02428	1.8
162.03270	3.0
169.01358	0.7
173.04550	22.9
174.05020	0.4
179.03519	1.0
183.13927	0.5
191.05615	6.7
224.96690	0.4
228.04027	0.4
269.21109	1.2
275.09109	1.9
285.20703	0.8
287.13956	0.9
287.22263	25.1
288.22552	1.5
307.08331	0.5
308.09091	1.1
331.24857	0.5
351.07251	1.1
352.08115	0.7
359.25803	0.4
387.25504	0.7
431.26535	4.6
432.26651	0.7
447.14340	0.5
449.14667	14.7
449.27554	100.0
450.14890	1.8
450.27927	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	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	1.4
59.01380	20.1
60.01700	1.3
61.01790	1.1
61.98828	100.0
67.04926	0.9
71.00816	0.9
71.01402	2.7
73.02951	1.3
75.00883	2.2
75.17848	0.9
83.01328	1.2
89.02419	2.8
93.03445	3.7
101.02420	2.3
106.72089	1.0
108.02195	1.1
109.02920	2.4
113.02436	1.8
119.03483	1.0
121.02955	5.1
125.02450	13.4
126.02779	1.3
135.03000	7.3
137.02437	9.6
151.00333	2.4
152.01151	1.5
153.01892	3.3
161.04544	1.4
169.01443	11.1
245.00879	2.0
259.06021	1.6
260.06458	3.1
269.04407	1.3
270.04745	3.0
273.00467	1.0
274.67334	1.0
288.05817	3.0
293.08694	3.0
299.07468	1.0
305.11783	0.9
313.05511	3.9
329.06317	3.7
407.09860	1.7
450.10873	4.0
451.08917	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29034	0.7
59.01378	100.0
60.01707	1.1
61.98798	1.7
66.57578	0.8
69.62572	4.7
71.01379	13.7
73.02934	2.6
75.00871	2.1
83.01385	1.0
85.02952	5.1
89.02443	9.6
93.03465	0.8
95.01383	1.5
98.19982	1.3
99.00826	0.9
101.02439	10.9
106.96693	0.7
107.01423	0.8
113.02452	6.3
119.03506	3.8
125.02406	2.6
126.13795	0.9
135.02988	7.6
148.01439	0.9
159.03014	0.8
161.04578	7.8
169.01358	1.3
179.05623	2.3
191.05582	1.9
195.06525	0.8
287.04135	3.1
320.95142	0.7
389.21790	45.5
390.22070	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	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02744	0.8
55.01870	1.4
57.03438	3.3
57.19199	0.8
59.01375	23.8
60.99302	3.8
61.98820	1.7
67.01884	8.1
68.06774	0.9
69.03458	3.2
71.01387	12.6
72.99316	2.1
73.02956	3.3
75.00873	24.9
81.03461	1.6
82.38136	0.8
83.01390	2.1
83.05038	2.0
85.02953	12.7
87.00882	15.2
89.02431	4.4
91.03955	1.1
93.03461	60.2
94.03816	1.1
98.19852	1.7
99.00881	2.5
99.04539	1.4
101.02452	9.1
105.03476	2.2
109.02944	2.0
111.00905	1.4
111.04526	8.0
113.02445	5.0
117.03499	1.5
119.03457	1.7
119.04988	0.8
121.02982	1.5
125.02470	2.0
127.04050	1.9
129.01981	4.1
132.02167	2.0
133.02972	4.9
134.03764	5.7
135.03035	1.8
135.04538	16.1
137.02484	4.6
145.02948	4.5
147.03009	12.2
151.04066	2.0
155.03497	2.3
160.01665	7.7
161.02443	2.4
161.04507	2.3
162.03239	1.9
165.04039	49.7
165.12810	6.7
166.68634	0.9
169.01422	0.9
171.02974	0.9
173.04536	35.4
174.04939	1.6
177.01997	1.7
178.02762	1.6
179.03491	3.2
180.04236	0.8
181.01433	1.1
183.13899	76.3
184.14227	4.8
191.05609	100.0
192.06007	2.1
209.11774	1.3
213.14983	4.4
227.03476	1.3
227.12825	4.9
229.08606	1.4
231.10242	3.1
240.81978	0.9
255.03079	1.0
257.03546	1.0
257.08163	9.8
275.09247	4.5
284.03137	1.1
285.03986	1.3
287.05429	2.5
287.22507	0.9
301.16544	24.7
302.16840	1.3
308.08984	3.3
313.12775	1.0
331.17532	1.0
351.07092	2.6
352.07889	2.4
407.07526	1.6
449.09839	2.8
449.14441	26.3
449.20273	25.0
449.27417	10.4
450.14709	3.1
450.20520	2.2
450.27432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.5
57.03443	1.1
59.01376	14.5
60.99303	1.9
61.98833	5.0
67.01884	3.9
69.03456	1.8
69.36947	6.0
71.01376	6.7
72.99303	1.6
73.02956	1.2
75.00875	9.9
81.03452	1.1
83.05011	1.4
84.11193	0.8
85.02950	10.5
87.00870	7.7
89.02441	3.5
91.34148	0.8
92.72403	0.7
93.03457	33.9
95.01431	0.8
99.00886	2.1
99.04519	0.9
101.02447	7.4
105.01920	1.2
109.02946	1.7
111.04490	4.2
113.02438	1.3
119.05077	1.0
125.02411	0.8
127.04011	2.6
129.01924	3.3
133.02962	2.7
134.03745	3.1
135.02983	1.1
135.04515	3.0
137.02423	3.5
139.03961	4.3
145.02943	1.8
147.02940	4.1
151.00372	0.8
152.01154	1.4
155.03522	0.9
160.01628	2.8
161.02371	1.8
162.03151	0.8
163.03932	1.1
165.04041	26.5
165.12839	4.7
167.03441	0.8
169.01289	0.8
173.04543	20.9
173.06020	1.3
174.80185	0.8
177.01952	1.5
183.13889	100.0
184.14232	3.7
189.01842	0.8
191.05598	86.4
192.05968	3.3
199.04057	1.1
200.04889	1.0
209.11806	2.7
210.03127	0.9
227.03490	0.9
227.12843	8.6
229.03963	0.9
229.08727	2.7
231.10237	2.9
256.03555	0.8
257.03827	1.0
257.08176	12.1
258.08560	0.9
261.30170	0.8
269.04590	1.6
273.02640	0.8
275.09094	4.8
285.03848	1.2
286.04120	1.5
287.05051	0.7
301.16556	41.7
302.03604	1.2
302.16919	3.3
331.04477	1.4
351.07202	1.4
389.21719	1.0
397.14813	0.8
449.09634	2.2
449.14435	12.7
449.20383	10.1
449.26007	1.1
450.14890	2.3
450.20441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.5
57.03443	1.1
59.01376	14.5
60.99303	1.9
61.98833	5.0
67.01884	3.9
69.03456	1.8
69.36947	6.0
71.01376	6.7
72.99303	1.6
73.02956	1.2
75.00875	9.9
81.03452	1.1
83.05011	1.4
84.11193	0.8
85.02950	10.5
87.00870	7.7
89.02441	3.5
91.34148	0.8
92.72403	0.7
93.03457	33.9
95.01431	0.8
99.00886	2.1
99.04519	0.9
101.02447	7.4
105.01920	1.2
109.02946	1.7
111.04490	4.2
113.02438	1.3
119.05077	1.0
125.02411	0.8
127.04011	2.6
129.01924	3.3
133.02962	2.7
134.03745	3.1
135.02983	1.1
135.04515	3.0
137.02423	3.5
139.03961	4.3
145.02943	1.8
147.02940	4.1
151.00372	0.8
152.01154	1.4
155.03522	0.9
160.01628	2.8
161.02371	1.8
162.03151	0.8
163.03932	1.1
165.04041	26.5
165.12839	4.7
167.03441	0.8
169.01289	0.8
173.04543	20.9
173.06020	1.3
174.80185	0.8
177.01952	1.5
183.13889	100.0
184.14232	3.7
189.01842	0.8
191.05598	86.4
192.05968	3.3
199.04057	1.1
200.04889	1.0
209.11806	2.7
210.03127	0.9
227.03490	0.9
227.12843	8.6
229.03963	0.9
229.08727	2.7
231.10237	2.9
256.03555	0.8
257.03827	1.0
257.08176	12.1
258.08560	0.9
261.30170	0.8
269.04590	1.6
273.02640	0.8
275.09094	4.8
285.03848	1.2
286.04120	1.5
287.05051	0.7
301.16556	41.7
302.03604	1.2
302.16919	3.3
331.04477	1.4
351.07202	1.4
389.21719	1.0
397.14813	0.8
449.09634	2.2
449.14435	12.7
449.20383	10.1
449.26007	1.1
450.14890	2.3
450.20441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.5
61.98818	1.4
62.66869	0.4
65.00314	1.2
66.51577	0.4
67.01898	0.5
69.99547	1.6
71.01372	1.0
73.02972	0.5
83.01350	0.4
83.05051	0.4
84.60369	0.3
85.02942	8.1
87.00854	1.8
87.38067	0.3
89.02466	0.3
93.03458	3.3
99.04541	0.4
107.01373	1.3
109.02930	1.3
111.04504	1.0
125.02448	1.3
127.04014	1.9
134.03778	0.4
135.04520	7.1
137.02472	0.4
145.03024	0.4
151.00360	9.9
152.00693	0.3
153.01917	0.4
159.04640	0.3
161.02452	0.9
169.01469	0.4
171.02992	0.7
172.05270	1.4
173.04539	2.2
183.04568	0.4
187.07631	11.5
188.07990	0.7
191.05602	100.0
192.05966	3.5
199.04041	1.1
200.04706	0.6
204.04330	0.5
213.09154	1.3
214.06296	0.4
215.07129	2.0
227.01648	0.3
227.03430	1.9
228.04141	1.9
229.08710	0.8
231.10234	0.6
231.93393	0.3
257.08176	13.5
258.08493	0.8
275.09305	1.4
285.03799	0.4
287.05612	6.0
289.57483	0.3
382.26370	0.4
449.09659	0.9
449.15005	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	449.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	36.0
60.01705	1.1
61.98820	2.8
65.00326	5.6
67.01875	0.9
71.01381	7.5
72.99300	1.3
73.02950	1.2
75.00874	2.8
83.01404	3.7
85.02946	13.5
87.00871	2.8
89.02451	4.8
93.03463	7.5
95.01392	1.3
97.34505	1.0
99.04533	2.5
101.02448	3.5
107.01389	14.5
109.02942	4.2
111.00867	1.8
113.02459	2.8
119.03513	2.2
119.05018	1.6
125.02457	5.4
127.04030	1.4
131.01379	1.3
134.03706	1.6
135.02917	2.2
135.04523	69.1
136.04860	3.8
137.02440	2.9
139.00366	4.1
149.04556	1.3
151.00365	84.7
152.00929	3.3
155.10811	2.1
161.02417	2.7
163.04008	2.0
165.01918	1.5
165.12799	1.3
167.03488	2.5
167.75224	0.9
169.01373	2.7
171.02788	1.0
173.04507	3.0
175.00368	5.1
177.01872	1.0
179.05573	1.2
182.99359	1.2
183.65891	0.9
187.07686	5.7
191.05608	100.0
192.05977	2.9
193.01331	1.6
199.04022	1.2
199.09802	0.9
200.28648	0.8
204.04218	1.0
207.13943	3.0
209.11789	7.8
213.09242	1.9
215.07088	2.5
215.88806	0.9
225.15024	2.5
227.03474	1.1
227.12904	0.9
229.08601	1.3
229.19589	1.1
231.10298	2.4
241.07939	0.9
247.16133	0.9
251.12872	1.7
257.08197	6.5
264.69943	0.9
269.04587	1.2
269.13934	36.9
270.14313	2.1
275.09268	2.6
281.06717	1.2
287.05606	94.7
288.05948	8.0
292.63251	1.0
389.21783	2.0
433.57953	1.1
449.10373	2.1
449.14960	1.4
449.20157	21.6
450.20557	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	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14024	0.4
59.01381	7.7
61.98824	1.2
66.65437	0.3
67.01885	0.4
70.16705	0.4
71.01375	1.6
72.99390	0.4
73.02943	0.7
75.00867	0.7
83.05048	0.5
85.02951	8.7
87.00874	2.7
89.02447	0.6
93.03451	4.1
95.01354	0.4
101.02427	0.6
109.02952	0.5
111.04539	1.0
113.02424	0.9
117.03437	0.5
119.05019	0.6
125.02438	3.5
127.04027	2.0
133.02959	1.0
135.02969	0.5
135.04533	1.5
149.02515	0.4
151.00346	0.7
151.84846	0.3
155.10783	1.5
159.04544	0.5
161.02438	3.5
161.04504	0.4
169.01378	0.7
171.03062	0.6
172.05281	1.0
173.04524	1.8
179.03505	0.9
183.04396	0.4
187.07639	6.7
188.08038	0.6
191.05603	100.0
192.05933	3.2
199.03990	1.2
199.09804	0.5
200.04672	0.5
202.06218	0.4
204.04344	0.5
213.09221	1.0
215.07111	2.1
227.03462	1.0
228.04321	1.2
229.08623	0.6
231.10254	1.1
257.08191	9.3
275.09305	0.9
287.05066	0.4
287.07883	0.9
323.07706	0.9
381.04666	0.3
389.21741	1.2
395.85468	0.4
413.14487	0.4
449.10608	1.6
449.16238	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79665	0.3
54.98030	0.4
59.01381	4.0
61.98835	4.5
69.03469	0.4
69.22813	3.2
71.01372	0.9
71.04998	0.6
73.02962	0.4
75.03725	0.3
81.03481	0.5
83.05060	0.5
85.02944	9.1
87.00877	2.4
89.02399	0.3
93.03469	3.3
97.02958	0.6
99.04542	0.4
109.02937	1.0
111.04523	0.9
125.02434	0.5
127.03967	1.8
135.04532	0.9
137.02458	0.7
139.04008	5.3
145.02892	0.3
151.00317	0.8
158.28415	0.4
159.04669	0.4
161.02423	0.4
167.98152	0.3
169.01431	0.4
171.02971	0.6
172.05281	1.6
173.04512	1.6
173.05927	0.4
183.04475	0.6
187.07651	11.8
188.07964	0.6
191.05603	100.0
192.05951	2.7
199.04015	1.4
200.04860	0.6
202.06502	0.4
204.04185	0.6
213.09230	1.2
215.07132	2.2
227.03493	2.4
228.04213	1.9
229.08734	0.7
231.10277	0.7
257.03952	0.5
257.08176	13.4
257.22357	0.4
258.08475	0.7
275.09247	1.2
285.03979	0.5
302.03122	0.6
439.92728	0.3
449.09784	1.2
449.15189	3.1
450.15097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.2
61.98821	0.7
65.00323	0.9
65.83640	0.3
67.01896	0.7
71.01376	0.9
81.03461	0.4
83.01416	0.4
83.60670	0.3
85.02953	9.0
85.32027	0.3
87.00875	1.7
93.03461	3.7
95.01405	0.3
99.04518	0.5
100.07787	0.3
101.02432	0.4
104.24756	0.3
107.01389	1.9
109.02955	1.1
111.04527	1.1
125.02439	1.1
127.04005	2.3
135.04529	6.0
143.03513	0.4
143.44836	0.3
151.00374	6.4
161.02361	0.4
171.03023	0.5
172.05310	1.3
173.04550	1.3
183.04575	0.5
187.07651	11.3
188.07997	0.6
191.05609	100.0
192.05952	3.3
199.04027	1.5
200.04805	0.6
213.09225	1.0
215.07091	2.4
227.03537	2.2
228.04272	1.7
231.06464	0.4
231.10269	0.9
257.08185	13.8
258.08429	0.6
275.09277	0.9
286.03662	0.4
287.05673	5.4
313.05786	0.4
375.62579	0.4
449.09628	1.1
449.15176	3.1
449.20706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
52.47119	0.8
57.03423	1.8
59.01381	44.5
65.00332	9.2
69.68697	5.8
71.01377	11.3
72.99309	1.2
75.00854	1.3
83.01398	4.0
85.02935	6.9
89.02447	8.2
93.03452	5.2
95.01361	1.0
99.00919	0.9
99.04538	4.8
101.02446	5.0
104.12054	1.0
107.01392	16.8
108.02148	1.4
109.02962	4.3
113.02454	4.3
119.03501	3.0
119.05048	1.4
125.02460	2.9
127.04007	1.1
133.02873	1.2
134.03763	1.4
134.48984	1.1
135.04527	77.0
136.04845	2.0
137.02429	2.1
139.00400	1.2
151.00372	87.5
152.00928	3.2
154.77896	0.9
161.02426	1.6
161.04532	1.2
165.01991	1.1
165.12830	2.8
167.03508	3.5
169.01317	1.4
173.04559	1.5
175.00377	7.1
177.01871	1.8
182.10091	1.0
187.07611	1.3
191.05623	31.4
191.07399	1.7
192.06047	0.9
193.01399	2.8
207.13837	4.9
209.11833	13.1
225.14966	4.4
231.10168	1.0
251.12903	1.7
257.08167	2.3
269.04623	1.3
269.13943	51.6
270.14328	3.6
281.06741	1.2
287.05609	100.0
288.05911	9.4
408.27289	1.1
449.10257	2.2
449.20261	41.9
450.20483	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	449.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
55.21243	1.5
57.03440	3.9
59.01376	87.1
60.01706	4.6
61.01809	2.6
61.98830	81.5
68.99797	1.5
70.85830	4.1
71.01011	2.4
71.01379	37.3
72.99303	2.1
73.02946	12.2
75.00867	5.1
81.03456	2.7
83.01385	6.2
85.02951	19.5
87.00886	2.7
89.02432	18.5
93.02864	2.9
93.03455	52.6
95.01379	4.7
96.99298	2.0
99.00875	2.8
99.04520	2.0
101.02438	27.1
104.98825	1.5
107.01353	2.3
108.02161	10.5
109.02927	9.6
113.02435	14.2
119.03499	5.2
119.04963	2.2
121.02941	6.1
122.03739	64.0
123.04536	44.7
125.02476	9.8
133.03004	1.8
135.03015	15.6
135.04512	4.5
136.01633	5.7
137.02446	100.0
138.02727	2.2
143.03473	3.0
145.02948	2.2
147.04504	2.7
149.02451	3.3
151.00328	3.2
151.03983	3.6
153.01950	2.6
159.03108	2.0
159.04384	1.7
161.02448	3.2
161.04489	7.7
163.04031	2.7
169.01382	5.5
178.99832	3.6
179.03519	3.1
187.07642	2.6
188.97807	1.5
191.03635	3.0
191.05602	24.6
214.02751	2.7
243.02948	2.3
257.08145	2.3
259.02570	3.4
259.05786	1.8
269.04562	2.0
269.13861	5.2
270.01682	2.0
271.02484	12.6
281.06650	75.0
282.07037	4.1
287.01868	5.8
297.06052	2.8
315.98639	2.4
316.02161	32.6
316.99326	7.2
317.02869	5.2
389.21689	27.2
405.11877	80.9
406.12308	8.0
431.09625	5.7
449.11652	33.8
449.20535	4.6
450.11591	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	449.1086
Annotation	SCHEMBL620954
Peak:m/z	Relative Intensity
57.03460	3.8
59.01377	50.5
61.98829	13.8
63.02401	1.0
65.00321	1.9
69.43315	0.7
70.62505	0.9
71.01370	8.3
72.54713	0.9
72.99315	2.4
73.02943	3.1
75.00872	22.0
76.84133	0.8
81.03450	2.1
83.01373	4.0
85.02964	2.5
87.00852	1.6
89.02444	10.5
93.03459	4.0
95.01391	1.5
97.02950	0.9
98.19854	1.8
99.00883	1.2
99.04530	0.8
101.02439	5.4
107.01376	5.4
109.02944	1.5
113.02444	3.1
115.03999	0.9
115.92077	1.2
117.01910	1.9
119.03527	2.2
120.99657	0.8
121.02973	1.6
123.00870	2.5
123.04527	1.0
124.01665	1.6
125.02445	31.7
127.07693	1.1
133.02945	2.8
135.02995	100.0
135.04491	9.8
136.03323	1.5
137.02475	2.5
139.00369	1.0
139.04012	0.9
148.01575	0.8
149.02429	2.1
150.03230	1.0
151.00372	10.6
152.01187	1.0
153.01929	4.0
158.03694	1.0
161.02441	5.5
161.04561	2.5
162.02812	1.1
163.00386	0.8
163.11252	1.9
165.01961	1.8
165.05519	1.1
169.01436	11.6
172.05299	2.6
173.04718	1.1
173.06058	6.1
175.04005	1.4
177.01936	1.6
177.04129	1.3
177.05588	1.5
178.99870	9.4
179.03458	3.4
179.05615	1.7
181.01436	1.1
187.07631	1.1
191.05664	1.3
193.01442	1.3
199.03864	1.0
201.05585	2.1
215.07123	8.2
231.60780	0.9
241.04968	1.7
243.06657	4.1
259.06088	61.1
260.06409	3.4
269.04529	5.5
273.07672	1.1
283.06070	10.8
287.05984	28.3
288.05966	2.2
297.06168	13.2
298.06540	1.0
300.99686	1.5
301.07114	3.3
313.06198	1.4
329.15991	1.3
331.04596	0.9
346.14517	0.8
361.09286	1.2
363.79456	0.8
386.11633	1.0
387.16360	3.8
404.54391	0.9
405.04456	1.3
421.11319	10.8
449.11526	5.5
449.20352	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26513	0.3
57.59312	0.3
59.01376	9.9
61.98829	8.6
71.01380	2.1
72.99305	1.4
75.00873	18.7
81.00152	0.3
85.02943	0.5
87.00863	0.5
89.02438	5.4
95.01355	0.3
100.32032	0.3
101.02455	0.9
107.01402	3.2
117.01952	2.1
125.02447	10.8
126.02773	0.4
127.07642	0.5
133.02948	1.3
135.02995	100.0
135.04617	2.8
136.03317	2.1
151.00356	0.8
161.02438	3.3
161.04581	0.5
169.01421	20.4
170.01741	0.4
179.03517	1.2
188.65749	0.3
205.72867	0.4
279.04980	1.6
287.04065	44.0
288.04382	2.3
297.06125	3.9
305.05087	0.7
315.98523	0.5
331.10321	0.6
366.90158	0.3
389.21841	0.8
393.01245	0.4
449.07251	6.7
450.07587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26513	0.3
57.59312	0.3
59.01376	9.9
61.98829	8.6
71.01380	2.1
72.99305	1.4
75.00873	18.7
81.00152	0.3
85.02943	0.5
87.00863	0.5
89.02438	5.4
95.01355	0.3
100.32032	0.3
101.02455	0.9
107.01402	3.2
117.01952	2.1
125.02447	10.8
126.02773	0.4
127.07642	0.5
133.02948	1.3
135.02995	100.0
135.04617	2.8
136.03317	2.1
151.00356	0.8
161.02438	3.3
161.04581	0.5
169.01421	20.4
170.01741	0.4
179.03517	1.2
188.65749	0.3
205.72867	0.4
279.04980	1.6
287.04065	44.0
288.04382	2.3
297.06125	3.9
305.05087	0.7
315.98523	0.5
331.10321	0.6
366.90158	0.3
389.21841	0.8
393.01245	0.4
449.07251	6.7
450.07587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.8
59.40332	0.4
60.01711	0.8
61.98829	100.0
67.78205	0.4
71.01378	3.5
72.99325	0.9
73.01247	0.5
73.02943	0.6
75.00880	2.4
83.01405	0.8
85.02955	1.2
87.00874	0.5
89.02435	3.7
90.02780	0.7
93.03446	3.8
94.03830	0.8
100.03997	0.4
101.02451	2.4
113.02440	1.9
119.03542	1.1
119.05014	0.5
121.02961	4.5
122.03323	1.3
123.00877	0.8
123.04570	0.8
125.02464	3.2
133.02974	1.8
135.02995	9.5
135.04520	4.2
137.02429	3.0
138.02852	0.9
149.02396	0.9
150.03189	0.5
152.01176	0.5
161.02420	4.2
161.04547	0.5
165.01959	0.8
169.01430	2.6
179.03528	0.9
179.05545	0.5
191.05681	0.5
192.28000	0.6
229.17175	0.5
249.00674	0.5
269.04630	0.6
281.06747	1.1
282.07074	2.0
285.03790	1.0
287.03958	0.7
297.06207	1.4
300.99832	0.9
313.05637	0.7
380.81683	0.5
385.11435	4.3
401.15482	0.7
402.15152	0.7
417.89050	0.5
443.01605	0.5
448.09909	3.7
449.11102	3.3
449.20276	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	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31638	0.4
56.74313	0.4
59.01377	8.2
59.29838	0.4
60.01711	1.0
61.01802	0.5
61.98832	100.0
62.25026	0.4
69.32887	2.4
69.33293	1.0
85.03025	0.4
90.61491	0.4
101.02441	0.7
125.02461	1.4
129.17865	0.4
130.31331	0.5
135.03026	1.7
161.04634	0.7
165.02100	0.4
259.06082	1.3
269.04617	1.2
287.05563	0.7
308.36508	0.5
322.26501	0.4
399.45560	0.5
449.11438	0.6
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
52.34246	0.3
54.46200	0.3
59.01380	9.9
60.01700	0.7
61.98830	100.0
69.72786	1.9
71.01387	2.5
72.99339	0.5
73.02953	0.7
75.00877	0.4
85.02962	1.0
87.00877	0.6
89.02453	1.2
93.03462	1.5
97.00288	0.3
101.02442	1.5
107.01383	0.4
113.02481	0.8
113.18291	0.3
115.04005	0.3
119.03516	0.7
125.02475	1.9
126.02842	0.4
135.02991	2.8
135.04588	0.6
137.02455	0.8
151.00310	0.4
161.04539	0.9
169.01408	2.3
170.01790	0.7
173.04555	0.5
183.10295	0.5
191.05620	5.6
191.07219	0.3
196.03256	0.3
196.27246	0.3
209.11830	0.5
215.15309	0.3
225.15067	0.4
226.15150	0.3
229.87791	0.3
252.23944	0.3
257.08258	0.8
269.04669	0.7
269.13892	1.6
275.02136	0.4
285.03839	0.7
286.04507	0.8
297.06271	0.6
300.99966	0.8
316.02393	0.5
335.25787	0.3
388.20499	0.8
389.21960	0.5
448.09555	1.8
449.20554	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	448.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.6
60.01688	0.6
61.98827	100.0
67.01889	0.4
71.01379	2.9
71.52856	0.5
71.53226	0.4
73.02940	0.5
75.00876	1.0
85.02942	1.5
87.00895	0.6
89.02450	2.2
90.02800	0.3
93.03455	1.9
99.00874	0.5
99.04556	0.4
101.02448	1.5
101.89893	0.3
113.02454	0.6
119.03481	0.7
119.04975	0.4
125.02453	1.7
126.02800	0.4
126.48185	0.3
135.02997	3.3
135.04504	0.3
137.02431	0.5
151.00385	0.6
161.02522	0.4
161.04591	1.2
162.04895	0.4
163.04041	0.4
169.01413	2.5
170.01756	0.7
179.05733	0.5
183.10287	0.7
186.59421	0.3
187.07669	0.4
191.05594	7.1
209.11871	0.5
257.08228	0.9
269.13950	2.1
271.02524	0.4
275.01974	0.7
285.03900	0.9
286.04529	0.8
297.06219	0.9
301.00082	0.9
316.02170	0.4
388.20551	0.9
389.22186	0.5
448.09705	2.2
449.20453	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24592	1.0
55.01885	6.3
57.03441	4.5
58.00589	2.4
59.01378	88.1
59.77501	1.1
60.01708	1.1
61.98820	4.1
69.03465	3.4
69.38967	4.0
69.39388	4.4
71.01381	100.0
72.01743	1.4
72.99297	4.5
73.02553	2.3
73.02945	35.6
75.00871	41.9
76.89555	1.2
81.03452	1.3
83.01391	12.8
84.76846	1.0
85.02950	39.3
87.00889	6.3
89.01933	2.1
89.02443	30.5
90.02744	1.1
95.01371	6.6
97.02955	5.4
99.00884	20.7
99.04474	1.5
101.02444	63.8
104.24211	1.2
113.02451	33.3
117.01939	1.3
119.03511	7.1
121.02941	1.3
125.02434	7.9
129.01938	3.3
131.03526	7.1
133.02950	3.2
135.04494	1.2
136.43147	1.3
143.03496	5.8
145.02800	1.3
149.04527	8.3
151.00342	3.1
159.02974	7.2
161.02563	6.0
161.04546	53.7
161.05890	2.8
162.02739	2.8
162.04906	1.5
163.00323	1.6
163.02898	1.4
165.12825	3.5
178.99846	1.7
179.05583	1.8
183.13866	17.0
191.05592	4.3
197.15538	1.7
208.17941	1.2
211.13324	2.3
219.05074	2.0
227.03505	14.9
227.12897	4.2
233.06570	3.2
237.06137	20.8
238.06241	1.3
243.02902	1.5
255.02963	21.9
256.03616	2.5
261.57843	1.1
271.02426	6.2
284.03256	17.1
285.03983	8.9
293.08878	1.6
295.02319	3.4
296.03198	1.4
300.02661	11.2
301.03482	8.8
315.18112	38.8
316.18445	2.3
389.61520	1.3
403.10367	2.0
403.19788	3.0
429.17624	3.6
447.09024	28.3
447.23087	76.6
448.09540	3.9
448.23386	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	447.2236
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
53.65020	0.8
55.01875	5.2
57.03436	3.4
59.01381	37.3
69.03466	1.1
69.37690	6.0
71.01381	74.8
72.01738	1.0
72.99316	2.1
73.02946	29.0
75.00866	2.2
83.01382	8.0
83.63650	0.8
85.02953	33.3
87.00868	4.0
89.02445	19.7
95.01395	5.0
97.02956	2.5
98.20728	1.4
99.00883	19.3
101.02444	45.6
108.02130	1.2
109.02962	1.1
111.00877	3.4
113.02448	28.8
115.07033	0.7
119.03487	2.7
122.52133	0.7
125.02452	2.0
129.01926	2.6
131.03496	3.1
143.03496	3.2
149.04584	1.5
159.03015	9.4
161.04552	41.1
189.02037	1.0
191.05629	2.5
192.79930	0.7
203.35626	0.7
207.11716	0.7
211.13338	0.8
214.02649	0.9
227.03455	1.9
229.01424	0.9
230.02013	0.8
255.02924	4.4
258.01773	0.9
259.02560	1.5
269.01068	1.0
271.02509	1.7
284.03296	2.7
285.03708	1.0
300.02762	2.1
301.03592	1.4
302.04224	0.8
315.18073	27.8
316.18411	2.2
329.02908	2.3
447.09113	5.3
447.22330	100.0
448.22617	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	447.2234
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01881	1.9
57.03447	4.6
58.00597	5.0
59.01379	100.0
61.98829	3.5
64.69498	1.4
68.90137	1.4
71.01382	71.7
71.30222	3.2
72.99294	3.8
73.02940	29.1
83.01391	3.4
85.02946	16.5
87.00875	4.6
89.02444	100.0
90.02795	1.7
95.01395	5.6
99.00880	98.4
99.77947	1.6
101.02438	31.0
113.01711	3.4
113.02453	46.5
115.83714	1.7
119.03501	16.0
125.02437	1.8
131.03497	17.6
143.03490	5.2
149.04550	57.5
160.12700	1.6
161.04565	26.6
162.03674	1.5
165.12874	2.2
179.05562	4.7
183.13873	2.7
184.19373	1.7
191.05606	53.8
198.88498	1.6
211.13382	7.0
227.03484	3.9
231.13918	1.7
233.06606	8.1
255.02998	6.4
271.02304	1.9
284.03235	7.7
285.04123	3.5
300.02838	3.5
301.03488	2.8
398.65506	1.7
431.08536	1.7
447.09354	10.9
447.22281	31.0
447.27896	2.2
448.22549	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67983	0.6
57.03462	0.5
57.36609	0.5
59.01381	100.0
60.01717	1.1
61.98833	4.6
64.53381	0.4
68.36345	0.5
71.01381	8.1
73.02956	3.6
75.00889	1.4
83.01394	1.1
85.02943	2.7
87.00886	0.9
89.02443	8.0
89.99323	0.5
93.03478	1.1
95.01434	0.5
97.02966	0.4
97.06626	0.6
98.20659	1.6
99.00881	0.6
101.02448	4.9
107.01446	0.5
108.02209	1.4
109.02966	1.3
111.00910	0.9
113.02451	4.4
117.03461	0.5
119.03490	3.2
119.05053	0.5
123.00872	0.5
125.02412	2.3
133.02969	0.7
135.03041	2.1
135.04581	0.8
137.02475	0.5
139.00372	3.2
139.03983	2.5
143.03413	0.9
145.02977	0.8
147.04468	0.5
149.02472	0.5
149.04535	0.5
149.09854	0.6
151.96173	0.5
152.01170	0.6
153.01961	2.8
159.02977	0.7
161.02470	2.6
161.04523	5.4
162.02791	0.5
163.04077	0.7
167.10847	1.2
169.01427	1.0
177.04108	0.7
179.05659	1.8
181.01505	0.5
191.05682	1.8
192.00682	0.5
197.57475	0.5
203.03526	1.0
207.13901	0.9
211.04137	0.5
211.09848	0.6
225.14990	0.9
227.03583	2.1
229.05113	1.4
231.06424	0.6
235.02536	1.4
239.03474	0.6
250.04817	1.0
255.03098	2.6
255.06862	0.5
256.03461	0.6
284.03235	5.8
285.04034	6.1
285.07352	0.6
329.12549	0.5
336.23633	0.5
350.28064	0.5
367.28778	0.5
387.20306	8.1
388.20584	1.1
403.10318	2.6
404.10321	0.6
447.09131	11.3
447.18500	1.0
448.09708	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	448.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89689	0.6
56.46360	0.5
57.50873	0.6
58.88836	0.6
59.01377	12.4
60.01711	1.3
61.98829	100.0
71.01378	3.6
71.07041	1.2
72.99316	1.4
73.02958	1.2
75.00872	4.6
75.24210	0.6
77.98991	0.5
83.01394	0.8
85.02964	1.8
89.02444	2.2
93.03432	3.0
94.03793	0.7
95.01395	0.7
96.96931	0.6
101.02465	1.7
105.38481	0.6
112.16873	0.6
113.02490	1.4
116.60250	0.5
119.03548	1.1
121.02981	3.1
122.03312	1.3
123.00888	1.4
123.04560	0.8
124.01738	0.6
125.02434	4.6
133.02930	5.2
134.03758	0.6
135.03003	14.8
135.04515	7.5
137.02454	2.3
139.85474	0.5
149.26602	0.6
150.03157	1.0
151.00406	1.1
161.02438	27.7
162.02850	1.1
165.05560	0.9
169.01408	4.5
179.03557	1.8
191.05617	0.7
192.06197	0.6
227.03476	0.7
255.03117	0.6
256.03546	0.6
259.06094	0.7
269.04639	4.3
281.06638	0.7
282.07043	0.9
285.03799	0.8
286.04623	1.3
287.04282	2.3
297.06152	1.3
301.00104	1.2
313.05743	1.6
385.11395	22.8
385.16205	1.3
386.11978	1.9
423.25665	0.7
448.09506	3.6
449.11075	4.1
449.20609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1295
Annotation	Belalloside B
Peak:m/z	Relative Intensity
59.01378	6.1
61.98832	1.1
65.00324	0.6
65.03981	0.3
71.01385	1.0
73.02944	0.3
76.51791	0.3
78.58145	0.3
80.02713	0.3
81.03457	0.3
83.01374	0.4
85.02953	0.4
89.02432	0.5
91.01894	6.2
93.03458	45.4
94.03791	1.5
95.01385	0.4
101.02465	0.6
107.01385	0.7
107.05049	0.4
108.02174	8.4
109.02975	2.0
113.02448	0.4
121.02952	1.0
123.00881	1.9
123.04514	0.7
125.02446	0.4
126.95794	0.2
135.00890	6.1
135.04527	0.2
137.02441	100.0
138.02779	3.4
149.02428	0.4
151.00298	0.8
151.99994	0.5
152.01157	7.1
161.04590	0.4
178.99908	0.3
183.04491	0.3
197.06075	0.5
200.04945	0.3
211.13338	0.4
213.05553	0.5
215.07018	0.6
225.14922	0.4
227.03487	4.3
229.04878	0.5
243.06606	37.3
244.07065	2.3
255.02965	7.0
256.03580	0.9
257.04507	0.3
267.03046	0.4
271.02429	1.9
284.03253	6.7
285.04010	3.1
285.20636	0.7
299.48083	0.3
300.02771	3.2
301.03445	2.6
322.29938	0.3
335.43854	0.3
385.27509	0.4
387.10883	0.6
403.28598	0.5
429.29889	0.4
447.08975	9.2
447.26364	2.7
448.09299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17873	0.6
59.01374	4.9
60.65627	0.6
62.96404	1.2
69.26270	5.9
70.32884	0.6
76.14722	0.5
78.95902	41.3
83.83054	0.6
95.97176	0.6
96.96972	2.6
109.02983	0.6
111.91232	0.6
149.00078	19.4
152.99579	0.8
158.92506	1.3
179.01117	1.5
205.16017	1.6
211.04112	0.7
227.03462	4.1
255.02983	6.6
256.03461	1.1
271.02423	1.0
284.03235	8.3
285.04025	4.6
300.02795	2.3
301.03555	2.6
417.12405	1.4
431.10300	1.8
447.13544	100.0
448.08429	0.8
448.13953	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.4
59.01379	100.0
60.01675	1.2
61.98833	9.6
71.01382	16.7
72.99316	1.8
73.02935	2.9
83.01384	1.8
85.02950	7.2
89.02446	13.3
95.01412	1.3
98.20667	2.0
99.00874	1.6
101.02442	12.8
113.02448	9.9
119.03479	6.1
125.02445	2.4
133.02937	2.2
135.03008	1.0
143.03542	1.1
151.04056	1.0
155.10812	1.3
161.02501	5.7
161.04536	7.2
165.05626	1.4
169.01434	3.5
179.05653	1.5
207.13858	1.8
225.14972	4.7
227.93698	0.9
235.53461	1.1
245.35419	1.0
285.03918	1.8
301.00073	1.1
387.20242	53.2
388.20425	4.4
447.01871	1.8
447.13583	2.0
469.17105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01701	0.7
61.98828	6.8
69.28316	2.4
69.28732	1.4
71.01387	4.5
73.02958	1.3
85.02966	1.2
89.02475	1.0
98.20673	0.9
101.02440	1.5
110.06797	0.4
113.02465	1.6
119.03532	0.5
123.08190	1.5
123.99934	0.4
126.25438	0.4
130.98654	0.4
139.81393	0.4
161.04568	3.3
163.11299	1.7
169.76263	0.4
179.05643	1.2
189.12920	2.6
207.13942	4.3
225.15004	1.1
247.81598	0.4
260.60898	0.4
387.20343	1.5
447.22391	0.5
474.51608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01379	100.0
60.01694	0.8
60.17081	0.6
61.98833	1.2
66.81750	0.6
70.96472	1.2
71.01382	8.2
73.02959	1.6
83.01434	0.7
85.02951	1.4
89.02444	7.4
90.19334	0.7
101.02443	5.2
102.16657	0.5
108.11343	0.6
109.02967	2.4
113.02439	2.8
119.03493	3.6
137.02470	0.8
143.03523	0.7
146.75096	0.6
161.04558	3.6
163.15018	0.6
169.01517	0.8
179.05653	1.9
189.12869	1.8
207.13947	1.8
255.02843	0.7
273.03128	0.6
285.04065	1.9
387.20212	4.4
447.02374	1.8
447.09186	1.1
447.22693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
70.68681	1.5
71.01379	6.1
72.82362	0.5
73.02944	1.8
85.02962	3.0
89.02447	1.3
95.01430	0.9
95.18670	0.6
99.00885	2.4
101.02441	2.5
105.01942	5.6
108.02176	47.8
109.02970	16.0
113.02454	1.5
121.03062	0.6
123.00905	0.9
123.04511	1.4
125.02462	1.2
135.04485	0.8
140.32813	0.5
148.06848	0.6
151.04018	1.4
152.01154	86.8
153.01898	5.0
161.04550	1.6
163.04039	3.3
167.03433	2.6
168.00510	0.8
173.00885	0.6
177.01962	0.6
220.39822	0.6
225.15324	0.5
241.83047	0.5
263.15042	0.5
268.48404	0.6
271.04596	0.7
271.08252	1.1
284.03363	0.8
315.07248	1.6
429.04941	0.6
447.11429	100.0
448.11768	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
69.97643	1.8
69.98053	1.1
71.01385	5.2
73.02963	1.5
82.10789	0.7
85.02951	3.3
89.02435	1.8
95.01396	1.2
99.00876	2.9
101.02444	2.0
108.02171	48.4
109.02981	13.7
113.02460	2.2
151.04001	2.2
152.01146	86.3
153.01628	4.5
161.04503	1.7
163.04031	2.5
177.01941	1.0
207.02972	0.6
210.93665	0.6
240.97368	0.6
271.08362	0.9
284.03317	1.7
285.04135	0.9
305.83231	0.7
315.07178	1.0
447.11407	100.0
448.11768	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11639	0.3
53.95618	0.4
56.30688	0.3
57.33363	0.3
59.01381	8.0
61.98840	0.5
63.02388	0.4
63.11720	0.3
65.00321	0.5
73.02954	0.4
83.01395	0.4
85.02930	0.6
89.02468	0.7
93.03449	0.8
98.20704	1.0
101.02419	0.7
104.04202	0.3
107.01386	1.1
108.02167	0.5
109.02952	0.9
113.02413	0.4
119.03469	0.3
125.02458	0.8
135.00888	0.3
151.00403	2.3
152.01141	0.5
153.01921	1.9
159.04443	0.3
161.02489	0.8
161.04556	0.4
163.00339	0.7
169.01414	0.4
171.04434	0.4
171.68221	0.4
178.99850	0.5
183.04486	1.2
187.04028	0.8
189.05756	0.3
191.05627	0.6
211.03986	1.9
213.05550	0.5
227.03496	67.5
228.03865	4.4
229.04993	2.1
230.16045	0.4
239.03537	0.6
241.04890	0.5
243.02965	0.4
245.72777	0.3
255.02979	85.7
256.03592	12.0
257.04419	2.1
267.02899	0.4
283.02496	0.8
284.03253	78.8
285.03952	26.9
286.04343	1.5
299.05652	0.6
327.05072	1.2
386.95508	0.3
387.20203	0.5
414.78333	0.3
447.09302	100.0
448.09634	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	447.0931
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
50.49895	0.6
57.03519	1.9
59.01459	6.2
69.04595	0.6
69.28204	5.7
78.56499	0.6
81.79362	0.7
83.01455	1.2
85.03024	0.8
89.02529	1.1
93.03554	1.3
98.20710	1.3
98.92411	0.6
101.79545	0.5
102.69077	0.7
108.02268	1.0
109.02938	4.6
113.02574	1.1
119.01511	2.7
119.05138	0.7
119.91891	0.7
121.03069	2.0
123.00959	1.3
124.01705	1.4
125.02448	25.8
133.05185	2.0
137.02568	2.2
147.00865	11.6
147.04666	2.3
148.01659	3.5
149.02539	2.5
149.99709	2.4
151.00513	1.0
159.04643	0.8
163.00508	1.9
167.05074	0.9
168.00638	3.8
169.01392	3.1
170.03796	1.5
171.04594	0.9
174.03267	0.7
175.00473	2.2
175.03990	3.2
177.02013	0.9
183.04591	2.1
183.47690	0.7
185.06168	0.8
187.04051	2.3
188.04823	1.4
189.05608	1.2
191.05670	0.9
195.04631	1.3
198.03323	1.2
199.03940	3.3
200.01180	0.9
200.04695	3.5
201.02013	2.0
211.03999	8.5
212.04790	5.8
213.02104	0.9
213.05614	2.0
214.02824	1.1
215.03543	1.4
217.05083	2.6
223.04123	1.1
227.03493	6.2
228.04283	2.4
231.02837	0.8
239.03499	7.0
240.04218	5.9
241.05066	2.9
242.01933	0.8
242.41580	0.7
243.03021	1.8
255.02966	16.6
256.03705	8.7
257.04520	5.5
258.05017	0.8
268.03687	0.8
271.04654	0.8
283.02484	9.5
283.05643	1.1
284.03250	100.0
285.03995	77.6
286.04391	5.0
299.05664	2.9
301.62570	0.7
313.05621	1.4
321.06195	1.6
323.63583	0.7
327.04852	1.3
331.06439	0.8
343.40961	0.7
447.09329	33.3
448.09534	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.9
61.98826	1.0
62.08358	0.7
63.23300	0.8
69.18074	2.6
69.18497	5.6
89.02436	2.4
130.76651	0.7
136.80772	0.7
151.00354	1.5
183.04491	1.1
205.88193	0.8
211.03990	1.5
227.03481	65.0
228.03862	4.3
229.05009	1.9
255.02982	78.1
256.03586	10.6
257.04410	1.2
284.03244	65.7
285.03928	21.9
286.04401	2.1
294.16611	0.8
299.99179	2.5
315.01602	1.8
324.44656	1.0
327.05237	1.4
447.09323	100.0
448.09586	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	447.0929
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.89065	0.5
68.39802	0.5
69.32437	0.4
69.32610	0.7
69.33028	3.4
79.62378	0.5
80.14156	0.5
81.57711	0.5
107.01394	0.6
108.77406	0.5
121.60323	0.6
140.67438	0.6
151.00328	1.7
171.04510	0.5
178.99881	0.7
180.56534	0.5
183.04474	1.1
187.03973	0.9
211.03958	1.9
227.03488	52.1
228.03889	4.0
229.04999	1.4
239.03549	0.7
245.42128	0.5
255.02975	68.4
256.03577	8.4
257.04309	1.1
276.68256	0.6
284.03256	54.8
285.03952	26.3
286.04379	1.2
299.05914	0.8
327.05060	1.3
432.51309	0.6
447.09296	100.0
448.09515	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	447.0721
Annotation	XL147
Peak:m/z	Relative Intensity
53.76131	0.6
59.01383	3.2
61.98822	0.9
69.22823	2.6
69.23246	2.9
82.99781	0.6
93.03434	2.6
94.03791	0.8
95.05008	0.7
107.01408	1.1
109.02923	1.9
123.00827	0.6
123.04539	4.5
130.52327	0.6
131.28035	0.5
132.78120	0.6
137.02438	3.8
138.02762	1.4
150.03175	0.8
151.00363	3.0
151.03940	0.8
167.04944	0.8
181.05008	1.1
183.04497	1.1
187.14633	0.5
195.04492	1.4
196.05490	0.7
203.03418	1.1
211.04031	4.1
212.04800	0.6
223.03928	3.1
225.45436	0.6
226.02707	0.6
227.03494	3.8
233.08086	1.1
237.01968	0.7
239.03545	5.7
240.04198	2.7
242.05685	1.2
243.06691	0.6
251.03403	1.6
255.02969	5.1
256.03537	0.9
267.02969	13.0
268.03693	7.2
269.04230	0.8
271.02423	2.0
281.04480	1.0
282.01715	3.7
283.02396	2.6
284.03238	4.0
285.04007	3.9
293.00931	1.7
295.02472	59.7
296.03159	21.6
297.03763	3.3
300.02707	3.3
301.03421	2.3
309.04083	2.2
310.04807	0.8
322.01199	0.6
323.01947	7.5
325.03302	1.9
328.01944	1.1
337.03537	1.5
359.10181	0.8
403.08542	1.7
447.07175	100.0
448.07547	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	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.4
63.63350	0.5
65.96726	0.5
69.21197	4.5
78.95907	19.3
82.66030	0.6
91.09766	0.5
91.16559	0.5
94.40398	0.5
96.80177	0.5
104.97451	0.9
106.00008	0.4
110.98538	12.9
136.72115	0.5
137.00206	0.7
152.99483	0.7
167.01160	14.9
185.02206	3.2
188.21155	0.5
231.21249	0.5
259.20657	0.7
277.21722	100.0
278.22064	9.9
278.24954	1.0
310.94244	0.5
334.29330	0.5
445.23599	17.3
446.23938	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	445.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64200	0.7
54.84296	0.7
57.03405	2.0
59.01319	7.4
61.14116	0.6
61.98786	1.0
69.03419	1.2
71.01379	4.8
73.02888	2.2
73.03288	0.9
75.00808	1.1
80.77177	0.6
81.03394	0.7
81.11723	0.6
83.01344	0.8
83.04942	0.7
85.02957	5.8
85.90546	0.6
89.02383	2.6
89.67261	0.7
92.60867	0.7
93.03378	0.8
93.92131	0.6
95.01321	1.3
95.04973	0.8
97.02908	1.6
97.06593	5.3
99.00789	0.9
101.02385	1.2
107.01387	5.5
113.02435	1.4
117.01875	1.4
119.04969	0.8
121.02877	3.3
123.00809	1.9
125.02441	20.8
125.09665	1.5
126.02715	1.1
127.11276	1.6
135.02924	1.0
135.04521	11.4
137.89018	0.7
138.01872	1.7
145.02942	4.5
151.00267	1.1
155.14351	0.8
156.64850	0.7
161.04460	1.3
163.03975	1.4
165.12798	1.6
167.14325	1.3
168.00507	0.9
169.01408	31.6
170.01688	1.5
171.08836	0.8
171.10237	10.2
172.10524	1.0
177.12740	1.6
179.02087	0.9
179.03485	11.2
183.13922	3.4
185.11772	2.0
193.12361	0.8
203.10791	1.1
209.11816	3.7
211.13385	25.4
212.13715	2.1
221.11781	4.2
229.12320	1.3
229.14424	17.3
233.06659	1.2
239.12779	2.6
246.98711	1.4
269.01038	0.8
291.19464	3.6
299.01953	0.7
301.03549	1.1
309.20645	1.5
327.21738	100.0
328.22119	7.8
369.05536	2.5
369.55508	1.0
401.08893	3.0
427.35287	1.0
444.35764	1.3
445.07089	3.4
445.24518	24.0
445.30438	1.5
445.35876	2.2
446.24905	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07252	0.7
55.57382	0.6
59.01381	100.0
60.01713	0.8
66.96942	0.7
68.53716	0.9
69.37359	6.7
69.37691	1.0
71.01383	15.9
75.00868	1.1
83.05021	1.6
85.02958	1.0
87.00877	1.5
89.02448	29.6
101.02453	9.0
113.02453	7.2
119.03517	12.7
119.04911	1.3
119.10777	0.8
125.02373	1.1
131.03519	1.6
135.02974	1.2
143.03458	2.6
143.04581	0.9
161.02431	1.3
161.04556	4.0
163.04025	1.0
179.03529	1.0
179.03882	1.2
179.05602	16.1
205.34464	0.9
209.08183	2.7
232.32593	0.8
251.43779	1.0
261.53772	0.7
265.08676	1.2
327.08841	5.8
445.12634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
55.71852	0.5
57.03445	2.3
58.00583	0.8
59.01379	100.0
60.01703	0.8
71.01382	17.9
72.97588	0.6
72.99323	1.2
73.02946	2.9
74.99111	1.7
75.00862	1.3
83.01398	2.0
85.02949	5.3
87.00900	0.9
89.02444	14.8
93.03458	1.9
95.01393	1.4
98.20599	1.5
99.00903	1.3
101.02441	12.1
108.02213	0.7
110.46642	0.5
113.02459	7.3
119.03514	8.7
119.05031	1.3
121.02988	0.9
123.04498	0.6
125.02480	1.5
131.07082	1.1
135.03018	1.9
136.99164	1.0
137.02469	0.8
137.09827	0.6
141.34570	0.6
143.03526	1.9
143.05051	1.1
153.09254	1.7
159.03027	1.3
161.04552	8.9
163.04063	1.0
163.11314	0.9
165.09222	1.3
179.05595	5.8
179.10841	2.1
189.46733	0.6
205.12305	3.1
223.13403	10.2
235.13443	0.7
237.09425	0.9
237.14992	1.4
265.08835	1.1
265.14487	2.2
327.08725	7.4
409.01971	0.6
445.13840	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.2
59.01376	1.4
65.03960	0.5
69.28569	1.1
70.53959	0.1
71.01381	1.3
73.02943	0.5
83.01369	0.2
85.02959	0.6
89.02438	0.4
93.03457	51.1
94.03782	1.3
97.02981	0.2
98.20630	0.2
99.00893	0.3
101.02448	0.7
109.02926	0.8
113.02454	0.4
117.03452	3.1
118.03789	0.1
119.05026	3.1
121.02933	0.6
133.02946	1.0
135.04509	1.9
136.04919	0.1
137.02441	100.0
138.02779	3.8
145.02951	11.0
146.03282	0.5
153.01971	0.7
161.02441	3.4
161.04561	0.3
161.05991	0.2
163.04002	1.9
177.05539	0.3
179.03491	1.4
180.03940	0.2
205.05066	0.2
221.04562	0.4
255.02890	0.1
299.07657	0.4
307.08206	2.4
307.11401	0.2
313.16690	0.4
323.07690	3.5
324.07907	0.3
327.21985	0.2
337.15894	0.2
401.12454	0.2
445.11566	1.4
445.20178	1.0
446.11600	0.2
446.21124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64550	0.5
59.01369	1.9
69.37405	1.0
69.37823	2.7
71.01369	1.1
73.02956	0.9
85.02947	0.5
89.02448	1.1
93.03456	50.5
94.03790	1.7
98.20679	0.9
101.02411	0.6
107.01389	0.9
113.02461	0.6
117.03464	3.3
119.05035	3.0
135.04498	0.6
137.02441	100.0
138.02780	2.7
145.02953	13.1
151.00348	2.8
163.04012	2.4
178.99867	1.5
179.03612	0.8
189.02069	0.5
213.01985	0.6
215.03543	0.7
217.64934	0.4
227.03462	0.6
230.05832	0.5
239.03741	0.5
240.04208	1.1
241.05084	0.6
242.02171	2.1
243.02832	0.8
250.09637	0.5
254.05849	1.3
255.02954	0.7
257.04465	0.6
267.02979	0.5
269.08331	0.8
270.05273	0.9
271.02631	0.4
271.06122	1.6
295.02512	1.5
296.03278	0.6
297.04047	0.7
297.07693	1.4
300.02560	0.6
301.03647	1.2
307.08234	2.0
311.02066	0.5
313.03586	1.6
313.07080	0.6
323.02173	0.6
325.07306	1.6
328.05707	1.1
329.10248	1.3
341.03052	2.3
342.07785	0.5
357.09738	17.6
358.10159	1.6
401.08688	4.5
402.09100	0.6
445.07626	8.8
445.14206	0.7
445.20685	0.6
446.08337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.0
69.29008	10.1
69.29395	2.0
71.01371	4.0
72.00906	1.2
75.00873	79.7
83.03790	1.2
89.02441	5.5
103.00372	100.0
104.00700	1.9
104.03529	1.7
104.68976	1.1
113.02444	2.5
118.35807	1.2
119.03481	2.2
127.15537	1.2
130.88872	1.2
179.05566	3.7
183.25262	1.1
184.21233	1.3
249.40350	1.3
341.10916	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	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88630	1.3
59.01383	6.6
69.30183	4.2
69.30608	5.8
71.01386	4.6
75.00875	80.6
79.11125	1.0
89.02457	5.0
95.91994	1.1
97.43326	1.1
98.19911	2.6
101.02467	2.0
103.00375	100.0
104.03542	1.5
106.64274	1.0
113.02538	1.6
119.03472	2.0
139.61209	1.1
179.05600	3.4
341.10846	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	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88630	1.3
59.01383	6.6
69.30183	4.2
69.30608	5.8
71.01386	4.6
75.00875	80.6
79.11125	1.0
89.02457	5.0
95.91994	1.1
97.43326	1.1
98.19911	2.6
101.02467	2.0
103.00375	100.0
104.03542	1.5
106.64274	1.0
113.02538	1.6
119.03472	2.0
139.61209	1.1
179.05600	3.4
341.10846	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	445.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67083	0.3
59.01378	6.6
59.54214	0.3
71.01379	5.2
73.02941	1.1
75.00871	0.5
75.97615	0.3
83.01388	0.5
85.02934	1.6
87.00858	0.9
89.02444	3.6
90.19606	0.3
93.03454	0.4
95.01401	0.3
99.00871	0.8
101.02427	2.7
105.03485	0.4
112.98820	0.5
113.02456	1.6
115.00371	0.9
117.03482	1.0
119.03516	1.0
119.05003	2.0
120.05404	0.3
121.02949	1.3
121.05043	1.7
123.04482	0.4
125.02463	0.6
132.02179	1.3
133.02951	30.3
134.03275	0.9
135.03049	1.5
135.04518	9.7
137.02496	0.6
142.99866	0.5
149.02426	0.4
149.06052	0.4
161.02435	100.0
162.02765	4.6
163.04063	1.5
165.04466	0.4
169.01456	0.4
169.33167	0.3
174.01680	1.1
175.02452	1.1
175.03917	0.4
179.03499	6.7
221.04388	0.4
281.06677	0.4
293.12628	0.4
308.73853	0.3
327.08646	2.1
445.13474	72.8
446.13831	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	445.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60147	0.4
55.10577	0.3
57.03452	0.5
58.00586	1.6
59.01385	2.4
71.01375	0.6
71.05032	1.9
98.20800	0.8
113.67504	0.3
121.02962	0.6
128.24750	0.4
160.01729	0.4
173.77203	0.4
184.05298	0.5
185.09727	0.5
196.05276	1.5
197.09639	1.0
198.03166	0.6
200.01192	0.7
209.11804	0.6
213.09218	1.0
214.02657	0.9
216.00610	0.6
224.04765	0.7
224.08517	0.4
225.09212	2.3
226.02748	0.6
229.01372	0.9
232.00011	0.6
240.04277	21.0
241.01596	0.4
241.04610	1.7
241.08662	0.4
242.02162	0.8
243.03001	0.5
244.00053	0.6
245.00894	0.6
246.98845	0.5
253.08717	1.6
254.02237	0.7
255.02888	0.6
256.03647	0.6
259.99588	2.8
267.03033	0.7
268.03577	0.9
269.00937	8.9
269.08182	47.8
270.01511	1.0
270.08502	4.0
272.03113	1.2
281.00879	0.8
282.01666	0.6
283.99722	2.0
284.02719	0.4
285.00211	0.6
295.02496	0.4
297.00360	0.9
297.07669	10.8
298.01144	4.7
298.07983	0.8
299.01913	0.7
303.98639	0.7
311.05649	2.9
313.07159	5.2
323.05426	0.6
341.06610	7.2
342.07053	0.9
365.19958	0.4
366.11752	0.4
373.73257	0.4
395.42297	0.4
396.29681	1.4
401.08759	0.7
406.32123	0.6
412.33032	3.8
413.33377	1.2
424.32910	1.2
425.33545	0.6
426.34705	1.8
427.28824	0.6
442.34085	12.3
443.34366	2.6
444.35687	12.8
445.07736	100.0
445.35852	3.4
446.02109	0.8
446.08075	11.0
446.14246	0.6
458.33472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69801	0.9
57.03429	2.4
59.01383	10.8
61.08727	0.8
61.98816	3.3
69.21126	9.6
69.34986	0.8
71.01382	7.9
73.02930	2.6
73.59114	1.1
83.01392	0.9
83.55436	0.9
85.02937	3.7
87.00874	2.0
89.02453	1.6
91.01900	5.3
93.03439	1.5
101.02421	4.3
109.02937	2.3
111.08136	3.2
113.02428	3.7
119.01363	3.9
121.02912	1.8
121.47764	0.9
125.02455	0.9
137.02444	8.7
147.00873	15.2
161.02411	1.4
161.04527	3.6
163.00375	7.9
165.01923	10.7
165.12845	30.4
166.13162	1.5
173.02446	1.7
174.03201	2.6
175.00330	7.1
176.01015	2.5
183.13881	18.8
183.85909	0.8
185.02371	1.0
190.02650	1.5
191.10765	1.2
197.08102	1.1
200.89575	0.9
201.01884	2.0
202.02750	5.4
202.99834	32.6
204.00171	2.6
206.99271	3.7
207.99991	1.5
209.00897	19.1
209.11830	3.8
210.01117	1.5
221.00755	1.2
227.12891	5.2
230.02119	3.5
235.08167	3.7
240.03986	1.4
241.04922	1.5
245.00827	1.9
246.98817	100.0
247.99211	7.3
259.99680	1.9
261.00287	1.6
269.00864	1.6
269.08075	5.4
273.00351	1.5
274.01230	4.9
297.07602	3.5
298.00790	1.3
298.08105	1.0
311.05609	1.0
313.07285	1.1
327.21552	2.7
341.06509	2.3
357.09787	2.2
369.05927	1.3
401.08893	8.0
413.05179	1.1
426.34650	2.4
444.35684	7.0
445.07687	16.1
445.20328	19.2
445.29874	1.7
445.35757	2.6
446.08118	1.8
446.21066	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	445.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01380	37.2
61.98832	2.8
71.01385	6.8
71.05023	0.8
73.02943	2.2
81.78287	0.7
83.01377	0.9
85.02953	3.1
89.02446	2.8
89.52695	0.8
91.01907	3.8
93.03477	1.4
95.01379	1.3
99.00885	0.8
101.02456	4.9
107.01416	0.8
109.02935	1.3
113.02452	2.4
118.98069	0.9
119.01375	3.9
121.02944	8.9
125.02413	1.2
135.02985	1.6
137.02443	4.2
145.02945	1.5
147.00885	12.9
153.09244	1.2
161.02461	0.9
161.04552	7.0
163.00374	2.4
165.01982	4.0
165.05513	2.0
165.12839	1.0
169.01411	1.6
169.95360	0.8
174.03226	0.9
175.00331	9.3
176.01138	16.3
181.06560	3.0
183.13882	2.3
190.99907	1.1
201.01997	1.2
202.02605	1.4
202.99855	35.9
203.01762	2.0
204.00484	4.7
205.12265	1.5
208.00174	1.4
209.00925	6.6
209.11823	8.9
214.02716	1.1
223.13449	1.0
225.05548	1.7
227.03656	1.0
227.12891	1.8
229.01468	2.4
230.02167	7.6
239.11804	2.0
246.98824	100.0
247.99379	10.9
253.09193	1.4
255.02934	1.8
255.06676	1.4
265.05148	1.0
269.00888	1.6
269.08081	2.0
270.01639	1.2
271.02426	2.0
274.01151	3.4
283.02716	1.5
283.10794	1.5
297.07681	2.2
298.04855	1.2
299.02094	1.3
299.05551	3.1
301.03296	1.6
311.09180	1.2
325.07095	2.5
327.21619	1.0
329.10300	2.1
357.09647	6.0
383.29706	1.5
385.22412	6.3
401.08774	3.6
401.26935	1.7
445.07590	4.9
445.12033	2.8
445.24869	2.8
445.33087	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	444.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.0
61.98829	100.0
64.63743	0.9
69.63928	5.2
71.01363	3.9
73.02930	1.4
75.00860	1.7
76.00342	1.0
85.02947	1.8
87.00893	1.2
89.02425	2.5
93.03436	1.4
99.00869	2.1
101.02431	1.1
108.48130	0.9
113.02451	2.1
119.04996	3.2
120.05281	1.1
120.27092	0.9
121.02962	1.1
125.02412	2.8
133.02994	1.1
135.02956	4.0
135.04500	1.5
137.02415	1.3
139.03932	1.1
143.05025	1.4
158.72943	0.9
161.04568	1.5
162.02657	1.0
163.03972	2.4
164.04318	1.2
169.01427	2.3
191.05521	1.1
197.68079	0.9
283.09586	1.0
283.41812	0.9
293.12488	1.3
327.08701	8.6
331.06607	3.1
384.18375	1.7
445.13351	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	444.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.0
61.98829	100.0
64.63743	0.9
69.63928	5.2
71.01363	3.9
73.02930	1.4
75.00860	1.7
76.00342	1.0
85.02947	1.8
87.00893	1.2
89.02425	2.5
93.03436	1.4
99.00869	2.1
101.02431	1.1
108.48130	0.9
113.02451	2.1
119.04996	3.2
120.05281	1.1
120.27092	0.9
121.02962	1.1
125.02412	2.8
133.02994	1.1
135.02956	4.0
135.04500	1.5
137.02415	1.3
139.03932	1.1
143.05025	1.4
158.72943	0.9
161.04568	1.5
162.02657	1.0
163.03972	2.4
164.04318	1.2
169.01427	2.3
191.05521	1.1
197.68079	0.9
283.09586	1.0
283.41812	0.9
293.12488	1.3
327.08701	8.6
331.06607	3.1
384.18375	1.7
445.13351	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	443.3527
Annotation	2alpha,3alpha,19alpha-Trihydroxy-28-norurs-12-ene
Peak:m/z	Relative Intensity
57.03270	0.3
57.03576	0.5
58.00407	0.3
58.00723	0.7
59.01226	0.2
59.01492	0.3
71.04732	1.7
71.05179	4.6
73.02708	0.2
73.03048	0.2
81.03600	0.2
83.04657	0.5
83.05204	1.6
85.06194	0.6
85.06771	2.2
87.07863	0.1
87.08302	0.3
95.05183	0.2
97.06792	0.8
99.08337	0.5
109.06754	0.3
119.08847	0.3
121.06741	0.2
123.08396	0.6
130.57309	0.1
135.08350	0.3
137.09944	0.8
149.09871	0.2
187.15132	0.4
189.13071	0.4
189.31277	0.2
191.14600	0.2
203.14601	0.2
205.15967	8.1
206.16568	0.4
211.15224	0.1
217.16336	0.2
247.17197	0.3
249.15335	0.2
269.19165	0.1
276.21484	0.1
291.17487	0.2
293.19095	0.2
295.20926	0.3
297.22485	0.4
305.19458	0.2
307.20856	0.4
307.24185	0.1
309.18423	0.1
309.22260	0.3
321.22186	0.8
323.20615	0.2
323.23813	0.9
325.25305	1.1
327.23242	0.2
335.23816	0.2
337.25177	0.8
339.23422	0.6
339.27103	0.3
341.24963	0.2
343.26440	0.6
351.27209	0.2
355.26779	0.2
365.28720	0.2
371.46356	0.2
377.25143	0.2
379.30258	0.3
381.31598	0.7
391.26328	0.3
393.27878	1.9
394.28439	0.2
395.29471	1.9
395.33676	0.2
396.29977	0.3
405.31653	0.9
407.33844	0.9
409.31134	2.0
410.31390	0.4
411.32742	4.7
412.33044	0.8
413.34476	0.2
419.29297	0.2
421.31277	0.2
423.32852	2.2
424.33127	0.2
425.34265	32.7
426.28665	0.2
426.34570	4.6
427.32233	0.6
437.30884	0.3
439.32004	0.6
441.33847	6.7
442.34274	1.1
443.35275	100.0
444.35608	15.7
455.31845	0.3
457.33176	1.2
461.36459	1.3
462.36429	0.2
469.33371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3165
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
59.01351	3.8
61.98819	2.3
67.10712	1.7
69.43547	8.0
69.43964	6.3
71.05013	2.9
78.90447	2.0
80.37460	1.8
98.19901	3.8
120.58310	1.8
120.69895	1.8
165.09070	2.2
191.57164	1.7
234.63011	1.7
260.02579	2.0
261.10916	1.8
277.53494	1.9
309.21945	2.5
325.25378	3.7
339.26825	13.9
355.26147	3.6
357.27975	38.9
358.28278	5.3
393.31564	3.4
401.27051	14.9
411.32458	2.5
441.33603	13.4
443.31543	100.0
444.32178	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	443.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
61.41120	0.3
69.25817	1.6
69.26247	1.8
114.05668	0.4
127.31554	0.4
177.12822	0.7
184.10458	0.4
232.21638	0.4
258.99036	0.4
271.22717	0.7
355.26355	0.4
389.26978	1.4
399.29419	0.5
409.31161	0.5
411.32504	0.8
427.28992	0.4
443.31677	100.0
444.32001	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	443.3527
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
53.05865	0.2
53.60994	0.1
57.03442	0.2
57.82546	0.2
58.00571	0.2
59.01372	0.4
61.98843	0.2
69.03461	0.2
71.01398	0.2
71.05019	28.3
71.52895	0.2
72.05399	0.4
76.44732	0.2
83.05026	2.3
85.06575	0.2
97.06626	0.3
98.19967	0.2
98.91403	0.2
100.96761	0.1
104.01200	0.2
109.06599	0.7
115.40681	0.2
121.01659	0.2
137.09702	0.2
148.80896	0.2
189.12650	0.2
212.68181	0.2
321.22229	0.3
323.23755	0.5
325.25238	0.2
337.25348	0.8
339.26761	1.0
341.28445	0.3
353.28482	3.4
354.28879	0.4
355.26483	0.2
357.27963	0.3
359.29492	1.2
369.27933	1.2
370.28400	0.2
371.29504	17.4
372.29797	2.4
403.28445	0.6
409.31238	0.6
411.32727	0.3
415.28265	8.2
416.28668	1.6
425.34366	2.3
426.34946	0.2
427.32205	0.6
441.33392	0.4
442.33618	0.2
443.35303	100.0
444.35638	15.8
457.33591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
68.76488	0.3
69.12748	0.3
71.01371	1.5
75.00835	0.3
83.61829	0.3
85.02937	0.4
88.98798	2.8
89.02440	1.5
93.03453	0.6
93.30742	0.3
96.12625	0.3
98.20663	0.7
99.47389	0.3
101.02465	0.6
113.02464	0.5
119.05024	79.0
120.05359	2.3
135.02977	0.4
135.04530	0.4
145.02867	0.3
149.06084	0.3
161.02484	0.6
163.04008	100.0
164.04341	4.3
178.02777	0.3
179.03529	0.3
191.05591	1.5
193.05064	1.0
203.32800	0.3
205.05037	0.9
281.06570	0.4
297.08148	0.5
325.09241	2.9
366.17630	0.3
412.46933	0.3
443.11990	4.2
443.19232	3.4
444.12415	0.7
444.19553	0.3
444.59549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01870	2.5
57.03455	1.9
58.00602	0.9
59.01383	39.6
69.75089	3.3
71.01385	24.8
72.99305	2.1
73.02940	4.0
76.73537	0.6
83.01392	4.3
85.02958	10.2
87.00881	0.9
89.01934	1.3
89.02447	19.3
95.01396	2.4
98.20605	0.9
99.00889	2.3
101.02447	19.8
111.04543	1.4
113.01730	0.8
113.02458	9.9
113.73474	0.6
119.03506	5.9
119.05022	7.0
123.08130	0.7
131.03514	0.9
135.04564	0.7
140.43413	0.7
154.50421	0.7
161.02454	1.2
161.04568	1.8
163.04012	8.1
171.11771	0.7
179.05405	0.7
189.12897	1.1
214.27380	0.6
219.13966	0.9
226.47543	0.6
237.14886	0.8
291.99142	0.7
304.03998	0.7
317.38098	0.9
368.04440	0.8
443.19196	100.0
444.19473	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	443.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49569	0.4
55.71260	0.4
60.97510	0.4
66.05949	0.4
74.99049	0.7
88.27291	0.3
110.44343	0.4
112.77368	0.4
122.34499	0.4
159.08463	3.7
161.06395	1.6
186.06052	0.4
217.07187	0.9
219.89638	0.4
225.14348	0.4
261.04492	0.5
277.07544	2.3
343.12112	0.8
345.13837	1.1
357.13736	2.6
358.14200	0.6
359.15332	100.0
360.15475	13.8
377.16431	0.7
425.20190	0.6
427.21573	48.1
428.21698	8.2
443.24768	7.6
444.24991	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.4
59.01380	3.6
61.98825	0.6
70.03478	1.2
70.03871	1.2
71.01373	3.2
72.99316	1.0
73.02948	5.5
75.00880	1.0
85.02977	1.0
87.00874	5.2
88.98797	1.0
89.02458	2.0
93.03446	1.2
101.02425	2.8
113.02475	0.7
117.01939	11.4
117.03372	1.1
119.05025	84.8
120.05377	3.0
135.03008	3.3
135.04544	1.1
139.62950	0.5
145.02960	6.9
152.69478	0.4
161.02420	1.2
163.04005	100.0
164.04355	5.3
179.03461	0.6
221.04515	0.8
237.04105	0.5
237.07695	0.8
263.05518	1.0
269.58047	0.5
281.06702	1.0
325.09247	9.9
326.09412	0.8
341.10681	0.6
428.96503	0.5
443.11935	19.5
443.19171	7.5
444.12152	2.2
444.19214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
66.16590	0.3
69.75871	2.1
71.01378	1.2
75.00873	0.8
89.02440	0.4
98.20593	0.7
101.02429	0.6
117.01926	0.5
117.22125	0.3
119.05024	97.4
120.05341	3.9
134.03728	0.5
135.03004	2.5
135.04518	1.2
145.02840	0.5
151.60768	0.3
161.02437	1.4
163.04001	100.0
164.04324	4.5
169.84215	0.3
179.03481	1.5
184.11772	0.4
193.05005	0.7
245.04617	0.4
281.06714	1.3
325.09241	7.1
378.36365	0.5
443.11847	12.5
443.18054	0.7
444.12207	1.1
465.32626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74654	0.6
53.99586	0.6
63.72069	0.7
71.52982	1.0
81.52020	0.7
90.05325	0.6
96.96006	5.7
101.38570	0.6
111.78115	0.6
116.33423	0.6
119.05043	0.7
136.21019	0.6
140.35922	0.7
145.02963	3.8
160.57571	0.8
189.64459	0.7
354.92749	0.7
441.25278	4.6
441.33749	100.0
442.34119	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	443.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
57.03444	1.6
57.74178	0.6
58.00596	1.5
59.01377	41.9
60.99300	6.2
71.01379	26.1
72.99300	2.1
73.02943	3.9
75.00877	0.6
75.34374	0.7
78.78217	0.6
83.01386	4.3
83.83643	0.6
85.02946	11.8
87.00871	2.4
88.98803	44.1
89.02438	17.3
93.03466	1.2
95.01372	2.3
98.19875	1.5
99.00880	2.4
101.02442	18.6
109.02969	1.1
111.04514	1.4
113.02445	8.8
119.03599	7.4
119.05018	43.2
120.05335	1.7
123.08204	0.7
125.02449	1.1
133.02983	1.3
134.03735	2.2
135.02989	1.1
135.04477	1.9
137.02406	0.8
149.06029	0.8
159.02951	1.2
161.02396	5.7
161.04495	1.0
161.06133	0.6
162.42700	0.6
163.04001	46.0
164.04366	1.8
177.05563	1.2
178.02605	0.8
179.03468	2.7
179.05626	1.2
179.07054	0.7
189.12787	1.2
191.05602	31.7
192.05934	1.2
193.05038	2.5
221.04503	1.6
237.14943	1.3
281.06549	2.8
281.13760	1.1
297.08307	0.7
325.09320	2.6
353.08804	3.0
383.09677	2.4
418.61041	0.8
443.12234	7.6
443.19141	100.0
444.19601	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	441.3369
Annotation	Topsentisterol B2
Peak:m/z	Relative Intensity
59.01382	5.5
61.98831	2.1
71.05019	43.8
71.05415	2.2
71.24427	2.3
83.05038	2.4
85.06620	1.5
97.06633	2.0
109.09412	1.4
123.08122	1.7
205.16069	4.7
276.12396	1.2
321.22134	1.6
337.25510	2.5
339.23376	2.2
339.27063	2.3
341.24982	5.1
351.26996	8.7
355.26428	26.1
355.30527	1.8
356.27078	3.5
357.27823	2.6
369.27988	23.2
370.28387	2.9
387.25470	8.3
388.26291	1.5
389.26984	21.1
390.27499	2.5
399.25366	14.6
399.29330	1.3
401.26834	6.4
407.29666	1.6
409.31583	2.4
413.26892	12.0
421.31509	2.6
423.32965	10.1
425.30685	4.5
433.26212	3.1
439.32169	7.4
441.33963	100.0
442.34360	15.5
455.31781	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	441.337
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
57.93962	0.4
63.96307	0.4
76.05222	0.4
83.89809	0.4
96.96011	1.7
108.48873	0.4
146.27412	0.5
151.87764	0.5
174.42758	0.5
186.78061	0.6
252.31522	0.5
280.61203	0.4
305.01883	0.4
348.32013	0.5
349.28958	1.0
355.26941	0.5
397.31332	0.9
412.89758	0.5
441.33716	100.0
442.34024	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	441.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74217	0.6
63.28540	0.5
69.90522	0.5
71.51618	0.5
80.46552	0.5
90.89024	0.5
90.89648	0.6
96.95992	1.5
131.29587	0.5
142.89473	0.6
170.19321	0.5
175.22966	0.6
181.52858	0.6
441.33728	100.0
442.34067	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	441.3371
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
56.90104	0.2
57.03443	1.3
58.00585	0.9
59.01384	2.5
61.98821	0.7
67.89066	0.3
69.03426	0.3
71.01365	1.0
71.05018	22.0
71.53438	0.4
72.05349	0.5
73.02924	0.5
74.29622	0.3
78.27705	0.3
83.05035	2.6
84.84483	0.2
85.02936	0.4
85.06577	1.9
85.16226	0.3
97.06566	1.5
101.02416	0.4
109.06589	0.3
123.08150	0.9
135.08163	0.4
137.02391	0.3
137.09717	1.1
153.55534	0.3
167.24071	0.3
187.14854	0.5
189.12866	0.4
205.15952	11.9
206.16209	0.6
211.14903	0.3
247.17258	0.3
261.35291	0.3
277.44275	0.3
287.20447	0.3
306.19675	0.5
307.20667	1.1
319.20825	0.5
319.24261	0.6
320.14145	0.3
321.22223	2.1
321.25690	0.6
322.22726	0.4
323.23608	1.7
335.23764	0.7
337.21722	0.5
337.25357	3.7
339.26859	3.4
340.27246	0.3
351.26889	2.0
353.24796	0.6
355.26401	1.0
369.28406	0.6
379.30072	2.6
382.14001	0.3
391.26334	1.1
393.27802	1.8
397.30896	0.3
405.31952	0.5
407.29526	2.5
409.31165	4.2
410.31567	0.6
413.26730	0.4
419.29553	1.3
421.31467	2.1
423.32697	29.5
424.32986	4.5
425.30466	0.3
437.30624	2.1
439.32147	6.2
440.32553	0.8
441.33710	100.0
442.34058	14.5
442.40277	0.5
453.30124	0.7
455.31650	3.9
456.31845	0.7
459.34866	1.4
467.31549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3371
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
54.46748	0.2
57.03441	0.6
58.00589	0.6
69.03424	0.3
69.99407	0.5
69.99802	0.4
71.05019	16.3
72.05369	0.3
73.02960	0.3
83.05020	2.1
85.06593	1.0
97.06602	1.0
121.06547	0.2
123.08181	0.4
135.08031	0.3
137.09708	0.9
149.09807	0.3
162.60596	0.2
168.31670	0.2
187.14957	0.4
189.12852	0.5
204.68306	0.3
205.15974	9.4
206.16325	0.5
245.09357	0.2
286.11646	0.3
305.19061	0.5
307.20673	0.8
309.22351	0.2
314.99557	0.2
319.24310	0.3
321.22336	1.7
321.25769	0.5
323.20297	0.3
323.23761	1.6
325.21640	0.4
335.23654	0.5
337.25369	3.3
339.26920	2.8
340.27408	0.4
342.73825	0.3
349.25372	0.4
351.26959	1.7
353.24664	0.4
355.26392	0.9
369.27939	0.7
377.24606	0.3
379.30127	1.5
380.30515	0.3
391.26431	0.7
393.27933	1.2
394.28195	0.3
395.29327	0.3
405.31998	0.4
407.25616	0.2
407.29752	1.8
408.30020	0.3
409.31219	4.0
410.31622	0.4
419.29596	0.6
421.31143	1.3
423.32700	21.7
424.28497	0.3
424.33176	2.9
437.30603	1.2
438.30692	0.5
439.32236	5.1
440.32462	0.8
441.33704	100.0
442.34036	13.6
447.10968	0.2
453.30405	0.3
455.31714	2.8
459.34796	1.1
467.31757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
58.00602	1.1
58.00867	0.4
61.14210	0.4
66.39547	0.5
66.73260	0.5
69.03434	0.5
71.05020	19.1
73.02954	0.4
81.35173	0.4
83.05028	2.3
85.06591	1.5
97.06577	1.2
109.62448	0.5
123.08102	0.5
137.09741	1.0
187.15135	0.5
197.65512	0.5
200.67741	0.6
205.15962	9.2
206.16273	0.6
307.20779	0.8
321.22189	1.6
323.23734	1.6
335.23761	0.8
337.25433	2.9
339.26871	3.5
349.25433	0.6
351.26956	2.1
355.26575	1.3
369.28015	0.9
379.30072	2.4
391.26236	1.1
392.27255	0.7
393.27887	1.7
407.29608	1.8
409.31161	3.9
410.31464	0.6
419.29590	0.9
421.31284	1.8
423.32690	23.8
424.32993	3.4
437.30521	2.0
439.32214	4.3
440.32593	1.0
441.33731	100.0
442.34030	13.9
455.31818	2.8
459.34860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3372
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.74117	0.3
57.03432	0.5
58.00586	0.8
59.01365	0.7
60.98764	0.2
66.74749	0.2
68.59943	0.2
71.01378	0.5
71.04641	0.4
71.05021	6.6
73.02940	0.5
79.75971	0.2
79.78961	0.2
83.05014	1.6
85.06593	1.3
97.06583	3.0
109.06543	0.3
129.29861	0.2
133.79150	0.2
185.09506	0.3
189.12912	0.5
201.12834	0.4
203.14502	0.4
205.15967	0.5
252.48192	0.3
269.19193	0.3
291.17477	0.7
305.22693	0.3
307.20682	0.3
319.20676	0.4
319.24237	0.4
321.22238	1.0
323.23782	0.4
325.21741	1.4
335.23795	0.5
337.21683	3.4
337.25250	0.4
338.22198	0.4
339.26974	0.3
349.25543	0.3
351.23172	0.7
355.26358	0.4
356.59219	0.3
363.27036	0.3
365.28543	0.3
369.28003	0.3
376.24063	0.4
377.28568	0.4
379.30081	0.7
380.30548	0.3
389.28479	0.7
390.25464	1.3
391.26526	1.6
392.26785	0.3
393.27936	0.7
397.31186	0.8
399.29120	0.7
403.30746	0.3
405.31683	21.9
406.31970	3.6
407.29559	10.1
407.35092	0.4
408.29810	1.6
409.27347	1.1
411.33096	0.4
421.27216	3.3
423.32779	8.1
424.29294	2.9
425.30524	1.8
437.30374	0.7
439.32999	2.0
441.33722	100.0
442.34061	14.1
455.31598	2.7
456.29004	0.8
457.29697	0.6
459.34821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51539	0.8
59.01382	3.8
68.99831	4.1
69.03452	0.9
69.20642	5.4
69.21047	1.7
71.01381	4.6
73.02934	1.8
75.00879	0.9
83.01392	1.6
85.02945	3.5
87.00874	2.5
89.02426	1.5
93.03468	1.1
97.02959	0.8
99.00867	3.7
101.02448	2.6
109.02954	1.6
111.00868	2.0
113.02432	4.7
113.99582	12.0
115.00386	7.6
119.05030	11.7
120.05341	0.9
121.02957	46.3
122.03275	1.1
125.02445	1.3
127.00362	2.5
129.01913	2.2
133.02943	0.8
133.05052	1.3
135.02974	1.1
135.04529	1.3
141.01964	0.9
145.03009	1.2
149.02412	1.7
157.01370	1.7
157.08324	0.7
161.02431	4.1
163.04013	12.7
164.19795	0.7
169.01433	1.6
174.00246	1.0
174.01692	14.8
175.02434	1.9
177.01974	3.7
245.08125	1.4
249.11310	1.2
259.04596	1.2
264.03168	0.7
289.07062	2.0
295.10318	0.9
319.06555	1.6
323.07501	0.9
325.09363	1.5
381.08252	12.8
381.17398	0.8
382.08731	0.8
423.09360	1.2
441.10239	100.0
442.10510	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	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80033	0.4
57.39842	0.4
59.01381	100.0
59.20461	0.4
60.01709	1.1
61.98815	0.7
70.81742	1.3
71.01385	4.5
71.05029	1.9
72.99306	0.5
73.02950	2.2
83.01399	0.7
83.05053	0.5
85.02969	1.6
89.02436	2.9
93.03471	0.7
97.06618	0.5
101.02430	3.1
113.02462	2.5
114.67119	0.4
119.03491	1.3
124.01698	0.5
137.02454	0.9
143.07091	0.4
157.08688	0.6
161.04646	1.0
195.13936	0.6
211.13399	1.0
213.76294	0.4
257.14243	0.4
367.80112	0.5
391.26367	0.5
399.23865	1.0
405.32025	0.5
407.29697	2.4
421.27319	1.0
423.32980	2.0
439.32709	0.5
441.29172	6.4
441.33908	15.8
442.29083	0.6
442.34506	2.0
451.02048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
59.01356	2.9
59.01653	0.6
64.62827	0.6
67.26864	0.6
67.50890	0.6
68.99807	2.6
69.03447	0.9
71.01373	5.0
72.99304	1.1
73.02934	1.4
75.00856	1.2
83.01361	1.5
85.02935	4.4
87.00868	2.2
89.02431	1.1
95.01369	1.9
97.02922	1.0
99.00883	4.9
101.02431	2.8
102.41749	0.7
102.61667	0.6
109.02936	1.5
111.00857	1.9
112.98760	0.8
113.02441	4.3
113.98849	1.1
113.99584	15.0
115.00378	9.4
119.05029	11.1
121.02952	51.7
122.03277	2.1
125.02406	1.4
127.00368	2.5
129.01907	2.0
133.02919	1.2
135.04500	2.3
139.00337	0.8
141.01877	1.5
145.02937	1.7
154.27588	0.8
157.01346	2.4
161.02409	2.7
163.03987	11.8
169.01466	1.0
174.01678	14.8
175.02379	1.8
177.01842	2.1
179.03537	1.0
245.42282	0.7
259.04456	1.5
275.74887	0.8
289.07068	1.5
295.10144	1.0
319.06546	1.5
323.07697	1.7
325.08948	1.0
379.61206	0.7
381.08224	13.1
382.08475	1.6
420.99905	0.8
441.10217	100.0
442.10574	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	439.3211
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
58.00595	5.7
61.98819	1.9
65.86010	0.9
69.03455	1.1
71.01405	1.8
71.05021	4.7
71.53231	1.6
73.02943	1.0
77.33331	1.0
88.91552	0.9
96.96021	1.2
97.06606	5.2
133.06572	1.6
168.06119	1.1
242.02185	1.4
287.02118	3.9
301.18332	2.3
331.22580	2.4
373.25327	2.2
385.24185	2.2
385.29141	6.5
389.24857	3.7
391.26648	2.8
393.28104	1.2
397.27707	1.9
403.30154	4.1
404.27048	4.9
405.28043	2.8
407.25745	4.7
408.26404	1.7
409.31195	2.7
418.25433	1.9
419.29642	3.3
421.31146	26.5
422.27414	7.6
423.28961	5.0
435.29068	2.1
436.26321	2.6
437.30807	6.5
439.06683	3.5
439.32281	100.0
440.28143	1.2
440.32755	14.9
453.30042	12.8
454.20682	1.7
454.26871	13.6
455.27585	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0825
Annotation	Catechin 3'-O-gallate
Peak:m/z	Relative Intensity
55.46973	0.4
57.03444	2.9
59.01378	1.5
60.41370	0.5
61.98833	0.7
65.62103	0.4
71.01383	0.6
71.28522	0.9
75.00856	0.9
81.03059	0.4
81.03444	2.6
83.01382	3.2
85.02944	1.5
86.26249	0.5
86.33166	0.5
89.02456	0.8
93.03456	1.4
95.01383	0.7
95.05039	2.2
97.02947	6.8
97.53374	0.5
99.04485	0.7
101.02459	1.0
107.05073	0.6
108.02181	0.8
109.02948	23.4
110.03304	1.0
117.03475	0.9
119.05000	3.2
121.02929	3.9
122.03751	1.1
123.00937	0.8
123.04519	14.0
124.04926	0.6
125.02443	18.6
126.02842	0.5
133.02972	0.9
133.05063	0.7
133.06555	0.7
135.04552	2.7
137.02434	16.1
138.03165	1.0
139.04004	3.5
143.04968	0.7
145.02948	5.4
146.03693	0.9
146.67914	0.5
147.04555	1.1
149.02432	4.5
151.00502	0.7
151.04002	10.8
152.04280	0.6
157.06476	0.5
159.04517	2.7
160.05293	1.5
161.02435	3.9
161.04742	1.0
161.06081	7.9
162.03172	2.1
163.04018	5.1
164.01160	3.8
165.01924	5.2
165.04053	0.6
166.02638	0.6
167.03450	2.0
173.06071	1.2
174.03168	0.6
175.04018	2.8
175.07661	2.6
177.05576	1.4
179.03487	8.4
185.05942	1.5
187.04018	5.0
188.04782	4.9
189.02299	0.6
199.07706	0.8
201.05554	1.2
202.06316	2.4
203.07124	16.8
204.07397	1.0
205.05048	10.1
206.05313	0.6
212.04752	1.0
217.08638	0.9
217.10754	0.6
221.08206	2.9
227.07141	2.4
230.05919	0.7
231.02911	1.0
235.06175	1.1
245.08139	18.3
246.08496	0.9
247.05986	0.7
249.07683	0.7
265.07166	2.8
271.06186	1.0
289.07166	100.0
290.07520	7.3
295.10214	1.8
298.98584	0.5
300.99649	0.8
303.04965	2.6
441.08231	18.6
441.13562	1.2
442.08820	2.6
463.23334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3215
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
56.34112	0.3
58.00588	1.2
63.13440	0.3
71.05020	47.9
72.05369	1.1
78.45550	0.4
83.05006	0.9
97.06586	4.0
113.06080	0.6
128.49219	0.4
183.11824	0.4
185.13304	0.4
191.38020	0.4
215.82146	0.4
319.24283	25.9
320.24625	3.2
321.22162	0.8
323.20190	0.7
331.24338	1.4
337.21661	4.2
337.25180	0.5
338.22104	0.4
350.22290	0.4
355.26480	1.1
365.28680	0.6
367.26419	3.7
368.26672	0.5
379.26425	0.7
387.26160	0.4
403.30109	8.3
404.30341	1.3
405.27908	1.5
407.25482	0.4
411.25281	0.8
421.31021	4.7
422.28143	7.8
423.28845	1.5
437.30807	0.7
439.32138	100.0
440.32495	13.4
457.33279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3216
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
54.46927	0.2
59.01367	0.5
61.98825	0.5
71.05017	11.1
72.05371	0.3
72.23133	0.2
83.05019	0.4
97.06602	1.2
98.20717	0.4
100.98980	0.2
118.77587	0.3
123.08208	0.3
137.09714	0.5
165.15210	0.2
173.09720	1.0
175.11249	0.9
183.08179	0.9
185.09744	0.5
189.09253	0.3
189.12799	0.5
193.20518	0.3
215.14577	0.4
255.13803	0.5
255.17714	0.3
257.15366	1.3
259.17068	0.9
273.15112	0.4
287.02002	0.5
287.20044	0.3
291.21268	0.3
293.18958	0.3
307.20587	0.6
309.22131	2.5
310.22632	0.3
321.22345	0.4
323.20139	0.8
325.25400	0.7
337.21555	0.7
337.25339	0.3
339.23264	15.1
340.23648	1.5
351.23251	0.6
353.25116	0.3
355.26385	3.2
356.26764	0.3
367.26331	2.8
368.26721	0.3
379.26465	0.6
393.27902	2.9
395.29547	0.5
403.29938	0.4
407.30164	0.4
409.31097	1.0
421.31384	4.2
422.31619	0.4
423.29031	6.6
424.29376	0.8
439.06638	1.1
439.32166	100.0
440.32541	16.3
440.38873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53539	0.3
55.40530	0.3
69.30578	2.9
76.39858	0.4
76.48293	0.3
78.95903	44.4
79.55798	0.4
79.95737	0.3
82.60838	0.3
85.09336	0.4
96.96006	30.4
96.96954	100.0
153.63741	0.3
184.91103	0.4
203.49641	0.3
214.59201	0.3
255.64256	0.4
345.28278	0.4
384.94165	0.3
439.08578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64586	0.3
67.52834	0.3
70.25721	1.4
78.95905	46.1
79.95736	0.5
96.96014	31.9
96.96964	100.0
240.67433	0.4
251.56487	0.5
269.94223	0.4
439.08514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22866	1.0
57.13173	0.8
59.01375	3.6
61.98816	1.2
69.34036	2.8
69.34456	5.3
71.01402	1.8
75.00832	1.1
77.68422	0.8
82.69019	0.9
93.03464	2.8
95.01360	1.0
96.96001	1.7
98.19899	1.8
109.02929	1.1
118.97092	0.9
121.02957	4.2
122.03730	7.5
123.04578	1.1
125.02425	1.7
133.02950	1.4
135.02974	1.4
136.01675	1.4
137.02444	5.3
140.88943	0.9
149.02438	22.6
150.03224	54.0
151.03769	1.8
152.01208	1.0
161.02484	2.1
164.04779	4.6
165.01926	27.3
165.05556	58.3
166.02226	1.3
166.05884	2.8
169.01387	3.0
177.32201	0.9
179.03435	1.4
180.02687	1.8
180.04276	28.3
181.04791	1.7
185.19002	0.9
191.05640	5.8
195.06613	100.0
196.06868	5.2
232.59860	0.9
243.08661	2.6
277.05807	1.3
301.07187	1.6
316.09485	3.5
331.11905	8.9
391.02838	1.0
391.13971	18.3
392.14438	2.3
395.21912	1.2
439.17249	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	439.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.2
61.98820	2.2
66.97873	0.8
69.21303	6.8
69.21705	2.0
70.23049	0.8
71.01383	8.6
72.99268	1.0
73.02911	1.8
80.33292	0.9
83.01386	1.6
83.04999	1.0
85.02940	3.6
87.00850	1.0
89.02444	3.9
90.27000	0.8
93.03437	2.2
95.01392	1.2
96.96002	1.0
99.00862	1.2
101.02425	5.4
105.03468	1.0
113.02439	2.9
117.03452	1.7
119.05009	1.3
123.00860	1.3
125.02427	5.1
127.69930	0.7
128.06670	0.8
132.01254	1.3
132.02174	20.3
133.02969	17.6
134.03766	13.3
135.02994	1.1
135.04565	4.5
137.02444	4.5
139.03925	0.9
140.01129	1.4
145.03001	2.0
149.04579	1.3
149.06044	2.9
160.01653	89.6
161.02438	40.5
161.04477	1.8
162.02838	1.9
166.99936	1.4
168.00571	1.5
169.01405	7.3
173.04527	1.2
175.03996	96.0
176.04356	3.6
179.03444	3.5
187.07603	2.4
188.08011	1.5
189.08223	1.3
191.05634	3.4
193.05063	13.3
219.03061	1.0
221.04478	1.0
229.01619	1.1
233.07402	0.9
233.11845	1.0
251.05550	1.0
259.02499	1.1
274.01190	2.6
275.01797	1.5
277.16498	1.3
287.01941	3.8
288.02695	3.2
297.06223	3.1
336.36121	1.0
342.05765	1.1
424.13589	2.6
439.07101	13.7
439.16061	100.0
440.06915	2.8
440.16391	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	438.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78802	0.6
57.56866	0.7
59.01389	9.6
61.98830	100.0
69.30946	5.8
71.01380	1.9
72.03544	0.7
89.02444	0.8
98.39611	0.6
115.43493	0.8
135.04555	1.4
160.01659	0.9
161.01990	0.7
179.03497	1.4
180.03770	0.9
236.54356	0.7
287.01852	0.8
341.08252	1.4
344.80145	0.8
375.20203	3.5
439.06851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10110	0.8
59.01373	3.3
61.98826	100.0
69.39381	2.5
69.39802	3.5
69.68721	0.7
71.01382	1.5
72.67072	0.8
79.63239	0.7
84.72540	1.1
104.11831	0.7
104.43162	0.8
127.67296	0.9
135.04501	0.8
139.27652	0.9
187.75134	0.9
218.96838	0.8
324.64438	0.8
375.20093	8.0
399.81131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61349	1.3
58.00581	2.0
59.01378	34.3
60.01719	2.9
61.01810	2.0
61.98830	79.9
71.01359	2.1
71.05021	19.1
71.53269	1.2
74.22105	1.1
83.04993	1.4
87.04469	1.6
89.33131	1.3
97.06625	1.5
101.02464	1.4
106.80901	1.2
131.08658	1.8
169.01363	1.7
195.96997	1.2
205.15872	1.3
229.60364	1.3
235.17020	2.6
287.01923	2.3
323.20026	1.6
323.23825	2.0
337.25211	3.0
355.26627	2.2
367.26550	2.9
383.25818	4.4
393.27869	2.9
403.30176	2.4
409.31097	9.5
411.25211	1.8
419.29117	1.5
421.31033	5.3
422.28162	3.5
437.30527	1.8
438.31009	6.2
439.06628	2.7
439.32211	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	439.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61141	0.6
59.01362	0.6
60.11297	0.5
70.00443	2.2
70.00766	0.6
75.09577	0.5
78.95908	24.4
79.95723	2.0
90.55675	0.5
93.03484	0.7
96.96002	100.0
96.96955	56.4
110.74275	0.6
111.00800	0.5
163.05499	0.5
268.37619	0.5
291.30740	0.6
296.13831	0.6
302.36273	0.5
439.08569	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
61.21680	0.3
64.12085	0.3
69.34876	2.5
71.01371	0.8
75.00865	0.5
78.95902	45.7
79.95735	0.3
89.02488	0.3
96.96035	22.0
96.96957	100.0
103.00327	0.3
111.00845	0.4
112.98809	0.9
115.00410	0.4
141.91760	0.3
145.01416	0.6
217.05203	0.5
231.02811	0.4
263.05746	1.2
304.41357	0.4
412.36673	0.3
439.08377	1.3
439.11560	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	437.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.1
57.03451	5.2
58.00590	4.4
59.01379	100.0
60.01712	1.6
61.98826	1.5
68.99806	1.1
69.03458	1.0
69.47610	7.0
71.01379	83.7
72.99314	5.4
73.02943	15.4
73.95612	0.8
75.62576	0.9
83.01384	14.2
85.02950	29.6
86.00101	2.6
86.50894	0.8
87.00873	5.8
89.02444	61.7
90.02746	1.0
93.03438	0.9
95.01382	3.5
97.02943	3.7
99.00880	7.5
101.02441	52.1
102.02765	1.1
106.54558	0.7
112.01665	1.1
113.02451	26.1
118.09439	0.9
119.03489	2.0
125.02406	2.3
128.50475	0.8
129.01944	1.0
131.03493	20.9
132.02171	7.7
133.02948	2.3
134.03734	4.4
141.12810	1.0
143.03474	2.2
145.65176	0.8
146.04254	0.8
149.04555	11.1
159.02939	3.3
160.01666	31.2
161.02274	0.8
161.04564	15.2
162.04982	0.9
167.87172	0.8
175.03999	32.5
176.04367	1.6
191.05605	5.3
193.05063	3.4
199.83430	1.2
209.11729	1.1
239.16422	1.7
287.18655	2.9
305.19690	63.0
306.20010	6.7
323.18436	1.2
437.18015	25.5
437.23834	76.3
437.30203	2.4
438.18576	2.2
438.24158	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	437.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03911	0.7
59.01374	1.0
71.51572	0.9
78.95478	1.3
78.95905	16.3
86.79636	0.7
91.44048	0.7
105.65885	0.9
110.98464	0.9
113.95036	0.7
125.00089	5.1
152.99602	2.8
181.02699	10.3
199.03740	2.9
255.23280	100.0
256.23621	8.3
269.24799	4.1
437.26471	17.0
438.26984	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	438.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87725	0.4
61.98830	100.0
69.48605	2.2
69.49016	1.0
78.95906	0.9
95.23574	0.4
96.96015	1.4
96.96989	1.7
154.61150	0.4
300.99731	0.5
331.37332	0.4
365.82327	0.5
374.76950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05311	1.5
59.01375	10.5
67.01896	2.1
69.16204	8.0
69.16631	6.5
71.01370	7.8
73.02947	1.8
75.00851	1.7
77.02043	1.2
80.05213	1.4
83.01366	1.7
85.02964	2.8
89.02489	1.5
93.03456	2.1
94.21542	1.4
99.00860	1.7
101.02451	3.5
109.02954	2.5
111.00902	1.8
113.02434	2.9
113.59953	1.5
117.03461	4.3
119.01434	1.7
119.05018	9.4
121.02959	2.0
125.02431	3.7
129.01949	4.3
133.02957	2.1
135.00868	2.2
135.02982	3.8
136.01642	4.9
137.02451	20.4
139.00352	1.7
143.05020	6.7
145.02969	20.5
146.03287	1.7
147.03000	6.4
151.03975	2.9
153.01849	1.8
159.04460	2.0
160.01747	2.3
161.02374	1.9
163.04019	7.7
163.81825	1.8
164.01157	6.6
165.01923	100.0
166.02283	5.5
172.05309	3.5
173.06090	1.5
174.03230	2.8
175.03972	1.7
177.05574	1.5
179.03490	64.0
180.04271	58.4
181.04886	6.1
182.05777	3.8
185.06087	2.3
187.04016	4.0
187.07623	23.4
187.34198	1.7
187.78082	1.4
188.08052	1.5
189.05525	3.8
193.08710	3.0
194.05861	10.0
195.02945	2.5
195.06613	82.6
196.07320	9.1
197.05986	2.4
197.08029	1.9
200.04817	2.1
201.05583	2.6
202.06302	4.3
210.05336	16.8
211.09760	8.3
213.09116	11.7
215.07153	7.9
225.07686	60.5
226.08022	2.7
227.03345	2.0
228.04245	2.3
229.08629	2.6
231.06609	11.8
231.10233	16.9
232.10500	2.0
255.02919	2.1
257.08154	14.6
273.07593	3.9
275.09180	7.2
284.03378	1.6
285.03909	2.1
299.09244	2.0
303.08762	5.7
317.10242	4.7
331.11630	2.6
333.09760	3.1
347.11328	9.4
359.11374	26.5
360.11813	4.1
374.13620	14.8
377.12201	4.2
378.41696	1.5
389.16034	74.4
390.16394	9.0
393.15509	2.4
436.97244	2.1
437.04895	3.7
437.14511	5.2
437.20935	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	437.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90450	0.6
55.01878	6.4
56.33656	0.6
56.84488	0.5
57.03440	4.4
58.00583	1.0
59.01378	34.0
67.15251	0.6
69.03458	1.0
69.34333	5.5
71.01382	48.1
71.05028	0.7
72.99292	2.1
73.02947	26.7
74.03294	0.7
75.00858	1.5
83.01384	11.2
83.52856	0.5
85.02949	28.3
85.03471	1.4
86.00105	1.8
87.00881	1.8
89.02444	10.5
95.01376	4.7
95.97429	0.6
97.02978	2.0
98.19840	1.2
99.00880	13.7
99.73820	0.6
101.02439	54.0
102.02760	0.9
111.00855	2.0
113.02448	18.7
115.57877	0.6
125.02441	2.3
129.01933	1.9
131.03490	1.6
141.12857	1.0
143.03499	2.1
159.02991	4.4
161.04549	18.8
162.04802	0.7
205.03586	0.7
209.11856	1.0
239.16475	0.8
264.29889	0.6
278.05664	0.6
288.07666	0.6
305.19672	74.2
306.20023	6.1
331.07599	0.6
380.13959	0.7
435.47501	0.7
437.23907	100.0
438.24280	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	437.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16080	0.9
59.01389	5.9
68.99811	1.1
71.01389	6.1
73.02940	2.3
75.00873	3.3
81.03458	1.1
82.13384	1.1
83.01408	2.9
85.02957	4.4
87.00865	1.1
89.02457	1.6
93.03487	1.9
94.79228	1.0
95.01410	2.6
96.96016	2.6
98.95626	2.7
99.00903	5.1
99.92588	23.5
100.92719	2.0
100.93364	11.0
101.02458	3.6
101.93382	1.0
107.01392	2.1
108.02191	3.9
109.02956	27.8
111.00890	3.1
113.02402	2.6
115.92078	100.0
116.92086	4.2
116.92854	36.1
117.03459	7.3
119.05028	27.7
120.99654	2.2
121.02957	4.2
122.03761	4.5
123.00887	9.6
123.04549	2.4
124.01654	25.0
125.02446	17.8
126.94946	1.4
127.00373	1.5
132.02177	1.5
132.92332	1.7
133.02975	1.6
134.03743	3.8
135.02997	1.0
135.04451	1.3
137.02501	3.3
138.03282	2.2
139.03970	7.6
142.94432	4.9
145.02956	8.1
149.02451	2.2
151.03909	1.2
152.01131	3.4
153.01936	37.3
154.02283	2.2
161.02469	2.7
162.03267	1.1
163.04005	19.8
165.01924	1.3
166.06441	1.8
167.03488	1.6
167.07129	45.0
167.95145	1.7
168.96033	6.7
169.01410	5.9
169.96239	1.4
177.01807	1.3
181.05106	1.5
187.03632	1.3
187.07776	2.0
189.01930	1.7
190.02737	1.8
191.03511	4.9
191.05637	3.0
194.81311	1.2
201.11330	2.3
210.97017	20.9
210.98892	1.7
211.97145	1.1
217.01520	1.5
218.97560	2.2
219.03073	2.3
228.98112	2.6
234.97079	3.4
244.92711	1.3
244.99255	1.5
245.96404	1.6
246.97052	10.5
247.02461	2.6
257.08197	2.8
262.96536	5.0
263.02066	3.6
275.05420	1.8
278.96042	1.9
291.08762	3.0
297.06097	9.8
301.99701	1.4
303.00345	1.4
311.07687	2.9
313.05740	1.7
319.21225	1.3
357.00687	79.2
358.00903	10.2
375.01895	2.2
437.11011	60.3
438.11227	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	437.1089
Annotation	Fortuneanoside J
Peak:m/z	Relative Intensity
57.03441	3.0
59.01378	12.7
61.98820	5.2
71.01397	6.3
71.51690	1.9
72.99286	2.2
73.02952	2.0
75.00873	6.7
77.03978	1.4
79.95741	1.4
81.03436	2.1
82.95399	1.9
83.01350	2.9
85.02937	4.8
87.00865	2.4
89.02431	4.1
93.03426	2.2
94.98061	2.7
95.01363	5.4
96.96004	6.3
97.02930	4.6
99.00857	1.9
101.02449	3.5
107.01369	2.2
107.72440	1.2
108.02152	6.5
109.02950	96.2
110.00083	1.9
110.03264	3.0
111.00881	7.6
111.04466	1.4
113.02443	3.1
115.92067	3.8
116.92841	2.9
119.03482	1.4
119.05004	2.5
121.02969	9.6
123.00871	4.7
123.04478	1.5
125.02455	20.3
127.07668	2.5
135.03015	6.8
135.04472	1.5
137.02437	27.6
139.00398	2.8
139.03987	2.3
145.02924	3.6
147.04524	2.9
149.02406	4.3
151.00314	2.3
151.03941	3.1
153.00023	1.5
153.01924	21.6
161.02412	5.3
163.00415	2.8
163.03967	3.2
165.01927	100.0
166.02235	4.2
167.03494	2.6
169.01395	5.6
169.02637	1.4
171.04456	2.3
171.06636	2.1
173.02376	3.5
174.03148	2.2
175.03947	1.6
175.60944	1.5
176.01132	1.8
176.28989	1.3
177.01874	3.8
177.03995	3.0
179.03467	4.1
185.06041	1.8
187.04024	3.1
188.01065	1.7
189.01909	17.1
189.05585	6.4
190.02632	7.7
190.99854	1.8
191.03503	25.3
192.03848	1.8
195.05061	3.4
197.04510	11.1
201.01888	1.8
203.03477	2.7
205.01379	2.8
214.16167	1.5
215.03459	4.4
217.01373	23.9
218.01776	2.2
225.02522	1.4
229.01311	4.8
229.04961	2.0
230.02003	2.0
231.02983	5.8
231.06677	3.6
233.04523	1.9
245.00812	2.9
247.02466	2.3
257.00824	2.4
257.04556	10.3
259.02292	1.7
259.11807	3.6
270.98682	1.5
273.00421	1.8
273.04169	1.5
274.01434	2.0
274.04736	11.0
275.02078	7.1
275.05591	93.4
276.05832	5.0
289.07159	4.6
299.05481	1.9
300.99887	12.5
329.06616	2.3
353.08719	2.7
382.02417	2.6
390.52719	3.2
437.11288	59.9
437.16422	7.0
438.11502	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	435.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01716	0.9
66.38227	0.2
69.25652	1.5
69.26057	0.7
148.37790	0.2
148.72682	0.2
157.01057	0.3
165.27690	0.3
204.90897	0.3
239.65247	0.3
272.62326	0.3
277.87207	0.2
435.27582	3.0
436.28137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25758	0.8
59.01381	6.8
59.01661	1.1
61.98830	100.0
69.11732	0.7
69.30817	0.7
71.01402	1.8
71.46845	1.2
75.00873	0.7
85.02964	0.9
89.02441	1.5
96.96011	0.8
99.73174	0.8
101.02496	0.9
102.22326	0.7
109.02978	1.6
111.00892	1.4
113.02407	1.0
115.92103	1.1
116.92873	0.8
117.98786	0.7
123.00898	0.9
125.02482	1.5
127.09359	0.6
128.19690	0.7
135.03046	0.8
135.04601	0.8
153.01974	1.3
161.02498	1.5
163.03999	1.4
169.01418	1.1
177.02013	0.7
178.02707	2.2
189.01973	2.5
191.03542	2.9
193.05025	6.8
202.74109	0.7
217.01411	4.0
243.02887	0.7
274.04794	1.7
275.02795	0.7
275.05746	3.1
291.99057	0.8
373.11554	1.4
436.10413	0.8
437.11502	6.0
437.16702	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	436.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00999	1.5
54.77206	1.5
59.01379	33.9
60.01709	6.5
61.01804	4.8
61.98831	100.0
63.10299	1.8
71.01373	4.2
75.00877	3.9
83.01400	2.1
89.02443	2.5
97.42487	2.2
107.01349	1.9
125.02421	6.9
126.02711	3.4
135.03011	12.5
136.03255	2.1
138.10048	3.1
151.00372	6.1
152.00690	3.8
155.10774	14.5
156.11122	14.7
168.00613	2.1
169.01407	4.5
170.01797	3.9
172.05313	2.8
187.07634	10.3
199.09720	6.7
200.10086	7.5
213.09062	2.9
215.07195	3.1
229.23114	1.9
231.06583	2.1
231.10292	5.7
257.08179	5.0
283.88388	1.8
303.08502	2.2
318.12656	7.5
347.11331	3.8
377.12698	1.9
422.75534	2.0
436.04037	2.2
436.09592	7.8
436.14792	8.7
437.21719	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	435.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01239	1.0
55.01883	1.6
57.03448	1.2
58.00577	2.7
59.01379	100.0
60.01714	1.1
61.98833	13.4
63.60799	1.0
66.17928	1.0
66.48129	1.0
69.03487	1.2
70.42913	1.0
71.01382	54.6
71.53648	1.6
72.92957	1.0
72.99308	3.3
73.02556	1.6
73.02942	21.4
83.01385	4.4
85.02951	13.9
87.00875	4.1
89.02445	75.4
90.02784	1.5
93.03455	2.7
95.01378	5.3
99.00879	68.5
100.01227	2.5
101.02445	29.9
103.25974	1.3
106.83064	1.1
109.02904	1.1
113.02452	41.3
115.46736	1.2
119.03535	14.8
119.05009	3.0
125.02444	2.0
131.03494	12.9
135.02992	1.8
137.02443	4.2
143.03493	4.4
149.04553	39.7
150.04788	1.1
153.01936	6.1
154.78810	1.1
161.04555	18.2
179.05571	6.3
180.06339	1.0
191.05606	37.6
192.05801	1.3
233.06647	4.8
270.98859	1.2
293.08817	2.3
300.99472	1.3
301.99881	1.7
303.00455	2.0
317.17404	8.0
435.04431	2.9
435.22339	44.3
435.27966	1.6
436.22672	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	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03452	2.1
58.00599	2.3
59.01380	100.0
61.98829	14.0
69.22996	9.6
71.01382	54.1
72.01692	1.8
72.99300	4.1
73.02944	17.4
83.01357	2.0
85.02946	14.9
86.03260	1.0
87.00870	2.1
89.02446	73.3
90.02779	1.2
93.03451	2.4
95.01364	5.0
99.00883	71.6
101.02443	26.6
109.02937	1.7
109.10323	1.0
113.02453	37.2
119.03503	16.8
119.04985	1.5
131.03493	12.7
135.03053	1.3
137.02417	3.9
143.03477	4.2
149.03354	2.1
149.04552	38.8
153.01935	5.7
159.03011	1.8
161.04556	18.6
179.05632	7.3
191.05612	32.3
233.06627	5.8
293.08551	2.1
299.99326	1.3
301.99899	1.8
303.00552	1.1
303.18118	1.2
317.17606	6.5
371.32748	1.2
408.71252	1.1
427.70358	1.3
435.04312	1.8
435.22321	39.1
436.22650	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	435.275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21568	0.5
59.01379	100.0
60.01718	1.6
61.01705	0.4
61.98837	1.1
70.85941	1.3
71.01378	0.4
100.58389	0.4
101.02464	0.5
104.78666	0.4
141.85870	0.5
181.65472	0.4
252.04305	0.4
259.36639	0.4
270.97079	0.4
301.99811	1.1
303.00494	0.7
309.21042	0.7
375.25571	1.1
435.04410	0.9
435.23105	0.5
435.28641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57227	1.1
57.03441	2.0
59.01378	30.1
60.01706	1.6
65.00328	1.8
70.03072	1.0
71.01389	4.3
72.99290	1.1
74.48332	1.1
75.00875	14.9
83.01387	6.0
83.05074	0.9
85.02956	1.1
87.00887	1.2
89.02446	3.0
95.50695	1.0
97.02958	1.1
99.00858	2.2
101.04761	1.0
107.01390	3.5
109.02937	1.5
117.01895	2.8
121.02926	1.1
124.01643	1.2
125.02446	16.3
134.43697	1.0
135.02995	46.9
136.03369	1.7
137.09721	14.2
139.11243	1.1
151.00375	22.7
151.04034	2.2
152.00639	1.0
155.10777	100.0
156.11098	5.2
169.01443	11.9
175.00294	1.7
177.01997	1.5
181.08658	1.8
182.51660	1.0
183.04477	1.8
193.01454	1.6
195.90521	1.0
199.09750	52.0
200.10069	3.3
207.62692	1.0
207.64690	1.0
211.03993	3.2
243.12396	1.3
273.03973	3.1
299.11368	1.2
309.69965	1.3
317.12369	29.5
318.12827	1.9
341.06802	2.3
435.09241	30.6
435.15051	38.3
436.09631	3.4
436.15216	2.5
440.66458	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	435.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01157	1.1
59.01385	12.7
60.44087	1.1
67.01900	1.9
71.01365	2.5
75.00855	1.4
85.02950	1.8
89.02448	2.3
93.03459	7.3
109.02958	18.9
123.04507	1.4
135.00867	3.8
135.02965	2.0
135.04498	2.2
136.01613	1.9
137.02455	25.4
138.02924	1.3
145.02957	1.9
151.04002	3.7
153.01926	28.8
154.02225	1.6
161.02420	6.7
164.01144	3.6
165.01915	100.0
166.02267	4.8
176.04773	4.1
177.01851	2.3
177.03983	2.5
178.04485	1.3
179.03479	41.8
180.04271	66.1
181.04582	2.7
189.01920	3.7
191.03401	1.6
194.05829	13.2
195.02953	3.0
195.06610	94.1
196.06888	4.5
209.08206	13.9
210.05315	12.9
217.01346	3.3
225.07671	64.1
226.07986	2.4
281.06699	6.1
300.99695	1.6
301.99686	3.1
329.10147	2.1
341.06552	8.4
357.09814	8.0
370.05261	1.3
372.11652	2.4
373.12332	1.4
387.14520	26.2
388.14584	2.1
391.10083	2.0
417.28452	1.5
435.03912	2.5
435.09552	7.7
435.29504	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	435.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85564	0.6
57.03396	1.0
59.01376	4.2
61.98792	0.9
63.48454	0.6
65.00299	0.8
68.01897	0.6
71.53524	0.7
72.72876	0.6
73.02888	0.5
81.03427	0.7
83.01382	3.2
85.02901	0.6
89.02427	0.7
89.03897	0.8
89.90007	0.7
93.03459	13.3
95.05001	1.1
97.02908	0.7
103.05492	0.8
105.03391	0.8
108.02119	1.8
109.02949	18.8
117.03394	1.7
117.38832	0.6
119.04999	1.4
121.02902	1.5
121.77735	0.5
121.88027	0.6
122.03642	0.7
123.04527	14.3
125.02450	8.4
127.19615	0.6
133.02852	1.2
135.64435	0.7
137.02437	8.4
145.02972	7.3
147.04541	3.8
149.02402	0.8
150.03143	1.2
151.00299	2.5
151.03996	6.0
152.01079	1.7
153.01950	6.9
159.04477	1.5
161.02380	2.3
162.03154	1.1
163.03960	1.3
169.01421	10.5
175.03996	0.9
176.00992	0.7
177.01927	24.3
178.02251	0.9
187.03908	2.4
189.01921	48.9
190.02692	10.0
191.03500	10.5
200.20540	0.5
203.03516	5.6
205.75250	0.8
216.00633	7.3
217.01401	32.4
218.01927	2.6
219.02960	11.7
220.03345	0.9
231.02988	9.8
232.03453	1.1
233.04533	1.1
241.04997	2.1
271.06149	3.6
279.06665	0.6
281.04440	1.7
283.06058	2.6
289.07193	3.8
297.07535	1.0
301.99649	1.1
311.05539	5.2
312.05780	1.0
315.07251	1.1
323.05502	1.3
341.06631	100.0
342.06924	9.9
435.10693	40.5
435.22806	0.9
436.10999	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	435.1291
Annotation	Phloridzin
Peak:m/z	Relative Intensity
54.41132	0.4
57.03452	1.7
59.01379	2.5
61.98833	3.0
63.12706	0.4
63.92481	0.5
65.00328	1.1
65.57318	0.4
71.01378	0.5
71.29742	0.7
81.03458	11.4
83.01378	4.1
87.69432	0.5
93.03459	9.1
94.03803	0.6
95.01414	0.6
95.05038	0.8
107.01382	1.5
119.05024	10.3
121.02927	0.6
123.04525	33.6
124.04865	1.1
125.02451	16.2
134.45190	0.4
135.04529	1.5
136.45465	0.5
149.02440	2.6
151.00381	2.9
153.01927	1.3
161.04597	0.4
163.03966	0.7
166.02647	0.9
167.03493	79.2
168.03833	2.5
169.01393	0.6
169.06546	0.5
177.02000	0.7
179.03511	9.5
180.03900	0.6
189.05521	2.2
191.03598	0.7
193.40012	0.5
220.39218	0.5
228.03915	0.5
229.08661	1.5
232.97926	0.5
255.06650	1.2
257.03635	1.1
258.03998	0.6
273.07675	100.0
274.08063	6.4
285.03757	0.5
286.04056	1.2
287.04355	1.4
288.04620	1.9
289.05026	1.2
297.07816	0.6
341.06705	0.9
380.93945	0.4
382.76779	0.5
435.05264	0.7
435.11429	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70215	3.2
59.01384	6.5
63.25911	3.4
69.80135	16.3
71.01389	6.7
87.00872	4.2
98.19945	4.5
101.02480	3.3
137.94698	3.1
145.02931	4.9
149.02440	29.5
150.03223	43.0
154.62909	4.0
164.04782	18.5
165.05563	100.0
166.05908	5.9
169.01468	3.9
195.06563	33.7
316.87030	3.4
327.10834	24.3
339.08102	4.0
359.76236	3.8
408.09595	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	435.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57227	1.1
57.03441	2.0
59.01378	30.1
60.01706	1.6
65.00328	1.8
70.03072	1.0
71.01389	4.3
72.99290	1.1
74.48332	1.1
75.00875	14.9
83.01387	6.0
83.05074	0.9
85.02956	1.1
87.00887	1.2
89.02446	3.0
95.50695	1.0
97.02958	1.1
99.00858	2.2
101.04761	1.0
107.01390	3.5
109.02937	1.5
117.01895	2.8
121.02926	1.1
124.01643	1.2
125.02446	16.3
134.43697	1.0
135.02995	46.9
136.03369	1.7
137.09721	14.2
139.11243	1.1
151.00375	22.7
151.04034	2.2
152.00639	1.0
155.10777	100.0
156.11098	5.2
169.01443	11.9
175.00294	1.7
177.01997	1.5
181.08658	1.8
182.51660	1.0
183.04477	1.8
193.01454	1.6
195.90521	1.0
199.09750	52.0
200.10069	3.3
207.62692	1.0
207.64690	1.0
211.03993	3.2
243.12396	1.3
273.03973	3.1
299.11368	1.2
309.69965	1.3
317.12369	29.5
318.12827	1.9
341.06802	2.3
435.09241	30.6
435.15051	38.3
436.09631	3.4
436.15216	2.5
440.66458	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	435.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71193	0.8
59.01364	1.9
69.03440	1.8
69.22727	2.4
69.23134	7.2
71.32700	0.9
79.01877	1.4
81.03426	1.5
83.01398	1.1
93.03456	8.7
95.01373	2.1
97.02935	2.7
98.20673	2.2
107.01376	1.4
108.02135	2.0
109.02953	14.1
117.03446	1.6
119.05009	1.3
121.02948	8.4
123.00883	7.0
123.04531	12.3
124.00854	1.4
124.01662	16.7
125.02444	51.1
126.02738	1.4
133.02896	2.2
135.04468	1.1
137.02480	2.2
145.02940	6.4
147.04501	3.1
149.02376	1.8
149.99580	32.3
150.03276	1.1
151.00267	3.0
151.03998	7.5
159.04541	1.4
161.02390	1.9
168.00635	52.1
169.01276	4.2
177.00537	1.7
177.01929	22.6
180.18408	1.0
187.04008	2.6
189.01932	42.7
190.02690	9.2
191.03468	6.4
192.28685	1.0
203.03423	4.9
216.00652	7.0
216.99446	2.0
217.01393	25.4
218.02028	2.8
219.02986	9.7
231.03014	8.7
232.03386	1.0
233.04292	1.0
241.04938	1.3
271.06079	3.5
281.04501	3.6
283.06143	2.0
289.07083	4.1
297.07477	3.1
311.05536	4.4
313.05466	2.1
341.06638	91.6
342.06903	8.5
352.85550	0.9
417.07986	2.9
422.82257	1.1
435.09439	100.0
436.09784	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69956	1.3
57.03431	3.8
58.58854	1.0
59.01155	1.2
59.01377	12.7
61.98830	2.0
71.01387	2.0
80.68442	1.2
81.03461	2.7
83.01390	8.1
88.50366	1.0
93.03458	64.9
94.03787	2.5
95.05012	2.2
107.01353	1.8
108.02161	8.5
109.02953	89.3
110.03243	2.4
117.03444	2.7
119.05020	2.0
121.02941	3.0
123.00863	2.2
123.04523	13.3
125.02443	30.9
132.08798	1.2
133.02937	2.4
134.67076	1.3
135.04491	1.4
137.02443	96.8
138.02763	3.5
145.02942	7.6
147.04495	5.1
149.99364	1.2
151.00372	11.0
151.04031	7.7
152.01158	11.4
153.01932	89.4
154.02267	2.1
159.04552	1.5
161.02391	1.8
163.03841	1.3
168.00517	1.9
169.01416	42.4
169.06378	1.1
170.01752	2.1
177.01917	22.0
187.03931	2.7
189.01924	48.7
190.02673	11.8
191.03477	9.2
203.03439	7.5
216.00668	6.7
217.01411	33.3
218.01921	1.4
219.02954	10.3
229.08603	1.5
231.02951	8.9
233.04576	1.5
241.04985	3.2
271.06039	3.8
283.06158	2.6
289.07089	2.8
297.06027	9.8
299.98929	1.8
301.99527	1.3
311.05530	4.4
315.07239	20.9
323.05557	1.8
341.06638	90.4
342.06912	9.8
375.24078	1.2
435.09549	100.0
436.10190	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	435.0932
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
53.98281	0.7
54.82279	0.7
59.01366	1.0
68.45930	0.6
68.94245	0.8
69.03439	3.0
69.58040	1.5
69.58440	4.2
79.01884	1.6
81.03443	1.0
83.01376	2.5
83.02229	0.8
93.03443	3.4
94.99303	0.7
95.01379	1.6
95.05001	0.8
97.02934	3.1
107.01365	2.4
108.02149	1.1
109.02956	9.3
119.05014	1.3
121.02945	10.7
123.00888	8.4
123.04522	6.9
124.01659	21.8
125.02443	64.0
126.02734	0.9
133.02959	1.3
137.02411	3.6
142.34572	0.7
145.02904	3.3
147.04515	1.3
149.02501	1.2
149.99577	38.9
151.00397	3.6
151.03969	4.0
161.02373	0.9
165.01970	0.9
167.03419	2.0
168.00633	74.4
169.01360	5.7
177.01924	9.8
187.03905	1.4
189.00314	1.3
189.01927	18.8
190.02692	4.2
191.03432	2.9
203.03510	1.7
216.00594	3.3
217.01389	11.2
218.02020	1.0
219.02922	3.2
229.05104	1.4
229.08669	1.1
231.02899	3.2
271.06079	3.5
281.04343	2.3
283.05960	0.9
289.07175	1.1
297.07574	1.5
313.05594	2.3
341.06613	42.3
342.07034	5.5
381.17105	0.9
417.08105	3.0
435.09305	100.0
436.09750	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	435.0932
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
55.29976	0.7
59.01380	8.5
67.01897	1.3
69.03468	1.1
71.01379	8.9
72.99328	0.8
73.02932	1.1
79.01876	2.4
83.01384	1.1
85.02937	1.8
87.54017	0.7
89.02454	0.7
93.03450	0.9
95.01390	3.1
97.02984	1.3
98.19839	1.5
101.02442	2.4
107.01385	9.1
109.02976	0.9
111.00895	1.2
113.02448	2.8
121.02957	43.6
122.03265	1.3
123.00886	33.9
124.01726	0.9
125.02448	37.9
126.02785	1.3
135.04529	39.0
136.04848	1.2
137.02438	1.6
139.00372	10.7
139.03928	0.8
140.01115	2.0
141.01926	3.4
142.96497	0.7
145.99730	0.8
151.00363	26.9
152.00694	0.9
153.01982	5.9
154.30037	0.8
163.04051	2.0
165.01897	2.2
167.03516	1.3
168.00679	3.6
169.01422	68.8
170.01746	2.2
179.03493	1.3
182.02135	0.8
183.02904	1.4
193.01398	2.2
195.03087	0.9
211.02463	12.5
225.07674	0.7
228.94513	0.7
243.93265	0.7
253.03514	2.1
301.99847	0.9
313.05597	9.4
315.07410	1.7
375.07117	1.5
430.22006	0.7
435.09283	100.0
436.09674	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	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.3
60.01680	1.0
61.98827	11.7
65.06471	0.9
71.01369	4.2
71.53752	1.7
81.03047	1.1
81.03461	11.1
83.01366	5.0
85.02937	3.6
89.02486	1.1
93.03458	69.2
94.03751	1.1
95.01396	2.0
95.30541	1.0
97.02942	1.4
107.01380	1.6
108.02169	60.9
109.02962	25.4
109.83313	1.1
113.02431	1.2
119.05025	13.9
121.02924	1.7
123.04523	24.4
124.01666	1.3
125.02454	10.7
133.03070	1.2
135.04495	1.3
137.02440	100.0
138.02769	4.2
149.02417	1.8
151.00337	2.5
151.04045	2.1
152.01151	83.5
153.01936	36.3
163.03976	2.9
165.01845	1.3
165.05518	1.4
167.03490	55.7
168.00635	1.7
168.03880	2.3
169.01276	1.1
177.01978	1.4
177.05475	1.2
179.03438	4.1
180.62885	1.1
181.05066	2.2
189.01862	1.5
189.05576	1.4
191.03485	9.1
209.04486	3.9
221.04451	1.8
229.08633	1.3
273.07672	77.9
274.08002	3.7
297.06271	16.4
300.99615	1.3
301.99783	2.3
315.07083	18.0
327.08792	2.7
341.06488	2.9
382.96515	1.2
411.85254	1.1
435.09189	95.0
436.09515	9.8
454.40714	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76260	0.8
54.94416	0.9
55.01881	0.9
55.82845	0.8
57.03440	6.7
59.01380	19.1
61.30438	0.8
61.40904	0.7
69.03456	2.3
69.38479	7.3
71.01379	16.6
71.05016	0.9
73.02950	7.2
77.52659	0.7
83.01387	4.2
83.05033	1.0
85.02951	8.8
87.00859	1.4
89.02448	1.7
95.01350	1.2
95.03617	0.9
97.02906	0.9
97.06590	1.1
99.00883	2.9
101.02443	16.8
111.08158	12.8
113.02457	7.6
113.05709	0.8
114.02837	0.9
153.09227	1.1
159.02962	1.4
161.04555	8.1
165.12845	100.0
166.13159	6.0
181.12334	1.3
183.13898	63.3
184.14197	3.4
191.10815	2.7
198.66728	0.9
209.11809	10.1
214.22951	1.0
223.08214	16.3
227.12836	8.3
244.78304	1.0
299.99100	28.1
300.02518	1.7
300.99893	15.2
301.03317	1.4
419.13785	1.0
433.04169	16.8
433.20746	76.3
434.21042	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	433.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.72066	0.9
61.42217	0.9
61.98834	1.1
69.21249	4.6
69.21674	4.2
71.01395	4.8
73.02941	1.3
73.83209	0.8
83.32179	0.9
85.02950	1.5
89.02435	2.0
99.69965	1.0
99.95279	0.8
101.02452	4.0
107.01334	0.8
113.02454	1.2
119.03466	0.9
121.02924	0.9
125.02448	1.2
136.12451	0.8
151.00404	2.8
161.04573	2.7
178.99818	1.6
210.42047	0.9
240.40987	0.9
243.02988	1.9
255.02942	3.1
271.02417	4.0
299.99069	22.7
300.02686	8.2
300.99796	14.0
301.03506	13.4
302.00336	1.2
302.03601	1.5
373.22217	4.3
391.27930	1.1
433.03372	10.2
434.04520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0929
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
50.75375	0.5
54.25109	0.6
57.24110	0.6
58.84499	0.5
59.01381	2.9
68.03811	0.6
71.01378	5.1
73.02934	1.8
75.00868	3.0
76.58834	0.5
79.57227	0.5
81.03458	1.1
82.23187	0.6
83.01387	1.1
85.02950	4.7
89.02438	1.4
93.03458	14.0
95.01385	2.0
98.20701	0.9
99.00867	0.8
101.02427	4.4
108.02170	52.8
109.02953	42.2
109.04041	0.8
110.03260	1.5
113.02423	2.2
121.02956	1.0
123.00887	1.4
127.33824	0.6
133.02956	0.6
135.02991	9.1
135.04480	0.6
136.01640	2.0
137.02440	23.2
137.09743	1.1
138.02763	1.3
147.04491	0.7
151.03998	1.0
152.01144	67.2
153.01933	37.3
154.02310	1.2
155.10779	9.9
161.02438	1.0
163.04025	0.9
165.01884	1.7
179.03459	1.5
180.04405	0.7
187.48474	0.6
199.09726	5.7
215.69907	0.5
220.43106	0.6
281.06650	5.8
287.15207	0.7
299.99210	1.2
300.99429	0.7
301.99759	2.0
303.00229	1.0
303.37027	0.6
315.07208	11.2
315.10565	0.9
316.07446	0.7
317.12418	3.8
391.10440	2.1
435.09305	100.0
435.14487	4.6
436.09634	11.6
436.15308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11502	0.8
56.04383	0.7
56.37553	0.7
59.01380	100.0
69.59300	4.9
71.01388	1.3
96.32359	0.9
101.86069	0.7
113.02427	0.8
128.11751	0.8
150.37743	0.7
167.85931	0.6
181.05086	5.1
196.07439	5.1
211.09723	7.5
286.62311	0.8
288.96594	0.8
299.99164	2.1
301.00003	1.2
333.21643	0.9
433.04187	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	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67342	0.3
56.36585	0.3
59.01379	100.0
60.01706	0.8
71.01398	0.7
73.02968	0.3
80.37949	0.3
85.02970	0.4
87.08775	0.3
89.02492	0.4
94.23244	0.4
98.20756	0.8
101.02438	0.6
102.02084	0.3
113.02450	0.4
125.02529	0.4
128.34157	0.4
143.03670	0.3
184.29277	0.3
229.63106	0.6
299.99222	1.1
300.99911	1.3
313.51138	0.3
338.47183	0.3
433.04288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61669	0.4
59.01379	100.0
60.01723	1.3
61.98832	8.8
69.24192	3.4
69.24603	0.6
71.01382	2.5
73.02940	0.6
75.31667	0.4
85.02956	0.6
89.02454	1.7
93.03448	0.4
101.02440	0.9
107.01432	0.6
113.02447	1.1
119.05061	1.3
125.02404	2.3
135.04550	0.6
145.02977	1.6
151.00365	2.2
161.04607	0.7
179.05693	0.4
255.02948	0.7
271.02682	0.6
271.06247	2.7
299.99173	13.3
300.02823	2.3
300.99847	9.6
301.03217	0.6
307.08295	0.9
331.17862	0.7
433.03992	7.6
434.04404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03518	0.5
59.01377	100.0
60.01716	0.9
69.18240	5.9
69.18621	1.3
71.01393	2.0
85.02962	1.1
101.02437	1.5
113.02463	0.7
133.61153	0.5
151.00343	1.0
161.04564	1.2
163.00433	0.7
271.02570	1.3
299.99277	2.8
300.02853	2.4
300.99966	1.8
301.03616	4.0
373.18478	0.6
373.22623	2.1
433.03708	1.3
433.08612	1.0
445.37698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
52.18873	0.5
53.12831	0.5
59.01440	15.3
62.24841	0.5
62.45958	0.5
63.02466	2.4
65.00389	7.0
66.91156	0.6
69.32706	1.4
69.33121	3.7
71.01446	2.2
81.03478	0.6
83.01388	3.9
89.02523	2.1
93.03465	8.0
95.01433	0.8
98.20749	1.1
100.51707	0.5
101.02473	1.2
107.01388	13.1
108.02221	0.7
108.70453	0.5
109.03021	0.7
113.02533	1.3
117.27647	0.6
119.03737	1.6
119.05025	35.9
120.05458	1.2
121.03020	2.4
122.03743	15.8
125.02474	2.8
131.01440	0.8
131.29521	0.7
135.00999	0.7
135.03043	1.2
135.04526	4.5
145.03032	1.8
148.01601	0.6
151.00368	45.1
152.00784	1.5
153.01938	0.8
153.77885	0.7
156.14613	0.5
161.02499	1.0
161.06148	0.5
164.01224	1.1
165.01996	2.0
165.05620	1.8
169.01454	0.6
172.01662	1.1
175.00427	2.3
177.01907	5.5
177.03046	0.4
177.05672	0.7
185.06087	1.1
187.04131	1.0
189.01999	0.6
193.01462	0.8
201.02063	0.6
201.73830	0.7
204.04189	0.5
216.00700	1.1
227.07098	1.3
228.00743	0.8
229.01468	0.6
243.02895	0.7
244.00124	1.1
245.00974	0.7
245.45428	0.5
255.03006	1.9
271.06104	100.0
271.99527	1.3
272.03439	0.6
272.06378	8.2
295.06113	1.5
299.99136	41.2
300.02631	4.9
300.99860	26.9
301.03366	2.4
302.00226	1.7
313.07065	1.0
315.05399	0.6
373.13055	0.7
389.12546	1.1
390.12033	0.6
401.01044	1.6
433.03833	21.2
434.04236	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36146	0.5
52.62395	0.5
55.01855	0.6
57.03429	0.6
58.85168	0.6
59.01379	16.8
61.98817	2.4
63.42512	0.5
65.86758	0.5
69.92507	1.3
69.92899	1.4
70.95822	0.5
71.01381	9.8
72.99307	1.0
73.02944	1.6
75.00865	0.8
78.43126	0.5
81.39558	0.6
83.01382	1.0
85.02940	2.8
87.00881	0.6
89.02443	7.1
93.03458	33.2
94.03801	0.9
95.01365	1.1
97.02941	1.1
98.20686	0.5
100.16807	0.5
101.02441	6.0
107.05016	1.0
108.02184	1.5
109.02950	2.6
113.02439	3.4
119.03497	1.7
121.02950	0.8
123.00907	0.9
123.04505	1.3
124.01669	1.6
125.02438	4.8
126.02779	0.7
133.05124	0.9
135.04518	2.3
136.01665	7.2
137.02440	100.0
138.02760	3.6
139.03996	2.7
149.02443	2.5
149.99559	0.5
151.03978	3.9
151.06105	4.0
153.01939	2.3
161.02446	6.0
163.03986	1.1
168.00566	3.0
169.01414	1.4
177.04042	0.6
179.03484	28.3
180.03825	1.6
191.05605	1.2
209.04582	3.7
215.00215	1.8
221.04504	1.1
239.05591	19.1
240.05994	0.7
255.05440	0.6
258.99246	1.5
271.06033	0.7
281.06641	4.0
285.07736	0.9
299.07581	3.7
299.70642	0.6
299.99124	2.5
300.99905	1.9
313.07181	1.6
415.03134	0.6
433.05020	6.3
433.13504	89.2
434.13718	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	433.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77979	0.6
62.48374	0.5
68.49744	0.5
69.81944	3.0
98.20644	0.7
132.02094	0.7
160.01581	0.6
172.01633	2.3
173.02415	1.0
185.02461	1.3
188.01154	1.0
200.01076	2.2
201.01814	1.3
216.00650	3.0
228.00607	2.8
229.01268	1.6
242.99274	1.5
244.00050	4.3
245.00780	1.1
257.00656	1.1
270.98907	0.8
271.99600	2.3
282.98788	2.8
283.99545	1.2
298.98364	0.9
299.99088	100.0
300.99829	77.6
302.00317	4.3
335.83932	0.6
433.04083	76.6
434.04459	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	433.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40475	0.5
59.01377	9.8
59.11982	0.5
65.00304	1.4
69.19227	4.0
69.19644	1.9
83.01364	0.8
99.92551	0.6
107.01380	3.3
108.02139	1.8
109.02937	1.0
121.02959	2.6
135.00806	1.4
148.01622	1.9
149.02489	0.6
151.00356	11.0
163.00368	3.5
164.01115	0.6
165.68230	0.5
174.03250	0.6
178.99873	6.8
187.03915	0.6
199.04008	1.1
211.04015	1.6
216.04260	1.0
226.02681	3.1
227.03409	3.9
229.04922	1.4
243.02980	15.1
244.03532	0.9
245.04448	2.2
254.02228	3.4
255.02982	30.5
256.03387	1.6
271.02463	68.9
272.02856	6.9
273.04138	0.9
283.02451	1.8
296.85501	0.6
299.01904	1.5
300.02719	100.0
301.03461	57.3
302.03812	2.4
433.07767	47.5
434.08179	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	433.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
60.17933	0.5
69.03453	0.8
70.06682	2.0
71.01383	0.8
89.02441	1.0
92.15108	0.5
95.01383	0.7
97.02951	0.6
98.19908	0.6
104.39410	0.5
113.63824	0.5
123.00888	7.4
124.01669	27.3
125.02457	23.8
126.02814	0.6
149.99583	38.1
151.00146	1.7
167.03493	0.6
168.00638	100.0
169.01270	6.2
179.03519	1.0
191.25029	0.6
239.05545	0.7
283.04529	0.7
296.58966	0.6
301.05737	2.4
389.10803	0.5
415.08716	1.1
433.09842	98.3
434.10172	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	432.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	62.3
60.01712	1.6
61.98828	100.0
62.98530	0.8
67.07843	0.8
71.01379	8.9
72.99287	1.2
73.02946	1.0
73.06033	0.7
83.01363	1.2
85.02937	2.2
89.02444	8.1
90.02796	0.9
91.95079	0.7
98.33996	0.7
101.02433	5.5
113.02432	3.9
117.09570	0.8
119.03497	3.1
119.05004	0.9
125.02402	1.9
135.03004	4.1
137.02391	0.9
145.02997	1.8
151.00328	1.1
161.04506	1.5
163.03935	1.6
179.05566	1.1
199.04085	1.0
211.03900	0.8
216.00784	1.0
227.03477	3.1
243.03012	1.5
253.14494	0.9
255.03058	4.3
256.03531	1.0
257.04471	1.3
271.02502	4.9
271.99496	1.4
281.00897	0.9
284.03311	1.4
285.03952	4.6
298.01016	1.1
299.99179	47.6
300.02640	9.5
300.99911	25.5
301.03378	3.7
311.46310	0.9
335.41086	1.0
338.27563	0.9
373.05600	2.5
433.03610	26.1
433.14218	1.5
433.20023	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61814	0.4
59.01363	0.4
67.39088	0.4
69.45528	2.8
95.20152	0.4
132.02187	0.4
136.32281	0.4
144.02153	0.6
148.01680	0.5
160.01628	1.1
172.01654	1.9
185.02399	1.0
188.01158	1.1
194.62259	0.5
200.01151	2.2
201.01889	1.1
216.00589	4.6
225.39960	0.4
226.99960	0.8
228.00648	1.6
229.01360	1.4
238.23343	0.4
242.99326	2.3
244.00082	4.0
245.00780	0.4
257.00833	0.6
270.98880	0.8
271.99619	1.9
282.98834	1.5
283.99628	1.5
298.98203	1.1
299.99091	100.0
300.99817	55.1
302.00305	3.4
337.07410	0.5
358.42685	0.4
433.04086	55.4
433.13699	1.5
434.04413	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	433.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.3
65.05693	0.7
68.75367	0.7
69.46994	4.4
69.47372	0.6
71.01376	0.9
93.03451	11.7
96.09850	0.6
98.20669	1.3
101.74863	0.6
116.60614	0.6
125.02411	1.1
135.02994	3.3
137.02440	25.4
160.01585	0.7
163.04053	1.1
169.01363	1.2
172.01694	1.1
179.95746	0.8
200.01082	2.6
201.01895	1.2
216.00677	3.5
219.97395	0.6
226.99947	0.7
228.00677	1.2
229.01514	1.0
242.99207	1.0
244.00124	2.6
257.00900	1.1
258.99301	0.6
271.99609	1.6
282.98950	1.0
283.99551	1.2
298.98291	1.1
299.99094	100.0
300.99820	49.0
301.03409	0.9
302.00290	3.5
433.04086	73.9
434.04410	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	432.078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03897	0.6
52.70522	0.5
53.40216	0.5
54.85021	0.5
55.01890	0.6
55.42800	0.5
57.03452	4.4
59.01379	29.5
60.01714	2.6
61.98828	100.0
65.93429	0.5
71.01377	11.8
71.52371	0.7
71.52766	0.6
72.01739	1.7
72.99304	0.6
73.02942	4.3
74.02476	2.2
74.03262	0.8
76.10077	0.6
78.92862	0.5
81.03464	0.5
81.91210	0.6
82.03802	0.5
83.01392	2.1
85.02939	5.5
85.47058	0.7
85.54423	0.5
86.03294	1.4
87.00884	1.9
87.04536	0.6
88.98781	0.8
89.02420	2.9
90.02777	0.5
93.03477	0.7
95.01387	1.5
95.04996	0.7
97.02942	1.0
99.00900	1.7
101.02439	9.9
102.02785	1.9
105.03515	0.9
108.02166	0.7
109.02950	3.7
111.00947	0.7
113.02435	4.0
114.02814	1.0
115.00362	3.0
116.03548	2.0
119.03514	1.1
121.02905	1.1
122.03771	1.3
123.04507	7.0
125.02443	25.8
126.02813	2.0
133.02927	1.4
135.04543	1.7
137.02464	2.4
143.03534	0.6
145.08682	0.6
147.04527	0.5
149.02505	1.5
150.03238	1.1
151.04012	9.4
159.02963	0.9
161.02443	5.8
161.04494	4.8
162.02812	0.9
162.04903	1.2
163.04018	2.6
164.01099	0.9
165.01979	1.4
167.03552	0.7
169.01387	1.1
175.02486	10.9
175.03966	1.5
177.01959	2.0
179.03531	1.6
180.03874	0.6
193.05017	0.6
194.05838	0.8
195.06248	0.6
205.01367	0.7
205.05095	0.8
209.08217	2.3
210.08557	1.7
243.03023	1.6
243.06549	1.0
245.04488	0.9
245.08177	0.8
255.03246	0.6
257.08319	1.1
269.10403	2.6
270.10626	3.8
271.06326	0.8
285.07764	3.3
287.05743	1.6
289.07144	4.1
290.07507	0.8
297.07663	1.4
299.99161	2.1
300.99899	1.3
308.73914	0.7
313.07166	9.5
315.08759	1.0
329.19675	1.3
341.78940	0.5
343.08127	3.7
407.07852	1.0
432.16064	4.6
432.22314	1.4
433.04874	1.1
433.11490	3.3
451.09897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32249	0.8
50.56451	1.0
57.03442	1.3
59.01377	68.5
60.01703	1.8
61.01788	1.2
61.98828	100.0
64.22344	0.8
69.36642	3.7
69.37064	3.8
71.01379	9.1
72.99301	1.0
73.02941	1.9
85.02943	3.0
87.78800	0.8
89.02448	10.9
96.22800	0.8
101.02462	6.1
102.15633	1.0
113.02435	3.1
119.03505	2.9
125.02425	2.8
135.02972	4.0
142.60809	1.0
145.02943	2.3
148.83365	0.9
151.00333	1.3
161.04547	2.5
163.00328	1.2
163.04007	1.8
169.01482	0.9
179.05574	1.4
199.04047	1.1
206.75893	0.9
216.00565	1.5
225.01826	1.0
227.03514	2.3
242.99338	1.1
243.02823	1.0
243.99857	2.1
255.02988	3.7
271.02426	7.3
271.99423	1.1
282.98740	1.2
284.03143	1.8
285.04056	5.2
298.01144	1.2
298.98236	1.3
299.99149	47.9
300.02640	7.7
300.99927	26.9
301.03406	4.6
373.05646	2.2
432.14670	1.1
433.03732	29.5
433.20514	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	432.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70927	0.8
59.01102	1.0
59.01379	8.8
61.98828	100.0
69.54485	5.9
78.16357	0.9
87.51805	0.8
89.02425	1.0
138.73409	0.9
153.50314	1.0
172.14561	1.0
195.62485	1.0
228.03857	2.4
244.00523	1.2
254.58780	1.0
256.03366	2.2
271.99741	1.1
284.03281	1.0
285.03879	3.1
286.04330	4.0
299.99112	23.2
300.02295	1.3
300.99875	10.1
356.08295	1.2
383.09961	1.0
432.10242	7.7
433.04077	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	431.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.2
71.53593	0.7
75.00906	0.5
76.93558	0.6
78.95901	70.0
86.03854	0.4
89.07574	0.4
96.96968	5.4
101.02493	0.5
102.32153	0.4
147.57628	0.6
150.98016	1.7
152.99579	100.0
153.99919	1.3
171.00688	2.7
223.43944	0.4
227.03491	3.1
229.05002	0.5
235.55556	0.5
255.03023	3.6
277.21771	1.1
284.03220	3.3
285.04044	4.4
289.78146	0.5
431.09866	3.2
431.22083	9.5
432.22302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80678	0.3
53.82866	0.3
55.01880	0.8
57.03445	1.3
59.01379	100.0
60.01715	1.4
69.25893	3.2
71.01382	15.1
72.01715	0.3
72.99315	0.6
73.02949	4.1
75.00887	0.7
83.01369	2.1
83.93509	0.4
85.02949	6.5
86.61806	0.3
87.00866	0.9
89.02447	4.3
95.01408	0.8
97.02969	0.6
99.00871	2.0
101.02442	8.5
102.02784	0.5
107.70437	0.4
113.02461	7.2
113.03167	0.6
113.27596	0.3
119.03526	1.9
125.02471	0.9
143.03516	1.2
147.11838	1.1
159.02983	0.5
161.04552	4.4
179.05678	1.0
186.87415	0.3
227.16492	0.4
285.04086	0.5
371.20697	5.6
372.20923	0.5
389.21799	16.1
390.22333	1.5
393.17496	0.5
431.23077	1.8
452.26840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03446	1.2
58.18073	0.6
59.01380	100.0
60.01711	1.4
61.98814	1.0
71.01382	9.4
73.02956	3.4
83.01405	1.6
85.02943	3.8
87.04510	3.8
89.02452	2.5
90.39684	0.7
93.03481	0.8
95.01396	1.1
99.00889	1.5
101.02445	7.7
107.01396	1.5
113.02441	5.5
114.35244	0.6
121.03005	0.7
123.04519	1.1
125.02417	1.1
135.00877	1.6
145.02951	2.5
151.00415	1.0
152.79860	0.6
159.02972	1.8
159.04501	0.9
161.04541	5.5
163.00389	1.9
164.18030	0.9
177.13422	0.6
185.06136	1.0
187.04004	1.6
199.04012	0.7
211.04021	1.6
213.05576	0.8
227.03491	38.4
228.03925	2.7
229.05066	5.1
230.05542	0.7
239.03537	1.1
241.04988	0.8
255.02975	49.1
256.03555	7.7
257.04425	3.7
269.04623	0.9
269.15073	1.0
269.17499	5.0
284.03259	45.8
285.04010	61.2
286.04453	4.6
371.20755	13.6
372.21088	1.7
431.09802	50.7
431.22525	1.6
432.10123	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
59.01380	100.0
59.72548	0.5
60.01713	1.1
61.98841	1.1
69.03462	0.7
70.67123	1.3
70.71571	0.6
71.01385	4.3
72.56835	0.5
73.02960	1.8
74.99093	0.6
81.03474	0.6
83.05032	1.7
85.02958	2.2
88.98801	1.0
89.02442	0.9
93.03451	1.2
99.00880	0.7
101.02452	2.9
107.01406	0.7
107.62672	0.6
111.08163	2.1
113.02467	2.1
121.02969	0.7
125.02477	0.6
135.00946	0.7
148.40366	0.6
161.04611	1.2
163.00380	0.8
165.12851	17.2
166.13184	1.3
166.92078	0.6
177.01976	2.0
179.03572	0.7
183.13902	13.8
184.14241	0.7
208.03867	0.7
209.11838	2.0
211.03996	1.0
221.10281	1.6
221.15630	0.7
223.06209	0.7
227.03499	14.0
227.12868	8.6
229.05063	2.3
233.11856	0.7
241.01401	0.7
249.15027	1.1
251.12892	1.6
255.02983	21.6
256.03448	1.7
257.04544	1.9
263.12808	1.3
265.14514	0.9
269.13983	1.2
275.12888	0.7
284.03238	19.1
285.04016	26.8
286.04443	0.8
293.13919	6.4
326.34134	0.5
345.15640	0.6
371.16882	1.1
371.21030	0.9
431.09882	19.0
431.22705	10.8
431.32208	0.9
432.10159	2.3
432.23029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01394	0.6
68.57808	0.3
69.37228	2.0
75.89261	0.3
78.95903	53.9
96.96956	5.7
122.32208	0.2
125.96449	0.3
135.16270	0.2
150.98018	1.6
152.99583	100.0
153.99942	1.8
171.00641	4.1
208.42307	0.3
227.03561	0.8
255.03017	1.2
277.21878	0.4
284.03308	0.7
285.04053	1.1
316.55991	0.3
366.70862	0.3
381.50748	0.3
382.92853	0.3
431.09830	0.7
431.22079	4.7
431.27756	0.4
432.22647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74498	1.9
59.01380	10.0
59.68906	1.8
60.99307	15.1
61.98825	5.8
66.62494	2.0
70.84322	2.3
70.84631	2.9
71.01369	4.6
73.15472	2.0
87.00895	2.4
88.98808	100.0
89.02447	65.8
96.96016	2.3
101.02462	3.3
117.74032	1.9
119.03513	2.0
122.82137	2.2
135.02931	3.6
284.51349	2.3
341.11105	10.0
376.02554	2.0
394.05118	2.5
398.23798	2.1
420.19293	2.1
424.05914	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	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
59.01377	100.0
60.08733	0.8
61.98822	7.6
71.01385	8.3
72.37639	0.8
73.02938	3.6
75.00854	0.8
83.01390	2.0
85.02927	2.6
87.00864	2.0
88.98797	1.3
89.02439	2.5
101.02447	6.9
113.02453	3.8
125.02448	5.5
137.02364	1.8
139.92508	0.9
151.03990	1.4
161.02393	3.6
161.04550	3.5
168.00735	1.0
169.01398	3.9
176.04803	1.5
179.03473	5.5
191.07121	1.0
194.05872	6.6
209.08189	17.0
210.08521	0.9
229.70273	0.9
269.10294	4.1
271.04507	1.3
360.61029	0.9
412.00870	0.8
431.11063	2.3
431.16510	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	431.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45215	0.7
59.01376	0.9
69.20712	7.7
85.06901	0.7
91.60279	0.7
93.03419	1.9
105.23386	0.7
107.01408	1.3
116.16923	0.7
125.60809	0.7
135.00858	1.5
159.04495	1.0
163.00368	2.2
183.04581	1.7
185.06046	1.8
187.03951	3.1
199.03938	1.0
211.04007	1.2
213.05537	1.5
222.32442	0.7
227.03479	44.5
228.03964	3.6
229.05081	7.9
239.03387	0.8
255.02972	61.2
256.03571	9.0
257.04507	4.0
258.04996	0.9
284.03247	62.1
285.04007	100.0
286.04449	6.0
299.05490	0.9
431.09811	72.2
432.10031	2.9
443.73859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.6
59.01376	100.0
59.50454	0.3
60.01712	1.2
71.01382	11.7
71.53331	0.5
72.99310	0.7
73.02961	0.7
75.00848	0.4
85.02930	1.7
87.00876	0.5
87.98977	0.3
89.02439	18.6
90.02808	0.4
95.01404	0.8
99.00893	0.5
101.02440	6.4
109.02973	1.3
113.02439	5.9
119.03490	7.0
121.06584	0.4
125.02494	0.3
131.03531	0.8
134.03775	0.4
136.01682	1.3
137.02451	0.5
137.09686	2.2
143.03439	1.5
149.04564	1.1
151.04021	0.6
161.04572	2.3
179.05618	3.2
234.28592	0.3
239.41257	0.4
249.11363	1.0
269.01074	0.3
287.64603	0.3
293.10275	0.4
311.11450	0.5
411.12875	0.3
429.17441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.5
61.98827	100.0
69.06392	2.6
70.54757	6.3
70.55115	5.4
73.39259	2.6
85.03633	2.1
186.94984	2.4
227.03488	14.4
229.04855	3.0
255.02963	24.0
257.04550	3.0
279.22159	2.7
284.03259	23.6
285.04056	24.4
298.71066	3.0
323.25751	4.2
347.14630	3.0
402.36545	2.7
430.30469	7.4
431.09949	23.6
431.31747	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	431.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
59.01376	17.4
60.99305	15.5
61.98835	8.0
65.17545	1.3
66.62809	1.6
69.78672	6.7
71.01375	3.5
73.02942	2.1
75.00873	2.1
85.02946	2.6
87.00873	1.5
88.98804	100.0
89.02454	4.3
93.03471	6.8
101.02425	2.3
108.02173	5.3
109.02931	7.3
123.00879	1.4
125.02470	9.8
133.03006	2.6
135.04459	1.6
137.02432	15.6
151.04016	3.6
152.01175	6.9
153.01892	3.0
161.02448	20.1
169.01436	1.6
175.02434	1.8
177.01981	1.4
179.03496	5.7
198.11348	1.3
209.08226	2.7
215.36349	1.6
285.03943	2.6
332.12714	1.6
341.08771	10.0
431.11957	22.9
432.12296	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55443	0.4
57.03441	0.8
58.00604	1.0
59.01378	100.0
60.01722	1.1
61.98827	0.7
69.03452	0.4
69.26000	3.8
69.89970	0.4
71.01382	18.2
72.01753	0.5
72.99307	1.7
73.02966	0.9
83.01388	0.6
85.02951	4.8
87.00883	0.9
89.02441	21.8
95.01397	1.4
97.11944	0.4
99.00938	0.4
99.04540	1.1
101.02435	10.1
109.02972	2.1
109.55958	0.4
113.02448	7.9
113.03170	0.6
114.02787	0.6
119.03495	10.4
125.02474	0.9
131.03545	1.4
134.03757	0.9
135.04590	0.6
136.01674	1.2
137.02425	0.8
137.09731	2.0
143.03535	1.8
145.06236	1.1
149.04576	0.6
151.04082	0.7
153.01949	0.7
161.04622	2.4
161.13330	2.5
179.05615	4.4
189.75827	0.5
195.03177	0.5
205.12341	6.4
234.51852	0.4
249.11302	7.5
250.11552	0.6
267.16064	0.7
279.07947	0.4
293.10474	0.9
429.08325	1.2
429.17136	1.6
429.22186	5.6
430.21924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76824	0.6
56.31462	0.6
57.76377	0.6
59.01378	100.0
59.84687	0.5
60.01705	1.3
65.03956	0.9
69.54372	1.7
69.54786	2.1
71.01376	9.4
71.01732	0.9
72.99304	1.0
73.02931	0.8
83.01370	0.7
85.02986	1.4
89.02441	11.6
89.02945	0.9
91.01896	1.0
93.03455	1.2
94.83263	0.6
98.20649	0.9
101.02448	4.8
109.02943	7.3
113.02472	4.1
119.03507	4.8
119.05036	1.0
121.99854	0.6
125.02494	1.0
134.03732	0.7
135.00897	3.3
135.04602	0.7
136.01692	1.9
137.02477	2.3
137.48895	0.6
143.03554	1.2
151.04015	1.0
153.01930	9.2
161.04623	1.5
161.13408	0.9
163.00432	1.0
163.03989	0.7
179.05536	2.7
196.48448	0.6
205.12376	1.9
227.03496	1.1
249.11394	3.9
255.03181	2.1
284.03354	1.9
285.04303	0.8
311.11478	0.9
313.07108	0.8
411.12924	0.6
429.08337	3.2
429.21924	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19621	0.6
55.01869	1.4
57.03437	1.3
59.01379	100.0
60.01725	1.4
69.16147	6.5
71.01382	15.8
72.99297	1.1
73.02943	4.2
75.00877	1.3
81.03490	0.6
83.01389	2.3
85.02940	7.5
87.00875	1.4
89.02450	9.5
95.01395	2.2
97.02987	0.6
99.00885	1.6
101.02433	7.6
109.02949	6.4
111.00868	1.0
113.02449	10.0
117.01903	0.6
117.75132	0.6
119.03515	3.2
123.04539	1.9
125.02475	0.9
134.03760	3.9
135.02983	3.9
135.04523	1.9
136.01669	5.8
137.02444	2.8
138.18982	0.6
143.03516	1.1
151.04062	2.7
157.23679	0.6
161.02486	0.9
161.04601	2.2
177.04063	0.8
179.05623	1.4
193.39229	0.6
195.02901	1.1
205.05064	0.8
205.12372	1.1
207.13889	1.8
225.14932	2.7
233.04758	0.7
233.08092	0.6
267.88394	0.6
271.05939	0.6
293.10312	3.8
311.11432	4.8
335.85382	0.6
367.08066	0.8
369.19165	14.6
370.19531	1.8
387.20242	16.8
388.20685	1.8
411.07361	0.9
411.12833	1.0
429.08499	7.1
429.21341	1.9
430.08408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59485	1.1
55.01851	1.1
57.03440	1.8
58.00592	3.3
59.01380	100.0
61.98825	1.9
65.03928	1.3
71.01382	35.3
71.53371	1.7
72.99309	3.0
73.02940	3.9
75.00860	1.6
77.53585	0.9
79.77220	1.0
83.01383	2.4
85.02950	11.2
87.00875	2.4
89.02447	36.9
95.01378	2.8
99.00909	1.0
99.04517	5.9
101.02451	21.9
104.77541	1.2
109.02959	14.3
113.02460	14.5
116.93770	1.0
119.03506	16.5
127.05143	1.8
131.03583	1.5
134.03810	5.8
135.00862	3.3
135.03004	2.5
135.04520	2.2
136.01648	7.5
137.02429	4.2
143.03471	3.3
145.02910	1.7
145.06184	3.1
149.04524	1.8
151.04001	5.8
153.01936	11.3
157.69580	1.0
161.02415	1.2
161.04564	4.6
161.13347	13.2
169.01375	1.2
173.71103	1.1
179.05602	7.3
187.11363	1.5
195.03023	1.8
205.12341	27.8
206.12579	2.6
223.13472	2.1
231.10266	1.9
249.11325	33.8
250.11598	2.9
267.12302	2.2
267.15854	2.1
269.00894	1.8
293.10272	4.0
297.13498	1.7
311.11371	4.9
411.12854	3.7
429.08383	3.1
429.17072	8.2
429.21979	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	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64013	0.2
71.74523	0.2
89.44119	0.2
99.92582	4.9
100.92680	0.4
100.93360	8.2
101.93402	0.4
115.92074	100.0
116.92084	5.0
116.92864	6.3
117.92767	0.3
130.94458	0.2
132.92375	1.1
142.94412	0.4
155.95236	0.2
172.95451	4.9
173.95532	0.4
187.52730	0.2
255.23282	1.0
333.11523	0.2
355.15933	0.6
371.15225	0.3
381.17334	0.9
429.19547	3.9
429.29660	0.2
430.19528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76517	0.6
57.03450	1.5
58.00591	3.2
59.01379	100.0
59.98527	1.1
60.99030	0.8
71.01380	36.0
72.01727	1.1
72.45191	0.7
72.99317	2.8
73.02951	2.4
75.00868	0.9
81.07097	1.4
83.01386	1.9
85.02949	5.9
87.00896	2.2
89.02445	47.9
95.01385	3.7
99.04526	3.5
101.02448	21.6
109.02945	5.4
111.04540	1.4
113.02445	14.9
115.04068	0.8
119.03498	20.8
125.02464	2.5
126.02816	0.8
131.03526	2.6
134.03767	2.3
135.04530	1.6
136.01704	2.7
137.02443	2.1
143.03511	3.5
144.77092	0.7
149.04558	1.2
150.06847	1.2
151.04036	1.7
161.04587	3.2
161.13364	17.1
161.14626	1.2
169.01457	2.5
179.05634	5.8
187.11340	1.3
195.03021	1.5
205.12329	37.5
206.12706	2.8
223.13547	0.8
227.03523	1.2
229.66791	0.9
249.11305	40.6
250.11707	3.4
255.03044	2.8
267.12512	1.1
284.03314	3.4
285.03955	0.9
293.10373	2.0
311.11404	2.9
385.18579	0.9
407.09680	0.7
411.13132	1.3
429.08319	2.7
429.17572	11.1
430.18179	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
59.01376	17.1
67.07325	1.2
71.01383	12.2
72.99307	1.5
73.02930	3.2
74.02476	2.0
75.00867	14.6
83.01386	2.6
85.02966	6.5
85.03394	1.5
87.00879	6.1
89.02452	8.7
89.68451	1.2
91.33327	1.3
101.02428	4.9
110.98368	1.2
112.49460	1.2
113.02438	3.2
116.03514	1.4
117.01952	1.3
117.03459	24.3
118.98087	2.6
119.03499	1.2
119.05016	12.7
121.05058	2.4
123.04500	2.3
132.02104	1.5
133.02951	20.5
134.03738	2.2
135.02994	44.8
135.04512	4.5
136.03329	1.5
137.02481	2.1
145.02950	100.0
146.03326	3.3
151.03966	1.5
161.02438	70.3
162.02779	5.2
163.02751	2.3
163.04010	24.3
170.76060	1.3
176.04787	16.8
177.05411	1.2
177.09203	21.7
178.09554	1.6
179.03484	3.1
187.07574	5.9
190.06299	2.6
195.04956	1.6
202.06320	1.7
203.07111	2.2
205.08669	31.2
206.09027	1.6
231.10249	4.3
233.08139	2.2
249.11304	38.7
250.11565	3.3
267.12350	19.3
268.12561	1.1
275.09109	1.2
287.24515	1.3
293.10211	3.4
309.09702	2.4
311.11386	1.4
313.09329	1.3
327.18127	1.7
411.12735	6.2
429.13898	99.4
430.14276	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	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01332	0.5
55.01878	1.1
57.03440	1.0
58.00595	3.9
59.01377	100.0
60.01719	1.4
67.67381	0.4
69.03464	1.9
69.20892	4.3
69.26423	0.5
71.01379	41.8
71.05021	0.4
72.99303	5.0
73.02944	39.0
74.03281	0.5
75.00875	2.1
81.03485	0.5
83.01367	2.7
85.02946	15.1
86.00108	2.3
87.00874	12.5
87.01379	0.8
87.04507	5.1
89.02442	33.7
95.01406	0.7
97.02979	1.1
99.00883	1.0
99.04546	0.7
101.02438	52.9
102.02761	1.1
103.04007	26.9
104.04359	0.5
105.81202	0.4
109.02953	2.8
113.02463	5.3
115.04019	8.5
116.03515	0.4
119.03497	13.8
125.02464	3.3
127.04010	2.3
131.03491	10.1
134.03716	2.8
135.03006	2.4
135.04491	1.0
136.01703	2.7
137.02444	1.2
143.03494	14.7
145.03056	0.5
145.05054	6.8
151.03970	0.7
151.88391	0.4
161.02455	0.5
161.04568	0.7
163.06120	48.6
164.06482	1.3
177.03958	0.6
179.05676	0.6
190.02679	0.5
195.03015	0.6
205.07146	29.8
206.07486	1.1
231.10229	0.4
233.81021	0.5
265.09406	1.4
283.12070	0.4
293.10455	1.4
311.11423	2.9
369.19382	0.9
387.20355	1.5
389.97501	0.4
429.17059	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	429.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38152	1.3
57.03444	1.2
59.01077	1.4
59.01377	23.6
61.98817	1.4
71.01376	13.2
71.52869	1.3
72.99289	3.1
73.02924	3.8
75.00869	18.7
83.01379	2.3
85.02940	5.3
87.00865	3.9
89.02428	4.9
91.94320	1.1
95.01370	1.5
99.00883	2.1
101.02440	4.9
105.01852	1.5
108.02159	4.0
109.02940	5.0
113.02451	2.5
115.01810	1.3
116.03474	1.5
117.01894	3.1
119.05005	2.5
121.02952	11.2
123.04465	1.3
125.02424	2.2
129.01901	2.3
132.02164	1.4
133.02963	31.9
133.45137	1.4
134.03758	13.7
135.02994	53.9
135.04495	11.2
136.01613	3.4
137.02345	2.9
147.04478	3.2
149.02408	1.6
151.04047	1.6
152.01137	5.1
153.01891	4.5
159.02925	1.6
161.02440	96.9
162.02771	5.6
163.03899	1.6
165.05594	1.9
167.03537	1.4
169.01375	1.9
175.07533	1.4
176.04776	25.0
177.01962	1.7
177.03928	1.6
177.09190	38.2
178.09502	1.9
179.03439	5.2
179.07034	1.6
187.07660	10.3
190.06360	5.9
191.05544	2.2
193.04982	6.4
195.05124	9.1
202.06349	4.7
203.06987	2.3
205.03476	1.5
205.08672	51.9
206.09026	3.3
231.10277	8.2
233.08124	2.8
249.11295	67.9
250.11604	5.4
267.07214	1.2
267.12338	24.1
268.12701	3.0
275.09369	1.6
293.10297	4.2
311.11371	8.7
315.07236	7.4
393.17365	1.6
407.21497	1.5
411.13043	9.8
429.13870	100.0
430.14252	8.7
430.19901	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	429.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.3
59.01379	25.4
61.98837	10.8
64.58997	1.5
69.21895	11.6
69.22302	2.4
71.01380	18.4
72.99299	4.8
73.02934	4.4
75.00874	16.3
77.11081	1.3
78.61318	1.3
83.01378	2.7
85.02965	10.3
87.00876	33.1
89.01888	2.0
89.02428	10.6
91.57951	1.5
95.01382	3.1
97.02126	1.3
99.00839	3.6
100.98775	1.8
101.02427	8.9
105.01931	29.9
109.02959	3.7
113.02451	13.1
117.03451	2.9
118.98094	8.5
119.03509	2.5
119.04984	2.7
123.04519	4.2
125.02457	3.9
133.02963	15.3
134.03737	2.0
135.03008	13.7
135.04529	42.2
137.02475	2.0
143.03497	1.5
145.02922	5.6
147.04463	2.1
149.02426	1.7
151.03975	3.3
161.02437	69.8
162.02768	2.1
163.03993	1.8
169.01376	4.0
176.04742	3.0
177.04091	1.7
177.09171	4.7
179.03496	34.8
179.07086	2.4
187.07617	3.6
191.03535	1.8
191.05632	2.1
203.07086	1.7
205.01381	1.9
205.05020	1.7
205.08704	8.2
205.28702	1.7
219.06589	1.9
224.03891	2.3
225.07674	2.2
231.10265	2.7
233.08229	3.2
237.06177	4.0
242.90274	1.6
246.71718	1.7
249.11293	13.3
267.07217	100.0
267.12186	4.8
268.07526	3.0
293.10184	2.2
323.07779	26.8
324.07846	1.7
341.08762	6.0
411.08502	1.7
429.09647	39.5
429.14468	7.7
430.10431	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	429.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61985	0.6
52.24771	0.7
59.01382	12.3
61.98835	1.4
67.64112	0.7
71.01394	5.9
72.99308	4.2
73.30405	0.9
75.00863	3.0
85.02929	1.3
87.00883	4.6
89.02439	5.5
98.19935	1.5
101.02436	2.4
105.01936	46.3
109.02923	1.1
109.52271	0.7
113.02457	2.0
117.01940	0.8
117.03449	3.7
118.98101	0.9
119.03546	1.8
123.04484	0.8
125.02452	1.2
132.02165	3.9
133.02953	18.1
134.03252	0.9
135.02960	3.0
135.04518	27.8
136.04865	1.3
137.02470	0.9
145.02925	1.6
157.19226	0.8
160.01624	5.8
161.02434	100.0
162.02762	5.2
165.90767	0.7
176.04784	0.9
177.09164	0.9
179.03503	21.2
203.03584	1.0
205.08713	1.6
222.01595	1.5
231.10318	0.9
249.11319	1.5
267.05112	2.5
267.07281	25.3
268.07690	1.2
275.63385	0.7
301.96423	0.7
323.07700	75.5
324.07944	6.1
341.08701	9.4
359.03146	0.7
429.10040	14.3
430.10812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.4
71.01382	1.0
71.52221	0.9
72.99310	4.0
75.00874	3.2
76.21902	0.6
77.32257	0.6
85.02956	0.9
87.00883	1.8
88.98794	0.7
89.02422	1.4
101.02477	0.9
105.01935	48.4
112.14353	0.5
113.02460	0.6
117.03461	2.2
118.98118	0.7
123.04493	0.9
124.72096	0.6
125.02471	0.5
127.44328	0.6
132.02132	2.8
133.02963	17.4
134.03571	0.8
134.49619	0.6
135.02924	2.1
135.04521	36.2
136.04855	1.0
137.02448	1.3
145.02934	1.3
151.15881	0.6
160.01640	5.3
161.02435	100.0
162.02774	3.5
163.04051	0.9
176.89310	0.6
179.03502	30.5
180.03835	1.4
191.05629	0.6
249.04266	0.8
249.11429	1.4
260.00131	0.6
267.04865	5.8
267.07312	1.9
323.07693	75.9
324.08069	6.3
341.08716	9.6
387.81314	0.6
429.09979	15.6
430.10577	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	427.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01722	0.9
61.98837	0.6
69.28774	5.5
73.55557	0.5
90.98829	0.5
98.20720	1.1
119.05050	1.5
121.02953	40.6
122.03293	1.1
123.83836	0.5
125.02413	3.0
145.02951	0.7
145.49646	0.7
148.05290	0.8
163.04041	2.0
168.00664	1.6
169.01405	2.8
193.67110	0.6
214.02184	0.6
223.67497	0.7
234.49664	0.6
250.09340	0.6
277.18069	0.6
344.95218	0.6
365.23337	1.8
366.57443	0.6
427.12463	1.1
427.23547	1.6
427.31943	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	427.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52291	1.5
59.01380	71.6
60.96770	1.9
61.98832	6.4
69.40283	13.1
71.01383	32.3
73.02940	16.5
75.00857	3.0
83.01387	9.1
85.02941	14.1
87.00887	2.8
89.02442	7.0
93.03449	7.8
93.05997	1.7
95.01399	3.5
98.20670	3.3
99.00882	4.9
101.02442	39.2
111.00916	1.7
113.02448	15.9
119.05022	3.8
125.02452	3.2
128.93456	1.7
129.01979	2.2
135.02985	3.1
135.04645	2.0
144.04509	1.6
145.02939	3.5
159.02956	3.2
161.04539	14.0
161.05894	3.3
163.04010	2.9
164.04723	2.0
177.60493	1.6
185.63504	1.8
188.03479	2.2
191.05600	2.2
205.05186	1.6
221.10281	82.3
222.10641	4.9
232.06856	1.7
265.07193	3.3
367.16061	100.0
368.16235	8.5
427.12503	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0824
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
59.01378	24.5
68.84711	0.6
71.01365	3.2
71.52994	0.9
85.40279	0.6
89.02438	3.6
92.65366	0.6
96.95432	0.6
101.02437	2.4
105.95888	0.6
113.02410	0.9
116.62907	0.6
119.03510	2.0
125.02458	0.8
164.19624	0.6
164.21040	0.6
207.13881	1.2
211.03780	0.8
225.05513	1.0
227.03465	11.3
230.99379	1.2
232.00018	0.9
243.02983	0.7
245.00687	0.8
253.01421	1.3
254.05724	0.7
255.02980	13.8
256.03546	2.0
257.01099	0.8
257.68570	0.9
269.00864	4.6
269.03647	0.6
271.02408	1.4
281.00797	1.5
281.04346	0.8
283.02448	2.5
283.99908	1.4
284.03198	8.2
285.00482	1.6
285.03989	5.7
295.02496	1.5
296.03342	0.9
297.00360	2.3
297.04120	2.5
297.07507	1.0
298.01208	3.3
299.02042	1.0
303.01437	0.9
309.04153	0.9
310.01144	0.8
311.01978	5.4
312.02701	2.1
323.01907	0.9
323.99155	4.9
324.99890	1.7
325.03464	10.8
325.06979	1.2
326.00662	0.8
327.01529	3.0
327.04956	1.0
339.01242	0.9
341.06531	0.9
353.02945	13.1
353.06702	1.9
354.03397	1.3
369.06268	3.6
397.05618	33.4
398.06021	3.5
429.08228	100.0
430.08588	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	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
69.03458	2.8
70.47794	0.3
71.01369	1.0
71.53475	0.5
75.00887	0.4
79.01904	1.3
81.03458	1.4
83.01387	1.5
83.05050	0.4
85.02958	1.5
92.96491	0.3
93.73600	0.3
95.01371	1.3
97.02957	2.6
101.02461	0.4
101.06075	0.8
107.01374	1.5
108.02177	0.6
108.95281	0.3
109.02979	0.7
109.06598	1.1
111.04494	0.3
112.85838	0.3
113.02451	0.4
113.06091	0.7
121.02926	0.8
122.67802	0.3
123.00877	7.2
123.04482	0.5
123.91393	0.3
124.01664	21.4
125.02444	69.2
126.02766	2.1
135.04546	0.6
136.01648	0.4
137.02449	2.2
145.02948	0.5
145.05049	0.3
148.05310	0.6
149.99582	40.3
151.00409	2.9
151.03883	0.4
153.09268	0.4
162.29248	0.4
163.04013	0.8
163.07689	1.0
165.01906	0.6
167.03491	1.3
168.00633	68.7
169.01355	5.8
179.03455	0.5
193.01337	0.5
211.02562	0.4
259.16983	1.2
264.32346	0.3
265.10788	0.8
265.14352	0.7
269.06754	0.4
277.18060	11.9
278.18393	0.5
283.20419	0.4
287.07697	0.5
293.21133	3.7
294.21707	0.5
303.23291	0.5
312.42468	0.3
313.05679	2.9
331.06693	5.0
365.23291	20.9
366.23599	1.3
409.11255	3.1
427.12402	100.0
427.23218	28.4
428.12744	10.9
428.23459	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	427.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77639	0.6
51.02472	0.5
55.01879	1.4
55.02583	0.6
57.03454	1.9
59.01377	13.8
61.64237	0.6
69.34061	3.3
69.34480	2.3
71.01383	11.2
72.99322	1.1
73.02950	2.1
75.00871	9.2
75.98488	0.6
83.01399	0.7
85.02946	5.7
87.00870	3.9
89.02451	4.5
95.01388	1.4
99.00891	2.4
99.04528	1.1
101.02444	4.2
103.00362	0.7
105.03441	0.8
106.24712	0.6
113.02453	2.3
117.03462	8.3
119.03525	1.0
119.05024	3.1
123.00921	1.0
129.01932	3.2
131.03644	0.7
132.02158	1.5
133.02954	31.7
135.02997	1.6
135.04530	6.5
137.02434	1.6
141.01981	0.7
145.02950	37.9
146.03299	1.7
159.02989	1.2
160.01614	1.4
161.02438	97.3
162.02779	5.1
163.03986	3.7
163.36568	0.8
169.01442	0.8
175.03969	1.5
177.04030	21.6
177.05426	1.0
179.03444	2.9
193.05035	0.9
195.05067	2.5
200.81155	0.7
205.12299	2.0
249.11334	3.1
251.07721	1.7
330.05930	1.1
409.15063	0.9
427.16003	100.0
428.16379	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	425.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
69.03465	0.5
74.02460	0.4
77.62935	0.5
86.52338	0.4
95.04946	0.4
97.06577	0.7
98.20704	0.7
99.67085	0.4
134.42825	0.4
167.14366	0.7
183.13898	11.6
184.14235	0.8
193.12276	1.9
195.13902	27.8
196.14172	0.8
204.36002	0.4
211.13393	33.7
212.13776	2.6
213.14966	9.7
223.13319	1.1
299.99149	0.5
315.26822	3.8
333.27902	0.6
341.24805	0.9
359.25980	2.8
360.26279	0.6
377.26938	3.1
389.26901	0.6
395.27539	0.6
407.28134	1.3
408.18985	0.4
425.29077	100.0
426.29401	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	425.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01371	2.3
60.17360	0.3
61.98819	0.5
69.56826	2.3
71.01379	0.6
71.05027	0.6
83.05034	0.6
95.87711	0.3
96.35328	0.3
96.96014	0.4
98.20690	0.6
99.30457	0.4
148.78006	0.4
152.99640	0.4
167.14384	0.6
177.12804	0.5
183.13893	11.3
184.14352	0.6
193.12277	1.0
195.13892	22.3
196.14265	1.8
211.13377	33.9
212.13730	1.8
213.14929	9.7
214.15363	0.5
223.13397	0.8
291.19531	0.4
299.99109	0.7
309.20642	1.5
315.26904	2.3
316.27191	0.5
322.95816	0.4
327.26834	0.4
333.27966	0.8
341.24866	0.7
359.25897	2.7
377.26859	3.0
388.57568	0.4
395.28040	1.0
407.28195	1.3
425.29071	100.0
426.29419	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3423
Annotation	7-Oxostigmasterol
Peak:m/z	Relative Intensity
58.00595	9.7
58.43310	0.5
59.01374	1.4
60.58458	0.4
69.03457	1.3
69.18906	5.6
70.56443	0.5
71.01379	0.8
71.05013	1.1
72.02174	0.7
72.26613	0.5
73.02940	1.6
77.38758	0.5
99.01461	0.5
123.08146	2.5
137.09653	1.1
177.12866	0.8
255.17598	0.6
299.99127	1.2
306.09097	0.6
345.25909	0.8
346.22690	0.6
359.24069	0.7
361.25314	4.0
362.25546	0.7
375.26923	3.1
376.27484	0.7
377.28476	30.7
378.28809	4.5
389.28357	1.1
391.30069	5.3
392.30569	1.2
393.31616	60.9
394.31906	10.6
395.33365	3.2
405.31827	3.4
406.31808	0.8
407.33475	11.1
408.33676	0.9
421.31165	1.4
423.32666	100.0
424.28799	0.5
424.33005	16.8
425.34570	73.1
426.34885	11.5
437.30606	6.9
438.30954	1.2
439.32355	0.9
443.34976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1453
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
55.01870	0.5
57.03441	0.3
59.01386	2.7
69.43847	2.4
71.01379	3.5
71.05038	0.8
71.67512	0.3
72.99297	0.5
73.02960	1.2
75.00880	3.9
82.11768	0.3
83.01395	0.6
83.05013	0.4
85.02938	1.8
87.00867	0.7
87.04612	0.3
89.02463	1.0
95.01392	0.4
99.00869	0.6
101.02438	1.9
101.06071	0.9
105.03468	1.0
109.02933	0.4
113.02450	0.9
117.01933	0.4
117.03455	1.1
119.05054	0.4
132.02187	1.7
133.02956	33.5
134.03377	1.0
135.02992	11.0
135.04517	6.7
136.04840	0.4
137.02409	0.4
145.02965	0.7
161.02438	100.0
162.02769	4.9
163.04024	0.6
179.03462	3.6
187.04112	0.3
187.07629	1.7
202.06316	1.2
208.17607	0.3
213.09280	0.5
215.07101	0.5
228.04199	0.3
231.10226	2.3
275.09299	0.9
289.10782	0.5
299.99054	0.6
300.99936	0.5
307.11868	0.4
398.46561	0.3
403.10077	0.3
418.10156	0.3
425.14502	61.4
426.14844	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	425.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71109	0.2
58.67545	0.2
59.01373	1.2
65.03960	0.4
68.11928	0.2
71.01384	0.4
71.30357	0.3
73.02933	0.6
83.01372	0.3
83.18566	0.2
85.02960	0.2
93.03456	62.3
94.03799	2.1
94.23042	0.2
101.02430	0.3
118.60977	0.2
125.97212	0.2
133.03047	0.1
135.61722	0.2
137.02441	100.0
138.02785	3.8
145.02951	0.5
178.02748	0.2
278.87872	0.2
299.34363	0.2
313.67307	0.2
339.37131	0.2
425.13950	1.1
425.23022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
59.01376	6.6
71.01381	19.1
71.53107	1.1
71.53486	1.4
72.99301	2.9
73.02950	17.2
75.00883	1.7
83.01395	2.6
85.02943	7.0
87.00876	29.3
89.02444	2.5
93.03448	1.9
96.96018	1.6
97.02948	1.5
97.06581	5.5
99.00851	2.7
99.04505	3.5
101.02453	8.2
108.02148	2.5
109.02921	4.0
109.70077	1.4
113.02437	6.0
113.06075	17.4
117.01942	50.7
117.03420	4.9
119.05006	2.8
121.02939	1.6
122.03735	24.2
123.04536	27.1
124.01694	1.7
125.02439	3.8
133.02951	6.9
134.03741	100.0
135.03050	1.3
135.04474	11.4
137.02448	9.0
141.18813	1.3
143.03502	1.9
145.01898	1.3
145.02950	26.8
147.04532	2.0
160.01642	3.6
161.02477	2.0
161.04599	10.1
163.03987	3.2
164.01250	1.3
169.01384	2.1
175.03947	1.5
177.01910	7.8
177.04044	3.8
178.02711	22.9
179.03322	2.8
189.01927	1.7
191.03398	1.3
217.01541	2.2
231.10207	4.3
234.05275	1.5
245.00894	4.4
246.01543	2.4
247.02477	2.2
259.02393	2.4
275.09268	7.0
285.09622	2.8
289.06927	2.7
299.98984	2.0
307.11847	93.2
308.12222	8.1
425.00879	3.2
425.09326	2.6
425.13712	4.6
425.18689	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	423.3266
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
57.03476	0.3
58.00640	1.2
59.01415	0.4
60.99337	0.6
61.98848	0.2
69.41219	1.8
71.01420	0.3
71.05067	0.5
73.02988	0.7
83.05022	3.1
94.65438	0.2
96.96094	0.3
97.06602	1.6
98.19919	0.5
99.08192	0.3
109.06612	1.1
121.06695	0.3
123.08237	0.6
137.09741	1.9
146.81236	0.3
154.71303	0.3
163.11240	0.2
165.12973	0.3
168.68585	0.2
187.14992	0.6
189.12967	1.0
201.12962	0.2
205.15959	4.8
248.58627	0.2
277.19742	0.5
359.24091	0.5
371.23792	1.8
373.25311	1.5
373.29321	0.4
375.26859	4.5
375.31256	0.4
376.27179	0.6
377.28415	0.5
385.28897	1.0
387.26569	1.3
387.31390	1.1
389.28607	3.9
390.29398	0.5
391.30219	6.0
392.30347	1.2
393.31677	0.5
401.28485	1.6
402.29169	0.3
403.22778	0.7
403.30142	3.5
404.30484	0.8
405.31622	33.9
406.32236	5.5
407.29916	1.1
419.29510	1.0
421.31174	13.8
422.31573	2.2
423.32672	100.0
424.33041	16.9
435.29196	1.3
437.30600	10.4
438.31046	2.0
441.33713	1.2
449.30615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96842	0.6
55.01878	0.9
57.03442	3.7
58.00603	4.2
59.01373	2.9
60.99308	2.9
61.98814	1.3
69.03456	1.0
71.05020	69.9
72.05358	1.5
76.98806	1.8
81.07185	0.7
83.05019	4.5
85.02943	1.8
85.06582	10.0
87.04480	1.0
95.05050	1.2
96.96028	1.0
97.06586	27.9
98.06950	1.1
121.06621	0.9
123.08148	1.7
137.09700	2.3
149.09666	0.8
189.12878	0.9
205.15987	2.7
229.50085	1.2
257.19019	0.8
277.19550	1.0
287.20236	2.2
291.21185	3.8
305.22836	0.8
307.24286	14.9
308.24716	1.9
321.25980	2.3
323.23914	1.9
337.25256	4.8
339.26871	28.4
340.27176	4.0
349.25076	1.4
349.28958	8.5
350.29358	1.4
351.26804	9.4
352.27438	1.2
353.24710	1.2
357.28027	8.4
358.28613	0.9
361.25476	1.7
369.24249	1.7
371.25964	6.0
373.25232	0.9
373.29437	0.7
375.22900	1.6
375.26944	3.5
377.28467	5.5
378.29007	1.3
379.30130	2.2
383.25912	34.6
384.26309	5.3
389.28699	2.2
391.26135	1.6
391.30307	9.1
392.30518	1.1
393.24026	1.1
393.31628	19.5
394.32004	2.7
401.27533	3.5
403.30240	4.2
405.27386	1.4
405.32217	5.1
407.29547	24.2
408.29993	3.7
409.27216	1.0
411.29092	0.8
419.29593	3.8
421.31146	38.7
422.31491	5.8
423.00131	1.6
423.32742	100.0
424.33032	16.7
425.30573	12.7
426.31134	2.1
435.28955	3.2
437.30533	26.3
438.30881	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	423.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.5
57.03443	3.1
58.00589	3.4
59.01377	100.0
64.45879	0.7
69.03454	1.5
69.57171	4.3
71.01379	97.5
72.01733	1.2
72.99319	3.6
73.02943	21.9
75.00870	1.4
78.30102	0.9
81.03461	0.9
83.01380	8.8
85.02947	29.4
86.27571	0.8
87.00871	9.3
89.02441	87.7
91.09275	0.7
91.21988	0.7
95.01380	6.5
97.02937	3.2
99.00873	6.2
101.02440	80.7
102.02770	1.8
111.00869	1.3
113.02450	42.2
114.02749	2.1
119.03493	35.7
120.03815	0.9
120.99619	1.3
123.33655	0.7
125.02474	4.1
125.09687	1.8
129.01872	0.8
131.03503	8.3
131.92030	0.7
143.03479	10.8
149.04576	3.8
159.03015	4.3
161.04547	26.4
162.04871	1.2
179.05600	51.2
180.05843	2.1
187.09621	2.1
221.06635	16.4
239.50719	0.7
249.44328	0.7
261.13254	2.3
295.07916	1.1
423.18826	13.7
424.18707	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42974	0.7
57.03442	3.5
59.01378	21.5
60.07544	0.8
69.22673	1.8
69.23078	5.2
71.01381	1.0
74.61874	0.6
78.95913	1.1
80.91681	0.8
83.05009	1.0
93.92160	0.7
96.95997	1.4
97.06583	1.0
114.03216	0.7
223.17032	1.7
247.20659	0.8
248.14943	0.7
275.23746	2.9
276.94324	0.8
301.22049	1.2
319.22751	100.0
320.23041	11.7
337.23880	2.2
363.21619	2.1
377.28571	1.3
389.28555	1.1
393.31824	4.0
405.31522	2.1
406.28781	3.8
407.29547	1.4
421.31012	3.3
422.31747	0.8
422.99994	1.2
423.06976	1.8
423.32861	17.9
424.33087	3.0
437.30704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32985	0.4
62.96400	0.3
69.66090	1.7
78.95906	13.3
85.18390	0.3
89.80004	0.3
98.20626	0.7
104.97472	0.4
110.98528	8.7
137.00078	0.4
140.75952	0.3
152.99583	0.3
167.01151	11.4
185.02174	2.6
255.23280	100.0
256.23639	10.3
423.25180	17.7
424.25641	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	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15617	3.0
59.01377	16.7
70.19898	10.3
71.01353	6.4
71.61245	3.0
72.99303	3.8
73.02954	7.6
75.00852	4.9
78.95896	3.9
82.02982	3.9
85.02928	4.6
87.00884	4.1
89.02435	6.4
96.95999	12.8
96.96960	3.8
97.61609	2.9
98.20567	4.7
101.02470	5.0
106.01378	3.2
111.08134	13.7
113.02447	6.0
121.02930	3.3
122.03728	5.9
125.02354	3.9
125.09716	3.0
133.02933	3.2
135.02991	11.0
138.04546	6.5
138.05608	100.0
149.02444	9.3
150.03244	21.2
151.03888	3.1
153.01903	3.5
161.02448	3.4
164.04724	5.0
165.05606	23.3
173.08167	10.0
179.07141	5.1
187.09758	3.2
195.06575	13.9
233.09270	5.7
235.06024	2.7
243.12328	5.8
261.12460	8.9
277.05740	3.6
287.10248	6.5
305.11417	45.0
306.11578	3.8
375.14407	11.0
423.13620	19.3
423.18842	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	423.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49611	0.4
57.03457	2.1
59.01380	3.1
69.03473	0.8
71.01392	1.8
71.05029	0.5
71.86902	0.5
73.02946	0.6
75.00876	2.4
85.02973	0.9
87.00871	0.8
87.04515	0.7
89.02462	1.6
93.03439	1.1
95.05048	0.8
97.06593	6.5
98.20702	0.9
99.00883	0.9
101.02422	0.6
113.02522	0.6
114.87803	0.5
116.30874	0.5
117.01972	0.7
119.05003	0.6
123.08162	11.3
124.08518	0.8
125.09721	70.8
126.10052	2.8
127.95836	0.4
129.02008	0.5
133.02972	0.5
135.02992	3.4
137.02428	0.6
139.07690	1.0
142.56305	0.4
143.10764	2.6
145.02988	0.5
161.02451	0.8
165.04018	0.9
169.08670	5.1
177.04007	2.1
187.09760	100.0
188.10114	5.2
203.03380	0.5
227.12811	0.6
245.13942	0.6
249.11282	0.7
305.12408	30.3
306.12561	2.2
405.17099	0.5
423.14868	40.6
424.15137	4.1
424.79935	0.5
446.68344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1661
Annotation	[4R-(4R*,5S*,6S*,7S*,10R*,11E)]- 3-[(Acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-5,6,10-trimethyl-4-(1-oxopropoxy)-7,10-epoxycyclodeca[b]furan-2(4H)-one
Peak:m/z	Relative Intensity
57.03429	0.3
59.01380	6.6
69.54469	0.7
69.54876	1.0
71.01383	2.9
73.02927	0.3
83.01391	0.3
85.02946	0.9
89.02444	2.7
95.01389	0.3
101.02443	1.5
105.03473	0.8
113.02447	1.0
117.03455	1.1
119.03498	0.6
127.41634	0.2
132.02179	1.4
133.02959	33.9
134.03352	1.1
135.04533	6.8
137.02473	0.3
161.02440	100.0
162.02779	4.5
179.03500	3.7
180.03976	0.2
258.01620	0.4
271.02420	1.2
272.03128	0.4
291.18094	0.6
404.29965	0.3
423.07184	2.0
423.16583	63.1
424.07770	0.4
424.16916	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	423.0932
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
55.01863	0.7
57.03442	0.5
59.01379	12.0
60.01712	0.4
61.98820	0.4
67.01886	0.7
67.08974	0.5
68.99817	0.7
69.03455	0.9
71.01379	5.5
71.51416	0.4
71.51817	0.5
72.48003	0.4
72.99290	0.9
73.02950	1.7
75.00856	1.2
79.01916	0.9
79.90382	0.4
80.91713	0.7
81.03477	0.6
83.01379	1.6
85.02953	3.8
85.86986	0.4
87.00863	0.5
87.04498	1.7
89.02464	1.0
95.01397	3.1
96.96004	1.6
96.96934	0.7
97.02939	1.1
97.06586	0.5
99.00900	0.8
101.02450	3.8
107.01399	5.3
108.01562	0.6
108.02191	5.8
109.02956	14.0
111.00876	2.4
113.02452	3.6
119.03479	0.6
119.04999	0.5
123.00887	12.7
123.04478	0.5
124.01679	1.4
125.02449	32.3
126.02766	0.8
127.00365	0.8
135.03001	1.6
135.04477	1.1
136.41246	0.4
136.98798	1.6
137.02397	1.3
139.00372	5.2
140.01204	4.2
141.01970	1.1
150.05594	0.5
151.00374	9.1
151.03967	0.8
153.01970	0.8
161.02441	1.0
161.04498	0.8
163.03998	0.7
165.01903	0.6
166.80840	0.5
167.03389	0.4
168.00626	3.4
169.01419	38.2
170.01698	1.0
179.03519	0.7
195.06667	0.5
201.11301	2.3
211.02512	1.2
225.11330	4.3
250.09856	0.4
253.03632	0.8
261.00226	0.5
305.16013	0.9
313.05643	7.7
329.11301	0.5
343.13940	2.5
363.16699	0.8
381.18124	0.5
407.04385	0.5
423.09341	100.0
423.18707	2.8
424.09659	10.9
424.14169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18862	0.7
59.01379	100.0
60.01717	2.2
60.22183	0.9
65.76888	0.8
69.03459	0.9
71.01389	3.6
71.51590	0.6
71.52028	1.2
73.02942	1.5
75.00884	2.9
78.95949	1.6
79.95757	0.7
85.02944	1.7
87.00849	1.1
89.02446	3.1
89.77174	0.7
96.95383	1.6
96.96010	33.0
96.96950	1.5
97.06614	2.8
101.02449	1.5
111.08217	0.8
113.02476	1.0
117.01943	1.8
119.03545	1.0
123.00806	0.8
123.04604	0.8
125.02451	1.7
127.04115	0.8
135.02992	9.1
135.04539	1.0
135.08211	2.2
136.92960	0.7
142.45302	0.8
145.02919	0.8
147.08118	4.0
150.03203	0.9
151.03989	1.5
159.00687	0.8
161.02432	1.4
163.11272	0.9
165.05569	1.1
165.09207	1.8
167.10718	0.7
169.01372	0.9
177.01892	0.9
181.12381	0.8
187.09718	0.8
189.01903	0.8
211.88345	0.8
225.11307	89.5
226.11639	6.8
245.13916	1.5
247.02573	0.7
261.00378	1.2
305.07019	1.0
305.12775	0.9
305.16034	1.6
343.13950	49.8
344.14215	4.3
365.04999	0.8
379.10641	1.0
423.04666	2.2
423.09604	61.4
423.17868	4.7
424.09958	6.3
448.83051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2078
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01871	8.1
57.03457	4.7
58.00579	2.4
59.01379	45.1
61.46649	0.8
66.91892	0.7
68.99786	0.8
69.03439	2.5
71.01381	75.9
71.53247	0.8
72.99290	3.1
73.02948	38.4
74.10773	0.8
75.00858	1.9
77.83335	0.8
83.00914	1.5
83.01385	13.8
85.02953	38.5
86.00069	1.4
86.03275	0.9
87.00417	0.8
87.00874	5.5
87.62762	0.8
89.02446	20.1
95.01400	4.7
97.02946	3.0
99.00276	1.1
99.00877	16.0
101.02441	67.8
102.02798	1.5
108.02139	1.8
109.06560	1.1
111.00869	2.7
113.02441	31.8
115.03992	3.2
119.03491	3.4
125.02415	3.7
129.01917	1.3
131.03473	4.2
132.05217	0.9
143.03473	4.6
149.04526	2.4
150.03288	1.1
152.01141	1.2
159.02998	6.0
161.04556	32.1
161.05896	2.0
191.05571	0.9
233.06573	3.1
236.35942	0.9
289.16553	100.0
290.16943	7.1
305.21097	2.5
377.23178	4.9
390.57181	1.2
421.20740	88.4
422.21130	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	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78696	0.6
60.23555	0.6
70.85421	1.5
78.95900	30.1
80.96513	1.0
87.64292	0.7
96.96011	0.7
97.57646	0.6
110.98529	56.2
152.99519	3.8
167.01141	1.5
185.02197	100.0
186.02545	1.6
253.21724	28.3
254.19565	0.8
254.21992	3.0
421.23431	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76716	0.6
56.07258	0.6
56.56779	0.6
58.29328	0.6
59.01380	10.8
61.98822	1.2
69.78648	2.0
69.79064	1.7
71.01382	4.0
72.99302	2.3
75.00875	1.0
79.95736	9.0
80.96535	0.8
86.92249	0.6
89.02459	3.0
94.61318	0.7
96.77291	0.6
96.96009	2.3
98.19810	1.1
101.02449	2.4
103.24856	0.6
113.02460	1.0
116.05056	0.6
119.05025	86.3
120.05366	3.6
135.04520	13.5
149.13301	0.6
163.04007	39.8
164.04411	1.3
177.05603	1.2
181.05066	14.1
182.05374	0.8
199.00705	30.6
200.00945	1.8
215.00174	16.8
221.00229	0.7
229.04648	0.7
242.99712	3.4
261.00708	11.0
273.58948	0.7
343.10397	4.9
369.32422	0.8
397.53207	0.7
423.05951	100.0
424.06244	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	421.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14280	1.2
57.03451	6.3
58.00593	1.6
59.01379	43.1
68.99785	2.0
69.03461	4.2
71.01384	19.6
72.99301	2.8
73.02936	2.5
75.00878	15.5
81.03484	1.3
83.01369	2.0
83.69086	1.1
85.02939	12.7
87.00870	14.6
89.02434	7.8
93.03455	4.8
95.01378	1.7
95.81579	1.2
97.02938	5.1
99.00868	4.7
101.02432	5.3
101.68961	1.3
103.00383	1.4
103.32398	1.1
104.99516	1.2
105.01929	4.3
110.19475	1.5
111.00821	1.7
113.02412	4.1
119.05099	1.5
123.00869	3.5
124.01666	3.6
125.02428	3.2
126.99533	2.6
127.35796	1.3
129.01939	11.9
133.02948	2.2
135.04530	3.1
137.02477	6.1
139.11278	14.6
141.01915	3.8
145.02936	1.7
155.10822	3.2
159.02922	1.7
161.02417	3.5
163.11261	1.6
177.04037	67.5
178.04381	3.0
179.03365	1.8
181.05074	2.2
181.12354	12.1
183.10255	20.1
195.05107	2.1
199.13354	5.0
207.09981	1.2
225.11299	7.3
243.12363	31.4
244.12590	2.7
275.07764	1.7
281.06583	4.8
285.13461	5.3
347.24329	2.5
361.18893	1.6
403.16190	21.7
404.16403	2.1
421.11362	9.0
421.17087	100.0
422.12024	2.0
422.17331	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
58.44483	0.4
59.01379	100.0
60.01717	1.3
60.87464	0.4
61.98834	0.6
66.67917	0.4
70.81462	0.9
70.81813	0.5
71.01389	3.3
73.02976	0.7
75.00850	0.7
77.47768	0.4
85.02944	2.0
87.04514	63.6
88.04851	1.3
99.00851	0.5
101.02472	2.3
113.02460	0.6
117.65945	0.4
145.12373	0.8
146.01413	0.4
161.04532	0.9
307.17416	1.3
419.24005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.28
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23079	0.7
59.01379	100.0
60.01731	0.9
61.98824	0.8
71.53140	0.8
74.12690	0.6
79.57769	0.7
96.96017	0.8
124.29168	0.6
130.28877	0.7
146.17778	0.6
160.58716	0.6
205.32829	0.6
220.71468	0.6
234.77312	0.6
286.98566	0.7
353.56082	0.6
389.24997	1.1
419.24521	1.0
419.29404	5.3
420.29752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.2
58.02949	2.7
59.01376	100.0
61.98824	4.9
69.82862	8.2
70.02973	8.2
71.01380	21.5
71.05035	11.1
71.33049	2.0
73.02944	8.2
75.00867	8.0
80.25801	1.8
83.01395	2.5
85.02945	7.5
87.00846	3.0
87.04485	3.0
87.05646	5.4
89.02436	23.3
95.01360	2.9
96.96069	2.5
99.00870	3.6
99.04520	5.7
101.02451	17.5
113.02448	14.5
119.03486	8.8
125.02459	3.5
130.03308	6.1
133.02939	3.4
134.03735	2.8
135.02925	2.9
135.04503	5.2
137.02477	3.1
146.08226	65.1
147.05946	6.2
147.08519	2.6
153.12819	2.7
161.02441	13.3
161.04582	5.1
177.03981	3.8
179.03542	2.8
179.05565	3.0
190.02702	5.3
191.05605	3.2
193.05037	4.6
195.05080	4.5
197.11812	5.3
205.05037	4.7
217.11919	15.8
235.05933	2.9
236.70644	2.3
241.10776	7.5
243.12302	5.2
265.10303	2.3
277.12231	85.4
278.12555	7.2
300.99792	2.4
301.03546	3.1
361.18472	4.7
379.19647	2.7
385.11176	3.6
402.07523	2.3
421.11539	5.8
421.16910	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84889	1.1
56.91075	1.4
57.03445	10.5
59.01380	26.0
65.12509	1.4
68.99819	2.0
69.03436	2.0
71.01380	25.2
72.99297	4.6
73.02927	2.1
75.00872	74.6
81.96181	1.2
83.01408	3.1
83.05008	1.7
85.02946	20.7
87.00871	17.6
87.74592	1.3
89.02443	7.1
97.02943	2.1
97.06617	3.1
98.08965	1.4
99.00879	10.8
101.02434	4.4
103.01217	1.4
111.00886	5.0
111.08125	2.5
119.03643	1.2
129.01941	31.7
129.76979	1.1
141.01907	4.2
159.02972	17.4
165.12839	32.9
166.13092	2.4
177.04037	100.0
178.04405	2.5
195.05089	77.0
196.05423	1.7
197.15398	10.6
209.11722	2.6
241.14461	15.6
242.14763	1.3
308.94775	1.4
339.90063	1.5
381.97849	1.2
419.19223	79.1
419.24072	3.8
420.19412	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35267	0.4
52.88305	0.4
59.01379	16.2
68.03323	0.4
69.20985	3.2
69.21404	1.7
71.01401	3.0
72.99301	1.5
73.02944	0.8
75.00875	11.0
85.02944	0.6
89.02440	4.1
91.04012	0.6
100.38245	0.4
101.02436	5.2
111.08139	0.6
113.02441	0.7
113.42141	0.6
117.01950	1.1
119.03503	1.0
135.03000	43.8
136.03322	0.9
153.12865	2.4
157.98552	0.4
165.12852	9.4
166.13100	0.6
179.10742	0.7
183.13901	100.0
184.14246	7.0
197.11845	4.9
198.64050	0.4
207.13893	0.6
209.11932	3.1
227.12889	19.5
228.13197	1.4
251.12915	2.1
254.32182	0.5
269.13870	1.2
301.16537	29.8
302.16803	2.9
329.16025	1.6
419.18967	6.2
419.30206	1.4
420.19754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.4
59.01377	57.3
61.98795	1.4
68.99815	2.7
69.03473	1.6
71.00642	2.2
71.01377	18.7
72.99295	3.4
75.00872	45.4
78.51832	0.9
83.01347	1.9
83.05016	1.2
85.02950	14.1
87.00872	14.1
87.88002	0.9
89.02426	4.4
97.02930	1.5
97.06554	1.7
99.00887	6.8
101.02425	3.2
111.00845	1.2
111.08156	2.5
113.02432	1.4
121.85547	0.8
129.01935	20.3
129.44020	0.8
141.01900	1.6
159.02994	8.4
165.12837	24.7
166.13174	2.2
177.04033	100.0
178.04333	2.6
183.13907	1.0
195.05095	30.3
197.15463	3.1
209.11819	1.5
227.12808	2.9
241.14429	4.5
257.08167	3.6
372.84140	0.9
419.19211	47.0
419.24048	1.9
420.19403	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	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03468	0.6
57.03443	1.9
58.00575	0.8
59.01381	14.8
61.98827	1.8
70.48694	1.5
70.49089	1.8
71.01380	8.4
72.99287	0.8
73.02940	6.2
75.00875	6.2
77.22688	0.8
81.03455	0.8
83.01391	1.3
85.02944	2.9
89.02438	3.2
95.01408	0.9
97.02995	3.8
101.02446	28.1
111.08159	1.3
113.02453	6.5
115.04012	1.4
119.03490	7.6
125.02452	1.1
131.03497	2.3
135.03008	22.1
138.01985	0.9
143.03516	5.8
161.04582	1.1
164.65335	0.8
165.12851	19.7
183.13905	100.0
184.14214	5.8
191.05611	2.9
191.10667	0.8
201.25011	0.7
207.13936	1.8
209.11821	4.5
218.93092	0.8
227.12880	68.7
228.13190	5.8
237.14957	3.2
251.12856	1.9
263.13068	0.9
269.13821	1.8
273.00388	0.8
281.13867	2.0
284.72534	0.7
293.14087	1.1
299.14972	1.1
301.16599	14.0
301.19836	1.3
329.16116	2.3
419.09653	2.1
419.18723	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	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.5
57.03447	9.4
59.01379	90.3
60.01702	1.4
67.01890	1.7
67.54053	1.1
68.97247	0.8
68.99802	3.0
69.03139	1.1
69.03451	11.6
71.01381	22.6
71.30077	2.0
72.99300	8.5
73.02937	2.1
83.01374	5.2
85.02950	38.5
86.00076	1.2
87.00430	1.1
87.00867	15.7
87.04485	2.9
89.02446	11.0
95.01315	2.0
95.04990	2.3
97.02957	16.6
97.06572	2.3
99.00887	7.4
101.02437	8.5
111.00833	4.1
111.08121	2.1
113.02432	6.2
113.06036	2.1
114.42135	1.2
115.03949	4.4
119.03416	4.2
125.02417	1.6
126.20332	1.1
127.07573	3.2
129.01952	16.6
133.37819	1.4
137.06087	10.9
141.01956	12.5
153.01912	5.7
153.11847	1.2
153.12837	11.2
155.07033	4.1
159.02954	2.4
161.04518	1.7
165.12842	23.0
166.13100	1.9
167.07019	1.5
173.04472	1.7
177.03909	1.2
177.16339	1.7
179.10663	3.7
179.14359	1.7
183.13889	82.3
184.14107	4.5
191.05589	17.0
197.11821	21.7
197.15367	2.2
209.06635	20.2
209.11618	2.6
213.52466	1.3
221.08055	1.5
227.12860	42.7
228.13062	3.5
237.06642	1.1
239.16382	2.6
288.50375	1.1
299.04077	1.1
299.08936	1.6
301.16309	1.1
401.17825	2.4
419.18756	100.0
420.19025	13.2
420.24222	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02989	0.3
51.00476	0.3
51.47356	0.3
59.01377	4.1
69.28802	0.6
69.29201	2.8
71.01378	1.9
72.99307	1.2
73.02950	1.3
75.00871	10.3
79.99142	0.3
89.02435	2.6
91.04010	1.2
98.20719	0.6
101.02440	10.4
109.06582	3.2
111.08154	0.6
113.02455	0.5
117.01945	1.2
119.03495	0.5
135.02994	41.9
136.03340	0.7
153.05502	0.9
155.85101	0.3
165.12839	7.2
166.13199	0.4
177.98213	0.3
183.13890	100.0
184.14218	6.0
207.02997	0.6
209.11777	2.7
222.05348	0.4
227.12871	19.8
228.13298	1.1
237.14999	0.5
247.13368	0.7
252.88280	0.3
265.14450	0.6
301.16537	27.6
302.16888	3.2
419.19357	7.3
420.19806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0984
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
59.01371	0.9
69.57130	0.3
71.01382	1.5
73.02960	0.3
81.03468	0.9
82.35629	0.3
85.02930	0.6
89.02442	0.3
95.01392	0.5
98.19852	0.6
101.02414	0.5
107.01408	0.4
107.05059	0.3
108.02173	100.0
109.02998	16.1
110.03278	0.4
113.02452	0.4
121.02953	4.5
122.71951	0.2
123.00798	0.4
123.04523	0.9
133.02939	0.5
135.00850	0.4
151.04008	2.5
152.01147	51.7
153.01942	19.6
154.02271	0.8
154.70039	0.3
163.03989	1.4
165.01915	1.1
179.03584	0.4
185.05992	0.5
229.04730	0.5
297.06204	0.4
389.16141	0.4
419.09811	58.2
420.10187	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	419.0985
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
53.29325	0.3
57.21111	0.4
59.01374	1.5
68.99793	0.4
69.58228	2.0
70.18021	0.3
71.01382	0.7
71.50299	0.3
73.02921	0.4
75.00869	0.5
80.02655	0.3
81.03468	0.9
85.02939	0.9
91.01872	0.6
95.01398	0.3
101.02408	0.3
108.02177	11.9
108.02921	0.6
109.02948	100.0
110.03293	2.7
113.02472	0.3
116.38769	0.3
121.02956	7.7
123.00868	2.4
123.04507	0.9
124.01651	0.4
135.02994	1.2
137.09744	0.4
147.10268	0.3
151.04033	0.9
152.01146	15.8
153.01930	70.9
154.02263	3.1
155.10786	0.7
183.13901	1.5
195.02951	0.9
256.20694	0.3
297.06094	2.1
298.06543	0.3
301.16766	0.6
415.64175	0.3
418.40399	0.3
419.09802	67.9
420.10101	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	419.156
Annotation	3-Epiphlomurin
Peak:m/z	Relative Intensity
53.99121	0.7
55.01876	0.9
57.03446	6.5
59.01378	38.2
60.01706	0.7
61.98816	6.5
63.82891	0.7
68.99813	1.0
69.03459	3.3
69.67910	0.6
70.67139	1.7
71.01382	15.9
72.99311	2.8
73.02943	1.4
74.02472	1.0
75.00871	17.2
83.01390	2.0
83.05034	1.2
84.02200	1.0
85.02952	11.3
87.00875	11.9
89.02433	3.6
95.01402	1.7
96.95997	0.9
97.02942	4.5
99.00897	5.0
101.02449	2.8
101.48623	0.8
103.00349	1.0
105.01916	3.5
111.00903	1.5
113.02461	1.8
115.04031	0.8
118.96736	0.8
119.08732	1.1
121.02999	0.7
123.00899	4.9
123.53990	0.7
125.02457	1.3
129.01941	14.0
135.03000	5.0
137.02457	1.2
137.09750	2.4
138.03238	2.8
139.00385	1.0
139.07671	3.2
141.01971	3.1
147.02979	0.8
150.03175	0.9
153.05586	2.0
159.02977	2.7
161.02409	1.2
161.04541	0.8
161.09709	1.9
169.01488	1.9
177.04034	68.6
178.04410	2.2
179.10817	2.1
181.08693	4.6
183.06677	1.0
195.05103	12.4
196.68823	0.8
197.11845	9.1
223.09801	2.3
241.10733	7.1
257.04645	1.4
266.07135	1.5
267.05045	0.7
281.09317	5.3
283.11917	2.1
286.98312	4.2
299.10388	1.4
301.09369	2.7
343.13995	1.3
346.07272	0.8
359.13483	1.0
401.14569	12.2
402.14917	1.4
404.11273	0.9
419.02954	2.1
419.15640	100.0
420.15939	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	418.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73934	0.9
53.78007	0.9
57.17197	1.0
59.01377	8.5
61.98829	100.0
70.85308	2.3
71.01385	4.1
75.00864	2.0
85.02962	3.1
85.06583	1.6
89.02462	2.0
96.63036	0.9
98.19963	1.0
101.02447	3.2
104.75729	1.3
113.02447	1.3
115.86430	1.0
121.02955	34.4
122.03282	18.6
129.01945	1.7
135.03004	2.2
135.04515	10.7
136.04860	6.7
141.54887	1.2
151.00365	1.1
151.06084	2.0
161.02519	1.1
161.04573	1.1
177.04088	2.3
191.05540	1.7
195.05028	1.5
196.00162	1.2
197.11905	1.1
246.01715	1.4
295.10681	1.0
296.10718	1.8
368.83398	1.1
418.14203	3.2
419.14862	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.4
59.01371	4.5
61.33618	1.0
61.98814	1.6
63.42699	1.1
63.62342	1.0
68.18272	1.1
70.07726	0.9
71.01542	1.4
76.71577	1.1
85.02952	5.0
93.03451	2.5
99.24348	1.1
101.02419	1.1
107.05009	1.6
108.02177	13.4
109.02948	100.0
109.06590	5.9
110.03275	2.8
110.45797	0.9
117.62045	1.0
121.02940	8.1
123.00880	2.6
125.02417	1.2
137.02432	2.5
137.09618	1.0
151.04002	21.0
152.01149	16.7
152.04216	1.0
153.01930	78.2
153.07199	0.9
154.02310	3.0
160.80200	0.9
163.04083	1.3
171.23373	0.9
209.02928	1.1
225.02194	1.0
257.08163	13.7
258.08527	1.2
285.04059	2.3
286.04382	1.3
297.06073	3.4
372.31976	1.0
419.09760	66.3
419.21170	3.7
420.10126	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	417.2646
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
50.01322	0.3
50.95197	0.3
59.01368	1.6
60.07154	0.3
71.52246	0.6
72.61295	0.3
117.03467	18.3
118.03793	0.4
119.05022	8.1
121.03010	0.7
123.04559	0.4
123.73500	0.3
140.92206	0.3
145.02954	100.0
146.03291	4.2
163.04012	4.9
271.22803	8.4
272.23065	0.8
331.26416	0.5
359.38608	0.3
399.25464	1.4
417.26447	24.9
418.26752	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
70.01540	13.9
74.44387	3.4
88.55010	2.7
98.20015	3.6
117.02973	2.8
148.35616	3.0
196.83499	3.1
199.22289	3.0
252.87698	3.6
289.05438	11.8
352.62894	3.4
417.21106	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	418.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34135	1.5
55.55580	1.3
56.06070	1.4
57.03485	1.2
59.01378	12.3
60.91011	1.4
61.98831	100.0
62.06182	1.3
71.01377	5.0
73.02934	2.2
75.00871	4.8
85.02966	2.9
85.04330	1.5
89.02441	2.5
90.53375	1.7
99.00867	1.9
101.02444	2.8
113.02397	2.0
119.03488	1.4
123.00838	2.1
123.04491	1.4
125.02486	1.6
129.01945	2.3
129.06190	1.4
133.02942	2.7
137.02466	2.3
148.22046	1.5
159.02968	2.2
161.02448	12.0
177.04053	4.0
195.05080	2.9
197.11778	1.9
225.65326	1.3
240.03905	1.3
241.10837	2.4
297.11664	1.5
355.10330	14.7
418.14655	4.0
419.10431	2.1
419.15561	6.6
443.14651	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	418.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	41.7
60.01715	1.2
61.98829	100.0
67.77317	1.0
69.15652	2.3
69.16068	9.9
70.37722	1.1
71.01385	9.5
72.01717	1.9
72.99292	1.5
73.01841	1.2
73.02962	2.9
75.00867	2.1
83.01388	1.9
84.18761	1.0
85.02952	4.5
86.03284	1.5
87.00864	1.5
89.02451	3.0
95.01395	1.4
99.00886	1.8
101.01393	1.1
101.02435	8.6
113.02455	3.5
115.00329	1.7
123.04488	1.3
125.02444	1.8
129.01974	1.3
133.02988	5.1
135.02980	1.5
135.04559	2.4
137.02422	1.4
161.02438	27.9
161.04564	4.0
162.02863	1.3
162.04878	1.1
163.04976	1.8
177.04034	2.9
177.51726	1.1
179.03555	1.7
195.05064	2.9
241.07315	4.8
242.08113	1.5
243.75517	1.2
251.16920	1.2
270.10501	1.7
271.11011	2.5
272.11060	2.3
355.10315	28.8
356.10828	2.6
418.14725	1.1
418.16699	1.1
419.15753	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41388	0.6
59.01379	100.0
60.01723	1.4
61.98827	2.0
69.40182	4.0
69.40585	0.9
71.01389	1.8
101.02450	1.1
101.14695	0.6
108.02236	0.6
121.02937	0.9
151.00369	1.0
152.01143	0.8
161.04561	1.0
166.02762	1.0
181.05159	1.4
185.10922	0.7
202.99677	0.8
218.59654	0.5
227.03479	3.6
255.03021	5.9
256.03491	0.6
284.03220	4.2
285.03979	1.4
294.32565	0.6
317.90350	0.6
339.08572	0.6
357.24680	0.7
358.24591	0.7
417.08282	6.5
417.26685	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	417.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63285	0.3
59.01377	0.9
68.88925	0.3
70.26744	0.7
70.27100	0.5
92.59692	0.2
93.03461	0.3
104.52232	0.3
117.03467	16.0
118.03773	0.5
119.05022	6.8
120.05418	0.3
121.02969	1.3
123.04488	0.4
142.72577	0.2
145.02953	100.0
146.03296	4.6
163.04002	4.7
225.22186	0.4
240.19345	0.3
271.22772	8.2
272.23181	0.8
331.26428	0.7
399.25290	1.0
417.26437	25.0
418.26813	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.9
56.01411	0.4
57.03450	4.6
58.00592	3.3
58.52158	0.4
59.01379	81.7
60.01731	1.0
67.01885	0.4
68.99821	0.7
69.03462	0.9
69.51517	0.9
69.51943	2.3
71.01380	100.0
72.01732	1.4
72.99316	4.6
73.02944	24.1
74.03303	0.5
75.00889	0.9
76.48563	0.5
83.01388	12.7
84.02181	0.9
84.47998	0.5
85.02949	38.5
86.03271	0.9
87.00877	4.4
87.04544	2.2
88.04061	0.7
89.02444	55.9
90.02772	0.7
95.01385	7.4
97.02953	1.6
99.00872	10.1
101.02440	86.1
102.02795	1.5
111.00924	0.9
113.02444	40.8
114.02776	0.9
119.03500	26.1
120.03826	0.6
120.39167	0.5
122.57918	0.5
125.02473	2.3
129.01935	1.6
129.74063	0.4
131.03482	3.0
135.03029	0.4
137.02455	0.5
143.03491	7.1
149.04565	2.3
150.81075	0.4
159.02982	7.2
161.04547	41.9
162.04887	1.5
179.05586	8.6
185.15456	0.9
205.03439	0.7
206.50145	0.5
227.03497	1.5
255.02936	2.1
255.19682	4.2
284.03284	1.5
285.00922	0.5
285.04004	0.8
298.19638	0.6
392.91177	0.4
417.08710	2.4
417.13159	1.0
417.24905	22.5
418.25302	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	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.9
56.01411	0.4
57.03450	4.6
58.00592	3.3
58.52158	0.4
59.01379	81.7
60.01731	1.0
67.01885	0.4
68.99821	0.7
69.03462	0.9
69.51517	0.9
69.51943	2.3
71.01380	100.0
72.01732	1.4
72.99316	4.6
73.02944	24.1
74.03303	0.5
75.00889	0.9
76.48563	0.5
83.01388	12.7
84.02181	0.9
84.47998	0.5
85.02949	38.5
86.03271	0.9
87.00877	4.4
87.04544	2.2
88.04061	0.7
89.02444	55.9
90.02772	0.7
95.01385	7.4
97.02953	1.6
99.00872	10.1
101.02440	86.1
102.02795	1.5
111.00924	0.9
113.02444	40.8
114.02776	0.9
119.03500	26.1
120.03826	0.6
120.39167	0.5
122.57918	0.5
125.02473	2.3
129.01935	1.6
129.74063	0.4
131.03482	3.0
135.03029	0.4
137.02455	0.5
143.03491	7.1
149.04565	2.3
150.81075	0.4
159.02982	7.2
161.04547	41.9
162.04887	1.5
179.05586	8.6
185.15456	0.9
205.03439	0.7
206.50145	0.5
227.03497	1.5
255.02936	2.1
255.19682	4.2
284.03284	1.5
285.00922	0.5
285.04004	0.8
298.19638	0.6
392.91177	0.4
417.08710	2.4
417.13159	1.0
417.24905	22.5
418.25302	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	417.2491
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01874	3.7
57.03446	2.9
57.30484	0.7
58.00587	3.9
59.01377	100.0
69.38705	6.2
71.01379	90.8
72.01731	1.6
72.99311	3.8
73.02942	15.8
75.00859	1.2
83.01385	9.0
85.02946	28.3
86.03298	0.9
87.00879	6.1
89.02444	68.2
90.02805	1.4
91.85756	0.7
92.42313	0.8
95.01382	6.3
97.06602	0.8
99.00886	7.6
101.02439	63.7
103.70753	0.7
104.21095	0.7
113.02448	35.0
119.03499	32.5
125.02474	1.7
125.25544	0.8
129.01889	1.4
131.03493	3.5
132.98233	0.7
137.02415	0.9
143.03494	7.1
149.04597	3.0
159.02983	3.7
161.04547	29.5
179.05617	11.6
196.85088	0.7
209.15472	1.5
227.03506	3.2
255.03088	3.1
255.19662	7.4
256.03717	1.1
284.03406	2.5
285.04031	1.3
417.08231	3.9
417.24960	19.6
418.25568	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.0
55.04289	0.6
57.03445	4.2
58.00595	2.9
59.01378	85.0
59.05363	0.5
60.01702	1.2
69.34589	4.4
71.01379	100.0
72.01714	1.8
72.99302	4.0
73.02943	24.4
74.62409	0.6
75.00870	2.4
79.45786	0.7
83.01383	11.0
85.02948	41.8
87.00875	4.6
87.04530	2.3
89.02443	49.9
90.02770	1.1
95.01397	6.8
96.01719	0.6
97.02945	2.0
98.20607	1.1
99.00883	10.0
100.97150	0.6
101.02440	68.9
102.02791	1.5
106.67632	0.5
107.05026	1.4
111.00928	0.5
113.02447	41.3
114.02804	1.0
115.03990	0.6
119.03500	21.0
121.02945	1.3
125.02458	2.2
129.01981	1.0
131.03511	2.4
143.03490	7.1
149.04550	1.1
159.02985	7.7
161.04547	47.6
162.04825	1.2
179.05609	6.0
192.28017	0.5
215.13512	0.6
216.60013	0.5
221.01080	0.6
221.81256	0.6
227.03479	3.8
255.02963	4.4
255.19693	2.3
256.03717	0.7
284.03268	3.8
285.04047	1.1
301.03558	3.1
355.07980	1.3
357.26334	0.9
373.09674	2.9
417.08258	7.7
417.24966	45.0
418.25381	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84548	0.5
59.01378	100.0
60.01724	0.6
69.41893	1.6
69.42290	2.7
82.81781	0.6
155.51509	0.6
185.78438	0.6
268.11908	0.6
357.11642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03444	1.3
58.00583	1.6
59.01380	68.6
64.10339	0.5
69.03458	0.9
69.37318	2.1
69.37741	2.5
71.01380	37.1
72.99300	1.8
73.02944	28.8
75.00866	0.7
83.01395	7.3
85.02953	9.7
87.00878	4.1
89.02446	16.3
89.10055	0.5
95.01372	3.0
97.02973	0.8
99.00881	1.6
101.02445	27.9
101.89597	0.5
102.02755	0.9
113.01706	1.1
113.02451	12.5
119.03499	5.6
125.02442	2.9
129.51947	0.5
131.03583	0.9
135.04491	1.0
143.03487	0.9
145.02950	0.9
151.00388	0.7
161.04582	1.5
166.02667	1.2
169.01364	1.5
179.03481	0.8
181.05048	2.0
183.13882	1.4
195.13896	18.2
196.14302	1.0
203.47258	0.6
213.14941	6.8
213.45192	0.5
227.03503	2.3
246.54726	0.6
255.02974	2.1
255.06651	0.9
256.03769	0.7
284.03232	2.4
285.03915	0.9
321.78226	0.6
326.11591	0.7
357.19156	16.4
358.19415	1.6
375.20203	32.1
376.20627	3.1
417.09503	3.4
417.21286	100.0
418.21658	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09470	0.2
59.01380	100.0
60.01717	0.8
61.98794	0.2
63.32260	0.2
63.60691	0.2
69.42281	1.5
71.01387	0.3
73.02946	0.2
85.02972	0.3
89.02509	0.2
90.66363	0.2
99.42828	0.2
101.02428	0.2
107.32161	0.2
113.02472	0.2
121.03044	0.2
131.71503	0.2
169.01390	0.2
227.03482	0.3
233.13838	0.2
255.03142	0.7
284.03333	0.4
319.50491	0.2
417.08484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.5
59.01381	9.5
61.98831	15.5
62.56074	0.4
69.03457	0.5
70.19688	1.5
71.01383	9.4
73.02941	2.1
75.00871	1.6
83.01388	0.9
85.02947	3.0
85.06581	0.9
86.38610	0.4
87.00878	1.2
89.02473	2.2
93.03475	0.6
93.68707	0.4
95.01374	0.5
97.02951	0.5
99.00859	0.7
99.04530	0.4
101.02435	5.3
105.01920	0.6
107.93118	0.4
108.02180	1.3
108.23846	0.4
111.00898	0.6
113.02435	2.6
115.04041	0.6
119.03509	1.3
121.02955	100.0
122.03271	3.9
123.00869	0.5
125.02443	1.2
129.01973	0.7
133.05090	2.1
135.04527	33.1
136.04855	1.3
139.07671	0.8
151.00357	0.4
151.06100	4.1
152.01154	1.7
161.02425	0.5
161.04588	2.7
163.03992	3.8
169.01398	0.8
175.06145	1.6
177.04050	1.6
177.09404	0.4
189.07735	0.6
193.04991	0.6
195.05133	1.0
195.10352	0.4
217.07123	0.8
223.06172	1.1
227.03397	0.6
255.03029	0.9
284.03293	0.8
295.10306	5.2
308.95300	0.4
357.15912	0.7
370.32864	0.4
417.09326	1.0
417.14041	4.1
418.14505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
57.03439	2.5
58.00594	1.2
59.01379	100.0
60.01691	1.3
61.69799	0.8
61.98810	1.9
71.01381	38.2
71.52910	1.2
72.99306	1.5
73.02949	12.7
74.02475	4.5
75.00867	2.1
83.01378	5.3
85.02948	13.6
87.00887	2.4
89.02441	9.7
93.03442	1.8
95.01370	3.0
95.49006	0.9
96.20550	0.8
99.00881	6.2
101.02442	24.1
104.92681	0.9
107.01379	5.7
108.02177	1.4
109.03011	1.2
111.08171	1.0
113.02444	15.2
113.07490	0.9
114.02746	0.9
116.03504	1.8
119.03465	2.6
121.02954	2.1
123.00879	1.5
125.02460	4.5
129.01936	1.7
131.01353	2.4
135.02939	1.8
137.02414	4.5
139.07652	13.0
143.03450	2.9
149.04591	1.2
151.00381	0.9
152.01158	2.9
159.02928	3.2
161.04549	40.4
162.04813	1.1
165.01930	1.1
165.09149	1.7
166.02615	1.2
169.01436	4.4
177.04016	1.8
195.10207	3.0
205.03473	1.1
218.99345	8.0
237.00328	12.7
246.81833	0.9
305.65512	1.0
314.20490	2.9
315.21713	3.0
349.18576	3.5
357.15527	20.9
358.15732	2.5
417.09879	2.9
417.17902	5.5
418.23923	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	417.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93853	0.4
59.01382	1.1
69.94405	0.4
70.99612	0.7
70.99969	0.7
71.01379	3.1
73.02941	0.9
85.02942	1.4
89.02457	0.8
95.01399	1.1
101.02468	0.5
103.50164	0.4
108.02171	60.8
109.02975	24.1
110.03300	1.1
113.02404	0.4
116.91622	0.4
123.00917	0.9
123.04531	0.9
133.02977	0.8
151.03993	2.4
152.01147	100.0
153.01501	6.1
163.03987	2.1
177.01892	0.6
213.42868	0.4
237.57529	0.5
241.07114	3.1
264.20224	0.5
285.06088	1.2
332.14224	0.5
388.34476	0.5
417.10370	80.1
418.10724	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	417.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45139	0.5
52.24731	0.4
59.01372	1.2
70.99811	1.1
71.01382	2.3
73.02961	0.8
81.27117	0.4
85.02948	1.8
89.02443	0.8
90.58139	0.4
95.01402	1.0
108.02172	58.5
109.02977	24.4
110.03298	0.9
123.04560	0.9
131.03496	0.5
131.64037	0.5
133.02992	0.8
144.19206	0.5
151.04036	2.7
152.01149	100.0
153.01503	5.3
163.04021	1.8
179.03479	0.5
206.93599	0.4
223.06186	0.4
234.70772	0.5
241.07219	3.5
267.05148	0.6
285.06219	1.6
388.56125	0.5
417.10373	98.7
418.10715	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	416.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14809	0.8
59.01377	1.0
61.98826	11.5
69.81503	4.3
71.01359	1.2
85.02952	4.1
87.00867	2.0
91.80702	1.0
93.03474	1.4
104.56036	1.2
108.02181	1.6
109.02934	1.6
125.02401	1.2
137.99306	0.9
140.43156	1.0
152.01137	2.6
161.02435	1.4
168.00800	1.0
169.01402	1.6
191.05600	100.0
192.05962	3.2
211.40477	1.0
353.08792	9.0
417.10168	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	417.0824
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
52.12611	0.5
55.38284	0.6
55.98206	0.6
69.34407	4.3
91.76295	0.6
98.19925	1.0
110.42394	0.6
125.02408	0.7
151.00369	1.6
181.05028	0.8
183.04495	1.7
189.05507	0.6
211.03952	1.5
227.03485	57.3
228.03860	4.5
229.04890	0.9
255.02969	64.8
256.03510	10.0
284.03247	56.7
285.03943	23.0
286.04276	1.4
297.56262	0.6
339.72592	0.6
417.08246	100.0
418.08597	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	417.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51474	0.3
59.01389	1.2
60.33811	0.3
68.74616	0.4
70.05212	1.6
70.05625	0.6
71.01388	2.9
73.02950	1.0
74.63872	0.3
75.00878	1.0
81.03459	0.4
85.02949	1.3
87.00906	0.6
89.02450	1.5
89.23784	0.3
95.01378	1.1
99.00913	0.5
101.02407	0.5
108.02176	58.5
109.02970	26.0
109.04063	0.5
110.03283	0.8
123.00867	1.1
123.04527	0.7
128.81821	0.4
133.02943	0.6
151.03989	2.5
152.01151	100.0
153.01532	4.0
163.04001	2.3
175.04117	0.4
179.03549	0.5
223.05972	0.4
241.07187	4.5
285.06158	1.1
363.77689	0.4
373.07684	0.4
417.10361	94.1
418.10727	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	415.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
66.22665	0.4
71.01385	0.6
74.99104	6.5
75.59863	0.4
77.00668	71.6
78.01007	0.5
98.20692	1.1
100.02273	0.5
104.89793	0.5
147.08174	2.1
149.09674	1.5
161.09685	0.6
163.11284	2.3
187.11284	2.2
235.52931	0.5
261.23312	0.5
277.22318	0.5
279.13916	1.3
280.14502	0.9
309.22244	2.0
311.82617	0.6
322.19498	0.6
337.21722	100.0
338.22043	11.8
415.23138	11.5
415.28339	1.0
416.23364	1.5
433.50424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85215	0.3
55.01892	0.4
55.96038	0.3
56.21893	0.3
57.03447	0.4
58.00595	0.4
59.01380	100.0
60.01701	0.8
63.13386	0.3
67.98962	0.3
71.01383	4.9
71.53428	0.5
72.99296	0.5
73.02953	1.0
79.96548	0.4
83.01408	0.7
85.02961	1.6
89.02444	2.7
99.00888	0.4
101.02451	3.3
107.39736	0.3
113.02451	1.7
119.03526	1.0
125.02457	2.7
149.99557	0.5
161.04605	1.4
161.82719	0.4
163.00410	0.4
165.02019	0.5
168.00676	0.5
169.01405	3.2
181.17770	0.4
245.00890	0.4
257.71341	0.4
274.01154	0.7
299.09320	0.4
343.08441	0.4
371.07761	2.1
373.22421	1.2
401.95831	0.3
415.06885	2.9
415.12067	0.8
415.23770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01377	100.0
60.01704	1.0
65.52686	0.3
69.18575	1.8
69.18999	1.4
71.01379	4.9
73.02956	1.3
75.00872	0.3
78.62814	0.3
80.99275	0.3
83.01400	1.0
85.02961	2.0
87.00866	0.3
89.02435	2.7
92.62917	0.3
95.01390	0.7
98.19752	0.3
99.00877	0.4
101.02432	3.0
113.02447	2.4
119.03529	1.2
124.01669	0.5
125.02458	2.8
143.03580	0.4
145.03003	0.4
161.04620	1.3
168.00749	0.9
169.01393	2.5
178.54915	0.3
245.00941	0.6
274.01202	0.8
275.13272	0.4
371.07681	2.4
373.22180	1.7
415.06958	3.0
415.12509	0.9
415.23517	0.6
418.53479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75263	0.5
55.01873	8.2
55.33953	0.4
57.03447	5.0
58.00597	2.3
59.01378	56.6
61.98822	3.5
67.01907	0.5
68.99842	0.5
69.03455	2.6
69.38570	1.5
69.38993	2.1
71.01379	90.4
72.01722	1.1
72.99310	3.9
73.02946	40.6
74.03297	0.6
75.00877	1.4
81.03461	1.6
83.01384	30.3
84.01702	0.7
85.02947	48.8
86.00082	1.0
86.03294	1.0
87.00880	4.0
89.02441	10.8
93.03431	0.8
95.01389	7.1
97.02946	4.5
99.00879	13.9
99.04487	0.8
100.01243	0.5
101.02441	86.6
102.02780	1.6
103.04022	4.7
107.05031	0.4
108.02176	3.7
109.02956	4.4
111.00907	0.8
113.02448	33.9
114.02758	1.0
115.04015	1.5
119.03461	2.8
125.02439	6.6
127.04025	1.0
129.01933	1.3
131.03500	0.9
135.04533	0.6
137.02440	1.0
143.03493	5.6
145.05072	2.3
152.01167	3.5
153.01901	2.4
159.02972	8.5
161.04549	60.1
162.04913	1.9
163.06142	3.1
169.01479	0.5
170.71407	0.4
172.43645	0.4
179.03418	0.5
187.06012	0.6
205.03589	1.2
205.07263	0.7
227.03383	0.5
229.07210	2.1
239.05702	0.7
247.08186	4.2
253.24918	0.4
269.10291	100.0
270.10632	7.5
299.02017	0.6
307.10318	0.6
313.09152	0.5
315.09061	0.4
327.08835	0.8
353.06763	1.2
354.07098	0.4
371.07864	1.3
402.15741	0.4
415.06775	3.7
415.16327	28.6
416.07217	0.5
416.16754	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	415.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48264	0.8
57.03433	0.9
58.00582	0.9
59.01380	18.0
67.01886	1.4
69.03458	1.2
69.49892	4.9
71.01377	12.2
72.99306	1.6
73.02937	2.8
75.00878	3.4
79.01888	2.9
81.03490	0.7
83.01387	1.2
85.02943	2.6
87.00890	1.4
87.04520	1.1
89.02445	3.6
89.92307	0.7
89.94534	0.6
94.42068	0.7
95.01395	3.7
95.41525	0.7
97.02979	1.0
99.00884	1.4
101.02419	3.9
101.06078	19.7
101.18770	0.7
102.27622	0.6
103.13963	0.8
107.01377	8.1
111.00856	2.0
113.02457	3.4
113.06065	1.1
115.07650	36.7
116.03577	0.9
116.08027	0.8
119.03505	0.7
121.06612	1.1
123.00882	30.5
125.02448	28.8
126.02779	1.3
129.01933	1.4
131.63069	0.7
137.02446	1.4
139.00388	9.4
140.01117	2.2
141.01910	3.0
143.07230	1.6
145.02832	0.7
147.03004	0.9
149.02452	1.1
150.99187	1.5
151.00357	22.4
152.00659	0.9
153.01952	1.8
161.02467	0.8
165.01869	1.2
165.04057	4.7
167.03467	1.2
168.00587	4.0
169.01424	56.6
170.01759	1.5
177.04034	3.6
181.15585	0.7
183.02951	1.3
189.01831	0.8
193.01413	1.7
208.10783	0.8
211.02466	9.4
223.13338	1.8
227.03406	1.5
243.02951	0.8
245.00908	10.4
246.01350	0.7
246.98798	1.4
253.03494	1.9
253.14447	1.4
261.17386	0.8
273.00589	1.2
274.00906	1.1
313.05637	4.6
313.20175	1.2
355.10339	2.0
356.11111	1.1
371.07739	7.7
372.08249	1.2
415.06653	25.3
415.12372	100.0
416.06912	3.2
416.12720	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	415.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03452	0.9
59.01376	20.1
60.73790	0.9
67.01875	1.7
69.03445	1.3
70.52127	0.9
71.01380	12.9
71.53274	1.3
72.99300	1.0
73.02943	1.8
74.02440	0.9
75.00859	1.7
77.45824	0.8
79.01888	2.6
80.06133	0.7
83.01417	2.1
84.13817	0.9
85.02946	3.6
86.34824	0.7
87.00873	1.3
87.04515	1.4
89.02442	3.0
92.64497	0.8
95.01404	4.2
97.02927	1.4
99.00869	1.1
101.02447	4.0
101.06081	19.1
107.01378	8.7
111.00899	1.8
112.69038	0.9
113.02422	2.6
115.07647	37.5
121.06602	0.9
123.00880	26.6
124.01612	1.0
125.02445	28.6
126.02759	0.9
129.01988	1.0
135.04529	0.9
137.02426	1.2
139.00374	7.7
140.01041	0.9
140.28119	0.8
141.01935	2.8
143.07120	2.3
151.00352	20.3
153.01907	0.9
161.02397	1.3
161.04665	1.4
165.04018	3.4
167.03464	1.9
168.00580	3.7
169.01419	50.0
170.01692	1.9
172.19679	0.8
177.04005	4.1
181.01337	1.2
183.02998	1.4
188.76080	0.8
193.01364	1.2
209.36505	0.8
211.02466	9.0
217.01360	1.0
223.13326	1.6
227.03450	1.6
227.34190	0.8
245.00812	10.5
246.98709	1.6
253.03473	1.9
255.02888	0.8
273.00473	1.6
274.01038	1.1
275.98975	0.9
308.77936	0.8
313.05643	3.5
313.20203	0.9
327.08490	1.5
355.10248	2.2
371.07617	7.4
382.95587	0.9
415.06647	27.9
415.12393	100.0
416.07001	2.4
416.12683	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	415.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57276	0.4
57.03448	0.7
59.01381	3.2
71.01382	2.2
71.52029	0.8
72.28252	0.4
72.99366	0.5
73.02951	0.9
74.02466	1.0
77.88457	0.5
81.46123	0.4
85.02953	1.9
87.00872	1.6
89.02454	1.5
93.03451	5.7
96.89806	0.5
101.02438	1.5
112.58686	0.5
113.02469	1.0
120.99610	0.4
121.02964	2.8
123.00821	0.6
125.02420	0.9
133.02910	1.1
133.05070	0.6
135.03015	0.4
135.04526	1.1
137.02448	13.4
145.02951	0.8
149.02408	0.6
149.87926	0.5
155.05080	0.5
161.02411	1.3
161.04558	0.8
169.01453	0.6
174.00861	0.4
176.01120	1.4
177.01895	2.7
177.04007	0.6
183.04401	0.5
189.01955	1.0
191.05608	0.8
193.01405	2.3
199.03946	1.3
201.05429	0.6
203.03545	0.7
204.00702	0.9
205.01268	0.8
209.06488	0.6
211.04018	1.3
213.01715	0.5
214.02669	0.6
216.00613	0.5
217.01396	1.2
224.05096	0.5
225.05551	1.0
226.02740	0.8
226.06313	0.6
227.03488	8.6
228.04128	1.2
228.07930	0.7
229.01372	0.8
229.05019	1.6
230.02155	1.0
230.99353	1.7
232.00180	2.2
233.00887	5.3
241.05022	1.7
242.05865	0.7
243.02849	1.0
244.00082	0.7
244.98477	0.7
245.00919	9.7
245.03685	0.5
245.04573	0.8
246.01550	1.3
251.03391	0.6
253.01416	1.2
253.05255	0.6
254.02074	0.8
255.02933	3.9
255.06622	3.5
256.03717	1.8
256.07312	0.6
257.00986	1.5
257.04514	2.0
266.01837	0.6
268.03506	0.8
269.01041	4.8
269.04520	4.9
270.01859	0.6
270.05219	1.1
271.02527	4.3
271.05661	0.8
272.03110	0.5
273.04007	1.0
273.48746	0.5
280.03662	0.6
281.00934	2.1
281.04031	0.6
282.01657	0.9
283.02408	2.4
283.06107	3.4
283.09726	0.8
283.99762	0.5
284.03455	1.0
284.06897	3.6
285.00369	5.5
286.00992	0.8
295.02393	1.8
296.03204	1.4
297.00800	0.9
297.04025	2.1
297.07364	0.9
298.01172	1.6
298.04651	1.1
299.01944	8.5
299.05594	3.3
299.09262	3.3
300.02313	1.0
300.06241	0.8
300.09506	0.8
301.03534	7.7
302.04349	1.5
309.04019	1.1
309.07538	1.0
310.04712	0.9
311.01868	1.7
311.05353	1.0
312.02570	0.9
313.03445	1.3
323.98975	1.6
324.02643	0.8
324.99933	1.0
325.03525	4.4
325.07254	1.1
326.04028	0.5
327.01593	0.8
327.05005	2.9
327.08755	5.3
327.14517	0.7
328.05670	0.9
328.09055	0.8
332.32031	0.5
343.08322	2.8
353.02982	5.1
353.06769	4.2
354.03284	0.9
355.13837	1.2
371.07709	27.9
372.07999	2.8
373.15164	0.7
396.25809	0.5
397.05606	13.6
398.05927	1.7
415.06699	100.0
415.15887	3.2
416.07065	11.5
416.12112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.56717	1.4
70.08930	5.3
71.01387	1.5
98.19941	1.8
124.67723	1.6
161.02489	1.5
175.02513	2.2
227.07805	1.5
289.51859	1.8
318.41202	1.8
413.30457	2.7
413.36221	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	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35360	2.9
59.01378	100.0
71.36971	7.0
79.00198	3.2
95.82465	2.8
110.99377	2.9
111.77064	3.1
142.37888	2.8
353.30447	5.4
413.30759	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	414.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.8
61.98831	100.0
63.74188	0.8
71.01371	1.9
71.28416	1.2
85.02923	1.8
87.00867	1.0
89.02427	1.6
97.08864	0.9
101.02433	2.0
104.32029	0.8
108.02169	2.9
109.02947	4.3
113.02377	1.5
123.08154	1.1
135.02971	1.7
137.02460	1.3
152.01114	4.3
153.01929	2.5
161.02399	1.1
162.02719	1.1
169.01389	1.1
191.05565	1.2
200.79036	0.9
211.09665	1.0
353.06638	1.3
373.88318	0.9
414.21323	1.7
415.07153	1.7
415.12463	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	414.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
66.41785	2.8
68.31916	3.1
82.97685	3.0
120.34525	3.0
167.40291	2.9
269.40045	3.9
279.23291	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	415.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
59.01370	2.2
60.20743	0.6
61.43375	0.6
62.51255	0.5
65.00303	0.6
69.21813	4.1
69.22227	2.1
71.01383	1.4
76.65704	0.5
83.01373	1.6
85.02942	1.0
87.00879	0.7
90.79045	0.7
93.03452	0.6
95.01437	0.8
101.02448	0.9
107.01409	0.9
107.82600	0.6
109.02977	0.9
113.02396	0.6
116.03606	0.7
125.02443	5.9
137.02452	2.6
147.00905	0.9
151.00325	5.6
161.02425	0.9
169.01439	2.6
176.01111	1.0
183.04601	0.8
189.01894	0.9
190.99818	2.3
192.00526	1.1
193.01421	0.9
197.09651	0.7
211.03932	0.9
213.05548	1.1
214.02687	0.9
214.93251	0.6
216.00676	0.8
217.01413	0.9
225.02248	0.7
225.05548	0.9
226.02592	0.9
227.03491	9.4
228.03995	1.6
229.01379	1.2
229.05121	1.0
230.02206	1.1
230.99406	2.7
232.00093	3.5
238.02675	0.7
239.03479	1.0
239.07133	0.7
240.04214	1.3
241.05161	1.8
241.08910	0.7
242.05763	0.8
243.02911	1.3
243.06659	1.2
244.00003	1.1
245.00896	11.2
246.01567	1.7
253.01314	1.3
253.05200	0.8
254.02177	1.6
255.02937	5.6
255.06532	3.8
256.03699	2.3
256.07181	1.0
257.00903	1.1
257.04538	2.1
257.08206	1.0
258.01675	0.9
269.01126	4.5
269.04468	5.6
269.07529	1.0
270.01682	0.7
270.05276	1.7
271.02530	4.0
271.06107	1.7
271.09677	1.1
272.03055	1.7
273.00400	0.7
273.04080	0.9
281.01016	1.9
281.04608	0.9
281.08105	0.7
282.01849	1.1
283.02588	2.3
283.06155	6.6
284.03699	1.1
284.06873	4.3
285.00415	5.6
285.07379	1.1
295.02573	1.7
296.03186	1.0
297.00473	0.7
297.03973	1.5
297.07510	0.8
298.01196	0.9
299.01956	8.4
299.05621	3.1
299.09229	3.1
301.03564	3.6
301.06961	1.4
309.07666	1.6
310.04895	0.9
311.01886	1.0
311.05460	1.1
313.03458	1.5
315.08905	1.0
325.03540	1.7
325.07138	1.3
327.05057	3.0
327.08783	6.5
328.09225	0.8
343.08255	1.8
353.02985	2.1
353.06732	3.5
369.06641	0.8
371.07675	38.7
372.08099	3.7
397.05634	6.9
398.06125	0.9
399.52997	0.7
415.06723	100.0
415.12216	7.7
416.07071	12.8
416.12527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
61.98818	0.6
71.01392	2.1
71.51672	0.5
72.99284	0.4
73.02954	0.5
75.00874	0.5
85.02981	0.6
86.41416	0.5
87.00873	0.8
89.02436	2.6
90.72854	0.4
93.03436	0.6
96.96014	1.3
99.00902	0.4
101.02435	0.5
105.01965	3.0
113.02513	0.4
119.05026	91.6
120.05369	4.1
125.02439	0.8
133.02916	0.9
134.03719	0.4
135.04523	1.7
145.02974	1.6
147.04507	0.4
151.03946	0.4
152.01213	0.4
161.02394	3.1
163.04008	100.0
164.04350	4.2
169.01389	0.6
175.04010	0.5
175.20483	0.4
177.05525	0.6
179.03502	2.2
183.06728	0.4
189.01903	0.4
191.03625	0.5
191.05685	0.5
206.02203	1.2
207.02980	3.5
221.04666	0.7
251.05492	3.4
251.07599	0.6
266.02805	0.5
267.07175	1.4
281.06653	1.5
325.09271	7.2
326.09619	0.5
330.01706	0.4
345.46292	0.4
369.08353	0.7
413.11008	16.4
414.11307	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98523	0.2
70.85027	0.3
70.85358	0.3
93.37156	0.2
120.99656	100.0
122.00026	1.4
413.19949	0.9
413.30734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01379	100.0
60.01727	1.1
69.20510	1.1
69.20927	3.8
71.01373	6.6
71.97429	0.5
72.99327	0.5
73.02959	2.3
75.05984	0.6
79.98318	0.4
83.01402	1.1
84.55201	0.5
85.02955	2.1
87.00875	0.5
89.02422	2.6
95.01403	0.6
96.92609	0.5
99.00902	0.9
101.02436	4.9
107.05054	0.5
107.37901	0.5
108.02254	0.6
113.02451	2.7
119.03497	0.7
121.02958	3.1
123.00869	1.2
125.02473	1.8
134.03796	1.1
135.04440	0.6
137.02473	1.7
139.00409	0.7
145.02907	0.6
147.04552	0.8
151.00359	0.6
153.02022	0.7
159.03070	0.5
161.04594	1.5
169.01396	1.3
178.99872	2.9
183.14032	0.5
192.00549	0.6
193.01472	2.4
207.06712	0.6
209.15471	1.1
233.11780	0.7
235.06181	1.2
236.06935	2.8
251.09258	4.5
277.09802	0.9
297.00421	1.0
341.06790	0.6
353.19775	1.3
364.97626	0.5
369.18951	0.5
371.20618	4.0
413.05399	3.0
413.14398	6.1
413.21957	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91681	1.1
59.01373	4.8
61.98835	2.6
66.46946	1.1
68.99825	2.2
71.01379	3.9
73.02948	2.2
74.02478	1.4
75.00877	1.5
78.95894	7.4
84.12896	1.0
85.02957	2.8
89.02485	1.2
93.03460	5.3
96.96008	1.8
96.96977	1.8
97.02946	1.6
101.02450	1.7
107.01428	2.0
109.02977	2.0
113.02474	2.4
119.05051	4.8
121.03002	1.3
125.02457	1.7
133.02946	6.0
134.03760	1.7
135.02972	2.1
135.04590	2.7
137.02452	10.3
145.02965	1.5
151.00409	2.4
152.99588	12.4
161.02423	21.5
167.17737	1.3
175.04102	1.3
176.94215	1.1
186.03178	1.7
197.02544	1.2
198.03268	1.8
199.04115	1.2
200.01068	1.2
203.03477	1.0
211.04147	1.1
214.02650	5.3
223.04126	2.2
223.07556	1.5
224.04848	1.7
224.23077	1.2
225.58333	1.3
226.02654	1.2
227.03465	3.2
228.04182	2.0
229.01416	2.3
240.04257	7.5
240.08134	1.4
241.05038	5.4
241.08698	1.3
242.02188	11.4
243.02902	2.8
249.05644	1.0
251.03452	1.3
251.07179	1.4
251.44341	1.1
253.08717	2.3
255.02974	2.0
265.05212	1.9
267.03033	2.3
267.06656	2.0
268.03824	1.8
269.08179	8.2
270.01779	4.6
271.02475	2.1
279.03201	1.4
281.08136	1.4
282.01804	1.7
283.02585	1.6
283.99753	1.6
284.03479	1.5
295.02554	4.8
295.05890	2.1
296.03329	1.5
297.00534	3.3
297.07651	10.2
298.01178	19.6
299.01782	5.0
299.05453	1.5
307.02606	2.4
307.06104	1.8
310.01471	1.5
311.01950	19.3
311.18607	1.9
311.55194	1.5
312.02573	4.2
312.05701	2.6
313.07220	3.4
321.04077	3.5
322.01215	1.8
323.02002	30.4
323.05435	1.4
324.02469	3.4
325.03546	3.0
325.07312	11.0
326.00720	6.7
326.04199	2.0
327.75500	1.3
330.00186	11.5
339.01047	2.3
339.05054	35.9
339.08997	2.0
340.05640	3.3
341.06659	33.0
341.10635	2.2
342.07147	4.7
351.05185	1.9
367.04684	2.6
369.06143	100.0
370.06561	11.0
371.00165	1.2
385.05841	2.7
413.05292	46.1
413.09692	2.2
413.14459	11.9
414.05530	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	413.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22417	0.6
59.01377	5.9
64.52098	0.6
71.01374	1.3
72.15506	0.8
73.02891	0.6
80.77581	0.6
85.02900	0.9
89.02427	1.1
95.46380	0.6
101.02435	0.7
119.01383	1.1
123.00832	0.7
132.02122	1.0
133.02977	0.9
134.00069	1.1
141.03436	1.1
147.00862	3.8
149.99599	0.7
155.08289	0.9
160.01678	1.7
161.99591	1.8
163.00391	1.2
165.05504	1.2
165.99117	1.1
173.02461	0.7
175.00349	2.5
175.44110	0.6
186.03125	0.9
188.01138	1.7
195.04579	0.7
197.02400	1.5
197.09656	0.6
198.03110	1.4
201.99014	0.8
202.99837	11.4
204.00433	1.0
208.00177	1.1
209.06195	1.0
209.09569	0.7
211.04044	1.3
213.01988	1.0
214.02611	0.9
216.00647	0.7
217.98566	5.6
218.98766	0.7
221.06178	1.0
223.03960	0.7
223.07472	0.6
224.04840	0.9
225.05371	0.9
226.02840	0.8
227.03381	1.0
229.33421	0.9
230.99310	1.0
232.00145	1.7
237.05562	1.1
238.06326	1.0
239.03513	1.5
240.04178	3.6
241.01329	0.8
241.08694	1.6
242.02167	1.4
244.00194	0.7
245.00839	1.3
245.98001	4.7
246.98819	20.5
247.99193	1.1
251.03514	2.2
251.07025	1.2
252.04228	1.3
253.05048	3.2
253.08707	1.4
254.05646	1.0
259.96960	1.2
259.99628	20.4
261.00082	1.6
264.04227	0.8
265.04929	4.1
266.05606	1.6
267.03024	2.6
268.03644	3.2
269.00897	31.5
269.08041	3.6
270.01279	4.1
273.97540	5.1
279.06570	1.5
280.07437	0.9
281.04507	2.1
281.08081	4.0
282.05234	1.2
283.02448	0.9
295.02499	15.0
296.02777	1.3
297.04211	1.2
297.07571	9.0
307.02454	6.7
308.02994	1.9
309.03979	12.5
310.04642	2.1
312.99872	1.5
314.93967	0.7
314.97888	2.2
323.05563	7.7
324.05865	1.0
325.07144	44.4
326.07397	4.7
341.06631	6.5
351.05173	1.2
369.06104	20.2
370.06546	2.5
413.05115	100.0
413.30624	1.5
414.05325	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	412.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33415	1.0
58.69294	1.0
59.01151	0.9
59.01384	8.9
61.98829	100.0
70.81142	2.4
71.01376	3.0
73.02939	1.6
85.02986	1.1
89.02458	2.3
97.06596	0.9
101.02438	2.3
109.02922	4.7
110.03286	3.0
113.02466	1.5
119.03512	1.3
133.02962	1.3
141.12874	2.0
153.01920	3.6
154.02240	2.3
187.13431	4.3
230.99289	1.0
269.00739	1.8
279.19980	1.0
295.02448	1.8
297.07709	1.6
314.97885	2.4
325.06967	2.0
349.18622	14.3
350.19025	1.9
369.06061	1.6
413.05151	12.3
413.21954	5.3
413.30881	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	412.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14146	3.7
61.98826	100.0
63.00361	3.5
67.33772	4.1
69.02465	3.3
71.53197	5.3
89.55380	3.5
152.99576	12.4
159.99292	3.3
164.95705	3.6
203.19072	3.9
219.30750	3.9
258.15323	3.6
277.21753	47.9
311.16818	7.3
333.85669	4.8
337.47025	3.8
404.54080	4.3
413.30960	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	413.0514
Annotation	Kynapcin 24
Peak:m/z	Relative Intensity
59.01365	2.5
65.52142	0.5
66.75626	0.6
69.18203	6.5
81.88956	0.5
82.05553	0.6
84.37971	0.6
95.01391	0.8
123.00905	0.6
140.55327	0.8
145.02948	0.9
147.00874	0.8
161.02420	2.0
161.99535	0.8
163.00291	0.7
165.99063	0.7
169.02939	0.7
170.03725	0.7
171.04572	0.7
175.00374	1.1
177.99069	0.7
183.04503	1.2
184.05275	2.0
186.29147	0.7
189.01920	2.3
195.04539	1.0
198.03246	1.4
201.01996	0.8
202.99879	1.3
208.00160	0.8
208.14241	0.9
209.06001	0.9
211.03979	2.1
212.04773	1.0
213.09232	3.6
217.01501	0.7
217.98515	1.8
223.03979	1.8
224.04829	2.2
225.05469	0.7
225.09178	1.0
226.02728	0.6
227.03485	0.8
229.01389	1.7
236.68538	0.7
237.05582	0.9
238.06274	0.9
239.03586	1.4
239.07132	0.8
240.04271	3.2
241.08707	1.7
242.02211	0.9
245.00920	5.2
245.98090	2.7
246.98761	1.1
251.03421	3.3
252.04184	1.5
253.05154	0.8
253.08630	1.2
255.02988	1.1
259.99588	3.1
265.05066	2.4
267.02991	8.1
268.03729	9.3
269.00916	4.1
269.03821	1.1
269.08160	2.2
270.01627	0.7
273.00348	0.7
273.97638	1.4
279.02908	0.7
279.06586	1.0
280.07254	1.1
281.04663	1.4
281.08167	2.5
282.01837	0.9
282.05365	2.5
283.99670	2.7
285.00159	1.1
295.02475	23.9
296.02966	1.6
296.07159	0.7
297.00586	6.0
297.07648	25.2
298.01132	2.6
298.08017	3.2
309.03973	1.0
311.02054	1.2
311.23404	0.7
313.07181	1.1
314.97873	0.8
323.05649	1.6
325.07181	13.5
326.07431	0.9
339.05148	2.1
341.06668	4.1
369.01724	1.4
369.06140	15.4
371.19843	0.7
413.05133	100.0
414.05536	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	411.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.7
59.01368	20.7
61.98827	10.0
71.05026	22.5
77.80905	5.8
80.96528	31.9
88.04047	7.0
109.02937	11.8
144.04468	7.5
201.12399	8.8
256.19196	12.1
271.99457	7.5
305.92938	7.3
359.43225	7.3
379.04501	9.3
381.28305	12.1
393.27832	25.6
395.29755	33.9
411.07031	17.1
411.23151	37.0
411.28735	49.5
411.33524	100.0
412.28888	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44282	2.3
52.36149	2.6
53.53168	2.3
53.99587	2.1
54.91950	2.7
59.01381	100.0
63.54059	2.4
64.75807	2.5
69.99875	8.5
70.00282	3.8
71.65538	2.3
216.37108	2.6
227.83147	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71383	2.3
52.58714	2.4
59.01379	100.0
59.21140	2.2
62.87928	2.3
69.73622	2.6
70.22001	2.4
70.49823	9.1
82.56461	2.5
97.62141	2.4
222.96223	2.6
247.23242	2.8
354.45670	2.5
427.86899	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	412.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69046	1.0
54.08632	1.1
59.01376	3.4
61.98830	100.0
69.30176	7.3
69.30595	2.0
71.01373	1.5
71.80053	1.1
75.00874	3.8
87.00861	2.9
89.02449	2.2
93.03467	2.2
112.88732	1.1
116.92845	2.1
127.03993	1.5
133.02953	2.5
135.03004	8.4
136.03282	2.6
156.79678	1.0
161.02446	4.4
163.04056	2.1
176.04668	1.1
177.01981	1.1
177.09204	2.1
178.09550	2.4
179.03522	2.0
188.08002	1.4
191.05623	1.3
205.08632	1.1
206.08931	2.0
217.03552	1.3
249.11333	1.9
250.11563	6.7
251.05638	2.1
262.13733	1.0
267.06873	1.3
281.06931	1.3
361.62695	1.0
370.10556	1.1
412.13040	4.3
413.10870	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	412.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50039	1.0
59.01379	16.5
59.56778	1.0
60.01700	1.3
61.98828	100.0
70.68134	2.0
70.68475	0.8
71.01388	8.0
72.99281	2.5
73.02931	1.3
75.00874	7.8
78.95894	1.0
85.02955	3.2
85.06592	9.1
86.06917	5.9
87.00867	3.8
88.98801	4.2
89.02444	15.1
101.02427	5.4
113.02438	4.6
113.06104	1.8
114.06425	1.2
115.03995	2.2
119.03504	1.7
119.05002	1.7
125.02418	1.0
133.02969	6.7
135.03009	16.9
135.04495	1.9
136.03302	5.9
140.00563	0.9
145.02901	2.4
147.04532	1.4
161.02434	25.6
161.04480	2.2
163.03976	1.8
165.48344	1.1
176.04797	2.9
177.05194	3.8
177.09189	7.3
178.09563	9.4
179.03517	2.2
186.05374	1.0
187.07611	1.8
188.07893	3.5
189.07629	2.7
190.07973	1.8
203.06810	1.1
205.08623	3.8
206.09050	6.7
231.10233	1.0
232.10587	2.6
234.08382	1.2
249.11282	8.5
249.13428	1.1
250.11612	26.3
250.13615	1.0
251.07689	19.5
251.11821	1.4
267.07172	6.5
276.09570	1.2
294.10739	1.5
412.13013	8.5
413.10675	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	411.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	10.3
67.44798	5.9
68.40990	5.9
69.39749	13.1
69.40153	38.3
87.00845	6.3
124.33916	6.2
140.28072	5.7
149.02426	21.5
150.03236	43.7
162.03246	7.2
164.04848	11.5
165.05579	100.0
195.06630	38.6
327.10794	23.4
411.10275	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	411.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	66.1
61.98838	12.7
65.68888	2.4
66.23795	2.4
66.62003	2.5
69.03445	3.1
69.41762	19.4
71.01398	12.2
72.99299	4.9
73.02947	8.2
75.00862	21.6
83.01375	5.3
85.02940	4.9
85.06586	96.4
86.56621	2.2
89.02444	9.3
101.02422	10.0
106.02586	2.5
112.52392	2.5
113.02455	13.8
113.06080	23.3
115.03986	18.4
119.03509	4.2
127.03930	3.3
129.05551	8.3
135.02011	5.3
135.02998	70.8
155.03419	3.6
157.05022	10.2
161.02470	4.0
161.04514	3.6
174.03230	2.5
176.04791	15.9
177.09200	45.3
187.07628	12.9
189.07668	24.1
190.06326	5.7
202.06317	7.4
203.07057	3.1
205.08662	32.0
206.08997	3.9
217.03415	3.5
231.10255	11.5
249.11310	100.0
250.11581	7.2
275.09186	9.5
292.65527	2.4
293.10233	6.6
308.81540	2.4
411.12921	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	409.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38922	1.8
59.01387	17.9
61.19606	1.8
61.30015	1.9
69.22602	15.5
69.23005	4.8
71.01376	8.0
71.20950	2.1
75.00867	4.5
85.02960	5.3
86.83636	1.8
89.02433	3.8
98.56153	2.0
101.02460	3.8
113.02484	2.9
117.03455	27.2
119.03442	2.1
119.04996	6.3
125.02379	2.3
135.02975	3.0
145.02953	100.0
145.08702	2.4
146.03271	5.5
161.02425	2.5
161.04562	2.3
163.03983	5.6
173.78265	2.0
195.05067	17.6
349.18912	2.2
409.15030	37.0
409.20026	3.5
410.15213	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95095	0.9
59.01380	100.0
61.84318	1.0
61.98820	2.8
64.66145	1.0
67.53415	1.1
71.01381	18.9
72.99305	1.8
73.02937	3.6
75.00860	2.0
80.58529	1.0
85.02953	4.5
87.00869	2.0
89.02449	27.2
93.03448	1.3
95.01397	1.1
96.95998	4.4
99.00879	4.3
101.02446	13.0
113.02460	6.9
119.03483	8.1
120.99678	1.1
121.02942	2.2
122.03703	2.2
123.00804	1.3
123.04524	1.2
125.02396	2.7
129.01784	1.1
131.03474	3.7
134.03761	1.4
135.03004	4.1
135.04539	1.5
137.02417	1.6
143.03490	1.9
149.02455	9.4
149.04491	5.7
150.03230	16.9
161.02397	1.6
161.04561	6.6
163.04042	1.5
164.04767	2.3
165.04152	2.0
165.05554	27.0
169.01367	1.6
175.03983	1.5
178.02600	1.4
179.03354	1.3
179.05592	10.0
189.05460	1.2
190.02631	1.1
191.03636	1.0
191.05539	1.9
193.05035	4.2
195.06470	5.2
199.71498	0.9
201.01643	2.9
203.03516	1.6
205.05052	1.3
247.02391	3.4
268.63800	1.2
275.02020	2.0
275.07922	1.7
277.12772	1.2
285.07635	1.5
286.08572	1.7
300.99899	3.4
301.10687	3.6
319.04318	2.4
319.10107	1.0
349.15259	1.2
349.18698	10.4
350.18939	1.8
361.12836	6.6
362.13278	1.3
373.10898	1.1
409.07797	2.2
409.12900	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78769	1.1
57.03445	1.9
58.00585	1.7
59.01377	100.0
59.55050	1.3
61.98808	1.7
66.43675	1.2
69.25019	12.1
71.01377	33.7
72.85006	1.1
72.99284	1.7
73.02936	5.6
75.00856	2.7
83.01380	2.6
85.02957	8.1
85.99143	1.3
87.00864	1.9
89.02438	39.4
95.01386	1.6
99.00871	1.9
99.16077	1.3
101.02441	24.4
113.02430	14.2
119.03508	19.6
125.02401	1.5
135.03000	7.0
143.03488	4.5
149.02504	1.3
149.04459	1.7
150.03203	1.4
159.02975	1.6
161.04582	14.6
165.05577	2.4
179.05638	12.4
187.13403	6.8
209.92644	1.2
263.13318	1.2
273.07526	3.0
291.18042	2.0
349.18646	53.1
350.18948	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	409.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
59.01379	100.0
61.98820	1.7
69.66599	0.9
71.70661	0.7
96.95988	1.3
137.88673	0.8
139.32445	0.7
177.49922	0.7
179.16136	0.9
258.80890	0.8
305.24826	3.0
336.45465	0.7
366.79953	0.8
390.37390	1.0
399.63031	0.8
409.29950	3.7
410.30478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.3
70.64923	3.5
71.01062	1.5
71.01387	18.9
72.99304	33.0
73.02936	9.1
75.00864	16.8
81.03446	7.1
83.01385	2.8
83.05024	34.6
85.02950	7.7
87.00866	3.1
88.40378	1.5
88.98808	1.3
89.02431	6.8
92.68913	1.4
93.03445	6.4
99.00880	4.1
101.02428	12.9
104.92288	1.5
111.03827	2.0
111.04519	25.3
113.02417	3.6
115.04022	11.3
117.01931	3.7
125.02434	1.5
127.04008	56.2
129.05548	5.5
134.03723	6.9
135.02994	68.8
136.01656	2.7
137.02409	4.9
147.04550	1.6
148.05247	2.7
149.06044	2.2
150.07230	1.5
151.07608	1.8
151.89647	1.4
155.03503	48.0
156.03767	1.8
158.03749	2.1
159.04469	2.9
161.02432	4.4
161.04515	6.7
161.05771	1.4
171.02983	2.3
173.05994	3.4
174.06856	1.7
175.04109	1.6
175.07584	3.3
176.04771	19.2
177.09200	58.1
178.09521	3.6
179.07080	1.9
187.03914	2.0
187.07625	26.1
188.07997	2.3
189.04002	2.8
190.06340	4.1
193.05049	1.7
199.00807	2.4
199.02486	30.2
201.05539	2.7
202.06345	10.3
203.06993	2.3
203.10828	3.3
205.06931	2.5
205.08707	32.4
206.09029	2.0
213.09171	4.2
213.64684	1.4
215.07022	1.6
217.03510	69.7
218.03802	2.8
231.10229	23.0
233.08238	2.9
235.04546	4.1
249.11295	100.0
250.11626	8.1
257.08151	3.3
275.09259	30.9
279.14471	19.1
293.10358	13.3
299.55338	1.5
393.11929	3.1
411.07605	2.7
411.12854	39.0
411.18619	17.3
412.13019	3.8
412.18765	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.7
61.98825	1.8
71.01373	3.3
71.53172	2.4
72.99332	1.7
75.00882	6.1
89.02435	2.8
93.03439	3.6
95.01357	1.8
101.02418	3.2
101.21272	1.6
108.02160	1.8
119.05085	1.5
120.08619	1.8
121.02933	6.9
122.03773	8.0
123.01661	1.7
124.77125	1.6
133.02963	1.9
135.02971	7.8
149.02438	100.0
149.04506	6.3
150.03230	91.4
151.03615	3.2
152.01158	2.8
156.06856	1.6
161.02437	1.9
163.03943	2.8
164.04788	26.1
165.05568	99.6
166.05879	5.0
177.03970	4.5
180.04301	7.8
181.04968	5.7
182.05794	2.0
193.02290	1.6
193.08736	4.4
195.04814	3.3
195.06609	64.0
196.07159	3.6
211.09738	2.5
229.14389	3.8
231.15926	2.8
260.59863	1.7
269.25754	1.6
271.06049	3.8
313.57477	1.7
315.12173	2.0
344.12549	12.5
359.14975	84.9
360.15240	10.2
363.21729	2.6
407.07690	2.9
407.19727	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	407.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03446	1.1
58.00595	3.4
59.01377	100.0
60.01718	0.5
61.98829	1.4
63.00480	0.4
64.54430	0.4
66.66900	0.4
69.03452	2.5
69.40738	3.4
69.53138	0.4
71.01379	49.5
72.01734	0.6
72.99306	5.7
73.02943	36.4
75.00875	1.0
75.99931	0.4
81.03462	1.1
83.01389	4.2
85.02947	16.1
86.00090	1.9
87.00874	12.2
87.04514	4.9
89.02442	47.3
90.02746	0.8
95.01364	1.6
97.02931	1.4
99.00860	0.8
99.04533	0.8
101.02440	58.5
102.02780	1.2
103.04010	28.2
109.02920	0.5
113.02446	9.7
115.04009	8.5
119.03500	20.0
120.03807	0.4
122.00227	0.4
125.02460	4.3
127.04027	2.5
131.03494	11.9
132.03812	0.4
133.05031	0.5
133.58679	0.4
143.03491	17.2
144.03856	0.5
145.05074	8.7
149.04539	0.6
159.04453	0.5
160.19853	0.4
161.04543	2.1
163.06117	50.6
163.12733	0.4
164.06439	1.4
171.10318	0.5
179.05605	3.7
205.07158	35.0
206.07431	1.1
261.13412	1.1
265.09229	2.6
359.14441	0.5
407.19104	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	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03428	1.4
59.01380	100.0
60.01686	1.6
61.98817	0.9
69.03436	0.8
69.23141	7.8
70.02773	0.8
71.01382	17.8
73.02953	7.3
74.31925	0.8
75.00859	2.2
80.22847	0.8
83.01384	3.6
85.02945	8.3
87.00874	1.2
87.04553	0.8
89.02438	7.2
89.39138	0.8
93.03446	1.2
95.01383	1.1
99.00882	2.5
101.02441	18.8
107.89187	0.7
113.02472	6.6
119.03464	2.2
125.02414	4.3
135.02963	1.9
137.02455	1.7
143.03520	1.1
145.02922	1.3
156.95030	0.9
159.02924	1.1
161.04536	11.3
163.06122	1.2
165.81004	0.7
183.82559	0.8
185.11803	1.5
197.37007	0.8
261.13409	3.5
281.06512	1.4
302.83368	0.9
307.08365	0.9
330.53375	0.8
347.17105	30.8
348.17413	1.6
365.18076	12.0
407.14499	1.0
407.19287	13.4
408.19238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.1
58.00592	2.7
59.01379	72.3
61.98824	2.7
65.28409	0.8
69.03448	1.8
71.01379	54.7
71.51673	0.8
72.01724	1.0
72.99303	4.5
73.02944	21.3
75.00882	1.8
82.45036	0.7
83.01384	2.5
85.02951	9.6
87.00866	1.9
87.34591	0.8
87.73254	0.7
89.02442	100.0
90.02768	1.6
93.03483	1.5
95.01378	1.5
97.02953	1.3
99.00875	34.9
99.04480	0.8
101.02438	37.6
102.02716	1.0
111.09123	0.7
113.02449	12.6
115.03975	1.2
116.60841	0.8
119.03489	4.8
121.02916	0.8
122.03699	1.4
123.04504	1.0
125.02444	6.8
131.03502	18.5
132.03778	0.8
135.02994	2.8
135.04520	1.5
136.01637	0.8
137.02441	1.1
143.03481	1.6
149.02480	3.0
149.04549	65.3
150.03229	13.7
150.04922	2.4
151.03877	1.0
159.04533	1.0
161.02478	1.9
161.04564	6.2
164.04834	0.8
165.05571	18.1
169.01472	2.2
175.04115	1.3
179.05615	1.7
180.04312	1.1
190.02739	1.6
190.46208	0.8
191.03745	1.4
191.05603	17.1
192.05965	0.9
193.01385	1.1
195.06631	7.1
205.04979	0.9
217.01341	1.8
218.02151	2.7
221.06621	3.2
229.01453	1.6
233.06538	1.5
246.01627	5.4
247.02467	11.5
248.02879	0.9
251.07663	3.2
265.86240	0.8
273.07776	1.1
275.01895	2.2
277.12903	4.9
300.99860	2.8
321.04178	1.0
349.15051	1.4
349.18744	1.4
361.12823	1.2
377.53070	0.9
409.07925	9.2
409.12561	1.3
409.17142	10.1
410.08197	1.3
410.17505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03209	1.6
53.14027	1.7
59.01379	69.5
69.95647	7.8
71.01369	3.4
78.14947	1.6
82.02976	9.3
83.01366	1.9
84.46001	1.4
98.19860	2.3
101.00709	1.5
101.02416	3.5
120.55692	1.5
125.02412	3.5
136.04047	1.9
160.07620	2.4
164.03546	7.4
173.25758	2.0
179.03459	1.6
181.01387	2.1
186.05611	2.7
188.07129	4.1
200.07196	1.7
202.08730	4.5
216.05331	7.1
216.10219	2.5
217.02544	5.1
217.06302	10.0
218.06808	1.7
228.06607	2.5
229.01305	1.9
229.06058	7.7
230.03331	2.3
230.06906	3.9
231.07707	10.1
232.08354	3.5
241.06169	4.5
242.03316	2.3
243.04060	19.9
243.07793	4.4
244.04915	12.6
244.09836	11.1
245.09290	6.3
248.09367	3.6
256.04849	5.5
257.05576	14.8
258.06387	8.0
259.07184	43.2
259.10773	7.4
260.07516	3.1
269.09372	2.4
271.07257	21.3
272.07922	1.8
274.01102	5.6
275.01938	11.8
285.08704	5.0
287.10364	77.2
288.08746	6.0
288.11288	2.5
291.09930	10.9
298.05817	2.3
313.08279	100.0
314.08682	5.6
331.09332	53.4
332.09668	3.6
335.08926	3.9
345.10938	6.7
347.17068	3.6
357.06952	2.4
365.18246	3.9
375.08307	21.7
389.09851	4.7
407.06070	4.8
407.10855	55.6
407.19281	6.3
408.11200	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	407.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
59.01379	51.0
65.99850	3.3
70.80659	1.6
71.01389	10.2
71.52036	2.5
72.12608	1.3
72.99281	1.9
73.02939	3.1
74.99078	1.6
78.23853	1.4
82.02972	9.7
83.01418	2.9
85.00127	1.7
85.02955	5.8
87.00872	2.1
89.02454	4.9
95.01408	3.7
97.25503	1.5
99.00914	1.9
101.02420	8.0
108.02176	6.2
109.02950	27.1
111.00867	2.5
113.02459	5.6
119.03493	2.1
123.00903	2.3
123.36028	1.5
124.01640	1.9
125.02454	2.0
127.07628	1.5
127.20797	1.5
135.03088	2.7
143.44481	1.6
151.03964	2.1
153.01942	34.5
160.07684	2.6
161.04694	2.4
162.04340	2.8
162.05594	1.9
164.03525	7.7
174.05536	2.6
181.44765	1.6
186.05617	2.9
188.07156	3.5
191.04616	2.6
196.06134	1.7
202.08755	2.9
204.05222	2.1
214.05199	2.4
215.04575	2.6
216.05453	6.0
217.02536	5.9
217.06184	11.0
218.02873	1.5
218.06932	3.4
229.01515	2.5
229.06221	7.1
230.03323	3.5
230.06993	4.5
231.07750	13.7
232.08533	5.0
241.06081	3.7
242.03407	3.0
243.04050	17.8
243.07770	3.8
244.04791	17.9
244.09810	13.6
245.05115	1.8
245.09430	6.4
248.09337	2.3
254.06929	1.7
256.04901	6.1
257.01193	1.9
257.05652	17.8
257.09048	2.1
258.06412	7.0
259.07272	47.2
259.10864	6.7
260.07404	2.7
269.09344	3.2
270.07434	1.8
271.07220	23.8
272.07907	2.5
274.01285	7.8
275.01990	16.3
285.08813	4.8
287.10367	78.5
288.08698	5.7
288.11258	3.3
289.16641	2.8
291.09930	9.0
297.06204	12.1
298.06290	2.2
313.08289	100.0
314.08640	12.1
317.07965	3.6
319.13083	2.5
331.09326	60.0
332.09769	5.4
335.08954	1.9
345.10965	9.0
346.11383	2.2
347.17294	3.2
357.07120	3.4
365.18140	4.8
375.08295	22.3
389.09909	4.4
407.06128	6.9
407.10641	83.5
407.18811	16.3
408.10788	9.9
408.19522	2.4
418.32181	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
56.95763	0.4
57.03448	16.2
58.00595	3.7
59.01379	100.0
60.01713	0.9
61.98825	1.6
64.70472	0.3
68.99821	0.9
69.03456	1.1
71.01381	69.3
71.05016	0.4
71.51997	0.5
72.01711	1.0
72.99301	4.2
73.02946	4.6
74.02465	0.5
75.00886	1.0
81.03468	0.5
83.01387	3.1
83.05019	2.7
85.02953	15.2
86.03278	0.4
87.00880	3.6
87.04533	0.9
88.94281	0.3
89.02444	80.3
90.02785	1.1
93.03463	0.4
95.01395	4.0
95.05025	0.5
97.02936	0.5
97.06587	0.7
99.00882	1.6
99.04464	0.3
99.05682	0.4
101.02441	35.0
102.02804	0.7
109.02929	0.5
109.06599	1.0
111.04521	0.5
112.05305	2.8
113.02451	24.7
113.06085	0.6
114.02777	0.7
115.00362	0.9
115.04019	0.8
116.63427	0.4
119.03503	28.6
120.03876	0.6
120.05805	1.0
121.06631	0.6
125.02472	1.0
125.06091	1.2
128.03540	1.4
129.01955	0.6
131.03497	2.9
131.08656	0.4
134.07367	4.4
135.03023	1.2
135.08179	3.4
137.06108	0.5
137.09717	3.3
139.07654	4.9
139.11311	0.7
143.03506	5.1
143.04636	1.4
144.04942	0.6
149.04582	2.5
149.09714	44.0
150.10071	3.0
152.04813	0.6
153.09210	26.4
154.09564	1.5
155.01723	0.4
159.02946	0.8
160.00717	0.5
161.04556	9.7
167.10771	73.7
168.11102	3.9
171.10266	1.4
175.02470	1.7
179.04111	0.7
179.05617	9.0
207.13850	2.1
209.11859	3.0
225.11345	0.9
225.14970	3.6
227.03613	0.4
240.56558	0.3
243.15997	15.3
244.16362	1.1
255.08270	0.4
287.15036	1.7
306.07556	0.9
307.07889	1.6
350.34293	0.4
405.12582	0.8
405.17032	6.9
405.21591	3.2
406.17944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65788	0.9
52.37231	1.1
57.03450	10.1
59.01383	15.9
61.98827	3.8
67.01894	2.9
69.03447	1.9
71.01392	11.8
73.02946	2.1
75.00866	1.8
79.01880	2.9
79.82599	1.0
85.02943	6.1
87.00883	3.0
89.02428	5.1
94.77679	0.9
97.02940	3.2
99.00880	3.5
101.02435	2.3
105.01942	6.1
107.01403	5.7
108.02111	1.3
111.08139	1.3
123.00901	3.7
125.02441	3.5
129.01944	36.1
137.02467	1.0
138.03192	2.0
138.46497	1.3
147.02995	15.2
151.00351	3.2
165.12836	24.2
166.13121	2.4
177.04036	27.7
183.13893	82.7
184.14166	4.6
195.05112	9.4
209.11839	2.8
216.28101	0.9
227.12883	100.0
228.13165	6.1
242.05920	5.1
243.06548	4.0
243.16116	1.2
246.01595	1.0
297.06332	1.3
329.06088	1.3
387.16431	1.7
396.69931	1.1
405.10986	4.0
405.17551	25.5
405.22278	1.5
405.70636	0.9
406.18073	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	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01867	1.7
57.03445	12.3
57.92363	0.5
58.00595	4.0
59.01377	100.0
60.01707	0.9
61.98829	1.9
64.58311	0.3
68.99817	0.6
69.67668	1.9
71.01379	65.9
71.14916	0.3
72.01710	1.0
72.99303	3.6
73.02940	3.8
74.02438	0.4
75.00874	1.2
81.03445	0.4
82.27737	0.3
83.01370	2.5
83.05025	1.7
85.02948	15.5
87.00870	3.2
87.04506	0.9
89.02441	75.6
90.02771	1.5
95.01382	4.4
97.02947	1.1
97.06583	0.8
98.19932	0.5
99.00875	1.9
99.04521	0.6
99.05640	0.7
101.02439	31.8
102.02780	1.0
107.03549	0.4
109.02892	0.4
109.06571	1.4
111.00845	0.5
112.05305	2.7
113.02448	26.8
113.06044	0.4
114.02788	0.7
115.04018	0.5
119.03493	29.0
120.03874	0.7
120.05813	0.7
121.06606	0.5
125.02393	1.0
125.06055	0.8
125.09685	0.5
128.03522	1.5
129.03879	0.4
131.03496	2.8
131.08694	0.6
134.07376	5.0
135.02966	1.5
135.08209	2.9
137.09694	3.2
139.07657	5.4
139.11292	0.7
143.03487	4.3
143.04605	1.3
144.04999	0.5
149.04581	2.2
149.09714	43.8
150.10080	2.0
153.09204	24.7
154.09543	1.4
159.02933	1.0
160.00731	0.5
161.01080	0.3
161.04544	9.3
166.98199	0.4
167.10764	71.4
168.11140	4.0
171.10223	0.8
175.02466	0.6
179.05605	9.9
207.13824	1.8
209.11829	2.9
210.12051	0.5
225.11366	0.6
225.14890	4.3
243.15991	13.0
244.16330	0.5
248.26823	0.4
255.07922	0.4
256.26474	0.3
272.08917	0.5
287.14938	1.3
306.07571	0.8
307.07785	1.5
405.09094	0.8
405.17087	9.1
405.21512	2.8
406.17645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01871	1.8
57.03448	11.7
58.00594	4.1
59.01379	100.0
61.30198	0.7
61.98827	9.4
62.82685	0.7
65.18727	0.7
69.03484	1.0
69.23330	6.1
71.01381	62.9
71.05016	2.0
72.01745	1.4
72.35605	0.6
72.99290	5.2
73.02953	5.0
74.21191	0.7
75.00883	1.3
83.01394	2.9
83.05018	3.4
84.02100	0.9
85.02950	13.5
87.00880	6.6
89.02443	76.1
90.02778	1.1
95.01394	3.8
97.06622	1.2
97.75043	0.7
99.00893	1.8
99.04533	0.9
101.02444	37.6
111.04556	2.1
111.08152	1.1
112.05340	2.0
113.02444	26.5
114.02831	0.8
115.00376	7.3
115.04015	2.9
116.92878	1.7
119.03503	31.3
120.03834	0.9
121.06593	1.5
125.02445	1.3
125.06060	0.9
131.03532	3.2
134.07367	3.6
135.03026	3.3
135.04514	0.9
137.09752	1.5
139.07707	2.9
143.03522	5.2
149.04588	3.8
149.09717	30.3
150.10081	1.4
153.09261	1.3
155.07184	1.6
159.02954	0.7
161.04546	8.4
162.02797	1.0
167.10773	55.0
168.11119	1.9
171.10321	2.1
175.02477	20.4
179.05614	13.3
180.17050	0.7
183.10236	1.5
207.13892	6.6
225.14929	10.6
227.03549	0.9
231.42136	0.8
243.15999	8.8
255.29065	0.7
282.07138	0.8
287.14948	10.3
342.09225	1.2
387.20206	5.1
396.79617	0.7
405.09354	0.9
405.17383	8.3
405.21527	20.7
406.17288	0.9
406.21869	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	405.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.8
58.99941	1.1
59.01379	100.0
60.01715	1.6
61.98811	2.3
69.03446	2.8
69.34525	8.2
71.01379	8.4
73.02934	1.2
75.00864	1.5
79.13669	0.9
85.02946	3.2
85.75258	1.0
87.00829	1.0
89.02431	5.6
95.01403	1.0
98.19879	1.1
101.02465	4.7
110.70503	0.9
111.08143	0.9
113.02435	3.9
117.03490	1.2
119.03477	4.0
123.08135	1.1
139.11304	5.2
145.02928	5.5
161.04625	1.5
179.05640	1.3
183.10249	50.6
184.10542	3.7
199.13458	1.1
207.13832	1.1
221.06555	1.7
225.11211	1.3
267.07666	2.6
269.13626	1.1
274.21521	1.1
281.09265	7.7
283.06223	1.2
285.12387	2.0
293.09329	2.3
295.07123	1.6
296.07928	3.6
311.10336	20.5
312.10693	2.1
329.11444	3.8
369.11746	3.0
373.10278	1.4
405.12250	1.7
405.17175	2.6
405.25620	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	405.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.8
58.99941	1.1
59.01379	100.0
60.01715	1.6
61.98811	2.3
69.03446	2.8
69.34525	8.2
71.01379	8.4
73.02934	1.2
75.00864	1.5
79.13669	0.9
85.02946	3.2
85.75258	1.0
87.00829	1.0
89.02431	5.6
95.01403	1.0
98.19879	1.1
101.02465	4.7
110.70503	0.9
111.08143	0.9
113.02435	3.9
117.03490	1.2
119.03477	4.0
123.08135	1.1
139.11304	5.2
145.02928	5.5
161.04625	1.5
179.05640	1.3
183.10249	50.6
184.10542	3.7
199.13458	1.1
207.13832	1.1
221.06555	1.7
225.11211	1.3
267.07666	2.6
269.13626	1.1
274.21521	1.1
281.09265	7.7
283.06223	1.2
285.12387	2.0
293.09329	2.3
295.07123	1.6
296.07928	3.6
311.10336	20.5
312.10693	2.1
329.11444	3.8
369.11746	3.0
373.10278	1.4
405.12250	1.7
405.17175	2.6
405.25620	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28187	1.0
56.38997	1.0
57.03438	2.2
58.00580	1.4
58.59317	1.0
59.01378	54.0
61.98821	3.4
71.01374	25.3
72.99315	1.6
73.02933	4.1
83.01355	1.7
85.02944	6.9
87.00851	1.2
87.04500	1.2
89.01933	1.8
89.02442	24.9
93.03451	2.2
94.03806	1.4
95.01392	2.9
97.93970	1.0
99.00857	2.1
101.02452	13.8
113.02454	7.3
119.03503	8.6
123.04542	1.2
135.92911	1.0
137.02420	4.3
138.02791	1.4
139.11290	2.2
161.04538	2.9
163.11313	8.3
171.10284	1.4
175.04060	1.0
177.03909	1.1
179.05730	1.5
181.12331	31.3
182.12701	3.6
183.10248	1.9
197.45377	1.2
199.13438	2.4
207.10408	1.5
225.11310	100.0
226.11778	6.7
226.13602	1.0
226.44008	1.2
243.12373	21.5
281.09283	1.2
288.89746	1.3
306.52774	1.1
311.10223	4.3
315.14462	1.8
329.11032	1.8
329.27994	1.0
338.37756	1.3
343.08234	2.1
345.15717	2.4
355.33121	1.2
357.13580	1.1
361.09195	3.1
361.18970	2.3
387.24014	1.4
405.12405	2.7
405.17603	43.9
405.24829	3.6
406.17883	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	405.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03451	6.9
58.00572	0.5
59.01107	0.9
59.01379	11.9
61.98838	0.7
64.57277	0.5
68.99815	1.7
69.03454	6.6
69.42739	3.7
71.01383	18.0
72.99304	4.1
73.02930	1.5
75.00871	30.5
82.14302	0.5
83.01385	2.9
84.02164	0.7
85.02949	15.5
87.00878	16.1
89.02441	3.3
90.94125	0.5
95.01417	1.1
97.02946	7.6
97.06579	0.6
98.19872	0.9
99.00884	6.7
99.81553	0.6
101.02460	2.2
111.08162	0.8
113.02414	1.1
115.04027	0.9
117.01933	0.7
126.09067	0.5
129.01944	13.7
130.32411	0.5
131.03456	0.6
132.09966	0.5
141.01941	7.1
150.36389	0.5
159.03032	3.8
160.14215	0.5
165.12849	13.4
167.14465	0.6
175.69075	0.6
177.04034	86.2
178.04376	3.3
183.13893	45.1
184.14220	3.3
195.05078	4.9
197.15422	3.1
207.13878	1.5
209.11873	2.1
225.14922	3.0
227.12885	29.1
228.13200	1.1
269.14047	2.6
299.14774	0.5
329.16165	1.0
370.20901	0.6
387.16595	14.9
387.21356	1.1
388.16684	0.9
395.10876	0.6
405.17630	100.0
406.17996	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03450	5.9
59.01096	1.2
59.01375	9.2
69.03455	3.4
71.01381	13.8
71.29839	0.9
71.92145	0.8
72.99298	3.2
73.02945	1.4
75.00871	33.1
75.14707	0.7
76.03086	0.7
81.57314	0.9
83.01369	1.4
84.02138	1.5
85.02948	11.0
87.00876	12.9
89.02452	3.3
91.01025	0.9
97.02925	4.1
99.00885	6.5
101.02433	2.1
111.00864	1.7
117.32021	0.8
123.75865	0.7
129.01953	13.5
141.01942	6.3
159.02972	5.2
165.12839	14.5
177.04033	55.1
178.04413	1.5
183.13892	41.9
184.14178	2.6
195.05086	21.2
197.15497	2.9
207.13939	0.9
209.11742	1.9
225.15146	1.0
227.12871	28.5
228.13251	1.9
251.12753	0.9
269.13873	1.5
343.23022	0.9
387.16638	11.8
388.16901	1.0
403.73743	0.9
405.17633	100.0
406.17978	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
57.03441	7.2
58.00603	1.0
59.01381	13.7
61.46478	0.9
61.98829	1.7
68.99820	1.2
69.03435	1.2
69.36291	5.3
69.36716	2.5
71.01004	1.4
71.01379	16.4
72.99308	7.0
73.02937	1.4
75.00871	45.4
75.96490	0.8
83.01383	3.8
84.02164	1.2
85.02952	19.4
87.00868	3.7
89.02444	7.2
97.02963	2.8
99.00878	11.3
101.02435	2.2
111.00852	2.9
113.02451	1.2
117.01955	1.2
123.00869	3.9
129.01944	21.6
135.00859	1.4
137.02409	1.8
138.03249	1.2
140.69299	0.9
141.01913	4.2
149.04558	1.0
153.01996	1.3
159.02972	8.2
165.12839	19.6
177.04033	31.4
183.13892	70.7
184.14262	5.2
195.05098	100.0
196.05461	1.9
209.11755	2.1
227.12871	71.0
228.13214	5.0
257.39362	1.1
387.16470	4.8
405.17624	61.4
406.17993	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	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
59.01381	100.0
60.01701	1.0
61.98829	28.2
63.99247	1.0
70.44044	0.8
70.71697	0.7
71.01383	7.9
71.52470	1.3
78.09292	0.8
83.01366	1.3
85.02956	2.5
87.00896	1.9
89.02451	7.4
93.03519	1.0
95.01387	1.2
101.02438	5.4
109.02946	1.0
113.02448	3.9
115.04001	0.8
116.92811	2.1
119.03488	2.4
122.06096	1.6
123.00840	2.0
123.04456	1.0
125.02472	1.5
133.02974	1.0
135.03008	2.5
135.04547	1.2
139.00444	1.0
139.99417	1.0
141.01813	1.0
149.09698	1.5
153.01938	1.6
155.01762	1.7
161.02397	2.8
161.04488	1.7
162.02705	1.1
163.04008	1.2
167.10789	3.1
168.04274	4.9
169.01411	1.5
175.04018	1.0
177.01953	1.3
179.03442	2.5
179.05586	1.1
180.03864	1.5
183.06612	14.6
184.07037	0.9
188.32166	0.8
189.01936	1.0
191.03596	1.4
201.01881	1.0
203.03482	0.9
204.78728	0.9
217.01357	1.4
227.03500	1.4
229.01479	1.1
245.00986	1.1
275.01950	2.5
282.06989	1.1
287.15030	1.4
300.99829	3.4
336.90512	0.9
342.08905	1.8
362.02969	1.1
405.08298	1.8
405.17468	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	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36272	1.1
57.03446	8.7
59.01376	20.0
61.98823	2.1
67.01900	1.7
69.03461	1.1
71.01383	16.9
72.99310	9.0
73.02964	2.6
75.00868	6.4
83.01383	4.7
85.02956	7.4
87.00879	24.1
89.02465	6.6
98.19936	2.1
99.00877	4.5
101.02438	4.8
103.00381	5.3
105.01931	93.4
106.02232	1.6
108.38190	1.1
111.00873	12.8
111.08118	2.2
113.02412	1.7
115.04017	2.3
129.01942	31.1
141.22612	1.0
147.02997	18.2
165.04149	1.3
165.12840	27.5
166.13127	1.6
177.04037	37.9
178.04346	1.7
183.13885	100.0
184.14197	6.2
190.90741	1.2
195.05112	7.3
197.15479	2.3
209.11794	5.9
222.41258	1.1
227.12877	59.9
228.13272	5.2
295.15512	1.8
339.14655	1.5
354.70502	1.1
357.15546	11.3
358.15839	2.7
387.16592	54.0
388.16840	6.6
405.17621	98.6
406.17896	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	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01381	2.1
61.98828	0.8
65.00337	0.6
65.03968	2.2
67.01878	1.7
68.99821	1.1
69.38921	2.9
71.01367	0.8
75.00887	0.4
77.96330	0.3
80.02682	0.6
85.02964	0.8
91.01892	40.2
92.02232	1.1
93.03423	0.3
95.01398	0.4
99.33416	0.3
101.02462	0.7
102.05930	0.4
107.05025	2.4
108.02187	2.6
109.02950	29.5
110.03305	0.5
116.98800	0.3
121.02972	1.7
123.00897	1.3
123.04566	0.5
129.01939	2.4
131.05038	0.5
133.02943	0.6
135.00883	100.0
136.01180	3.3
137.02461	2.8
138.03241	0.7
147.02994	2.2
147.04578	0.4
149.02402	1.2
153.01930	83.5
154.02283	3.2
161.02444	0.9
165.12828	0.7
175.04030	3.4
177.01895	2.8
178.23776	0.4
181.06483	0.4
183.13914	3.1
187.07561	0.4
195.05042	0.9
197.06036	1.3
225.05472	0.7
227.12872	2.3
243.06593	13.1
244.06993	0.7
267.06567	0.5
297.06119	13.7
298.06442	1.0
405.11932	10.6
405.17471	1.2
406.12225	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	404.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29361	1.5
59.01382	15.0
61.98829	100.0
71.01396	3.7
85.02966	2.2
101.02415	2.1
164.83682	2.2
369.13391	2.5
387.25485	4.8
404.25403	2.9
405.17844	2.2
405.22623	5.2
405.27237	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	405.1188
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
55.01868	1.1
59.01384	5.0
61.98838	2.9
65.41080	0.7
67.77530	0.6
69.03452	47.2
69.92503	2.8
70.03771	1.9
71.01373	1.7
75.00856	0.7
79.01886	39.8
80.02223	1.1
81.03455	2.7
83.01370	0.9
85.02937	2.0
93.03461	1.5
95.01389	7.5
97.02950	27.5
97.03585	1.4
98.19971	0.9
99.00881	0.7
101.02436	1.5
107.01388	80.5
108.02261	5.3
109.02958	6.4
113.02431	1.4
119.05065	0.7
121.02941	3.5
123.00889	16.1
124.01199	1.0
125.02445	45.4
126.02738	1.2
129.01945	1.4
133.02963	2.9
134.03743	0.9
135.00890	19.8
135.04504	1.7
136.01643	6.5
137.02441	3.9
138.02802	1.0
145.02933	1.2
149.02428	2.5
151.00365	76.4
152.01164	7.4
153.01938	22.0
154.02248	0.6
162.03299	0.6
163.04004	6.8
165.01929	0.6
174.15132	0.8
175.04039	1.1
177.01917	9.0
179.03461	0.8
187.96512	0.6
189.01913	0.8
193.04973	0.8
197.06001	1.7
198.06790	0.9
207.02875	1.0
217.05087	0.7
225.05629	1.1
242.05832	100.0
243.06522	29.4
244.06982	1.3
253.06963	0.6
285.07632	3.0
297.06033	7.1
298.06409	1.1
305.21375	0.6
405.11896	44.9
406.12109	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	405.1188
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.61061	0.4
52.79259	0.4
59.01377	4.8
61.98830	1.8
65.00336	0.7
69.03447	0.6
71.01376	0.4
73.02956	0.4
79.40908	0.4
85.02959	1.0
91.01898	14.6
92.02192	0.4
93.03455	5.4
95.01397	0.4
101.02418	0.6
107.01407	0.5
107.05028	0.6
108.02172	19.5
109.02978	4.5
121.02972	1.1
123.00896	6.6
123.04511	0.4
124.01698	0.6
129.01953	2.1
133.02989	0.5
135.00891	15.6
137.02440	15.5
138.02812	0.5
148.90962	1.1
152.01151	17.6
177.01999	0.5
177.04080	0.4
197.06079	1.5
213.05533	0.8
215.07117	1.2
241.05144	0.5
243.06604	100.0
244.06950	8.4
260.52991	0.4
275.09216	0.8
316.14825	0.3
329.73248	0.3
343.87930	0.3
349.72595	0.4
361.23849	0.7
390.56030	0.4
405.07355	0.6
405.11905	6.3
405.17209	0.6
405.22659	2.6
405.27182	0.6
406.12119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1189
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
50.22952	0.8
54.08065	1.0
57.03445	1.9
59.01377	9.2
61.98829	2.2
68.99793	0.9
69.03455	48.6
71.01376	7.1
72.00954	1.1
72.99296	1.2
75.00860	10.3
79.01888	41.2
81.03442	1.5
81.29480	1.0
83.01402	1.0
85.02935	7.3
87.00876	1.2
89.02448	3.8
93.03445	1.6
95.01391	7.6
97.02944	24.1
98.20684	2.0
99.00881	3.1
101.02444	2.3
107.01388	82.0
108.02219	10.3
109.02966	6.1
109.06541	1.3
113.02483	1.7
121.02950	5.9
123.00888	15.3
125.01523	2.2
125.02446	45.4
126.02766	1.3
129.01952	5.9
133.02979	3.3
134.03789	1.2
135.00894	2.7
135.04510	3.6
136.01659	7.9
137.02458	4.8
141.02005	1.5
145.02907	1.8
149.02448	4.6
151.00366	68.9
152.00940	4.3
153.01947	18.1
153.05542	1.2
159.02936	2.4
163.04018	8.4
165.12840	3.9
177.01927	11.6
177.04054	6.3
183.13914	15.3
195.05096	28.6
196.05441	1.5
197.06050	5.5
199.07626	1.2
207.03058	1.3
215.07048	1.2
219.02922	1.4
227.12889	15.3
228.13089	1.8
242.05832	100.0
243.06566	49.4
244.06935	3.3
285.07669	3.4
297.06079	15.0
298.06418	1.5
405.11835	17.7
405.17584	7.1
405.22220	1.1
406.11862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08839	2.3
59.01387	12.1
61.98833	100.0
70.09395	11.4
71.01389	5.3
78.95919	2.9
89.02436	6.4
101.02422	4.9
113.02493	2.4
133.02930	19.5
135.04498	14.2
137.02444	5.0
149.06102	2.3
161.02443	93.6
162.02757	5.8
175.02560	2.8
179.03522	24.1
221.04472	3.3
232.48743	2.3
234.25317	2.7
251.05559	6.0
281.06729	7.0
341.08762	47.1
342.09171	6.3
404.12592	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	404.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.3
59.01380	21.6
61.98830	100.0
62.20019	1.2
63.29647	1.2
71.01377	12.3
71.24757	2.2
73.02944	1.2
76.38023	1.2
77.70372	1.0
85.02939	1.9
87.00907	1.8
88.98842	1.8
89.02435	10.5
101.02431	6.2
113.02445	4.5
115.00371	1.5
119.03487	4.1
119.49324	1.2
122.06078	1.4
129.44373	1.2
133.02982	4.2
134.03745	1.6
135.04526	15.7
149.06070	2.6
149.09720	3.2
161.02432	18.9
161.04547	1.5
162.02847	1.3
167.10771	4.5
175.02547	1.7
177.05618	6.2
179.03496	24.2
179.05318	1.2
179.05653	1.1
221.04578	12.3
222.30844	1.2
251.05658	12.2
252.05908	1.6
281.06671	24.4
297.26239	1.2
341.08759	24.0
342.09048	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23134	0.3
52.67753	0.3
59.01349	0.4
59.95716	0.3
61.53646	0.3
61.98829	100.0
68.94369	0.3
69.93319	1.5
70.62381	0.3
70.87012	0.3
75.14288	0.3
86.66549	0.4
111.34178	0.3
117.04074	0.3
120.36897	0.4
165.16965	0.3
177.02008	0.4
232.07118	0.3
341.08469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17482	0.3
50.40355	0.3
57.04384	0.3
58.88772	0.4
61.98832	100.0
71.51653	0.5
81.97433	0.4
196.52126	0.3
277.00027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	12.4
59.01375	14.3
60.29768	1.2
61.98828	11.8
67.89949	1.3
69.24863	11.1
70.02965	1.5
71.01373	6.9
72.00908	2.5
74.02473	26.2
76.36263	1.1
81.04578	1.4
82.02986	2.7
84.93959	1.1
85.02934	2.2
86.02480	11.5
86.99104	2.0
87.00881	1.3
87.05639	5.5
89.02455	7.4
90.00202	2.8
91.33569	1.1
97.04095	2.3
99.05642	20.2
101.02457	3.2
101.07203	3.0
102.05605	3.0
109.04076	1.6
110.06073	1.3
112.04092	2.1
113.02480	1.9
114.61036	1.5
119.03497	3.0
123.05698	1.6
123.18349	1.2
125.03515	3.3
127.05143	3.8
128.03537	52.7
131.04663	2.7
135.02968	1.4
135.05600	3.9
141.06706	5.9
143.04614	75.9
144.04967	2.0
145.06224	4.0
146.04579	6.8
153.06657	3.7
160.00739	21.1
165.71504	1.1
166.09863	2.5
167.04634	4.6
167.08264	3.0
177.03339	8.8
177.19905	1.6
179.04584	15.6
185.05664	3.2
197.05666	2.7
207.13791	1.7
210.08801	14.6
242.07747	2.2
254.07799	21.3
255.07997	1.7
272.08859	35.3
273.09253	2.2
287.14987	4.8
288.06506	11.8
306.07626	100.0
307.08005	6.1
387.20282	2.4
405.17169	2.9
405.21729	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.0
59.01379	100.0
61.98832	28.7
69.03467	1.4
71.01385	18.6
72.99308	1.3
73.02948	7.8
75.00878	1.5
83.01408	2.3
85.02950	7.8
87.00377	0.8
87.00914	3.1
89.02451	9.0
95.01404	1.8
99.00905	2.3
99.24632	0.9
101.02449	11.4
107.01493	1.0
109.06599	1.8
111.00905	1.0
113.02455	5.8
119.03534	3.3
121.02983	1.2
121.06641	2.6
123.00919	3.6
125.02448	5.0
128.03526	1.0
129.01974	1.1
131.03502	2.1
135.04503	5.5
139.00369	1.7
143.03511	1.0
145.06616	2.4
151.00439	1.7
151.04012	1.3
153.35304	0.9
159.03075	1.4
161.02475	4.4
161.04532	5.0
161.09755	1.6
163.07704	4.1
166.06386	7.4
169.01500	4.1
177.04121	2.2
177.05627	1.8
179.03514	8.2
179.10880	3.0
180.07988	1.7
181.08676	10.6
181.55688	0.8
221.04605	2.2
251.05748	3.7
272.08975	1.1
281.06738	4.4
306.07764	2.0
341.08823	5.9
369.75635	0.9
403.12512	8.1
403.16367	85.0
404.16531	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	403.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03237	0.5
57.03456	6.0
58.00600	0.7
59.01381	16.1
59.89518	0.5
61.98832	6.1
69.03463	2.7
70.92037	0.6
71.01384	15.4
71.05020	0.8
72.99277	1.0
73.02946	8.8
75.00870	0.7
83.01398	5.4
83.05044	1.0
85.02956	9.7
87.00866	0.6
89.02425	1.3
94.11679	0.6
95.01370	1.3
95.05012	1.1
97.06602	1.0
99.00858	3.1
101.02441	24.7
101.60207	0.6
105.23060	0.6
105.33521	0.6
109.06649	0.7
111.00886	1.2
111.08158	9.9
113.02463	6.1
125.02474	0.9
159.02914	1.5
161.04584	3.8
165.12843	77.2
166.13193	5.5
175.43655	0.8
181.12341	1.3
183.13899	100.0
184.14244	7.1
190.94666	0.6
191.10835	2.0
193.07170	31.7
194.07603	0.8
209.11853	9.0
227.12881	6.2
267.04617	0.6
273.00510	0.8
302.28271	0.6
327.43118	0.8
385.18494	1.4
403.19699	76.6
404.20068	8.6
424.84174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.8
61.98829	100.0
71.51655	0.6
78.95927	0.9
95.41069	0.5
96.95968	1.5
111.01971	0.8
121.02919	2.0
122.54955	0.6
134.89479	0.5
136.94000	1.0
151.72208	0.6
159.01393	0.7
175.27805	0.5
178.94958	1.5
180.94795	0.7
192.86545	0.6
201.02463	1.0
203.99866	2.2
218.00420	0.6
219.00089	1.6
219.97789	2.5
219.99855	0.6
222.13992	0.5
225.41841	0.6
243.97781	1.1
244.00191	0.7
259.95694	0.9
260.01553	1.0
261.01196	1.9
261.98785	5.0
262.01422	1.1
262.98990	1.4
263.03897	0.9
277.96832	3.5
277.99390	1.9
317.99673	1.2
319.00150	1.0
319.97623	9.9
320.00464	1.8
320.97760	1.3
343.97702	0.8
361.98489	10.0
362.98856	2.3
363.81024	0.7
385.99084	1.1
403.99753	41.8
405.00101	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	403.1396
Annotation	(+)-8-Hydroxy-alpha-conidendric acid methyl ester
Peak:m/z	Relative Intensity
57.32602	1.3
59.01368	4.6
61.98827	8.3
63.28310	1.0
64.69443	1.0
71.01363	2.0
71.52744	1.1
75.00868	1.4
93.03459	2.8
95.01386	1.2
108.02150	1.5
109.02945	4.2
119.05047	1.5
121.02972	1.2
123.00903	1.5
123.04546	2.6
124.01645	1.7
125.02419	1.9
134.03745	8.4
135.04518	1.2
135.64952	1.0
136.01642	4.1
137.02446	6.6
139.00362	3.3
145.02870	2.6
146.03732	10.6
147.04477	1.7
149.02396	3.7
149.06036	4.3
150.03175	1.4
151.03960	4.6
152.01152	2.6
153.01976	1.1
153.05606	1.6
160.01613	3.5
161.02440	10.2
161.06006	3.1
162.03148	2.7
163.00330	4.5
163.03922	1.5
164.01169	1.9
164.04771	7.3
165.01903	2.1
167.03488	1.7
174.03157	1.2
175.03941	3.8
177.01944	3.0
177.05566	2.1
178.02679	3.5
179.03452	2.8
179.07095	10.9
180.04343	1.5
181.05038	1.5
189.01915	1.5
190.02644	1.2
192.04250	1.3
193.01375	1.3
193.05022	4.0
194.02202	1.5
195.03001	2.1
195.06633	2.1
203.03471	1.3
204.04225	1.4
207.03008	8.0
219.06647	1.4
222.05267	3.8
225.07603	1.1
237.07809	5.1
241.05009	3.3
242.05641	1.3
251.03470	2.6
253.04953	2.0
266.05740	1.4
269.04556	8.5
270.05231	4.0
282.05240	1.6
283.06186	1.5
283.10669	1.1
284.06906	22.1
285.07538	7.7
286.08099	1.0
297.07614	2.7
298.04761	1.4
298.08154	1.4
299.09201	36.3
300.09756	9.1
301.10553	1.1
311.09265	1.1
312.10263	1.2
313.07095	6.4
313.10843	3.1
314.07870	1.3
314.11469	4.9
315.08746	1.9
315.12344	3.0
325.07065	2.3
327.08594	2.4
328.05978	1.2
328.09503	4.5
336.76871	1.2
340.09323	3.3
343.08044	6.1
343.11823	17.5
344.12177	2.3
355.07877	1.3
355.11740	1.4
358.10562	9.1
373.12878	100.0
374.13278	13.9
385.12601	1.8
388.11700	2.5
390.95560	1.1
403.09500	2.3
403.14267	15.5
404.14304	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
59.01379	100.0
60.01714	1.6
61.98831	7.1
69.86046	2.5
69.86446	1.1
71.01382	7.8
73.02956	3.1
74.02488	0.9
80.75639	0.7
83.01361	0.9
83.05035	2.2
85.02950	3.5
85.79833	0.6
89.02469	3.2
89.25224	0.7
95.01427	0.8
97.02925	0.9
98.20594	0.9
99.00880	1.0
101.02426	4.8
113.02448	3.5
113.69924	0.7
119.03560	0.7
121.02947	2.1
125.02457	0.7
128.03575	1.7
130.95921	0.8
133.03044	0.7
135.04536	1.0
143.03563	0.7
143.04649	1.4
153.09250	0.8
159.03059	0.8
161.02530	1.4
161.04568	7.8
166.06343	12.2
167.06839	0.9
179.03542	1.2
181.08710	15.6
192.99803	0.8
306.07736	3.1
341.08887	1.2
403.12021	1.1
403.16360	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17200	0.6
56.18983	0.7
57.80588	0.7
59.01379	30.7
61.98831	21.7
63.60979	0.6
65.69415	0.6
67.01904	0.7
69.80650	1.2
69.81059	2.5
71.01008	1.1
71.01382	16.3
72.99310	1.7
73.02938	0.9
75.00899	0.7
78.95900	1.4
83.01381	1.8
85.02972	4.2
87.00867	1.3
89.02441	15.9
93.03454	3.7
93.53608	0.6
95.01382	4.0
98.20561	0.9
99.00888	1.0
101.02445	13.7
109.02958	1.3
111.00870	3.4
113.02471	4.8
119.03491	6.5
121.02951	1.1
123.00880	14.3
124.01101	0.6
125.02437	1.9
127.00393	3.3
133.02937	2.0
135.04523	2.8
136.98802	1.2
137.02441	8.8
138.03220	7.1
139.00357	9.8
149.02411	0.9
151.00356	1.1
152.04781	1.8
153.05562	2.6
154.02675	1.2
161.02435	10.2
161.04514	1.5
165.01910	9.7
167.03448	1.4
177.01891	0.7
177.05534	0.8
179.03537	6.1
180.04292	5.9
187.78911	0.7
193.01410	25.0
194.01738	1.6
195.06537	1.7
201.31427	0.6
205.12207	0.7
207.03027	2.0
208.03766	44.8
209.04045	2.5
209.06004	0.7
223.06102	100.0
224.06435	8.4
241.07207	0.7
251.05566	0.7
281.06561	1.7
341.08722	6.6
403.07730	1.2
403.12064	10.8
403.16373	2.8
404.12408	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16224	0.4
59.01378	3.3
61.98588	0.4
61.98830	4.7
83.01414	0.5
98.19878	1.2
115.03989	2.3
119.05009	0.6
121.02960	0.9
133.02922	0.9
137.02441	1.1
147.04509	1.2
156.40639	0.6
158.03665	0.8
161.02396	2.3
173.06073	0.5
174.03172	0.6
175.04008	2.5
175.07607	0.7
176.01157	1.5
177.01944	4.4
177.04057	0.4
179.03564	0.6
183.04501	1.1
185.02362	0.4
187.04008	0.8
189.01923	5.9
190.02718	2.7
190.04140	0.4
191.03320	0.8
197.06023	0.5
199.04071	0.7
199.07487	0.6
200.04791	0.6
201.01865	0.7
201.05568	1.1
202.02705	1.2
203.03494	9.0
203.07118	0.7
204.04243	6.6
205.01425	1.7
211.03964	1.6
212.04750	0.8
213.01810	0.6
213.05518	0.8
214.02739	1.4
215.03470	1.2
216.04243	0.6
217.01364	1.0
218.02228	0.4
219.06595	1.3
225.05522	1.7
226.06241	0.7
227.03506	7.7
228.04205	2.7
229.01505	1.0
229.05016	5.6
230.02238	1.7
231.06525	0.4
238.06296	0.5
239.03282	0.5
239.07086	0.8
240.04196	0.5
241.04999	1.8
242.02132	1.3
242.05952	2.0
243.02823	0.9
243.06544	1.2
244.03534	0.7
247.06137	4.6
253.04991	1.1
253.08678	1.4
254.05774	0.5
255.02962	3.3
255.06590	1.2
255.10223	1.4
256.03717	2.6
256.07278	0.6
257.04483	1.3
257.08209	1.4
258.01495	0.5
262.04858	1.5
265.05002	0.6
267.06424	0.5
269.04483	2.7
269.08011	0.5
270.05240	3.0
271.02823	0.9
271.06384	2.4
271.09610	3.5
275.05566	0.8
280.03864	0.6
281.04654	0.7
281.08176	2.0
283.06201	0.7
283.09702	1.4
284.07034	0.8
285.04044	2.8
285.07648	1.2
287.05603	9.0
288.06192	0.7
297.04437	0.5
297.07669	1.4
298.04889	0.6
298.08011	0.5
299.05637	1.2
299.09201	16.9
299.12643	0.8
300.06244	0.7
300.09583	1.4
303.05084	0.6
309.07635	1.0
325.07208	1.1
327.08713	28.0
328.08975	2.7
331.08264	0.7
331.11792	4.1
341.10272	0.6
343.08185	5.9
343.11847	0.9
353.06555	0.6
357.09668	0.8
359.11298	3.4
360.11804	0.5
371.07742	5.3
373.12762	0.9
375.10757	6.4
376.11111	1.0
403.10294	100.0
404.10617	10.6
410.89304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39438	0.6
57.03438	0.9
57.90814	0.7
59.01381	13.8
61.98840	5.1
67.57096	0.6
71.01381	6.9
71.53567	1.1
73.02929	2.2
81.03470	0.6
83.05010	0.8
85.02949	2.9
89.02465	5.5
90.85529	0.6
93.03448	2.0
94.56132	0.7
95.01392	1.2
97.06587	0.7
97.98000	0.6
99.00897	1.2
101.02438	5.3
107.05062	0.9
113.02464	5.1
119.03524	0.7
119.05014	2.6
121.02953	15.0
123.00892	0.7
123.04505	1.0
131.03543	1.0
132.02190	1.8
133.02861	0.9
136.80835	0.8
137.02448	1.2
144.02155	2.7
147.00850	1.4
148.01665	1.0
149.02440	3.3
149.04575	1.6
150.03246	1.5
160.01674	3.6
161.02434	1.7
161.04541	0.9
164.01132	1.1
165.01901	0.8
166.80736	0.8
167.10811	1.9
172.01663	6.9
176.01112	1.9
177.01941	13.0
177.12834	8.4
178.02708	11.7
179.03494	2.0
180.03763	0.7
183.13840	1.0
184.01735	1.3
188.01189	2.4
189.01958	1.0
191.03575	0.9
191.14369	1.0
192.00713	0.8
192.04288	12.9
193.05026	9.6
195.13898	95.9
196.14200	5.9
200.01158	6.0
203.10818	1.7
204.00620	2.1
209.08214	3.0
214.99876	1.3
216.00627	10.5
217.01398	1.1
219.13916	1.9
221.11803	2.7
227.03343	0.9
228.00636	1.9
239.12880	100.0
240.13168	6.2
244.00092	6.5
245.00871	1.3
263.12900	5.6
269.04501	0.8
271.99625	16.7
273.00134	2.1
281.06717	1.3
281.13885	2.9
283.06165	1.1
286.01239	1.4
297.07739	1.7
297.97693	1.3
299.99109	43.7
300.99374	4.5
307.06174	1.2
312.06354	1.6
313.07184	7.6
325.07089	1.7
327.21930	1.5
332.01706	30.6
333.01981	2.2
341.06659	1.7
357.06070	1.0
357.09967	1.6
369.06079	14.4
370.06738	1.0
401.08591	15.3
401.17905	1.4
401.26984	1.9
402.08975	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	402.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44481	52.6
61.98815	82.1
71.52362	100.0
72.34077	59.6
92.09213	56.9
111.73226	56.2
115.78552	56.2
129.67284	67.8
140.71147	60.1
241.34499	59.5
310.06686	68.7
407.83170	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01879	7.1
57.03445	6.9
59.01378	51.5
60.21835	1.9
69.03452	2.9
69.37009	14.5
71.01380	100.0
72.34973	1.9
72.99328	2.9
73.02943	45.6
75.00884	7.0
77.60906	1.7
82.63792	1.9
83.01379	20.3
85.02951	48.7
87.00880	9.2
89.02441	21.6
93.03505	2.4
95.01369	9.9
97.02971	5.8
99.00879	24.6
99.04547	2.7
101.02439	73.9
105.01958	7.5
111.00869	3.0
113.02441	33.3
115.04044	5.2
121.03008	5.5
125.02470	7.2
129.01952	10.3
131.03561	4.9
135.04602	2.0
143.03517	4.9
147.03003	3.5
149.02432	15.5
149.04439	2.2
159.03011	10.0
161.04553	57.2
162.05014	1.9
164.04788	10.2
177.04036	19.1
178.04346	2.0
184.47273	1.8
195.04999	8.8
205.05109	2.5
223.06168	12.3
233.06691	9.0
269.10287	94.4
270.10733	8.4
293.08893	2.9
401.10754	6.4
401.14676	90.4
402.15085	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	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98803	1.5
68.53247	1.4
69.49123	7.3
71.01383	18.1
73.02950	4.7
80.99147	1.5
83.01389	3.1
85.02954	7.1
89.02451	5.6
95.34530	1.1
98.19903	2.8
99.00908	1.8
101.02435	10.0
113.02446	6.7
119.03512	2.2
119.12812	1.5
121.02978	10.5
137.63506	1.8
151.00366	2.4
161.02478	1.5
161.04532	7.1
163.00343	2.8
176.01154	6.4
177.01859	1.6
181.05060	1.3
181.06602	2.3
191.03448	2.1
202.02766	2.1
208.00281	1.4
221.15015	1.3
227.03535	2.5
232.00069	1.7
235.06067	1.3
269.04694	1.9
269.08121	2.3
274.67975	1.4
285.03961	2.9
297.07727	7.9
298.08295	2.2
313.07205	3.3
315.18237	6.4
325.06992	6.3
326.97858	1.5
329.10239	1.8
357.09909	3.6
373.09097	1.8
401.08698	24.4
401.21948	7.6
401.26968	2.0
402.09103	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	401.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98840	2.6
71.01381	19.6
73.02949	3.1
73.45687	1.3
78.76665	1.4
83.01400	3.4
85.02941	5.7
89.02482	3.6
95.01397	3.1
99.00876	2.5
101.02428	9.7
113.02441	5.1
119.03481	2.0
121.02944	12.5
128.18900	1.3
161.04550	7.2
176.01126	11.7
177.01855	1.5
181.06445	1.6
190.02663	1.9
191.03525	4.9
202.02722	2.1
204.00685	1.8
209.04576	2.1
227.03305	2.2
254.05801	2.0
255.02777	1.7
297.07678	4.2
313.07233	3.0
313.10715	1.6
315.18109	7.0
325.07159	4.9
357.09735	4.8
373.08826	1.8
401.08719	20.1
401.21960	5.2
401.26984	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	401.1815
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
50.40051	0.6
55.01870	2.0
57.03443	4.0
58.00591	0.7
59.01380	29.6
60.70704	0.6
71.01373	23.2
72.99304	1.1
73.02938	6.1
79.29971	0.5
83.01382	4.8
85.02946	10.4
87.00871	1.4
89.02441	9.5
95.01378	2.4
98.75902	0.6
99.00858	2.1
101.02445	15.9
109.03014	0.6
113.02436	6.0
119.03481	3.2
121.02949	5.1
123.08176	3.1
125.02422	0.5
133.52242	0.6
135.04494	0.7
141.21826	0.6
151.11255	0.7
161.04539	2.1
177.12834	4.5
190.46040	0.6
195.13872	2.9
221.11838	2.6
269.15771	0.6
326.61459	0.6
343.15536	0.5
401.18130	100.0
402.13467	1.0
402.18475	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	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69808	0.6
59.01377	8.4
61.98831	4.3
71.01386	4.8
71.53455	1.1
72.99311	0.6
73.02945	1.4
75.82655	0.7
82.43383	0.6
83.04991	0.8
85.02961	2.4
89.02458	2.5
93.00900	0.6
95.01434	0.6
97.06641	0.8
99.96691	0.6
101.02449	2.4
108.02180	2.8
113.02451	4.0
119.03513	0.7
119.59476	0.6
121.02966	1.1
131.01283	0.7
139.03993	1.0
145.08701	0.7
149.02451	0.6
150.03235	1.3
153.01965	0.8
153.12799	1.2
161.04575	0.8
169.01471	0.8
177.12846	8.0
195.13892	100.0
196.14211	6.1
197.11760	0.8
203.10800	1.7
208.99509	0.6
211.06157	1.3
211.13422	0.6
219.13829	1.4
221.11792	2.8
237.00342	0.7
239.12872	96.8
240.13219	7.2
263.12842	3.4
281.14099	3.4
281.24014	0.6
299.99036	0.9
327.21841	1.7
357.05923	0.7
369.06204	0.8
387.10745	0.8
401.08807	2.1
401.17590	1.0
421.42197	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01716	0.9
61.98830	1.2
69.68760	4.0
71.01385	1.8
72.99310	0.8
85.02986	0.9
89.02459	1.3
94.98367	0.8
95.01370	0.8
98.45822	0.8
101.02409	1.0
108.02235	0.8
109.02977	0.8
111.00925	0.9
121.76900	0.6
125.02409	0.9
138.45406	0.7
146.03728	20.5
146.04875	1.0
147.04193	1.2
149.02461	0.8
152.01140	0.8
161.06067	7.1
164.04781	15.9
169.01521	0.8
177.01964	3.1
179.07127	61.9
180.07501	3.2
195.05095	0.8
223.06334	1.1
289.07281	1.1
401.11066	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	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21016	0.6
53.95418	0.7
59.01380	30.9
61.98826	3.0
66.03845	0.6
71.01379	5.5
72.91074	0.6
73.02956	0.8
75.00875	1.7
79.28323	0.6
85.02945	1.9
87.00876	0.7
89.02437	3.5
91.05511	0.7
93.03461	0.8
95.01370	3.5
97.02947	0.8
98.20636	1.9
99.00910	0.9
101.02442	3.3
108.02149	1.0
109.02932	1.2
110.13863	0.7
111.00909	1.1
113.02460	2.2
119.03496	1.1
121.02960	5.3
123.00889	40.3
123.04482	0.9
124.01206	1.2
125.02428	1.4
129.01912	1.3
135.04573	0.9
137.02452	1.3
138.03229	51.7
139.00343	0.8
139.03543	1.6
146.03755	5.2
149.02414	2.6
153.01875	1.0
153.05583	21.8
154.05898	0.9
161.04619	1.1
161.06033	2.3
164.04788	4.4
165.01949	1.2
166.99847	14.0
169.01381	1.6
173.02469	0.9
177.01846	0.9
179.05655	0.7
179.07126	13.7
180.07471	1.1
181.01381	1.1
182.02214	46.8
182.33214	0.6
183.02600	2.6
191.05615	1.3
195.05028	1.1
195.37155	0.7
197.04549	100.0
198.04884	6.0
202.57513	0.7
216.18565	0.8
223.06078	1.9
239.05608	1.7
245.31429	0.7
272.21005	0.7
275.01889	0.9
301.00018	1.2
341.10660	0.8
343.14252	0.9
401.10986	4.0
401.18033	0.9
402.11316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.4
56.37558	1.4
57.03445	8.3
59.01114	1.6
59.01379	21.2
68.99800	2.1
69.52396	4.6
69.52813	3.7
71.01376	24.4
72.99295	2.9
73.02929	2.7
75.00473	1.9
75.00872	28.7
75.94472	1.1
82.45384	1.1
83.01376	3.4
84.02143	2.9
85.02946	17.0
87.00424	1.4
87.00874	19.0
89.02438	6.8
93.03379	1.1
95.28629	1.2
97.02930	2.3
98.09528	1.0
98.19895	2.2
99.00884	9.9
101.02415	5.5
111.00863	1.6
113.02421	2.7
121.02962	6.7
129.01091	1.5
129.01939	20.9
137.02400	3.4
141.01872	1.7
147.04379	2.5
149.01320	2.4
149.02441	38.9
150.02736	2.2
159.02940	4.0
161.02437	1.2
161.04543	2.6
163.03983	2.2
164.04794	29.0
165.01932	1.8
177.04034	100.0
178.04337	2.5
179.07091	2.7
190.02654	1.7
195.03333	3.1
195.05098	55.2
196.05415	2.0
205.04944	4.3
206.05693	1.8
208.03696	1.5
214.16983	1.2
221.08159	2.7
223.06113	37.0
224.06355	1.8
265.07031	3.5
269.10284	3.6
325.09006	1.9
383.09689	2.8
401.10675	47.8
402.10941	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	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91111	2.1
57.27493	2.0
59.01376	19.8
67.01867	1.8
68.99805	3.9
70.89194	3.8
71.01378	9.8
73.02946	6.6
78.59214	2.2
85.02955	8.4
86.49508	2.0
87.00877	52.0
89.02461	4.7
90.02085	2.0
101.02473	5.7
109.02961	4.9
111.00835	2.0
113.02438	4.4
119.03540	3.0
123.00887	9.9
125.02438	5.6
135.04483	2.3
138.03226	3.7
146.03738	2.3
149.02420	7.8
151.00317	5.6
151.04007	4.1
152.01115	2.1
153.05521	5.2
159.04488	1.9
161.02473	10.5
161.05981	2.4
163.04005	19.9
164.04803	14.8
165.05524	5.8
166.02711	6.6
169.01361	2.9
171.62610	1.9
176.04813	11.9
177.01910	3.0
178.06291	19.3
179.03513	10.5
179.05582	2.5
179.07117	38.9
181.05086	10.2
182.02278	2.6
187.04147	2.6
189.05553	2.6
190.02660	2.7
191.03500	24.7
191.07126	7.4
192.04202	2.9
193.05023	9.8
193.08585	4.6
194.05746	10.5
197.04529	7.3
202.06346	2.6
203.03499	7.4
204.04251	3.5
205.05058	8.5
206.05859	6.7
207.02974	5.1
207.06622	3.6
209.08130	12.4
218.05817	3.2
219.03024	5.4
221.04556	6.5
221.08183	8.5
221.47365	2.1
222.05299	3.2
229.01299	2.6
234.05359	3.4
235.03059	2.0
235.05887	2.9
236.06891	2.7
237.07610	4.1
247.02489	8.1
247.06139	4.1
248.02919	3.1
249.07668	6.7
250.04881	3.1
251.09276	4.4
262.04865	9.0
265.07153	58.6
265.09894	4.2
266.07343	3.3
275.54651	2.0
277.07150	30.1
278.07401	2.1
279.08484	2.2
295.08234	78.7
296.08578	6.1
300.99942	3.9
325.09396	5.0
333.38391	2.1
336.03891	2.1
337.09070	2.6
341.10645	5.5
355.10266	22.0
356.10529	4.6
383.09900	7.0
392.03360	3.6
400.54028	2.1
401.10895	100.0
402.11279	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	401.0877
Annotation	7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.97136	1.0
57.03440	0.9
59.01379	7.0
59.64456	0.9
65.00301	1.1
69.99137	1.3
69.99469	3.9
71.01385	3.2
73.02944	1.6
83.01411	0.9
85.02957	1.3
87.58300	1.0
89.02431	1.8
91.01856	1.3
91.41526	0.8
93.03474	3.1
95.05035	7.3
101.02451	2.5
105.03421	1.1
108.02213	1.5
109.02951	2.0
113.02421	2.1
117.03426	3.3
119.01439	1.1
119.05000	1.4
121.02955	12.9
122.49046	1.1
124.01579	1.7
127.05175	1.0
127.07645	2.5
129.01918	1.2
129.03590	1.0
133.02962	2.2
137.02420	4.6
139.11293	1.2
145.02959	4.4
146.03729	2.0
147.00890	2.1
147.04536	2.6
148.01672	2.3
149.02426	2.4
161.02457	5.0
161.04529	2.1
162.03149	1.1
163.00365	8.4
163.04044	1.1
164.01152	3.0
165.01831	3.0
166.98502	1.1
171.04431	1.1
173.02426	12.8
174.03218	9.2
175.00327	2.2
176.01147	22.9
177.01971	5.5
178.99779	2.4
185.02396	4.6
189.01939	8.5
190.02760	10.9
190.99783	2.4
191.03401	2.1
195.04486	1.6
201.01936	10.7
202.02710	44.2
202.99818	2.2
203.03192	4.2
204.00595	5.5
205.01379	1.5
206.02255	1.7
206.99324	3.3
208.00153	17.2
209.00758	1.9
209.06055	1.1
213.05627	1.2
215.03542	2.7
215.07011	1.1
216.00537	1.3
217.01437	6.9
218.02252	1.1
218.99341	3.1
220.00015	1.7
221.00871	2.1
223.03995	1.4
223.07811	1.2
224.04747	1.2
225.05544	2.5
225.09126	2.1
227.03549	4.8
227.07159	1.4
229.01463	10.0
230.02202	25.8
231.02498	1.5
232.00163	8.0
233.00874	4.1
233.97954	1.9
237.05579	1.2
238.06168	1.2
239.03636	1.6
239.07137	1.8
240.04248	2.4
241.05052	6.8
242.02220	1.1
243.02911	1.6
245.00894	16.2
246.01581	2.8
246.98843	6.6
247.99559	7.9
253.05074	2.7
253.08736	1.7
254.05788	3.8
255.02966	2.7
255.06601	7.4
257.04468	2.4
259.99677	3.9
261.00351	7.0
268.03711	2.2
269.04630	3.3
269.08197	6.4
270.05109	1.2
270.08737	2.6
271.06125	1.7
273.00409	6.0
274.01181	17.9
275.01700	2.4
281.04633	5.7
281.07794	1.1
282.05350	5.3
285.04059	4.1
286.04568	1.5
293.94617	1.0
295.06241	1.1
297.07666	22.1
298.08392	12.5
299.05566	3.5
299.08719	1.5
301.10681	1.2
313.07162	5.9
314.07901	1.4
325.07178	10.1
329.10233	11.3
341.06723	2.5
341.10547	1.5
357.05917	1.5
357.09729	7.5
358.09808	1.4
369.06119	2.6
373.09280	31.5
373.29498	2.9
374.09537	2.7
401.08743	100.0
401.21881	4.7
401.26425	1.7
402.09143	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	401.0874
Annotation	5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone 2'-acetate
Peak:m/z	Relative Intensity
51.11221	0.6
51.87276	0.6
59.01374	2.8
59.16427	0.7
65.14873	0.5
69.88748	0.5
71.01363	1.1
88.13520	0.5
89.02431	0.7
93.66044	0.5
97.06598	0.8
98.19868	1.8
101.02403	0.6
121.02958	14.5
146.58842	0.6
161.94472	0.6
174.14760	0.8
177.01842	0.9
181.06599	1.0
182.87698	0.6
189.01921	0.8
190.02737	1.7
200.01151	0.9
202.02730	1.2
215.03453	1.4
216.04219	1.6
218.02122	1.5
225.05502	1.4
226.02698	1.0
227.03447	1.5
228.00626	1.6
228.04225	0.7
229.01341	0.7
230.02106	2.0
230.41261	0.8
240.04250	1.1
242.02191	1.8
243.02962	4.5
244.03540	1.7
245.00897	0.8
251.03242	0.7
254.02217	1.8
255.02750	0.9
256.03577	1.4
257.00870	1.2
258.01678	2.0
259.02411	2.2
267.02979	1.8
267.10019	0.6
268.03693	1.9
269.04373	1.4
270.01724	1.4
271.02444	2.6
272.03186	1.3
273.00354	4.7
273.11362	1.0
274.01175	25.3
275.01578	1.7
282.01584	0.8
283.02368	1.8
283.09775	1.1
285.11307	2.2
296.03174	1.0
297.04086	1.1
299.01956	11.5
299.99240	1.2
300.02692	11.7
301.03284	1.2
301.10873	1.2
311.09183	5.6
313.03632	1.2
313.07205	3.6
313.10684	1.2
314.04315	5.8
315.05078	0.9
329.10266	1.3
339.08661	8.5
340.09427	2.9
357.09769	100.0
358.06119	1.0
358.10153	10.6
359.22101	1.4
401.08728	52.0
401.22656	4.2
401.27219	1.9
402.09192	6.0
421.95929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86328	1.5
57.03427	1.7
57.36779	1.6
59.01375	30.8
59.92452	1.8
61.98828	43.3
71.01376	13.0
71.51779	1.9
72.09226	1.7
72.99297	1.7
73.02911	3.3
75.00867	2.5
75.49361	1.6
81.03433	2.6
83.01337	2.4
85.02940	8.4
87.00868	2.3
89.02448	11.1
94.16487	2.2
95.01373	4.0
99.00853	2.9
101.02434	8.1
108.02172	100.0
109.02959	51.9
111.00880	5.0
113.02408	5.3
119.03471	3.1
121.02950	6.6
123.00879	5.3
123.04488	2.5
125.02410	7.7
129.01936	2.1
133.02979	2.1
135.04556	11.3
137.02383	2.0
138.03175	2.0
139.00352	2.8
146.03688	4.0
149.02402	4.9
151.03979	3.4
152.01143	70.9
153.01941	29.1
161.02414	2.8
161.04530	2.1
163.03984	2.6
163.55420	2.0
164.04782	5.3
165.01854	3.8
169.01431	6.1
170.33241	1.8
177.01935	3.8
177.03989	3.0
179.03462	10.5
179.05624	3.5
179.07024	10.3
182.02129	2.3
189.05516	3.8
191.05614	4.3
195.03017	3.4
197.04575	5.1
217.01312	3.3
223.06052	6.4
245.00923	3.0
246.01518	2.9
251.33524	1.9
275.02060	2.0
300.99762	3.0
302.00070	4.1
315.07217	3.5
341.10901	5.8
357.08237	82.6
358.08444	5.1
369.80368	1.9
401.10971	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74398	0.8
54.88983	0.7
55.01874	1.3
57.03436	2.0
58.00608	2.0
59.01380	47.0
65.37567	0.7
69.37827	5.3
71.01008	1.5
71.01385	25.3
72.99300	2.1
73.02942	1.2
75.00867	4.9
81.03389	0.9
83.05023	5.4
84.32175	0.8
85.02955	5.9
87.00874	1.3
89.02444	24.2
90.02744	0.7
91.05532	1.0
93.03462	1.3
93.07066	3.8
95.01385	1.6
97.02979	0.9
101.01790	1.3
101.02439	11.8
103.00333	1.0
105.70793	0.8
109.02985	4.9
113.02449	8.2
117.03487	1.5
119.03506	5.9
119.05006	3.7
121.02942	1.1
123.08124	0.9
125.02418	2.6
133.02971	9.7
133.10245	4.4
134.03777	0.9
135.00908	1.9
135.02948	1.3
135.04530	2.2
137.02454	1.1
145.02957	6.8
145.06598	5.8
153.01933	4.7
157.10176	2.9
158.07317	1.1
159.08141	5.0
160.08937	47.4
161.02443	31.6
161.04498	1.3
161.09254	3.0
162.02747	2.6
163.03992	2.4
165.04034	8.9
169.01401	1.9
173.09712	9.3
175.11276	79.7
176.11633	5.7
205.03488	0.8
219.10257	100.0
220.10596	9.6
237.06180	1.8
279.79163	0.8
315.07019	1.3
379.13568	0.8
396.55826	0.8
399.12585	12.5
399.16602	30.0
400.12747	1.7
400.16949	2.4
413.79245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10673	0.5
59.01371	3.4
61.98830	100.0
65.40430	0.6
66.42657	0.5
69.45850	4.0
71.01374	2.6
73.02951	1.0
75.00878	2.3
81.18019	0.5
84.18665	0.6
85.02967	2.2
87.00903	1.3
89.02458	1.0
99.00877	2.5
101.02458	1.8
108.02167	5.1
109.02945	5.7
111.00865	0.7
113.02444	0.7
115.00385	2.1
119.03555	0.9
123.00901	0.9
125.02452	1.1
127.52255	0.5
129.01971	0.9
133.02951	0.8
135.04555	0.8
137.02464	1.1
139.00377	1.5
149.02483	1.5
149.06149	0.8
152.01183	4.5
153.01952	2.9
159.02957	0.6
161.02429	3.3
161.04492	0.6
162.02911	1.0
163.00392	1.2
163.04037	0.7
164.04807	1.0
165.02055	0.7
165.09177	0.5
169.01514	1.4
175.02550	0.8
175.03960	0.9
177.01932	3.1
177.04102	2.8
177.05568	0.7
178.82326	0.5
195.05145	1.7
203.10858	1.1
217.03705	0.7
221.11967	1.2
222.45149	0.5
223.06213	1.5
233.04660	1.8
237.06329	0.8
261.00488	0.6
275.02051	1.6
277.03528	7.1
293.06857	0.6
300.99933	2.2
319.04556	2.5
337.05594	2.8
400.05298	1.6
401.10831	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	399.1294
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
51.05867	0.6
54.79971	0.6
55.01878	0.8
57.03442	1.2
58.00596	1.0
59.01138	0.9
59.01383	7.2
60.58530	0.7
62.22110	0.6
69.17286	1.2
69.17699	4.8
71.01374	8.0
73.02952	2.8
83.01383	1.2
83.05047	0.8
85.02937	3.9
87.00873	1.1
89.02441	2.2
96.96014	5.4
98.19851	1.4
99.00891	1.3
101.02435	6.8
101.09574	0.6
105.03481	1.1
113.02435	2.5
119.03530	0.8
119.05048	0.8
125.02446	0.7
129.01994	0.7
132.02171	16.4
133.02977	7.8
134.03731	13.7
135.04460	0.9
137.02434	2.3
143.03506	0.7
149.06088	2.8
160.01653	78.6
160.08960	4.0
161.02432	17.2
161.04475	1.1
162.02972	0.9
171.10263	1.1
175.03993	100.0
175.11279	6.6
176.04335	6.8
178.02791	0.9
179.03461	2.6
191.05478	0.8
193.03343	1.2
193.05046	18.6
194.05359	1.2
219.10240	8.3
220.51854	0.8
260.86575	0.7
263.67255	0.6
299.99033	1.5
300.99823	1.5
343.10443	0.8
384.10638	1.6
399.12851	72.5
400.13312	8.5
407.47183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72274	1.3
51.12999	1.2
51.67149	1.4
53.39837	1.2
55.01873	1.8
57.03423	1.8
58.00583	1.8
59.01378	62.9
71.01382	31.3
71.51922	2.0
73.02956	1.8
75.00839	1.8
83.01375	2.7
83.05025	4.8
85.02941	10.6
87.00883	1.7
89.02438	28.2
91.05530	2.2
91.98231	1.2
92.28266	1.3
93.03438	2.4
95.01391	3.6
96.96022	6.9
99.00883	1.6
101.02430	16.5
109.63755	1.4
111.00905	1.6
113.02452	13.6
119.03503	8.3
119.04984	3.6
121.02924	2.3
122.03722	2.4
125.02417	2.6
132.02132	3.5
133.02983	10.3
133.10214	5.7
134.03722	2.0
135.03006	2.0
135.04520	2.8
137.02475	2.3
145.06557	5.7
147.04483	1.5
152.99529	1.8
157.10176	2.8
159.08131	3.4
160.01642	13.6
160.08943	50.0
161.02426	30.4
161.04500	2.6
161.09276	3.4
169.01436	3.2
171.10257	5.8
173.09721	7.0
175.04005	18.7
175.11270	85.1
176.11656	6.8
179.05658	1.8
193.05103	3.5
219.10251	100.0
220.10565	5.7
251.11194	1.5
255.32501	1.4
281.50381	1.6
300.99997	1.7
399.12628	22.9
399.16583	49.1
400.12582	2.1
400.16946	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	399.1294
Annotation	Dracunculifoside E
Peak:m/z	Relative Intensity
55.01893	0.3
57.03444	0.5
59.01379	3.2
62.18069	0.3
63.44946	0.3
69.17980	1.6
69.18415	1.7
71.01382	4.2
72.21216	0.3
72.99329	0.6
73.02948	1.4
75.00869	1.3
83.01379	0.7
83.70851	0.3
85.02955	2.1
87.00893	0.7
89.02437	0.6
93.03465	0.4
94.31997	0.5
99.00870	0.8
101.02433	2.8
105.03460	0.5
109.02896	0.4
111.00885	0.4
113.02473	1.6
115.00381	0.7
117.03457	1.2
123.04543	0.6
125.02443	1.3
132.02167	1.6
133.02960	30.8
134.03362	1.1
135.02956	0.5
135.04529	6.6
137.02438	0.6
147.03119	0.3
159.02966	0.3
161.02448	100.0
162.02789	4.8
165.04066	3.4
169.01472	1.5
175.11209	0.4
179.03464	3.1
219.10191	0.6
237.06140	0.5
303.05548	0.4
399.12927	59.8
400.13223	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	399.0718
Annotation	Paeciloquinone B
Peak:m/z	Relative Intensity
52.79385	0.4
59.01363	0.5
69.18373	0.4
71.29639	0.7
77.20152	0.4
82.15846	0.4
92.43813	0.4
101.65821	0.4
105.00340	0.4
149.02469	0.4
174.03142	0.7
177.01924	1.3
187.04146	0.4
189.01936	1.0
190.02718	2.3
193.01419	3.2
198.03134	0.6
199.04044	0.6
200.01022	1.0
201.01910	0.8
202.02684	1.8
203.03394	0.8
205.01393	0.8
211.04143	0.5
214.02724	0.8
216.04346	0.6
217.01425	0.5
218.02249	2.4
221.00908	4.6
227.03471	1.8
228.00636	1.5
228.04187	0.7
229.01376	1.3
230.02151	1.1
230.62918	0.5
231.02885	0.7
237.05534	0.6
239.03471	0.7
240.04178	0.6
241.04953	0.5
242.02158	1.9
243.02948	1.3
245.00888	1.8
246.01726	0.7
251.03362	0.6
253.05089	1.2
253.08722	1.0
254.02087	0.7
255.02994	1.0
255.99904	0.5
256.03622	0.7
257.00839	2.1
258.01721	2.5
259.02328	1.4
263.03308	0.7
265.08746	0.8
266.02353	0.6
267.03021	0.6
267.06509	0.7
269.04507	0.6
270.01614	0.7
271.02457	1.8
271.09775	0.5
273.00385	2.0
274.01181	26.6
275.01489	1.9
279.02951	1.8
280.03552	1.3
281.04572	1.8
281.07944	1.1
282.01779	0.7
282.05145	0.7
283.02515	2.6
283.09793	1.2
284.03159	2.1
285.00391	0.9
287.01984	2.3
288.02502	0.7
293.04584	1.0
294.05176	0.6
297.04022	0.9
299.01904	4.6
299.09183	0.6
300.02682	1.5
305.04587	0.5
308.03281	1.7
309.04050	1.1
309.07706	3.4
311.09564	0.6
312.02728	2.5
323.05603	1.1
325.03464	2.5
326.04218	1.0
327.08575	1.0
337.07190	4.5
338.07761	1.6
340.06064	0.8
355.08209	100.0
356.08551	11.7
399.07208	9.6
400.07425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
57.03443	5.0
59.01373	13.0
61.98816	4.9
64.45075	0.9
67.01873	0.9
69.28197	8.5
69.28510	0.8
71.01376	9.6
72.99322	2.4
73.02937	1.5
74.22076	1.0
75.00869	61.2
83.01379	3.8
83.63476	1.1
83.88017	1.0
85.02948	28.2
87.00869	1.8
89.02445	5.0
93.03426	1.0
95.01353	1.5
97.02963	1.0
99.00887	1.8
100.96416	1.0
101.02448	7.3
103.02998	1.0
103.84073	0.9
107.01388	2.4
111.00856	7.3
113.02462	3.8
117.01939	1.9
117.03493	0.9
119.03478	1.3
119.05021	1.5
121.02881	1.1
123.00898	1.2
125.02457	6.7
126.02866	0.9
129.01921	9.4
132.02121	1.5
133.02951	27.0
134.03773	5.4
135.03020	1.2
135.04520	7.5
137.02444	3.1
139.00354	1.6
145.03012	1.3
147.04524	1.1
149.06058	1.0
161.02437	100.0
162.02888	5.7
163.00333	1.6
166.06297	1.1
169.01404	7.6
177.05542	2.7
178.02686	1.5
179.03571	5.4
191.03560	1.4
191.05588	2.3
193.01379	1.5
193.04997	5.3
195.06537	4.8
201.01999	1.0
203.03580	1.9
205.03528	3.6
217.01364	1.7
219.02893	1.3
223.04489	1.1
229.01382	1.5
237.06139	90.0
238.06494	3.5
245.00882	1.1
247.02541	1.9
257.42529	1.1
275.01852	3.0
281.06775	1.1
287.02951	1.7
300.99829	4.1
301.02936	1.7
318.58038	1.1
323.07791	2.6
349.03973	1.1
363.03452	1.3
399.04205	2.3
399.09293	44.9
400.09668	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67041	0.3
55.50705	0.3
57.03475	0.3
58.00596	1.8
59.01370	0.4
60.99287	0.3
61.05727	0.3
65.35522	0.3
69.19168	3.4
71.01383	0.3
73.02945	0.5
78.61069	0.3
83.05040	1.7
97.06599	0.6
121.98682	0.3
123.08191	0.5
130.92145	0.3
135.08150	0.4
137.09677	0.5
138.06827	0.3
187.14928	0.7
189.12885	0.6
205.15961	10.5
206.16299	0.8
207.04132	0.3
214.99557	0.3
227.64279	0.3
306.19943	1.4
307.20633	2.4
307.24283	1.2
319.24188	0.5
321.22211	6.6
322.22754	0.8
323.23706	1.1
335.20096	0.7
335.23761	4.9
336.24136	0.6
337.25311	3.9
338.25775	0.7
339.23511	0.5
347.23560	0.4
349.25339	3.0
353.20996	0.6
353.24908	0.9
355.22110	0.6
355.26385	12.0
356.26627	1.4
363.23105	0.4
363.26837	1.5
365.28448	7.2
366.28860	1.2
369.24326	0.5
371.22153	0.7
375.27002	0.6
377.28525	2.1
378.28873	0.4
379.30032	34.1
380.30383	5.5
387.25412	1.6
393.28101	0.5
395.29495	12.5
396.29800	1.7
397.31073	100.0
398.31400	15.5
399.25311	2.9
400.25632	0.4
409.27213	0.3
411.29306	0.4
415.32318	1.5
423.28928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.2
60.56535	1.8
61.98835	3.6
70.37774	8.0
71.01382	6.2
71.05006	2.5
72.99305	36.3
73.02944	2.2
81.03448	5.2
83.01400	3.0
83.04577	3.6
83.05027	46.1
85.02952	4.0
85.65463	2.1
86.05883	1.9
91.56408	1.9
92.57980	1.9
93.03463	7.2
97.02969	2.2
98.85612	2.1
98.95593	2.7
99.00887	2.3
99.92570	8.5
100.93372	2.3
101.02466	5.9
109.02953	5.0
111.04520	31.8
115.00369	2.4
115.04006	22.0
115.13790	2.3
115.92094	17.1
116.92898	2.5
117.03466	3.4
119.05010	5.7
122.96487	1.9
125.02420	4.3
127.04008	87.1
129.05565	7.6
134.03719	6.2
135.03047	3.6
135.04512	5.7
137.02448	10.6
145.02975	10.6
147.04494	3.5
149.06102	11.6
155.03505	66.6
156.03888	3.2
157.08731	5.4
161.02448	5.2
161.06094	2.6
163.03986	6.4
164.01141	8.8
165.01930	12.4
169.01369	4.8
171.02972	3.5
175.03970	4.6
176.69946	2.0
177.01889	3.0
179.03394	4.5
189.04037	4.9
191.07404	2.3
192.00693	6.2
193.01414	12.4
193.05008	10.1
199.02483	49.1
200.02798	3.1
205.05029	4.8
216.95935	4.8
217.03519	85.3
217.96921	3.1
218.03999	3.0
218.97588	10.6
219.02975	3.1
235.04546	100.0
236.04951	3.9
237.03998	4.5
244.21584	2.0
262.96527	16.2
265.07224	4.1
275.02063	2.1
277.03458	2.9
334.98581	11.3
335.98636	2.5
337.05566	6.5
397.07394	4.9
397.11929	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	397.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44028	0.9
55.01866	3.9
57.03445	3.1
58.00577	4.4
59.01379	100.0
60.01690	1.2
61.98838	2.0
65.30733	1.3
66.68089	1.0
69.03461	6.3
69.31720	9.0
71.01380	89.9
72.01692	1.3
72.99304	7.5
73.02945	19.4
75.00864	2.7
81.03452	3.5
81.32104	1.0
83.01383	11.3
85.02947	22.3
87.00877	21.1
89.02443	74.8
90.02829	1.5
91.03998	3.2
93.03458	1.6
95.01386	5.4
97.02956	19.2
98.22463	1.1
99.00889	7.7
101.02441	73.3
102.02767	1.3
103.04018	2.6
109.02909	1.8
111.00869	1.6
111.04534	2.7
113.02446	35.1
115.04012	1.7
119.03505	27.0
121.02935	2.6
125.02449	23.1
131.03493	4.0
133.05070	4.1
137.02434	1.3
139.03999	3.3
143.03506	10.1
161.04556	13.8
167.03542	1.4
169.05064	2.3
179.05635	5.2
185.04573	1.6
203.05598	1.1
217.07127	3.6
221.06609	3.8
235.08228	20.2
245.06575	2.4
253.09386	2.5
263.07599	1.8
287.07687	2.1
305.08752	2.4
323.09738	1.7
361.11346	1.3
379.12439	2.6
397.13492	79.0
398.13809	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	397.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.0
61.98817	5.8
69.45535	14.9
71.01362	5.7
71.05005	4.0
72.99309	34.2
75.00880	3.1
81.03435	3.7
83.01396	2.9
83.04575	3.8
83.05027	53.0
92.55962	2.1
93.03459	6.3
96.96011	5.1
99.00922	2.3
99.92556	7.9
100.93347	2.8
101.02437	3.3
109.02879	5.1
111.04524	35.0
115.00364	2.0
115.04005	18.6
115.92068	21.9
116.92860	5.3
117.03490	2.3
118.21151	2.2
119.05017	8.1
119.51570	2.0
121.02889	3.7
123.00851	2.5
125.02383	2.4
127.04005	83.9
128.04353	3.0
129.05553	7.1
132.89790	2.2
133.02922	4.9
134.03752	10.6
135.02985	4.1
135.04506	10.2
137.02406	9.3
145.02940	12.0
149.06032	9.1
155.02274	5.0
155.03502	79.7
156.03851	3.4
157.08614	3.8
161.02388	4.2
162.03111	2.0
163.03961	9.2
164.01088	6.8
165.01956	12.8
169.01363	3.8
171.02959	4.2
175.03995	4.3
177.01917	2.6
178.02731	3.1
179.03459	4.4
191.03639	2.6
191.05600	3.6
191.07257	2.6
192.00595	10.0
193.01364	11.5
193.05045	9.6
199.02475	50.3
205.05087	5.4
216.96080	3.1
217.03517	97.7
217.96690	2.2
218.03792	3.8
218.97488	8.9
219.02937	2.6
235.04533	100.0
236.04918	4.3
237.03972	4.9
262.96555	18.2
265.06998	8.0
279.09143	2.3
316.97427	2.9
334.98563	17.2
337.05496	5.0
345.41916	2.1
356.65741	2.5
384.22028	2.5
397.07568	6.8
397.11880	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	395.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57496	11.0
59.01379	100.0
61.98824	25.5
70.67940	32.0
71.01388	76.3
73.02946	18.3
75.00863	48.7
82.54910	10.8
85.02933	24.6
89.02443	48.0
95.01376	14.2
96.96025	98.6
99.00902	16.7
101.02430	38.0
113.02479	21.8
116.92857	24.7
119.03495	10.6
129.02020	16.8
135.02969	70.3
135.04463	19.9
137.02391	38.2
145.05066	11.6
151.03966	49.3
161.04588	18.9
169.01462	16.5
176.26579	10.6
177.04022	26.9
179.03481	15.6
179.05554	15.9
191.05568	16.3
197.04527	32.7
290.72626	11.8
297.06274	12.3
308.06802	11.9
329.87857	11.8
395.11188	17.6
395.15521	74.7
399.39545	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	395.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23566	0.6
56.37193	0.5
57.03434	0.6
59.01379	4.4
68.24600	0.5
68.72478	0.5
69.31588	4.6
71.01385	2.1
73.02951	0.8
85.02956	2.0
88.69746	0.5
93.03455	61.1
94.03781	2.0
96.08247	0.6
96.95979	0.8
101.02462	1.4
113.02455	0.8
113.06133	0.8
137.02444	100.0
138.02792	4.1
148.05632	0.6
156.58597	0.6
161.04597	0.7
339.12054	0.5
394.32101	0.8
395.24368	1.7
395.29102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21861	0.4
59.88157	0.4
71.51028	0.5
71.51424	0.5
79.95874	0.4
96.83559	0.4
99.92597	2.0
100.93353	3.3
115.92075	100.0
116.92088	4.5
116.92871	3.3
132.92381	1.2
236.78096	0.5
317.39948	0.4
395.22452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80149	0.6
59.01373	1.8
61.98847	0.6
63.58738	0.6
71.01379	0.7
71.52699	0.9
75.63134	0.7
81.81024	0.5
87.82953	0.6
89.02441	1.0
135.02951	0.7
147.37201	0.6
152.99651	1.4
163.97176	0.6
174.00833	0.6
204.67757	0.6
277.21707	100.0
278.22037	11.1
311.16788	0.9
395.23944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	29.5
58.02974	30.9
59.01381	11.8
61.98833	1.5
68.01392	1.8
69.03450	2.6
70.02973	9.2
70.54569	3.2
71.01379	15.9
72.04535	5.0
73.02940	2.8
74.02473	80.3
82.02930	1.5
83.05017	6.6
84.04543	5.2
85.02953	33.7
85.06574	2.6
86.02450	2.4
89.02441	1.9
93.03459	3.1
96.52235	1.2
98.02482	25.3
99.04512	7.1
100.04021	4.4
101.02416	2.0
103.95757	1.5
107.04987	1.4
108.84525	1.3
109.02928	1.9
109.06581	8.0
111.04521	14.5
111.08120	3.6
113.02436	1.7
113.06078	4.3
113.33883	1.2
116.03530	17.3
121.06581	2.4
123.08152	1.6
125.06114	2.9
126.05622	1.4
127.02712	2.2
128.81314	1.3
129.09222	48.0
130.09543	1.8
131.07146	1.9
133.06583	12.1
134.54500	1.2
135.08102	1.8
137.02444	4.6
139.07617	3.2
141.13686	1.3
151.04616	1.2
151.07629	5.9
155.10782	12.7
161.09668	4.0
162.09142	3.3
163.00294	1.5
163.07645	16.8
167.10660	2.1
179.10829	2.7
183.75531	1.2
190.57486	1.3
193.84140	1.3
195.13881	3.2
207.13797	4.5
217.11984	1.8
219.93323	1.3
233.15454	1.7
257.15451	8.7
263.16296	2.1
270.98724	5.1
275.16522	23.8
276.16846	3.2
281.17624	3.0
285.52612	1.5
292.19174	3.4
293.17566	100.0
294.17911	9.8
298.98315	2.0
316.19083	3.4
324.84814	1.4
334.20221	8.3
352.21191	24.2
353.21753	1.6
396.20276	17.0
397.05624	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	393.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.8
64.53999	0.5
66.15886	0.5
69.68687	2.9
71.01373	2.1
72.99297	2.1
74.10424	0.5
75.00871	30.4
85.02962	0.6
87.00877	1.3
89.02443	6.1
98.20618	0.7
99.00838	0.6
101.02421	0.7
103.13027	0.6
117.01937	2.1
121.88287	0.6
135.02997	100.0
136.03343	2.4
141.41695	0.5
149.42226	0.5
159.04463	0.9
164.11366	0.6
172.05328	3.1
173.06039	1.2
174.06909	0.6
183.04456	1.0
187.04027	1.0
187.07634	21.8
188.07990	1.6
199.03995	1.7
201.05566	1.5
202.06352	1.8
211.07561	0.7
213.09193	2.7
215.07091	4.2
227.03485	2.4
228.04277	2.4
229.08690	1.6
231.06627	1.4
231.10266	6.0
231.15887	1.2
257.08182	19.2
258.08499	1.3
275.09238	6.1
393.11847	1.2
393.21432	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	393.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21012	2.0
59.01381	100.0
69.74095	1.8
75.38858	1.4
76.19648	1.4
80.70094	1.4
84.84643	1.4
85.04760	1.5
90.16599	1.9
90.17352	1.9
96.95988	2.7
106.38622	1.5
255.23250	3.2
364.79523	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	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69719	32.4
68.41357	30.6
70.17934	78.1
70.18349	100.0
106.90432	38.4
107.79758	28.2
124.74862	39.7
295.40649	36.9
297.74481	40.5
377.88705	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01268	0.9
57.05447	0.8
59.01380	10.6
61.98831	100.0
69.56989	2.2
69.57400	3.0
71.01385	11.8
72.99325	1.0
73.02937	3.5
75.00853	1.2
83.01397	1.3
85.02937	3.3
89.02444	9.5
93.03454	1.0
96.96030	1.6
97.02949	1.6
99.00877	2.5
101.02457	5.5
101.06084	1.7
113.02435	3.5
119.03358	1.0
119.05016	0.8
120.08200	1.0
123.00865	1.0
125.02449	35.7
126.02778	1.8
129.01900	0.8
131.03545	2.3
149.04564	5.7
161.04541	2.1
163.03986	1.1
169.01421	90.2
170.01755	3.0
177.04065	2.1
191.05536	1.3
202.99895	1.0
211.02368	1.0
263.11298	1.2
300.99792	1.6
331.06711	24.2
332.06961	1.4
394.13870	1.1
395.15512	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	393.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.1
59.51812	0.5
61.98816	0.5
68.55702	0.5
69.49064	3.4
71.01386	1.6
72.99308	3.3
73.02951	1.2
75.00873	31.8
76.01218	0.6
76.16694	0.5
87.00854	1.4
89.02451	6.5
98.19962	1.2
101.02461	0.5
106.76218	0.5
109.02914	0.8
117.01913	4.3
135.02998	100.0
136.03319	2.7
146.03761	0.5
148.15889	0.5
152.09900	0.4
159.04512	1.8
172.05342	2.9
173.06049	2.6
174.06847	1.2
183.04602	0.6
183.08165	0.5
184.05275	0.7
187.04053	2.8
187.07655	25.5
188.07996	1.5
197.06096	2.0
199.04007	2.3
200.04778	1.8
201.05559	2.4
202.06346	5.3
203.06721	0.6
203.10732	0.8
213.09209	9.2
214.09627	0.6
215.07104	6.2
216.07896	0.8
227.03487	2.1
228.04243	1.9
229.08687	2.3
231.06596	1.3
231.10248	15.4
232.10574	1.0
257.08191	23.1
258.08453	2.5
275.09250	11.4
275.18817	0.9
276.09613	1.0
393.12000	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35434	1.1
59.01380	100.0
59.76394	1.0
60.01703	1.8
67.72115	0.9
69.29210	2.4
69.29632	5.8
71.01380	7.5
80.08158	0.9
85.02950	1.6
89.02443	6.3
92.83435	1.1
101.02452	5.3
113.02465	3.7
119.03487	2.8
131.31612	1.0
161.04559	7.1
188.80597	1.0
278.61618	0.9
331.17621	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	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01451	0.8
52.78603	0.9
53.78985	0.7
59.01379	100.0
60.01702	1.2
62.30497	0.7
64.20638	0.9
71.01379	6.4
73.02934	1.9
75.00854	1.2
80.39703	0.9
85.02943	2.9
88.37070	0.8
89.02449	5.2
95.01353	1.4
98.20646	2.3
99.00877	1.6
101.02454	6.3
113.02451	2.4
119.03479	2.6
121.02931	1.5
122.03716	1.9
123.00874	2.0
125.02435	1.0
127.64009	0.8
132.08229	0.8
135.02991	1.3
149.02437	3.4
150.03215	10.1
151.03998	3.6
161.04515	5.1
165.05559	10.5
166.99831	1.4
168.00604	2.7
168.66672	0.8
179.05489	0.9
181.04980	1.3
195.06636	9.6
195.22072	0.8
225.11282	1.0
229.04266	0.9
243.12346	1.4
300.99734	0.9
331.17590	5.9
343.11826	2.2
343.73306	0.9
391.06714	1.5
396.57245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31609	3.8
59.01381	26.3
61.98832	100.0
66.83118	3.2
71.05015	5.9
82.52206	3.3
107.01425	5.4
121.41501	3.7
125.02474	11.2
147.37872	3.6
169.01413	16.8
300.99780	9.1
340.07071	4.2
393.31592	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
70.74790	59.4
71.08372	23.9
78.95926	26.7
83.69403	26.4
96.61673	27.6
97.01880	23.2
130.70874	25.4
174.50639	28.4
389.18683	29.7
390.19785	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11692	6.2
59.01379	100.0
69.69674	37.8
78.36610	7.6
91.14867	7.0
170.14908	6.4
259.89627	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	389.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.34667	3.0
70.75396	9.4
71.01354	3.4
79.83910	3.2
80.96513	5.5
82.33954	3.0
104.23762	3.3
112.98708	3.0
142.00923	2.7
193.60829	3.8
197.11737	3.3
213.89223	3.1
389.18976	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	71.8
60.01724	4.9
60.63478	4.8
61.98537	6.8
61.98832	100.0
64.36460	5.4
69.48746	29.3
71.01372	8.6
71.05018	6.1
89.02433	6.5
256.80862	5.5
390.28497	6.6
391.25348	7.7
391.30066	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	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01379	100.0
60.01719	0.6
69.03477	0.5
69.55999	3.9
70.05679	0.6
71.01382	18.2
73.02944	12.0
81.07118	0.7
83.01391	2.6
85.02959	6.4
87.00928	0.9
87.04530	1.7
89.02439	9.5
95.01406	2.0
96.25114	0.6
99.00907	1.5
101.02434	13.5
101.06103	0.6
112.59090	0.5
113.02449	12.9
119.02791	0.6
119.03464	3.6
123.00961	0.9
125.02465	2.2
136.14461	0.6
143.03540	1.4
159.03081	0.8
161.04538	5.7
169.01447	0.7
175.03941	0.9
179.05780	0.8
185.11913	0.6
187.13397	8.5
188.13719	0.7
203.03464	0.6
257.05267	0.6
301.00009	1.6
316.03397	0.9
331.17542	7.0
331.20554	0.6
349.18643	10.5
349.22400	0.8
350.19098	1.2
391.19968	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	389.218
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
53.12902	0.8
55.01875	7.9
57.03442	7.5
58.00595	1.8
59.01379	53.4
70.89954	1.6
70.90279	1.3
71.01379	100.0
72.01706	1.2
72.99315	2.4
73.02944	33.4
75.00864	1.7
81.03470	1.4
82.90424	0.8
83.01387	13.3
85.02952	48.2
86.00061	0.8
87.00863	3.9
89.02448	16.3
95.01398	7.3
97.02955	3.1
99.00876	14.9
101.02440	75.4
102.02747	1.8
111.00873	1.2
113.02448	41.4
119.03511	4.3
125.02455	2.7
129.01917	2.3
131.02245	0.9
131.08682	1.2
143.03497	4.9
147.11790	4.4
159.02994	12.3
161.04552	65.3
161.97166	0.8
162.04875	1.3
168.75783	0.9
179.05571	1.9
184.53757	0.9
217.01471	0.9
227.16531	2.9
271.15555	1.6
307.85074	0.9
389.21811	74.6
390.22180	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49651	26.2
59.01381	100.0
60.45185	29.8
61.98827	35.9
71.01372	31.8
80.96507	37.1
201.40030	26.8
202.44005	25.9
229.70946	44.0
299.04260	32.9
346.49261	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	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	16.4
61.98828	100.0
69.16101	31.0
71.01382	4.8
89.54565	2.5
91.05684	2.8
96.95985	5.2
101.02460	3.4
118.43176	3.2
121.06606	5.0
123.08160	5.9
127.30745	3.3
155.09207	2.6
165.12805	3.8
183.13879	5.9
227.12889	9.8
247.88715	3.2
265.17957	4.3
321.22165	8.7
329.44916	2.8
337.25592	3.5
338.37628	2.7
355.22662	3.2
355.26379	17.3
387.25601	3.0
388.25720	6.9
389.22644	5.1
389.27036	11.1
399.25406	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	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98826	11.0
71.01377	3.4
71.53260	1.1
80.39709	0.9
85.02963	1.2
85.10484	0.9
89.02450	1.7
101.02427	3.2
101.36438	1.1
113.02462	3.6
119.03467	1.4
161.04514	2.3
162.73219	0.9
165.12822	1.3
167.10773	42.6
168.11020	2.0
183.13896	2.5
209.11784	1.2
215.96388	0.9
227.12822	3.7
333.22391	1.7
345.24908	1.0
389.08005	1.1
389.23108	3.2
389.27643	10.5
390.28122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.77394	0.6
57.03426	0.7
59.01369	5.6
67.20375	0.6
69.03453	0.9
69.43126	4.5
69.43499	0.6
71.01371	4.4
85.02930	1.3
89.02427	3.4
93.15718	0.6
101.02441	2.8
111.08133	1.4
113.02473	3.5
119.03471	0.9
143.43727	0.6
159.60606	0.6
165.12834	24.5
166.13176	1.4
169.28326	0.6
176.12854	0.6
183.13889	72.3
184.14166	4.1
197.15495	2.4
207.13913	2.1
209.11850	2.5
225.15021	2.3
227.12871	100.0
228.13229	7.1
251.12852	3.3
269.13910	3.0
299.15085	0.7
300.85773	0.6
329.15924	1.5
389.18030	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25703	0.3
55.01861	0.8
57.03452	1.1
58.00589	0.9
59.01377	100.0
60.01713	1.7
61.98829	3.4
69.03461	0.7
69.67819	2.3
71.01379	22.8
72.99302	1.1
73.02942	10.6
75.00867	1.1
78.38907	0.4
83.01378	3.0
85.02948	7.6
86.05035	0.4
87.00880	1.6
89.02444	13.4
93.03474	0.6
95.01383	2.3
97.02961	0.4
97.06587	3.3
99.00907	1.7
99.25047	0.4
101.02438	14.1
109.06549	0.5
113.02446	16.2
114.02795	0.4
115.04013	3.0
119.03490	4.4
123.00906	0.4
123.04504	0.5
125.02470	1.4
129.01863	0.4
131.03493	0.6
137.02458	0.4
143.03497	1.3
147.04555	0.6
149.09756	0.7
155.10794	0.6
159.02962	0.5
159.04401	0.5
161.02490	0.9
161.04568	4.5
163.03946	0.6
163.11299	0.7
164.11554	0.4
173.04568	0.3
175.03952	0.7
177.01901	0.7
177.04060	0.6
179.05600	0.8
185.11810	5.0
190.02754	0.7
191.03600	0.6
191.05629	0.6
201.05721	0.4
202.02579	0.4
203.03496	10.5
204.04155	1.6
209.11903	0.5
211.03972	1.0
215.03331	0.5
222.01764	0.5
227.03494	4.7
229.01459	0.6
229.05020	12.5
230.05539	1.5
241.05089	0.4
243.02989	1.3
250.27911	0.4
254.05786	0.4
255.02718	0.6
255.06583	0.8
255.10074	0.7
270.09106	0.5
271.09827	3.5
273.03995	0.9
273.07739	1.1
273.11325	5.0
274.11484	0.5
275.02090	1.0
283.06543	0.4
283.09805	1.2
299.09253	4.1
300.99890	1.6
301.07559	0.6
301.10849	2.2
309.07843	0.6
315.32449	0.4
317.10382	0.5
327.08765	4.4
329.12265	0.5
329.16043	7.2
330.16653	0.5
345.09885	1.8
347.17059	7.6
348.17349	1.0
371.07486	0.4
389.08774	32.7
389.17313	5.6
390.09134	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	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
55.39124	0.5
57.03447	1.1
59.01379	100.0
60.01701	1.0
60.05048	0.6
65.33221	0.5
70.05737	0.5
71.01378	10.9
71.29310	0.7
71.29640	0.6
73.02952	3.9
75.00888	0.9
76.76653	0.5
80.54655	0.5
83.01421	1.5
85.02949	5.6
87.00868	1.0
89.02450	2.8
95.01377	0.9
97.02998	0.7
99.00893	1.6
101.02445	9.6
109.02869	0.6
113.02438	4.5
119.03546	0.8
129.01961	1.1
143.03526	1.1
159.03006	1.8
159.13400	0.6
161.02527	1.0
161.04549	14.4
161.05884	0.8
162.04893	0.9
162.06416	0.6
165.04031	1.4
181.08862	0.6
187.87248	0.6
197.11877	2.2
202.66339	0.6
231.02969	0.7
241.10873	1.8
271.15515	1.0
275.01782	0.6
300.99844	0.8
329.16028	17.3
329.19760	1.2
330.16501	1.9
389.14517	1.7
389.18436	1.1
389.22327	0.8
401.91434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1814
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01870	1.2
57.03431	0.9
59.01379	76.0
60.12824	0.8
69.22398	8.6
71.01378	13.3
72.99302	1.6
73.02947	4.5
75.00874	1.1
83.01373	2.5
83.13802	0.9
85.02948	6.8
87.00844	1.5
89.02441	6.8
92.31612	0.8
95.01370	1.1
99.00893	1.5
101.02432	10.9
107.01332	0.8
113.02425	5.0
117.03462	1.2
119.03520	1.6
125.02384	1.5
150.03218	1.2
156.10950	0.8
158.00000	0.9
161.02435	1.1
161.04555	1.7
165.05643	1.2
191.05565	5.6
193.05046	1.1
203.03462	2.5
229.01440	1.2
229.04918	1.5
241.10722	1.0
271.15503	2.6
275.01962	1.2
300.99759	1.3
313.11819	1.7
329.15927	2.0
376.02524	1.7
389.08899	3.7
389.18164	100.0
390.18329	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	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25703	0.3
55.01861	0.8
57.03452	1.1
58.00589	0.9
59.01377	100.0
60.01713	1.7
61.98829	3.4
69.03461	0.7
69.67819	2.3
71.01379	22.8
72.99302	1.1
73.02942	10.6
75.00867	1.1
78.38907	0.4
83.01378	3.0
85.02948	7.6
86.05035	0.4
87.00880	1.6
89.02444	13.4
93.03474	0.6
95.01383	2.3
97.02961	0.4
97.06587	3.3
99.00907	1.7
99.25047	0.4
101.02438	14.1
109.06549	0.5
113.02446	16.2
114.02795	0.4
115.04013	3.0
119.03490	4.4
123.00906	0.4
123.04504	0.5
125.02470	1.4
129.01863	0.4
131.03493	0.6
137.02458	0.4
143.03497	1.3
147.04555	0.6
149.09756	0.7
155.10794	0.6
159.02962	0.5
159.04401	0.5
161.02490	0.9
161.04568	4.5
163.03946	0.6
163.11299	0.7
164.11554	0.4
173.04568	0.3
175.03952	0.7
177.01901	0.7
177.04060	0.6
179.05600	0.8
185.11810	5.0
190.02754	0.7
191.03600	0.6
191.05629	0.6
201.05721	0.4
202.02579	0.4
203.03496	10.5
204.04155	1.6
209.11903	0.5
211.03972	1.0
215.03331	0.5
222.01764	0.5
227.03494	4.7
229.01459	0.6
229.05020	12.5
230.05539	1.5
241.05089	0.4
243.02989	1.3
250.27911	0.4
254.05786	0.4
255.02718	0.6
255.06583	0.8
255.10074	0.7
270.09106	0.5
271.09827	3.5
273.03995	0.9
273.07739	1.1
273.11325	5.0
274.11484	0.5
275.02090	1.0
283.06543	0.4
283.09805	1.2
299.09253	4.1
300.99890	1.6
301.07559	0.6
301.10849	2.2
309.07843	0.6
315.32449	0.4
317.10382	0.5
327.08765	4.4
329.12265	0.5
329.16043	7.2
330.16653	0.5
345.09885	1.8
347.17059	7.6
348.17349	1.0
371.07486	0.4
389.08774	32.7
389.17313	5.6
390.09134	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	389.2182
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
54.41582	0.5
55.01879	6.5
57.03443	4.5
58.00586	3.2
59.01377	95.1
60.01721	1.1
60.95079	0.5
69.03453	0.8
70.90392	1.1
71.01379	100.0
71.05016	0.6
72.01729	0.8
72.99310	4.2
73.02940	23.7
74.03289	0.7
75.00867	1.7
77.08646	0.6
83.01382	12.6
83.01882	0.6
84.02141	0.8
85.02946	36.0
86.00098	1.1
87.00877	4.7
89.02442	63.1
90.02774	1.2
95.01385	7.7
97.02950	2.3
98.60226	0.5
99.00876	8.8
99.03144	0.5
101.02439	75.6
102.02796	1.2
108.75169	0.5
111.00877	1.9
113.02447	40.3
114.02800	1.0
116.50109	0.5
119.03497	32.3
120.03831	0.9
125.02446	2.0
129.01910	1.5
131.03488	3.4
143.03506	7.0
147.11803	2.0
149.04582	2.8
159.02991	8.1
161.02426	1.3
161.04547	33.7
162.04855	1.4
165.04018	0.7
166.10699	0.6
179.05615	12.8
179.07196	0.7
193.04933	0.6
203.03519	0.8
205.03419	0.8
227.16489	1.7
229.05054	1.3
247.02457	0.8
272.15778	0.6
301.00037	0.8
389.09000	3.7
389.21799	82.3
390.09045	0.6
390.22125	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	388.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01347	1.4
59.01385	17.7
59.28810	1.4
61.98832	100.0
63.94217	1.3
67.01921	1.4
71.01383	5.3
73.02959	1.6
85.02944	3.6
85.55391	1.3
87.00844	1.3
89.02445	2.9
96.97009	1.7
98.20725	3.4
101.02456	3.6
110.59789	1.1
112.37468	1.2
113.02461	1.9
123.00862	1.3
124.01674	2.7
125.02474	3.1
130.57654	1.2
138.59554	1.4
153.05562	8.9
165.05563	1.3
169.01483	2.2
207.88765	1.4
389.10861	2.8
395.92709	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	91.7
69.93507	100.0
69.93902	88.7
90.28773	41.7
98.19943	46.6
250.89517	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37686	47.3
59.01387	100.0
61.98837	61.9
71.01381	53.5
95.22607	48.3
101.02424	50.8
113.02407	47.3
137.64163	55.5
150.32372	40.1
311.57425	56.1
387.25497	55.2
387.30798	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
57.03448	4.6
58.00598	2.9
58.79049	0.6
58.99560	0.5
59.01379	77.2
60.01722	1.2
61.01806	0.5
61.08178	0.5
69.03487	0.5
69.79642	1.9
69.80061	1.0
71.01378	56.3
71.05016	0.9
72.01719	0.7
72.99313	3.9
73.02947	11.0
75.00874	1.4
83.01385	5.8
83.05006	0.5
84.02155	0.7
85.02950	20.0
87.00883	2.4
87.88000	0.5
89.02443	38.1
90.02794	0.5
93.03480	0.6
95.01375	4.9
97.02950	0.9
99.00881	3.6
101.02441	41.7
102.02779	1.0
102.98591	1.0
108.02235	0.5
109.02995	0.7
111.00852	1.5
113.02446	22.8
114.02802	0.8
119.03494	17.7
121.02953	1.1
121.10197	0.6
123.00880	3.2
123.08097	0.6
125.02442	3.3
129.01955	0.6
131.03485	1.7
135.03035	0.7
136.01651	8.1
137.02454	2.9
137.09715	0.8
139.00365	1.1
140.01180	1.0
143.03490	2.7
149.02357	0.6
149.04568	1.4
151.00351	4.1
151.03995	10.2
151.11304	1.2
152.08423	0.8
153.09135	0.6
153.12918	0.5
155.10890	0.8
159.03050	2.5
161.04539	10.0
162.03227	0.8
163.11382	1.2
165.04065	1.4
165.09201	5.5
166.02713	4.1
166.09615	0.9
168.00697	1.6
169.01443	2.5
175.04007	0.6
177.01950	0.7
179.05533	2.7
181.05103	5.8
181.12392	0.9
189.12898	0.8
195.13916	1.7
197.15408	2.0
201.49850	0.5
207.13976	3.3
225.14943	15.9
226.15300	1.5
248.83217	0.5
251.05658	1.2
254.28502	0.5
268.25589	0.6
269.14008	1.3
271.02505	0.7
295.04758	0.5
339.15497	0.5
343.08121	0.9
357.09799	2.1
372.12183	1.1
387.12750	14.6
387.20215	100.0
388.13501	2.2
388.20508	11.4
394.37814	0.6
402.31064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.4
57.03455	4.0
58.00592	2.0
59.01379	77.2
60.01724	0.7
69.03472	0.6
71.01379	49.7
71.05019	0.9
71.22700	0.9
72.01755	0.9
72.99304	3.3
73.02946	10.7
75.00871	1.5
83.01392	6.6
85.02950	18.9
85.03469	1.0
86.03263	0.7
87.00880	4.8
89.02441	37.8
90.02780	1.0
93.03477	0.7
95.01384	4.5
97.02915	1.0
99.00868	4.2
99.04506	0.6
101.02442	40.8
102.02786	0.9
102.98582	0.8
107.01397	0.9
111.00880	1.6
113.02447	20.3
114.02808	0.7
119.03500	17.6
121.02955	0.9
123.00900	3.6
123.08240	0.7
125.02438	3.9
129.01970	1.1
131.03487	1.3
136.01648	3.7
137.02457	1.7
137.09695	1.9
139.00388	1.3
141.01915	0.7
143.03490	2.1
149.04504	1.0
151.00374	3.5
151.03992	5.8
151.11282	1.5
152.08427	0.9
158.08723	0.6
159.03004	1.6
161.04556	9.6
164.04826	0.5
165.03963	1.6
165.09189	3.6
166.02707	1.9
168.00603	0.9
169.01430	3.4
177.01869	0.6
177.05598	0.7
177.89255	0.5
179.05621	2.7
181.05038	3.4
181.12314	0.7
189.12862	0.8
195.13924	1.8
197.15485	1.5
207.13921	3.2
225.14955	19.2
226.15251	1.4
251.05562	1.4
269.13983	0.7
270.05487	0.5
327.13730	1.0
339.78448	0.6
343.08282	0.6
357.09836	1.0
372.11713	0.7
387.12888	19.3
387.20224	100.0
388.13010	1.7
388.20554	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.8
59.01099	1.2
59.01376	11.5
67.01883	1.7
68.99821	1.6
69.03452	1.2
71.01385	13.4
71.05013	0.9
72.99312	1.4
73.02909	1.2
75.00851	2.7
83.01390	16.3
84.02149	1.9
85.02955	9.1
87.00879	1.3
89.02437	4.2
97.06585	1.6
99.00866	3.6
101.02434	2.9
105.01913	1.1
111.00881	27.8
111.08153	5.0
111.28351	0.8
113.02467	1.5
129.01939	41.3
147.02998	18.9
165.12837	46.6
166.13211	3.2
177.04036	36.1
178.04364	1.3
183.08116	1.5
183.13890	100.0
184.14229	6.0
194.84698	0.8
197.15453	6.8
205.16005	1.6
207.13889	1.5
209.11830	9.6
223.17046	2.8
225.14996	2.1
227.12862	43.6
228.13203	3.4
241.14394	1.0
249.14839	1.5
251.12944	1.5
251.16591	1.1
269.13937	1.8
277.14224	1.3
295.15509	4.1
339.14594	4.1
357.15533	33.0
358.15805	2.4
387.16602	94.4
387.24945	2.3
388.17035	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	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29258	0.6
52.73887	0.6
54.87482	0.5
55.01868	1.1
56.07804	0.6
57.03450	1.7
58.00600	1.8
59.01378	100.0
60.01704	1.0
71.01379	33.9
72.99307	1.7
73.02934	3.9
75.00875	1.7
83.01388	2.6
85.02951	9.6
87.00880	1.2
89.02441	27.0
95.01386	2.2
95.04990	0.6
97.02991	0.6
97.06589	0.6
99.00880	1.4
101.02441	20.4
102.98702	0.7
103.88910	0.5
113.02444	12.9
115.11706	0.6
117.58801	0.6
119.03496	11.9
123.08188	0.7
125.02450	1.2
131.03563	1.2
137.06075	0.7
137.84090	0.6
143.03542	1.0
144.88312	0.6
147.08162	0.7
149.04489	0.7
149.99553	0.6
151.03964	0.7
153.01913	0.7
153.05495	0.7
159.02966	1.1
161.04520	5.1
163.11284	15.2
164.11646	0.8
165.04021	1.8
167.07112	1.5
173.92439	0.7
179.05629	2.0
189.12877	3.8
207.10231	3.6
207.13876	1.8
217.05119	0.7
225.11307	0.9
269.13776	1.5
311.10150	0.8
313.12955	2.5
343.08221	0.7
387.16586	77.1
388.16867	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	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
58.00581	0.9
59.01377	70.8
60.01698	1.2
61.98829	1.9
62.87150	0.6
71.01376	15.4
72.99296	0.6
83.01349	1.3
85.02937	3.5
85.06589	9.5
89.02439	16.5
91.07634	0.6
94.22956	0.5
95.01390	1.9
101.02431	8.5
113.02434	5.4
113.06091	1.6
115.03992	1.5
119.03476	6.1
119.29530	0.5
119.30505	0.5
131.03543	0.7
136.31419	0.6
139.98383	0.6
153.92879	0.6
161.02429	1.3
162.02831	0.7
163.11301	5.2
189.07587	1.0
206.69882	0.7
207.10245	14.5
208.10583	1.4
228.88010	0.8
387.16577	100.0
388.16876	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	387.1659
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01844	0.5
58.00591	1.3
59.01380	74.6
60.01704	0.8
61.98822	1.9
69.39064	4.5
71.01380	15.3
72.99302	1.6
73.02930	0.9
76.78004	0.5
83.01395	0.7
85.02943	3.4
89.02444	14.6
95.01413	1.5
96.22180	0.6
98.20645	1.1
101.02444	9.6
113.02457	4.7
119.03504	5.2
121.02930	4.3
131.03484	0.7
163.11287	5.4
207.10258	12.3
208.10481	0.8
208.95863	0.6
267.02982	0.6
321.58148	0.6
368.36249	0.7
387.16595	100.0
388.16953	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1658
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01882	1.9
57.03445	2.2
58.00595	1.4
59.01379	100.0
69.03478	0.8
70.15013	0.5
71.01379	41.4
71.52692	1.1
72.99307	1.6
73.02945	32.6
78.57817	0.8
78.99656	0.6
79.67963	0.6
79.84502	0.6
83.01389	7.9
85.02952	11.8
87.00877	1.7
89.02445	12.7
95.01389	2.4
97.02931	1.0
99.00877	3.6
101.02438	31.2
102.02799	1.2
113.02448	14.3
119.03512	4.1
121.10227	12.1
125.02451	1.5
131.03465	1.5
143.03496	2.1
149.04590	0.9
159.02994	2.3
161.04547	17.0
165.09174	3.9
167.10754	1.5
179.05603	1.0
180.03978	0.7
183.10287	0.7
194.78181	0.7
205.12428	0.7
207.10265	1.5
217.01486	0.6
227.03462	0.7
271.02399	1.6
299.09436	1.7
300.09277	0.8
301.16531	9.2
324.57516	0.8
325.06921	1.1
327.14493	2.7
343.08231	3.1
345.15384	2.4
387.07162	2.6
387.11557	1.3
387.16507	22.0
388.16800	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	387.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03453	1.5
58.00603	2.3
59.01380	70.2
61.98833	13.0
69.19006	5.6
69.19411	1.8
71.01381	32.2
72.99313	2.3
73.02950	2.7
75.00869	2.3
75.06876	0.8
83.01407	2.1
85.02962	7.6
87.00865	1.5
88.98805	1.2
89.02450	32.7
93.03463	6.2
95.01413	2.8
95.05056	1.6
97.02974	1.9
101.02441	21.0
111.00837	1.0
113.02445	11.9
119.03512	11.6
121.02980	2.0
123.00876	1.9
123.04581	0.9
123.11201	0.9
124.01687	1.5
125.02457	6.0
135.03033	1.6
137.02443	4.0
139.00415	1.1
141.01935	1.2
143.03508	1.5
146.73090	0.7
147.08157	1.0
149.02463	5.5
149.04573	1.3
149.99648	2.2
160.79199	0.8
161.04588	3.6
163.11290	15.1
163.12553	1.1
165.04147	1.0
165.05591	1.0
167.03506	0.9
168.00668	3.6
169.01448	2.4
177.01921	37.2
178.02512	2.4
179.05518	1.7
191.03531	1.7
192.04286	51.4
193.04930	3.6
195.10283	0.9
207.06625	100.0
208.06953	6.2
208.08614	0.7
225.07814	2.2
235.49083	0.8
272.38239	0.9
283.04184	0.9
343.06833	3.3
387.12927	3.4
387.16782	27.9
387.21313	1.5
388.17169	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	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
56.31787	1.1
57.03437	1.7
59.01378	100.0
60.01704	1.5
60.58807	1.0
63.50499	1.0
69.03441	2.0
70.27534	1.0
71.01381	49.6
71.53248	2.0
72.67279	1.1
72.99279	1.4
73.02945	53.3
74.03294	1.1
78.58607	1.1
81.03439	1.2
82.40283	1.0
83.01382	14.1
85.02953	10.3
87.00866	2.8
89.02437	11.0
95.01348	2.6
96.91658	1.1
97.02904	1.3
98.83078	1.1
99.00873	2.8
101.01796	2.4
101.02441	43.0
109.02925	1.6
112.24710	1.1
113.02457	15.9
119.03493	5.0
121.10216	11.4
123.00894	1.3
125.02449	2.5
131.03503	2.2
136.01646	22.2
137.02426	4.5
143.03476	3.3
149.04518	1.9
151.00317	3.4
151.04008	24.0
159.02882	1.8
160.04034	3.0
161.04549	16.6
165.09224	11.0
166.02692	10.4
167.10764	4.1
168.08859	1.1
179.03455	5.4
181.05077	16.7
194.05794	1.5
202.99934	1.1
218.04546	2.7
227.03616	1.4
267.11444	2.5
271.02719	1.2
271.06067	2.1
281.05615	2.5
301.16699	7.3
301.19690	1.3
311.10345	16.3
312.10474	1.6
327.14697	2.0
337.08298	3.2
343.08154	3.9
345.15475	8.0
349.23068	1.2
355.09338	8.7
356.09677	2.0
357.09949	6.2
372.12131	5.8
387.07391	2.6
387.16788	48.3
388.17084	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	387.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91272	0.8
59.01115	1.0
59.01381	16.7
61.76171	0.8
61.98832	7.9
69.03453	2.3
70.51560	0.7
70.66545	1.7
70.66918	1.6
71.01369	6.8
72.99316	1.1
73.02967	0.9
76.24049	0.8
77.69961	0.8
78.82212	0.9
79.01895	2.1
81.03447	2.2
83.01376	2.8
85.02944	3.3
87.46053	0.7
89.02453	6.6
93.03458	1.7
95.01392	4.4
97.02943	4.7
101.02442	3.9
107.01372	2.0
107.11243	0.9
109.02953	2.2
113.02413	2.4
119.03509	2.2
123.00883	18.6
124.00745	1.2
124.01657	29.3
125.02448	63.2
126.02738	2.4
135.02940	1.0
137.02406	3.6
137.09674	0.8
149.02388	1.8
149.99579	46.2
151.00410	4.2
163.11249	3.2
165.04010	1.6
166.99796	1.1
167.03424	2.3
168.00636	100.0
169.01393	9.8
177.01907	3.0
192.04224	3.9
200.82893	0.8
207.06618	7.6
211.02380	1.0
239.05582	2.3
265.03540	3.6
283.04544	17.5
284.04623	1.9
301.05533	3.4
325.05692	7.7
329.17032	0.8
343.06668	96.6
344.07031	9.4
387.12125	4.6
387.16537	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	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	6.4
58.00577	12.9
59.01374	22.2
59.73143	5.7
60.00084	5.1
61.98814	21.5
64.77490	5.6
71.01370	15.7
71.53091	8.2
78.95908	7.0
81.85875	5.7
83.01350	5.0
85.02926	7.7
87.04507	23.1
92.82446	6.2
99.08154	63.0
102.50828	5.9
113.09740	10.6
121.02969	7.2
127.07692	10.0
127.70943	5.4
129.09210	100.0
137.02422	15.4
149.00111	6.3
153.09200	11.8
167.14459	28.3
179.14464	7.2
183.13855	6.8
205.12434	5.6
205.15869	10.8
209.15422	7.8
211.17041	85.9
223.16978	16.9
279.23190	12.6
300.99805	18.7
305.24823	15.4
313.23712	7.1
323.25928	73.9
324.26248	10.0
341.26947	55.5
342.27368	7.4
383.25861	7.8
385.17786	9.8
385.27570	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
65.72752	0.6
66.14719	0.7
70.99081	1.7
75.58020	0.8
98.20477	1.0
130.08797	3.8
146.32616	0.7
164.99185	0.8
198.06406	0.9
214.55283	0.8
237.76669	0.8
314.12161	0.8
316.78830	0.8
322.20383	2.2
332.73068	0.8
336.21985	0.7
360.64371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
57.03447	3.3
58.00592	4.3
59.01377	100.0
60.01699	0.9
61.98832	2.1
69.03457	0.5
71.01380	73.7
71.23848	0.9
72.01707	1.1
72.99303	4.5
73.02938	4.0
75.00860	0.8
75.26823	0.4
83.01380	3.6
83.05025	0.5
85.02950	15.2
87.00891	3.3
89.02442	83.9
90.02762	1.0
93.03450	4.3
95.01385	4.3
97.02955	0.7
99.00877	1.7
101.02441	41.4
102.02728	0.9
107.04988	0.7
113.02449	31.9
114.02779	0.7
119.03497	38.8
120.03861	0.9
121.02892	0.7
121.06580	0.5
123.00875	0.5
123.04562	0.5
123.08176	2.6
125.02404	1.7
125.09708	0.7
131.03488	4.5
135.08122	1.3
137.02452	6.9
143.03487	7.0
145.02855	0.5
147.08109	1.5
149.04568	3.3
150.50720	0.4
153.09198	13.1
154.09584	0.8
159.02924	0.8
161.02440	0.9
161.04561	8.4
165.01897	0.5
165.09122	0.6
171.08144	0.6
177.01762	0.5
177.12823	0.5
179.05609	14.0
179.10793	0.6
187.11249	2.2
189.01897	1.6
190.02605	0.6
190.09949	0.6
205.12309	13.7
206.12581	0.9
217.01292	0.6
223.13345	2.8
276.24210	0.5
341.06229	0.5
385.18735	11.7
386.18582	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06069	0.8
55.01874	2.4
57.03448	15.0
58.00593	4.5
59.01378	100.0
69.03425	1.4
71.01382	68.2
71.05035	1.1
72.01720	1.6
72.99310	4.7
73.02937	7.3
75.00870	1.0
77.19341	0.9
81.03477	1.1
81.53941	0.9
83.01382	3.5
83.05029	2.9
85.02948	17.6
87.00869	8.4
89.02448	85.5
90.02792	1.2
93.03453	3.5
95.01385	4.7
97.02950	1.5
99.00883	4.0
99.04523	5.6
101.02442	46.9
111.11803	0.7
113.02452	31.8
113.06055	1.2
119.03510	34.9
121.06594	1.0
125.02487	1.2
129.01869	1.0
131.03511	3.6
134.03711	3.5
137.02434	4.6
137.09724	6.7
143.03494	3.4
145.29872	0.9
149.04544	3.0
151.07516	1.0
153.09189	5.2
159.02945	1.6
161.02498	1.9
161.04568	8.8
161.05801	1.5
163.11342	1.0
165.09207	74.7
166.06329	1.5
166.09541	3.2
175.07629	3.2
177.12807	1.9
179.05627	6.7
181.05144	1.0
181.08638	1.7
186.00014	0.9
187.11259	9.8
189.01945	1.2
190.10007	1.5
193.05067	1.9
193.12294	1.2
205.12329	17.5
206.12759	1.8
209.06635	2.0
218.33369	0.9
223.13390	8.8
267.07324	1.3
284.25348	1.1
295.15771	1.2
325.12921	3.3
341.06693	1.9
343.13962	2.5
385.11072	1.5
385.18683	10.4
386.18945	1.6
396.20523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
57.03445	2.8
58.00592	4.3
59.01379	100.0
60.01711	1.4
61.98833	0.8
69.24207	0.7
69.24612	3.9
71.01381	65.8
72.01713	0.9
72.99308	4.6
73.02953	4.5
73.34487	0.4
75.00880	1.0
81.03470	0.6
83.01376	2.3
84.02150	0.4
85.02949	13.2
87.00854	4.0
87.60161	0.5
89.02446	81.4
90.02765	1.4
93.03469	0.8
95.01398	4.9
96.01589	0.5
97.02911	0.8
99.00864	1.9
101.02443	35.6
102.02779	0.7
111.80077	0.5
113.02448	26.6
114.02782	0.6
119.03502	34.4
120.03860	0.8
123.08155	2.6
125.02443	1.4
125.09713	0.6
131.03497	2.9
133.23590	0.5
134.03717	1.5
135.02974	0.8
135.08147	1.3
143.03493	5.0
147.04582	0.7
147.08125	1.5
149.02470	2.3
149.04547	2.8
153.09210	12.3
154.09538	0.7
159.03012	0.5
160.74785	0.5
161.04581	6.5
161.05893	0.8
163.03918	1.0
164.04683	2.0
175.00349	0.7
175.03900	1.0
179.04138	0.7
179.05615	11.3
179.07047	1.0
187.11205	2.0
190.02731	3.5
190.09984	0.8
191.03380	0.8
193.04900	0.7
205.05106	3.0
205.12341	14.7
206.05588	0.6
206.12679	1.1
208.03694	0.9
221.08080	1.6
223.06128	4.6
223.13312	2.1
249.00304	0.7
265.07224	3.4
295.08099	3.0
301.02908	0.5
325.09296	3.1
325.12354	0.6
385.14328	0.6
385.18631	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18771	0.4
55.01874	3.0
57.03451	3.6
57.03698	0.6
58.00592	1.9
59.01379	63.0
66.69208	0.4
69.03458	0.6
69.56843	3.0
71.01382	66.2
72.01741	1.1
72.99308	2.6
73.02946	12.0
75.00890	1.2
81.03441	0.7
83.01385	6.0
83.05025	1.5
85.02952	23.6
87.00872	3.3
89.02441	34.2
90.02805	0.5
93.03468	0.5
95.01383	4.9
95.05041	2.2
97.02946	5.5
97.18818	0.5
99.00882	5.8
100.01216	0.5
101.02440	34.9
105.07099	2.0
107.05040	0.9
108.05817	2.1
109.02953	0.6
109.06620	1.1
111.04519	0.8
111.08181	0.7
113.02450	26.1
113.06068	2.9
114.02731	0.5
117.03471	0.5
119.03506	11.5
121.02968	1.3
121.06589	0.9
122.03757	1.9
123.08171	3.8
125.02445	1.5
125.06081	3.7
129.01933	0.7
131.03499	1.8
132.02228	0.7
133.02943	11.0
134.03734	2.5
135.04503	3.5
135.08229	0.7
136.05318	2.7
137.02441	0.8
137.06088	2.1
138.06865	23.8
139.07681	9.6
143.03477	3.3
147.08157	1.0
149.02460	3.1
149.04585	0.7
149.06061	1.3
151.07652	22.0
152.04836	2.2
152.08434	44.4
153.09212	100.0
154.09544	5.0
159.02992	3.8
160.01698	0.5
161.02449	31.6
161.04515	17.9
162.02824	1.7
163.04027	1.0
163.11313	3.2
164.04785	2.9
165.09152	2.3
166.06183	0.5
167.07181	1.7
174.91809	0.5
175.00368	2.4
175.04001	0.6
177.03996	0.8
179.03479	1.4
179.05621	3.4
179.07155	1.3
187.11330	1.1
189.09265	0.9
190.02721	7.6
190.10008	1.8
191.03471	0.8
193.05048	1.8
205.03279	0.9
205.05037	7.9
205.12326	31.6
206.05762	1.5
206.12640	1.8
207.02982	0.6
208.03745	0.8
209.00929	1.0
221.08197	1.6
223.04463	0.6
223.06172	5.4
223.13390	15.1
224.13725	0.8
247.06053	0.9
250.04866	0.6
265.07068	3.8
295.08105	3.0
317.52185	0.5
325.09320	3.8
385.11447	20.2
385.18695	6.9
386.11740	2.2
386.18893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.129
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
51.56326	1.4
56.99797	1.2
57.03445	12.5
59.01373	14.0
69.03441	3.4
69.17678	13.0
71.01374	4.1
71.26614	1.2
73.32632	1.2
75.00860	3.1
79.65720	1.4
81.03452	10.6
83.01387	12.4
85.02943	2.1
85.79928	1.3
88.64661	1.3
89.02441	4.9
90.96201	1.3
93.03452	3.8
95.01395	3.2
95.05032	8.9
97.02957	9.3
98.20661	3.1
99.04509	5.7
101.02418	2.5
107.05018	3.5
109.02964	7.1
111.04475	1.4
113.02416	2.1
119.03474	2.6
121.02957	7.5
122.03741	8.8
123.00869	2.1
123.04539	4.1
124.01646	3.4
125.02454	82.5
126.02772	3.7
133.06601	1.7
135.02982	5.1
135.04515	3.3
137.02449	100.0
138.02882	2.6
139.03987	5.4
146.03729	23.5
147.02985	1.2
147.04471	4.6
148.05331	2.0
149.06070	5.0
150.03242	2.9
151.03978	9.5
157.06555	2.1
159.04514	8.4
160.05254	1.6
161.02356	1.7
161.06087	4.2
161.09663	1.6
162.03258	1.5
163.00183	1.4
163.03970	1.6
164.01161	34.2
165.01924	90.1
166.02263	4.3
167.03491	40.9
172.05347	7.3
173.06035	15.8
174.03201	11.0
174.06834	7.5
175.03952	4.1
175.07643	40.5
176.04837	10.8
176.07959	2.6
177.01949	13.8
179.03500	28.5
179.10751	4.3
180.03865	1.3
185.06058	1.7
186.06754	2.5
187.04021	4.6
187.07655	12.4
188.04720	3.5
189.05478	2.2
189.09277	7.4
190.02676	4.5
191.03412	3.2
191.07133	2.0
196.05144	1.2
198.06639	1.7
199.07622	3.1
200.04771	9.7
201.05603	6.6
201.09201	10.3
202.06335	4.5
203.07112	19.6
204.04205	3.2
205.08640	8.7
205.12296	1.7
211.04008	2.0
211.07578	2.3
212.04797	3.3
213.05524	3.0
213.09151	3.4
215.07033	3.9
216.07956	2.3
217.08684	17.7
219.10414	1.4
223.09752	2.8
223.13391	4.1
225.05589	4.6
226.06306	4.4
227.07132	3.0
227.10704	1.6
229.08679	45.9
230.09001	3.6
237.07481	2.6
239.07074	2.8
239.10721	4.0
240.07921	3.1
241.08655	6.2
244.07254	2.4
247.09738	10.1
251.07059	3.5
252.07808	2.2
253.04993	1.8
254.05775	1.8
255.10228	6.1
257.11823	3.9
265.08685	1.6
268.07321	3.7
273.11508	2.5
279.09833	1.6
280.10953	2.1
281.11832	9.5
283.09665	7.4
288.06448	4.0
294.08926	3.9
295.09882	1.7
295.13205	2.5
297.11249	6.2
298.12274	2.0
299.12900	13.6
300.13202	2.1
301.10754	3.2
309.08771	4.4
323.12875	31.5
324.13205	2.4
325.10468	2.7
341.10257	5.0
341.13947	4.2
342.14157	1.7
349.10376	2.2
367.11829	85.3
368.12299	10.5
385.12909	42.1
386.13144	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	385.1291
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
51.88259	1.4
53.12094	1.4
57.03445	12.2
59.01383	16.8
60.99736	1.5
64.38263	1.4
69.03464	4.1
69.49353	9.4
71.01382	4.4
75.00900	3.1
81.03452	8.3
83.01383	11.5
85.02969	2.2
89.02444	3.3
89.23769	1.4
93.03468	3.0
95.01392	2.6
95.05016	7.7
97.02957	8.6
98.19836	1.4
99.04520	3.8
101.02431	4.0
109.02952	6.2
113.02441	2.0
119.03470	2.1
119.82668	1.5
121.02969	10.0
122.03719	6.2
123.00890	1.8
123.04544	5.1
124.01639	3.6
125.02445	75.0
126.02755	3.3
131.05048	3.2
135.02985	8.3
135.04520	5.6
137.02440	100.0
138.03148	2.7
139.04001	1.5
145.02814	1.5
146.03738	23.5
147.04494	2.3
147.08113	1.7
149.02380	1.8
149.06062	4.0
150.03189	2.1
151.04007	5.5
153.02103	1.8
159.04568	6.9
159.08208	1.8
160.05249	1.4
161.02426	2.8
161.06059	2.2
163.00409	1.6
163.33119	1.4
164.01149	30.9
164.02451	2.8
165.01924	87.0
166.02249	4.8
167.02151	2.9
167.03491	36.1
170.35934	1.6
172.05284	5.1
173.06030	15.9
174.03229	8.5
174.06868	5.7
175.03972	4.5
175.07635	42.7
176.04796	9.6
176.07977	2.4
177.01924	13.0
179.03484	22.0
179.10811	4.0
186.06866	3.1
187.04054	4.1
187.07626	8.7
188.08203	2.0
189.05560	4.0
189.09222	6.4
190.02728	6.5
191.03397	2.6
191.07127	2.3
199.04054	1.8
199.07707	2.5
200.04747	7.6
201.05544	5.6
201.09207	6.6
202.06316	4.1
203.07117	20.9
204.04262	5.7
204.07455	1.7
205.08698	10.3
209.96671	1.6
211.04054	2.9
211.07616	2.9
212.04648	2.5
212.24445	1.5
213.09164	2.5
214.75659	1.4
215.07172	2.3
216.07874	3.1
217.08675	16.1
223.13448	4.0
225.05594	5.4
226.06384	4.4
227.07143	3.4
228.07904	1.7
229.08684	37.7
229.12236	1.9
230.09142	2.3
239.07077	2.9
239.10802	3.4
240.07898	3.6
241.08684	4.2
244.07390	2.4
247.09781	12.1
251.07098	3.5
252.07755	2.1
253.05205	2.3
254.05638	2.3
254.09373	2.1
255.10252	6.2
257.11865	5.6
268.07373	3.8
270.08829	1.6
273.11273	2.1
281.11771	8.8
283.09653	5.4
288.06412	3.0
294.09003	5.0
297.11249	6.9
299.12943	9.7
323.12860	34.5
324.13068	2.6
325.10718	2.5
341.10309	2.6
341.13986	3.5
349.10608	3.4
367.11829	75.7
368.12262	8.2
385.05630	1.5
385.12848	40.3
386.13184	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	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03574	2.4
57.03442	5.3
59.01377	15.4
61.98831	3.9
68.08871	2.4
69.42258	12.3
69.42664	4.0
71.01382	11.3
71.45750	2.1
72.48949	3.0
72.99308	3.1
85.02950	61.6
87.00838	3.2
89.02448	6.4
111.00858	3.6
118.03014	3.0
119.05026	100.0
120.05344	2.6
121.02956	4.2
129.01923	5.0
134.03674	3.4
135.04489	3.2
144.04588	4.2
147.03038	5.4
149.02446	3.1
152.08276	2.6
155.25310	2.4
162.05594	2.8
163.04010	97.9
164.04385	3.6
174.01714	6.3
179.03377	2.6
183.71294	2.1
188.03574	3.1
191.01978	16.0
191.05574	2.6
193.05128	2.6
209.03024	5.7
223.04555	6.1
325.09308	3.3
363.97433	2.5
385.11465	6.6
386.11142	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.5
59.01381	26.0
67.01888	1.8
68.99826	2.2
69.03458	1.9
69.62824	5.9
71.01382	24.1
72.99308	4.1
73.02963	2.3
73.41934	1.1
75.00872	16.0
83.05029	1.3
85.02945	28.1
87.00867	10.0
89.02455	7.2
91.05530	20.7
95.01392	5.1
99.00874	10.3
103.00352	2.0
111.00900	1.8
113.02447	32.8
114.02795	1.4
115.00370	2.4
117.01946	3.4
117.03456	4.4
121.02969	2.2
129.01938	2.9
135.04495	9.7
153.09280	1.3
153.29199	1.3
157.01414	1.4
175.02452	1.6
181.08847	1.5
205.05060	1.7
223.08385	1.3
231.04951	1.4
249.06140	34.6
267.07193	100.0
268.07559	6.8
325.12958	2.7
343.13986	2.1
356.25671	1.3
385.11420	30.7
386.11621	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	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64877	0.6
55.01878	1.0
57.03437	3.6
58.00585	0.8
59.01378	27.3
60.71178	0.7
61.98830	14.0
67.01893	1.1
68.99811	1.7
69.03450	1.4
69.21056	1.8
69.21455	6.7
71.01379	28.0
72.99294	6.6
73.02937	3.1
75.00873	21.1
81.03435	0.9
83.01384	2.6
85.02944	29.9
86.03244	0.9
87.00873	11.2
89.02454	9.1
91.04018	1.0
91.05527	21.2
91.06057	1.6
92.05869	1.2
93.03457	1.1
95.01384	6.6
97.37571	0.8
99.00875	11.0
101.02428	2.8
103.00374	2.4
105.17570	0.8
112.01608	1.0
113.02448	38.3
115.00357	1.1
117.01929	3.3
117.03471	4.6
119.03491	1.2
121.02913	0.9
129.01936	3.2
131.03546	0.8
134.03754	1.1
135.04529	12.8
137.02422	1.2
149.02405	1.6
153.09230	1.2
157.01370	1.6
164.04784	1.7
166.18706	0.7
175.02477	2.9
181.08681	1.7
188.26877	0.8
190.02673	0.8
193.05122	0.8
205.05101	1.1
205.07092	2.0
205.12282	2.1
207.05106	1.5
223.06148	2.5
231.05115	1.8
249.06142	39.4
250.06421	1.5
267.07190	100.0
268.07587	5.7
295.08133	0.9
325.09372	1.4
325.12869	3.5
385.11359	40.4
386.11642	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06326	0.7
59.01381	7.2
61.98827	1.5
69.36362	5.9
71.01374	5.0
73.02951	2.2
75.00877	0.7
83.01392	0.8
85.02953	3.0
89.02456	2.0
91.01919	0.8
92.55355	0.8
101.02437	4.3
113.02444	2.9
119.01397	2.0
119.03508	0.7
132.02132	1.3
133.02954	30.0
134.03783	1.5
135.04530	7.7
136.04778	0.7
139.30588	0.6
147.00842	1.3
149.02475	1.8
157.44986	0.8
161.02437	100.0
162.02800	4.6
164.04779	3.1
175.00343	10.8
175.03961	1.1
179.03459	3.6
190.02705	30.7
191.03288	1.4
193.04996	0.9
205.05045	41.9
206.05475	2.2
221.08107	1.0
223.06122	7.2
247.06122	3.0
265.07220	1.9
267.07169	2.8
385.11380	58.8
386.11780	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38847	1.0
57.03454	1.9
59.01382	7.3
64.26930	1.1
69.77036	5.7
69.94973	1.1
71.01382	5.7
72.99306	3.3
73.02934	4.4
75.00876	3.9
81.25690	1.2
83.01375	2.7
85.02950	12.7
86.71143	1.1
87.00871	4.7
99.00842	1.3
101.02418	2.3
113.02491	1.8
115.00374	7.5
119.05035	1.6
129.01926	1.1
133.02959	3.4
134.03722	3.4
135.04538	1.9
137.02409	1.5
141.01955	1.3
141.28012	1.1
147.03062	1.4
149.02470	1.6
161.02432	11.7
163.03976	7.1
164.04776	2.1
174.01672	58.7
175.00407	2.6
175.02415	7.1
175.03897	2.0
179.03516	3.5
179.07076	1.2
190.02708	8.0
191.01811	2.3
193.05029	3.7
205.05032	10.6
209.08183	3.5
221.07999	1.2
223.06160	2.2
239.09166	1.5
247.06285	1.8
251.09140	1.6
265.07129	1.6
267.08670	3.4
295.08170	8.2
325.09250	14.2
365.41290	1.0
385.11371	100.0
386.11685	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	383.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	68.8
69.93818	5.2
69.94199	1.9
71.01376	2.1
71.05016	2.1
73.02945	7.2
89.02429	1.8
98.20007	1.4
101.02433	2.2
113.02435	1.8
237.22255	4.8
281.21164	1.6
283.22806	7.3
297.24380	3.0
309.24466	1.6
311.22229	4.6
321.27914	3.0
323.25900	43.3
324.26312	5.2
325.18503	1.3
327.25311	2.7
339.25342	2.8
341.10687	2.0
341.26932	100.0
342.27289	11.9
347.25540	5.0
365.26895	17.8
366.27145	2.0
383.07593	2.9
383.27902	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1346
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
53.13778	0.1
53.74545	0.2
59.01381	0.8
61.18748	0.2
61.65854	0.2
65.03965	0.4
69.30269	1.5
71.01382	0.6
89.02427	0.4
93.03455	56.9
94.03784	2.0
101.02467	0.3
101.62109	0.2
107.94867	0.2
125.02473	0.2
137.02438	100.0
138.02777	3.9
138.03865	0.2
161.02560	0.2
165.01918	0.4
170.52039	0.2
217.08701	0.4
329.16556	0.2
339.05103	0.2
383.04028	0.3
383.13458	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	383.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80753	1.2
59.01379	1.8
66.14644	1.2
67.66718	1.0
71.01373	2.1
71.50341	1.1
73.02957	1.0
78.18804	0.9
82.59400	1.0
85.02953	10.4
87.00877	1.8
89.02420	1.2
93.03448	1.8
106.99244	1.0
111.00916	1.2
111.04499	1.2
127.04007	2.4
191.05612	100.0
192.05917	4.3
216.46355	1.2
286.46088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0982
Annotation	Isofraxidin glucoside
Peak:m/z	Relative Intensity
59.01380	7.7
60.18585	0.6
61.98832	0.8
69.55336	3.4
71.01356	3.5
73.02950	0.9
75.00867	13.5
85.02946	2.4
86.95710	0.6
87.00873	1.5
89.02442	1.6
93.03437	1.6
94.70045	0.6
101.02435	2.0
109.02979	1.2
113.02483	1.2
117.03442	5.2
119.05026	87.9
120.05384	3.1
121.02964	0.7
125.02428	1.4
133.02965	2.6
134.03714	1.5
135.02992	2.4
135.04510	4.5
137.02493	1.2
143.03688	0.6
145.02953	100.0
146.03302	5.8
150.43715	0.6
161.02423	7.0
163.04004	73.8
164.04326	3.7
177.01831	0.7
177.04044	2.8
177.05534	1.5
179.03473	5.6
191.05627	1.1
193.05002	0.8
203.03474	2.2
205.05095	1.3
221.04549	45.9
222.04863	2.3
236.11993	0.9
237.06117	0.8
237.12366	1.2
325.09195	4.5
383.09851	30.4
383.17981	1.2
384.10266	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	383.083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87211	1.2
59.01384	2.1
70.63073	3.3
77.66552	1.1
85.02957	7.6
87.45962	1.1
88.95780	1.1
93.03474	1.9
94.47369	1.2
100.91600	1.3
109.73930	1.2
127.04048	1.4
134.75076	1.2
152.66275	1.1
191.05603	100.0
192.05956	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	383.0771
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
53.45073	0.8
59.01388	8.2
71.01389	2.2
73.02947	1.0
85.02949	1.0
87.00901	1.1
89.02438	2.2
90.98645	0.9
93.03446	0.9
98.20649	3.4
101.02444	2.2
113.02440	1.9
115.58674	1.0
119.04966	0.9
121.02956	100.0
122.03254	4.3
145.02884	1.5
147.04483	1.6
149.02405	2.5
167.05620	1.1
167.93544	1.0
173.02460	1.6
175.77672	0.9
177.62527	0.9
179.05537	1.0
181.06607	5.1
191.03511	10.4
192.03963	1.0
225.05605	8.1
229.53888	1.3
251.07098	3.0
267.06631	1.3
295.02826	1.0
295.06052	12.1
296.06152	1.1
311.09256	15.3
313.07172	17.0
314.07471	2.2
318.25494	1.0
323.09824	1.8
339.08713	14.2
340.09268	1.1
341.10840	2.7
354.07394	1.3
355.08151	4.1
383.07693	45.3
383.26031	3.3
384.08139	6.5
399.18396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
79.53178	2.2
80.52377	2.7
87.00898	3.1
89.36509	2.0
98.20631	8.7
100.33926	2.7
101.02489	3.2
113.02454	3.0
121.61961	2.0
131.31998	2.7
146.46466	3.6
182.49353	2.4
320.65656	2.4
383.07693	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
57.50158	0.8
59.01102	1.5
59.01376	15.6
61.71001	0.9
68.99831	0.9
70.05109	0.9
71.01378	10.7
71.51823	1.2
72.99304	3.5
73.02940	2.4
75.00874	19.5
78.49374	0.9
83.01357	1.1
83.05035	2.5
84.05358	0.9
85.02946	5.1
87.00871	16.4
89.02450	5.3
95.01394	1.2
101.02441	6.1
106.38105	0.8
107.01361	1.1
109.03010	1.3
111.04527	1.1
113.02457	4.1
115.05511	5.1
116.05095	1.7
117.01919	1.2
119.03549	1.9
119.05030	3.4
125.02447	3.4
127.04014	3.8
128.04314	1.4
130.06635	7.2
132.04558	25.4
133.02963	2.9
133.04877	1.2
135.03011	1.5
135.04509	8.0
135.05232	0.8
137.02475	1.4
144.04456	1.5
145.02959	3.1
146.06161	1.4
149.02422	1.4
150.02875	1.0
155.03505	3.0
156.03897	1.4
157.05321	0.9
158.06110	100.0
159.06473	5.6
161.02467	8.8
161.04559	1.0
163.04010	4.4
163.07582	1.1
169.01485	1.3
174.05621	2.7
175.02466	1.0
175.03975	1.0
177.04036	2.2
179.03491	7.7
191.05667	1.1
199.51149	1.1
200.02806	1.1
200.04437	1.2
202.05095	36.3
203.05350	2.2
203.10814	1.7
212.04544	0.9
217.03540	2.5
218.03983	2.1
220.06169	9.3
221.04462	1.1
221.11803	1.9
237.06113	8.6
249.06079	10.1
262.07162	1.7
275.01974	1.2
301.00150	1.7
317.71103	0.9
382.11426	50.8
383.09918	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.3
57.03452	3.3
58.00591	1.3
59.01379	30.6
60.01714	0.5
61.62813	0.3
68.99809	0.4
69.03455	0.9
71.01382	40.6
71.05014	0.5
72.01711	0.5
72.99306	3.5
73.02945	19.8
73.06590	0.3
75.00881	1.2
81.03431	0.5
83.01387	14.8
83.05028	1.8
84.01698	0.5
85.02950	22.5
86.00082	0.7
86.03246	0.4
87.00887	2.3
89.02441	5.5
95.01395	2.9
97.02966	2.1
98.20616	0.6
99.00880	6.9
101.02441	46.6
102.02782	1.2
103.04015	1.7
111.00874	1.8
111.04547	1.8
113.02450	17.9
113.91560	0.3
114.02841	0.4
114.59959	0.3
115.04002	1.5
119.03512	1.7
119.04950	0.3
120.18990	0.3
123.00884	0.3
125.02448	2.4
127.04010	3.1
129.01935	1.0
129.05603	0.5
131.03494	0.4
137.02470	0.5
139.00352	0.3
143.03490	2.3
145.05072	0.9
155.03458	2.2
156.65457	0.3
159.02988	3.7
160.94319	0.3
161.04552	19.1
162.04865	0.7
162.09132	0.3
163.06107	1.0
170.68947	0.3
177.01909	0.6
191.05614	0.8
196.06430	0.3
199.02454	1.5
199.03998	0.6
203.15750	0.3
205.03531	0.7
209.03795	0.3
217.03502	3.1
219.03017	0.4
220.06116	0.3
229.07166	1.2
235.11855	100.0
236.12213	5.8
247.08179	0.9
279.10910	0.5
381.17633	29.9
382.18027	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	381.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.8
57.03442	3.8
57.28282	0.8
58.00602	1.3
59.01378	32.1
64.70019	0.8
69.03455	1.6
69.44183	0.7
71.01381	53.4
71.28895	0.7
71.51683	0.8
72.01693	1.2
72.99301	2.9
73.02946	29.4
75.00867	1.3
81.03456	0.9
83.01390	12.2
85.02950	28.1
85.06602	0.7
86.00098	1.6
87.00871	3.3
87.08168	0.9
89.02441	9.4
95.01390	3.6
97.02960	2.1
99.00878	12.1
101.02441	54.9
102.02789	1.3
105.01933	1.3
111.00905	1.1
113.02451	22.0
115.04005	2.4
125.02444	4.8
127.03987	1.3
129.01952	2.0
131.03481	3.0
135.98560	0.8
143.03464	2.8
145.02899	1.0
149.02429	0.8
149.04486	1.3
155.03531	1.5
159.03035	4.4
161.04556	20.9
162.04892	0.9
169.01407	1.2
170.82297	0.8
191.05470	1.6
214.39096	0.9
217.03447	1.4
229.01012	0.8
233.06711	2.4
249.13414	100.0
250.13777	5.7
293.12466	1.0
314.81540	0.8
381.17630	92.2
382.17886	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	379.2851
Annotation	Persin
Peak:m/z	Relative Intensity
59.01368	2.0
61.98818	2.5
71.51393	0.7
89.06849	0.7
99.92577	1.7
100.81311	0.8
104.63078	0.7
115.92060	1.4
116.92842	3.4
136.56532	0.6
162.06584	0.7
164.93498	0.7
203.64197	0.7
214.11597	0.7
216.74855	0.7
242.32274	1.0
279.23233	1.4
347.25870	7.6
348.26498	1.0
349.27518	0.8
379.28513	100.0
380.28860	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	380.1562
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
52.66360	0.7
57.08583	0.6
59.01379	22.0
61.98812	2.7
63.73653	0.7
65.23977	0.7
71.01382	34.1
71.05017	6.9
71.52242	1.0
72.01709	0.9
72.99289	2.2
73.02945	2.3
75.00865	1.5
76.57889	0.7
83.01377	2.0
83.05028	1.6
85.02969	4.2
86.39601	0.7
87.00899	2.2
88.04032	5.4
88.82470	0.8
89.02448	11.5
90.02721	0.7
95.01367	1.8
97.93507	0.7
99.00884	1.1
99.04539	1.7
99.92564	1.0
101.02431	9.1
111.04490	0.8
113.02448	5.3
115.92058	1.3
116.07151	1.3
116.92881	2.9
119.03490	3.1
125.02421	1.8
127.04007	2.4
128.07173	2.1
128.40256	0.7
129.01953	0.8
129.05608	2.1
131.07130	1.1
137.02432	1.6
146.08228	58.0
146.31367	0.7
147.08588	1.1
155.03484	2.0
155.13805	0.7
156.45622	0.8
161.04536	1.7
169.15656	0.8
172.66510	0.8
217.03534	2.1
218.10309	0.9
249.06158	1.3
263.11340	1.2
275.01611	0.8
308.13583	6.1
337.39948	0.8
362.14667	1.4
380.15622	100.0
381.16046	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	379.1608
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.74817	1.3
55.01855	4.0
55.80752	1.3
56.89734	1.4
57.03428	3.1
58.00580	3.3
59.01376	96.5
65.11242	1.4
69.03452	2.3
71.01379	78.2
72.99300	2.9
73.02940	24.1
74.99089	1.5
75.00852	2.8
75.76424	1.4
83.01370	5.5
85.02941	21.0
87.00870	4.2
88.02235	1.4
89.02444	100.0
90.02765	2.0
92.27435	1.4
95.01366	5.5
97.02943	4.8
99.00872	21.4
101.02438	49.7
102.02786	2.2
113.02456	23.7
115.03975	2.4
119.03501	17.4
125.02451	7.6
125.09712	1.3
131.03496	18.6
135.02962	2.0
143.03464	5.5
149.04549	43.4
151.03987	2.2
159.03062	2.0
161.04582	13.9
179.05629	10.9
191.05595	11.2
195.04922	1.5
196.78314	1.7
199.09612	1.8
201.11292	12.2
209.11743	4.7
225.14882	2.0
233.06599	2.9
247.11868	25.0
248.12088	1.9
251.07675	3.5
261.13400	2.0
379.15869	56.8
379.19830	9.3
380.16098	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	379.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.2
65.00303	2.8
68.99797	1.5
69.25061	4.3
69.25484	6.6
71.01364	1.5
72.99358	1.1
74.97682	1.3
75.00881	2.5
77.87810	1.2
98.76652	1.2
99.00891	2.0
106.63961	1.1
108.02208	1.4
115.01893	3.7
123.00859	3.1
131.01295	2.3
132.02150	8.6
133.02954	2.3
136.51088	1.2
143.01398	10.7
145.02901	2.3
147.00870	3.0
148.01698	11.8
149.02417	2.8
151.00430	1.6
159.00917	8.0
159.04524	1.1
160.01649	16.5
161.02443	7.9
163.00357	3.1
163.03993	2.2
171.00883	4.8
172.01512	1.3
173.02446	3.5
175.00328	1.8
175.04004	4.0
176.01169	9.0
177.01915	7.7
187.00346	10.7
188.01126	11.8
189.01910	5.0
189.99152	1.3
190.99811	1.8
191.03526	3.1
192.03513	1.2
199.00391	3.6
201.01891	1.8
202.99843	5.5
203.03505	4.4
204.00620	21.4
205.01389	15.1
206.99318	4.1
214.99849	21.8
216.00630	23.7
217.01477	7.6
217.03427	2.0
217.98569	2.0
219.02957	5.1
220.03746	4.1
226.99884	1.5
229.01460	2.1
230.99327	4.7
231.02954	4.7
232.00114	14.6
233.00812	2.0
242.99335	19.1
244.00093	13.3
245.00864	5.4
247.02472	4.9
248.03117	2.5
258.98828	5.1
259.99677	7.9
261.00354	1.6
263.01923	10.9
264.02670	13.4
270.98828	14.8
271.99344	2.2
275.01920	12.4
275.99075	1.9
276.02762	1.4
291.01520	3.8
302.00436	1.8
303.01447	100.0
304.01849	8.3
319.00974	9.2
320.01581	1.8
335.04074	3.9
347.00418	71.7
348.00708	4.3
351.03525	2.1
361.01923	5.2
379.03067	64.1
380.03519	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	378.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.5
61.98828	100.0
69.54712	8.2
69.92706	1.3
76.84904	1.4
92.13055	1.3
93.20324	1.4
114.48952	1.3
174.97850	1.6
183.04362	1.6
197.02274	1.3
209.68953	1.4
221.04292	1.5
227.03471	5.2
237.56844	1.3
255.02922	7.6
279.68588	1.3
280.05942	1.5
281.06058	1.6
283.02475	15.4
290.07864	1.5
315.05099	12.6
377.23322	2.8
378.23721	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	378.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17604	1.6
56.59891	1.6
59.01382	25.0
61.98831	100.0
70.93020	3.6
71.01377	11.4
73.71149	1.6
77.06149	1.9
85.02982	2.1
87.00881	4.1
89.02455	10.2
95.01377	2.9
101.02441	6.7
107.01365	2.2
109.02953	16.9
113.02454	5.3
114.05594	4.8
119.03534	3.0
123.00875	3.4
125.02453	4.6
135.02971	2.1
137.62160	1.8
152.01134	3.8
153.01936	49.5
156.06633	5.3
169.01381	3.2
177.81143	1.7
195.02988	15.0
224.44357	1.6
247.02515	4.7
255.05048	5.6
300.99792	2.8
315.07211	80.5
316.07574	4.8
341.10919	6.4
342.11163	6.4
378.08728	4.1
379.08459	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	377.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93644	0.9
56.04585	0.9
57.03451	1.1
59.01374	6.7
69.03446	1.4
71.01385	3.5
71.53096	1.7
73.02946	1.1
75.00877	3.2
77.03953	1.4
85.02951	2.3
87.00882	1.6
93.03437	2.7
95.01389	1.6
95.05055	1.5
99.00979	1.1
100.03537	0.9
101.02459	1.5
105.01943	1.4
121.02963	8.7
122.03703	3.6
125.02438	1.2
129.01930	1.9
134.03677	1.0
135.04492	0.9
137.09756	0.9
139.00450	1.0
141.96729	0.8
149.02441	100.0
150.03236	27.3
151.03519	1.4
155.10803	8.5
164.04791	17.8
165.05588	22.4
166.06248	2.8
167.07143	4.9
169.01331	1.1
177.04028	13.1
180.04311	2.2
181.08672	2.1
182.15761	0.9
187.07622	3.6
189.05528	1.4
195.06598	12.2
199.09764	4.0
257.08197	2.0
273.07651	1.5
283.09741	3.4
285.11462	1.0
314.11597	32.8
315.11810	1.8
329.13928	85.1
330.14313	8.9
333.09854	1.8
341.10925	1.3
359.13602	2.2
377.14459	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	377.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28012	1.2
57.03432	2.3
58.76597	1.1
59.01386	7.1
61.41541	1.1
62.39678	1.1
68.23495	1.2
69.03448	1.6
71.01380	5.1
71.53165	1.3
72.99308	2.3
75.00864	8.5
75.59560	1.1
85.02947	6.1
87.00893	2.4
87.44888	1.1
89.02454	1.9
93.03451	3.4
97.02950	2.5
101.02456	1.7
113.02391	1.7
121.02947	8.5
122.03718	3.6
125.02495	1.5
129.01900	4.1
132.02155	1.7
133.02950	2.2
135.04475	1.3
137.09711	2.1
141.01840	1.6
147.04453	1.4
149.02437	100.0
150.03235	29.0
155.10767	17.8
164.04805	16.5
165.05562	27.0
166.06316	2.9
167.07117	6.2
177.04062	21.1
187.07625	3.5
189.05586	2.5
195.06653	14.5
196.06856	1.7
199.09746	5.1
200.04674	1.3
231.10336	1.4
235.86835	1.2
257.08228	1.3
271.09775	1.2
283.09644	4.4
285.11075	1.8
314.11584	36.1
314.41168	1.2
315.11942	3.8
329.13922	94.8
330.14227	8.5
333.09796	2.7
359.13403	3.0
377.14481	25.0
377.21713	1.3
378.14810	2.8
390.89545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76683	0.9
57.03456	7.3
59.01380	61.2
64.87654	1.0
67.05527	1.7
69.03457	18.1
71.01381	19.8
72.99303	4.3
73.02938	4.2
75.00877	28.5
83.01385	2.9
83.04996	1.3
85.02952	17.3
87.00875	11.2
87.04514	1.3
89.02455	9.2
95.01378	2.4
97.02950	2.7
99.00869	7.6
101.02433	5.3
103.63347	1.0
107.01356	1.5
111.00877	3.3
111.04540	4.9
113.02438	2.4
115.04008	1.0
119.03450	1.5
119.08659	1.7
123.00871	4.5
125.02447	6.0
126.40382	1.1
129.01941	19.2
129.05566	2.1
131.03537	1.1
135.02992	4.1
135.04530	1.5
137.02411	1.3
137.09724	1.3
139.07640	1.1
141.01917	3.9
145.02969	2.9
151.04002	1.5
153.09192	4.0
155.10706	1.5
159.02995	7.1
159.04218	1.4
161.02432	1.4
163.00409	1.2
163.03989	1.4
166.99921	1.1
169.01413	5.3
171.10283	3.9
173.02441	1.9
175.03992	1.1
177.04041	100.0
178.04364	2.8
179.03461	2.0
181.08681	1.6
185.08136	2.8
189.01881	2.0
190.02820	1.7
191.03543	3.2
195.05074	7.9
197.08243	3.7
197.11882	1.4
199.09746	28.1
199.41811	1.0
200.10083	1.8
201.02040	1.3
203.03468	2.9
215.03485	2.3
215.09232	5.3
217.01282	2.3
219.03056	1.6
219.05081	2.6
221.04601	1.5
229.01328	3.1
231.02913	1.6
237.06091	2.0
243.02975	1.6
247.02504	5.6
249.04041	1.9
257.00980	2.7
259.11911	9.5
261.00525	1.3
273.00375	1.8
275.02032	3.6
280.32571	1.0
287.03070	1.1
300.99799	7.2
301.03030	2.8
302.00302	1.2
302.94095	1.1
315.52890	1.4
316.03375	1.7
317.19766	6.4
335.20712	11.1
341.11002	2.4
349.29150	1.2
359.13327	1.4
377.03546	3.5
377.09274	2.7
377.14487	73.0
377.21484	7.6
377.53311	1.7
378.03998	4.1
378.08835	0.9
378.10449	1.1
378.14764	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	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76683	0.9
57.03456	7.3
59.01380	61.2
64.87654	1.0
67.05527	1.7
69.03457	18.1
71.01381	19.8
72.99303	4.3
73.02938	4.2
75.00877	28.5
83.01385	2.9
83.04996	1.3
85.02952	17.3
87.00875	11.2
87.04514	1.3
89.02455	9.2
95.01378	2.4
97.02950	2.7
99.00869	7.6
101.02433	5.3
103.63347	1.0
107.01356	1.5
111.00877	3.3
111.04540	4.9
113.02438	2.4
115.04008	1.0
119.03450	1.5
119.08659	1.7
123.00871	4.5
125.02447	6.0
126.40382	1.1
129.01941	19.2
129.05566	2.1
131.03537	1.1
135.02992	4.1
135.04530	1.5
137.02411	1.3
137.09724	1.3
139.07640	1.1
141.01917	3.9
145.02969	2.9
151.04002	1.5
153.09192	4.0
155.10706	1.5
159.02995	7.1
159.04218	1.4
161.02432	1.4
163.00409	1.2
163.03989	1.4
166.99921	1.1
169.01413	5.3
171.10283	3.9
173.02441	1.9
175.03992	1.1
177.04041	100.0
178.04364	2.8
179.03461	2.0
181.08681	1.6
185.08136	2.8
189.01881	2.0
190.02820	1.7
191.03543	3.2
195.05074	7.9
197.08243	3.7
197.11882	1.4
199.09746	28.1
199.41811	1.0
200.10083	1.8
201.02040	1.3
203.03468	2.9
215.03485	2.3
215.09232	5.3
217.01282	2.3
219.03056	1.6
219.05081	2.6
221.04601	1.5
229.01328	3.1
231.02913	1.6
237.06091	2.0
243.02975	1.6
247.02504	5.6
249.04041	1.9
257.00980	2.7
259.11911	9.5
261.00525	1.3
273.00375	1.8
275.02032	3.6
280.32571	1.0
287.03070	1.1
300.99799	7.2
301.03030	2.8
302.00302	1.2
302.94095	1.1
315.52890	1.4
316.03375	1.7
317.19766	6.4
335.20712	11.1
341.11002	2.4
349.29150	1.2
359.13327	1.4
377.03546	3.5
377.09274	2.7
377.14487	73.0
377.21484	7.6
377.53311	1.7
378.03998	4.1
378.08835	0.9
378.10449	1.1
378.14764	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	377.1449
Annotation	Abafungin
Peak:m/z	Relative Intensity
57.03436	6.5
59.01378	14.2
60.57437	1.1
68.99806	2.9
69.03455	6.5
71.01374	16.0
71.53319	1.4
72.99306	2.9
75.00465	2.1
75.00871	26.8
83.01369	1.5
84.02137	1.4
85.02444	2.0
85.02943	17.6
87.00874	15.0
89.02443	4.4
97.02956	6.0
99.00869	7.4
101.02421	3.7
111.00900	2.2
113.02438	2.4
121.02973	1.3
122.03778	1.4
123.82861	1.3
125.02504	1.8
129.01927	14.3
137.09695	6.4
141.01929	6.4
149.02438	10.6
150.03207	13.9
155.10771	53.0
159.02965	3.8
164.04774	2.4
165.05539	15.4
166.06099	1.1
169.12273	3.2
177.04034	79.9
178.04411	2.8
181.08765	1.7
182.76701	1.1
187.07622	4.9
195.05128	8.3
195.06505	7.5
199.09750	27.9
200.10141	2.0
241.10820	3.5
244.40387	1.2
245.30385	1.3
257.08206	1.6
301.13013	1.7
329.13974	6.4
359.13504	15.4
360.13553	1.5
377.14487	100.0
378.14792	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75743	1.0
59.01380	100.0
60.01702	1.6
60.38467	0.9
63.25580	1.0
71.01369	3.5
71.30034	1.1
74.36947	1.1
78.38943	1.0
85.02965	1.5
93.29652	0.9
101.02426	2.8
113.02428	1.1
161.04514	1.8
230.01601	1.1
319.66376	1.0
375.27383	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15046	0.4
59.01379	100.0
60.01722	1.3
62.42971	0.4
70.55829	0.5
71.01385	3.1
85.02955	1.0
98.20751	0.9
101.02457	1.8
101.53578	0.4
113.02516	1.5
119.01305	0.4
119.03466	0.5
139.38788	0.4
161.04590	2.8
165.04118	0.4
178.18349	0.4
183.13864	0.7
229.26360	0.4
298.06125	0.5
315.18152	1.2
359.22110	0.5
375.27502	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03442	0.9
57.49701	0.4
58.00592	2.2
58.94662	0.4
59.01377	53.1
60.01697	0.7
69.20131	1.1
69.20553	2.9
70.44019	0.4
71.01377	27.9
72.01740	0.6
72.99313	2.2
73.02953	1.3
74.12892	0.4
75.00874	3.5
78.57471	0.5
83.01386	2.0
85.02949	6.5
87.00882	1.0
89.02438	22.7
90.02722	0.5
95.01408	2.2
95.92416	0.5
98.19931	0.8
99.00898	1.1
101.02437	16.3
113.02443	9.9
118.96753	0.4
119.03491	8.2
129.01935	0.9
147.02966	1.9
147.67926	0.5
147.69164	0.4
159.53133	0.4
162.08044	0.5
165.04027	3.8
165.12819	3.0
183.13882	12.9
184.14186	0.6
195.13884	11.5
196.14316	0.5
213.14896	4.3
220.65279	0.4
227.12872	7.5
325.85547	0.6
357.19214	1.0
375.20224	100.0
376.20612	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97476	0.9
55.10023	0.7
60.94262	0.8
67.23901	0.9
74.99076	2.7
101.21384	0.8
133.20538	0.7
143.05312	0.8
145.38046	0.9
159.08469	10.4
161.06372	3.1
209.01202	3.3
217.07217	1.3
275.05914	1.6
275.09094	0.8
277.07486	2.5
289.07520	2.6
291.09085	98.8
292.09195	13.2
357.13864	2.2
359.15326	100.0
360.15479	14.1
375.18533	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	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
69.60999	1.0
69.61411	3.3
74.99079	2.6
91.40214	0.6
93.38088	0.7
112.08391	0.6
117.21968	0.7
143.05305	1.1
159.08470	11.4
160.08701	0.7
161.06419	2.1
209.01277	2.7
217.07202	1.6
223.93993	0.7
253.00529	0.7
275.06027	1.2
277.07489	2.3
289.07547	1.5
291.09100	95.9
292.09241	12.3
357.13867	1.6
359.15326	100.0
360.15515	18.0
375.18503	8.3
376.18658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
59.01377	9.9
64.24809	0.4
67.01891	0.6
70.01501	0.4
71.01369	4.7
71.01996	0.6
72.99305	3.2
73.02930	0.8
75.00871	26.0
83.01384	1.8
85.02945	3.6
87.00878	1.1
89.02455	1.3
99.00883	1.5
101.02416	1.2
111.00903	2.5
111.08155	1.9
112.58215	0.4
121.05055	0.4
124.24457	0.4
129.01936	4.8
147.02995	18.1
165.04041	11.0
165.12842	26.2
166.04355	0.5
166.13184	1.5
183.13887	100.0
184.14241	5.7
197.15460	1.0
209.11812	5.2
213.14891	0.6
218.41034	0.4
227.12871	66.5
228.13213	4.0
295.15509	0.5
345.07480	0.5
357.15497	2.4
375.16528	65.1
375.20023	3.2
375.26935	1.4
376.16888	6.1
376.21100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03449	0.8
59.01387	1.3
71.01382	3.1
75.00878	2.5
78.72890	0.5
87.00874	1.8
89.02445	1.3
98.19865	1.3
99.00884	3.7
101.02445	1.2
105.01938	1.3
111.08156	1.9
129.01920	1.3
135.03047	0.6
142.23405	0.5
146.89668	0.5
147.02985	3.7
165.04034	8.3
165.12846	26.1
166.13120	1.2
173.88641	0.5
183.13893	100.0
184.14214	6.3
195.13928	0.9
209.11806	1.9
213.14993	4.1
223.54248	0.6
227.12875	97.7
228.13193	5.5
261.57776	0.5
373.25867	0.6
375.16537	20.7
375.27463	8.7
376.16858	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	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	2.2
59.01374	6.3
61.98811	1.4
71.01376	4.8
83.01401	1.0
85.02950	2.1
87.00874	4.9
89.02454	1.9
89.42374	0.9
93.47584	1.0
95.01362	1.1
101.02435	1.0
113.02459	1.3
117.03457	1.0
121.02927	4.3
124.15520	0.9
125.02454	2.2
137.02420	1.3
145.02928	3.2
147.04507	1.4
149.02435	38.6
150.03233	51.2
151.03546	1.3
153.05502	1.0
161.02475	4.5
161.04555	3.8
162.03189	4.7
163.03915	1.4
164.04793	19.7
165.05565	100.0
166.05882	5.6
169.01389	2.2
177.05595	2.3
180.04274	2.8
180.30836	0.9
195.06627	26.1
295.18439	1.0
316.69711	1.1
327.10883	3.6
345.23209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2593
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03454	2.3
58.95906	0.2
59.01373	2.3
65.88094	0.2
66.74097	0.3
67.29963	0.2
69.03439	0.6
69.36718	2.2
71.01375	0.5
73.02943	1.1
83.01408	0.2
83.05044	0.4
85.02935	0.4
89.02412	0.3
97.06587	0.4
97.78559	0.3
101.02445	0.4
111.08148	0.6
113.06083	0.4
123.08160	1.0
125.02393	0.3
125.09724	3.6
127.11255	2.4
137.09700	2.3
141.09186	0.6
143.10745	0.6
151.04024	0.6
153.09265	0.6
153.12778	0.4
155.10768	2.0
161.02621	0.3
163.03938	0.4
163.06062	0.3
171.10263	10.9
172.10645	0.5
183.13879	0.4
185.11816	0.3
201.14972	0.5
204.00639	0.3
229.14450	0.5
230.15289	1.2
327.21765	0.8
343.11966	0.5
343.24994	0.3
355.24905	1.8
371.24307	1.4
373.25922	100.0
374.26276	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	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25987	0.9
56.59589	1.0
57.03439	1.7
57.72400	1.0
57.91703	1.1
58.00583	3.5
58.25601	1.1
59.01377	100.0
60.01721	1.6
69.17568	4.6
69.17991	6.4
71.01381	37.2
72.99303	3.0
73.02950	3.2
75.00857	1.8
83.01382	4.5
85.02949	10.6
87.00863	2.5
89.02444	50.6
95.01387	4.7
97.53529	1.2
99.00867	1.6
101.02438	28.1
108.02187	1.7
109.02972	2.1
113.02447	18.6
119.03505	26.0
121.02950	1.4
123.00893	1.9
123.04517	1.4
125.02403	1.5
131.03497	2.6
134.03708	2.5
136.01604	1.2
143.03477	2.3
145.02966	2.0
146.03714	1.9
147.04466	2.3
149.02498	2.6
149.04472	1.8
150.03194	1.2
151.03972	2.6
161.02377	2.9
161.04535	2.7
162.03198	1.3
163.03946	3.7
164.04785	2.0
165.05579	1.9
179.05566	3.0
179.07039	1.2
191.05403	1.1
193.04868	1.3
193.12325	5.3
207.06604	2.2
211.13292	1.8
241.48723	1.1
254.05807	4.7
255.02875	1.9
255.06465	1.6
268.07117	1.5
269.08136	7.9
270.08807	3.9
283.06033	1.2
284.03387	1.4
284.06949	2.1
284.10242	2.5
285.07443	1.7
298.08487	3.0
299.09222	1.6
299.99136	2.6
313.07422	1.4
313.10785	8.8
328.09360	1.5
331.17563	2.1
343.07751	2.1
343.11841	25.3
344.12357	1.7
358.10629	1.5
373.08939	2.2
373.13004	12.6
373.18573	27.8
373.25882	5.9
374.13199	1.4
374.18784	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	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
51.08865	0.5
55.01860	0.5
58.74955	0.5
59.01380	100.0
60.01709	0.8
69.39400	0.5
69.88992	1.5
69.89408	0.9
71.01383	4.9
72.99289	0.5
73.02956	1.1
73.22892	0.5
75.00874	0.9
83.01430	0.5
85.02966	2.1
87.00909	0.5
89.02438	3.3
91.59717	0.4
98.20628	0.9
99.00847	0.6
101.02450	3.1
103.78474	0.4
107.45970	0.5
113.02475	1.9
119.03535	1.0
119.69206	0.5
135.98473	0.4
143.03484	0.6
161.04594	1.9
176.02002	0.4
181.12363	3.5
185.50397	0.4
195.79593	0.5
227.22101	0.5
256.03183	0.5
269.04596	0.7
331.17664	1.5
373.15256	1.3
373.26010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1864
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	0.9
69.18156	3.6
71.01387	3.8
73.02959	1.2
82.64237	0.3
83.01425	0.6
85.02976	1.3
89.02436	2.6
98.19870	0.8
99.00864	0.6
101.02446	1.9
108.02232	0.4
111.00928	0.3
113.02470	1.4
119.03530	0.9
151.04105	0.5
161.04567	1.3
167.12354	0.4
201.59158	0.3
264.92831	0.3
269.08313	0.4
289.31412	0.3
313.10672	0.8
331.17700	1.0
343.11966	1.2
373.13242	1.0
373.18677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94167	0.5
55.01857	0.4
59.01378	100.0
60.01712	1.0
62.25227	0.4
67.15111	0.5
68.41855	0.5
69.38802	2.9
71.01379	6.7
73.02950	1.9
78.04967	0.5
85.02953	2.5
89.02446	3.2
95.01381	0.8
98.19955	1.1
101.02442	3.3
110.76244	0.4
111.45448	0.5
113.02443	2.9
119.03514	1.3
148.08546	0.5
156.57829	0.6
161.04517	2.6
193.38445	0.5
331.17511	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1297
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.63302	0.3
55.45049	0.3
58.00589	0.5
59.01380	8.8
71.01385	2.8
71.52985	0.7
72.99331	0.5
73.02937	0.7
75.00869	0.8
84.41331	0.5
85.02946	1.1
89.02441	2.1
93.03455	0.9
95.01382	0.9
95.05010	0.5
96.96017	0.4
97.02950	0.4
101.02448	1.8
107.05024	0.4
108.02182	3.7
109.02962	5.9
109.06564	0.4
111.00872	0.7
113.02459	1.2
119.03490	0.9
120.02147	0.4
121.02956	3.7
122.03755	1.1
123.00912	0.8
123.04530	3.1
124.01651	1.4
125.02422	0.6
133.02974	2.4
133.03882	0.4
133.05200	0.3
134.03745	12.5
135.04544	2.4
136.01645	4.2
137.02446	3.4
139.00433	0.4
139.04001	0.6
145.02953	9.2
146.03732	9.6
147.00851	0.4
147.04530	2.2
148.01660	4.0
149.02441	4.2
149.06076	6.8
150.03229	4.6
151.04018	4.3
153.01936	1.2
153.05583	1.8
159.04478	1.0
160.01654	0.7
160.05190	0.4
161.02429	8.8
161.04628	0.6
161.06029	2.7
162.03221	5.9
163.04028	4.9
164.04791	9.3
165.05582	4.0
167.03391	0.5
168.02940	0.7
168.04276	0.6
169.03333	0.7
173.02422	1.3
174.03209	2.4
175.04013	2.5
177.01942	7.2
177.04048	0.7
177.05460	2.9
178.02608	1.5
179.03490	0.8
179.05556	0.4
179.07118	7.7
180.04253	1.5
181.05078	2.2
187.03880	0.6
188.04805	0.7
189.05472	0.8
190.02710	0.6
191.03395	1.7
191.07106	0.7
192.04280	5.4
193.05017	1.7
193.12370	0.9
194.02226	2.0
195.06593	0.9
198.06897	0.7
203.03473	0.8
204.04253	0.8
205.05034	0.9
207.06615	7.0
209.06093	1.1
211.04080	0.6
212.04826	0.4
215.03447	0.4
219.06607	0.7
225.05630	1.7
226.06317	3.5
227.06998	1.3
235.04048	0.8
236.04710	0.4
237.05600	1.9
238.06282	1.6
239.03587	0.5
239.07033	0.9
241.05116	1.5
241.08539	0.4
242.09251	0.5
249.05467	0.5
250.06386	0.8
251.07025	0.6
252.07809	0.5
253.05095	2.2
254.05841	30.9
255.06541	12.8
256.07120	1.4
266.05777	2.0
267.06668	2.3
268.07419	4.2
269.08173	43.5
270.08871	13.7
271.09598	1.8
279.06604	0.7
280.07391	0.5
281.08167	3.2
282.05539	0.5
282.08865	1.2
283.06134	1.6
283.09738	5.9
284.07092	0.7
284.10498	9.8
285.07986	0.7
285.11285	3.8
293.08307	0.4
295.06128	2.5
296.06839	0.4
297.07767	2.4
298.08490	6.9
299.09125	3.1
301.10785	1.4
303.12326	1.2
307.06049	0.5
309.07730	0.9
310.08478	3.3
311.09116	0.8
313.07394	0.9
313.10785	18.5
314.11218	2.4
325.07349	0.6
325.10834	2.1
328.09479	6.7
329.10275	7.2
330.10565	0.6
331.17676	0.8
340.09512	1.1
343.11847	100.0
344.12213	10.7
347.11154	0.4
355.11905	1.4
373.08682	2.8
373.13034	4.8
373.18683	0.8
373.25854	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43543	0.6
52.51118	0.6
57.03444	0.7
59.01379	100.0
60.01719	0.8
65.75783	0.8
67.77134	0.9
71.01380	4.0
72.99316	1.1
73.02943	4.1
75.00875	1.0
83.05067	1.5
85.02957	2.7
87.04532	1.0
91.01916	1.6
93.03428	3.4
95.05043	1.8
97.06579	0.7
101.02464	2.2
104.27036	0.8
107.05004	1.0
109.02958	0.7
109.06632	1.5
113.02457	1.9
118.09217	0.7
119.01385	1.6
120.97574	0.7
121.02972	4.5
125.02500	1.7
129.87212	0.7
137.02443	3.5
149.02422	0.7
151.04010	50.0
152.04382	1.7
153.01959	1.1
159.03012	0.9
161.02521	1.0
161.04572	2.9
163.04102	0.7
188.08701	0.7
193.52943	0.9
195.06718	0.8
200.39619	0.8
213.05579	1.8
218.49580	0.8
225.05579	2.2
239.07104	0.8
241.05089	4.4
253.05104	3.1
256.07449	2.8
268.07455	2.4
271.09796	5.1
283.09940	2.2
301.10773	2.0
313.16501	3.6
331.17603	14.4
331.21387	1.3
332.17963	1.2
355.08289	1.1
373.18591	7.0
374.18958	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44123	0.4
59.01373	3.3
68.23969	0.4
70.99884	1.0
71.01369	0.8
77.97122	0.5
82.00610	0.7
85.02953	1.6
103.66658	0.5
110.00091	7.6
111.00880	0.6
113.02426	1.9
123.00868	0.6
125.02425	5.7
136.01625	0.5
137.99585	9.6
139.00366	6.4
140.01114	0.8
151.00298	0.7
151.03976	0.8
152.01210	2.2
153.01929	100.0
154.02698	8.9
155.03439	1.6
166.02657	1.0
167.03488	7.3
168.04266	49.7
169.05052	22.2
170.05324	0.9
179.03497	0.6
191.03476	0.4
193.05069	1.1
194.02332	0.6
196.03902	0.5
211.06134	0.9
239.08127	0.5
266.78104	0.5
281.06555	0.8
297.38251	0.4
299.07617	0.5
313.74670	0.5
370.88528	0.4
373.07462	0.5
373.11493	1.4
383.59061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71782	6.1
56.71704	6.0
69.24867	60.6
74.59317	6.4
85.76852	6.6
98.19874	12.0
175.08392	7.3
181.84538	5.9
191.05618	100.0
200.08192	6.4
243.54305	6.5
294.09109	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03391	0.6
59.01380	100.0
71.53546	0.7
78.75230	0.7
79.31406	0.6
86.35888	0.7
121.02985	2.8
131.02650	0.7
153.66063	0.7
174.47304	0.6
206.77370	0.8
210.08464	0.6
218.00098	0.7
221.67894	0.6
222.51407	0.6
271.22784	1.1
329.23334	1.0
371.25620	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45138	0.5
53.30126	0.5
55.01877	0.7
58.00592	0.8
59.01380	25.4
61.98822	1.7
70.36415	0.6
71.01380	11.2
72.99299	0.8
83.01376	1.5
84.79871	0.7
85.02941	2.9
89.02450	11.3
95.01390	1.5
101.02444	8.1
108.02173	10.9
109.02953	0.7
110.00082	2.0
111.00901	1.0
113.02438	4.5
119.03516	5.1
121.02972	0.9
122.03759	1.4
123.00891	3.1
123.04532	5.6
124.01653	2.7
125.02464	1.2
134.03722	1.2
136.01666	2.5
137.06094	1.1
137.99586	2.0
139.00343	1.4
148.01726	0.6
149.02431	2.2
150.03226	8.3
151.00383	0.5
151.03819	0.8
153.01929	20.0
154.02496	1.0
161.02402	0.9
165.05617	1.3
167.03444	1.4
168.04272	8.8
169.05055	4.6
175.57809	0.6
177.01938	1.7
178.02715	47.2
179.03087	3.0
193.05055	100.0
194.05368	4.2
211.06186	0.9
212.09741	0.7
283.68420	0.6
302.13177	0.7
373.07431	0.8
373.11459	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	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
57.03444	6.4
59.01381	23.7
67.01879	1.4
67.12848	1.1
68.99819	3.8
69.03455	1.3
69.29195	6.3
69.29626	3.5
71.01380	23.7
72.99316	6.9
73.02950	2.4
75.00873	34.0
79.25630	0.9
83.01378	2.9
85.02947	26.2
87.00871	10.8
89.02461	5.6
93.03477	2.1
95.01394	6.0
99.00892	12.5
101.02483	1.8
103.00374	3.0
111.00909	1.7
113.02453	22.8
117.01974	3.3
121.02961	100.0
122.03288	3.2
129.01938	9.3
134.02744	1.5
134.03749	19.6
147.04659	1.0
147.16006	1.0
149.02448	3.1
150.90028	1.0
157.01445	1.1
159.02966	1.3
164.04788	2.8
165.04031	2.4
175.02512	3.3
175.03957	1.9
177.04047	24.9
186.84311	1.1
193.05072	15.0
194.05331	1.1
195.05109	24.1
220.39825	1.1
223.06085	3.4
231.05093	6.9
249.06145	65.9
250.06467	3.2
264.86194	1.0
339.77295	1.2
353.08875	3.0
371.09821	61.9
372.10245	5.1
385.95673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58743	0.9
57.03446	6.2
59.01376	12.6
65.27461	0.9
68.99830	1.3
69.70135	5.7
71.01379	18.0
72.99300	3.2
75.00871	34.9
83.01369	2.0
84.02158	1.2
85.02942	18.3
87.00876	16.0
89.02433	4.9
89.03956	1.1
89.50201	1.0
97.02953	1.7
99.00876	9.0
101.02447	2.7
111.00876	1.5
113.02449	1.3
117.03483	5.9
126.04442	0.9
129.01938	18.0
134.03741	54.4
135.04105	2.1
141.01956	1.6
142.79089	0.9
149.06044	4.9
159.02948	5.3
160.01631	3.9
164.96085	0.9
175.04022	6.0
176.04794	2.3
177.04036	100.0
178.02780	1.0
178.04396	2.9
179.03210	0.9
183.32782	1.0
187.84296	0.9
191.07169	3.0
193.05051	49.0
194.05414	1.5
195.05090	63.4
196.05452	1.9
209.02858	1.1
223.06129	2.3
235.06046	3.5
285.26294	1.0
295.08194	2.6
353.08798	4.3
371.09805	63.2
372.10220	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	371.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
57.03459	10.8
59.01386	13.7
59.60565	1.1
61.98834	1.7
68.99815	2.1
70.52576	3.5
71.01386	16.8
72.99295	4.3
73.02947	2.5
75.00875	3.3
83.01394	3.3
84.02158	2.4
85.02953	73.6
86.03271	1.2
87.00879	18.4
89.02444	6.8
101.02441	4.2
108.02158	1.8
109.00722	1.2
109.02921	1.7
111.00887	4.7
113.02444	2.3
113.74153	1.2
114.20932	1.1
119.03500	1.6
121.02921	1.9
123.04532	1.5
129.01953	8.5
133.01428	5.4
133.02968	2.5
134.03748	6.7
135.04529	16.0
136.01640	4.3
146.03723	3.3
147.03000	4.9
147.04558	1.5
148.05307	7.9
149.02444	1.2
149.06078	9.1
151.03990	7.6
161.02437	11.9
161.06085	3.9
162.03233	1.7
163.03969	2.2
163.07596	1.4
173.00954	1.0
174.03160	1.4
175.04033	5.8
176.04817	3.4
177.05571	3.8
178.06248	1.4
179.03522	12.9
179.07156	2.0
188.04733	1.2
191.01988	30.1
191.03656	2.6
191.05594	2.8
191.07146	2.6
193.05023	2.7
195.04980	1.2
203.03543	6.1
204.04359	1.4
205.04984	1.7
207.06557	2.1
209.03017	100.0
210.03304	3.1
217.05112	1.4
219.06836	1.5
221.04547	1.9
231.06657	1.4
232.03796	2.7
235.06110	15.9
239.28914	1.2
247.06140	7.0
265.07199	20.2
275.02072	1.8
281.06677	6.5
325.09302	6.2
353.08929	2.5
371.09842	40.6
372.09995	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	369.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
56.89782	0.4
57.03442	1.0
58.76967	0.4
59.01377	6.4
71.01379	4.9
71.53006	0.8
72.99322	1.1
73.02937	1.8
75.00872	5.2
82.59620	0.5
83.01377	1.2
85.02948	5.4
85.17586	0.4
87.72503	0.4
89.02449	1.9
99.00868	0.6
101.02440	3.9
107.10891	0.4
109.02964	1.1
113.02437	1.4
113.15025	0.4
117.03465	22.5
118.03791	0.8
119.05040	6.9
125.02451	0.9
129.02034	0.5
131.03459	0.6
135.02072	0.3
135.02998	15.0
145.02948	100.0
146.03314	5.6
147.04492	0.6
161.02437	1.1
163.04012	10.0
165.05504	0.5
189.01909	0.6
189.05565	1.0
191.01904	1.4
223.04584	1.3
234.41643	0.5
245.01030	0.6
260.82687	0.5
261.00412	1.8
268.83167	0.6
349.44879	0.5
369.11865	36.5
370.12219	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	369.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03447	1.2
59.01376	7.0
59.75208	0.6
68.46397	0.7
71.01379	6.8
71.52192	1.0
72.99304	0.7
73.02943	2.0
79.07521	0.7
83.01412	2.5
83.78755	0.6
85.02953	5.3
87.02314	0.7
89.02473	1.5
90.00851	0.6
93.03461	1.1
93.66801	0.7
95.05016	0.7
97.02950	2.5
101.02444	7.5
105.03500	0.9
109.02940	0.8
113.02459	5.5
125.02433	1.4
132.02167	15.6
133.02965	9.5
134.03754	9.8
135.02995	0.8
135.04405	0.7
137.02448	1.9
141.01944	2.6
147.04486	1.6
149.06079	2.9
160.01660	82.0
161.00774	0.7
161.02095	4.1
162.03105	0.6
165.01921	0.9
175.03999	100.0
176.04321	6.1
177.01907	2.1
178.02733	2.0
179.03497	0.9
193.05032	9.3
193.06934	1.5
207.06563	0.8
207.13893	0.7
225.14920	1.7
303.94397	0.6
354.09418	3.5
369.11890	68.9
369.18564	4.3
370.12299	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39838	1.2
55.01867	4.4
57.03450	16.8
59.01379	19.3
70.84582	3.0
71.01375	11.8
72.42078	1.7
72.99310	2.9
73.02936	2.5
75.00868	3.7
79.95739	8.6
80.96502	3.8
83.01389	9.3
84.02163	2.6
85.02949	100.0
86.03309	2.6
86.81128	1.3
87.00866	3.6
93.03443	5.2
99.00880	1.6
101.02455	10.2
103.00413	1.6
111.00163	2.6
111.00879	36.0
111.01660	1.9
119.05048	9.9
121.40479	1.3
123.04510	2.0
125.02456	2.8
129.01945	33.2
147.02962	4.8
149.02446	1.5
151.04044	3.0
161.02371	1.9
161.04553	2.9
163.03966	9.1
173.04478	2.5
187.97778	5.3
191.03596	1.6
191.05621	3.7
192.00665	1.9
200.98608	6.3
201.99348	3.8
205.03517	35.9
206.03909	1.7
207.02956	2.9
220.79266	1.4
223.04579	99.7
224.04977	3.8
229.98817	2.3
230.99704	13.6
282.52481	1.5
328.55429	1.6
361.62842	1.5
368.98355	2.9
369.02823	40.2
369.07504	2.3
370.03073	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55851	1.7
55.01863	2.2
57.03447	12.7
59.01374	9.9
60.99296	2.4
61.98827	5.6
67.01883	7.9
69.03423	3.0
71.01379	15.0
72.99306	5.3
73.02915	2.0
75.00878	4.0
81.03462	2.9
83.01392	7.8
85.02950	77.8
87.00860	14.3
93.03461	47.2
94.96406	1.8
95.05001	2.2
99.00851	4.5
101.02423	7.7
105.03439	5.3
111.00273	2.4
111.00897	26.0
111.04533	10.0
113.02416	1.9
119.05037	10.7
123.04535	16.1
125.02425	8.1
127.04018	2.8
129.01945	26.6
133.02959	44.5
134.03706	2.1
135.02968	3.0
135.04501	5.7
137.02441	3.0
145.02992	1.9
147.02957	3.5
147.04495	3.1
149.02412	2.7
151.03978	4.6
155.03473	1.9
161.02405	3.4
161.04555	3.0
163.04034	11.8
165.05594	2.4
165.69206	2.3
173.03134	3.1
173.04553	46.3
175.03993	1.9
177.01926	10.1
179.03459	3.0
189.01927	2.8
191.03777	3.4
191.05597	100.0
192.05965	5.9
195.02983	12.0
200.98630	2.5
205.03511	26.0
207.02995	7.9
215.05591	7.3
223.04587	68.9
224.04828	3.1
284.02982	1.7
293.03107	2.4
307.08044	2.2
351.07123	7.4
369.02792	11.5
369.08136	18.7
369.12189	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	368.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03439	1.5
58.00583	1.7
59.01378	36.2
61.98538	1.1
61.98830	16.3
71.01381	22.7
72.99306	2.7
73.02937	1.8
75.00867	0.8
76.77302	0.6
79.95736	1.9
80.96511	2.2
81.03473	0.8
83.01369	2.1
85.02951	14.2
87.00883	2.7
89.02443	32.5
93.03460	2.2
95.01398	1.2
99.00885	1.4
101.02442	14.8
105.00436	0.7
109.02962	1.3
109.09190	0.7
111.00881	2.3
111.04507	1.2
113.02456	8.9
116.05092	3.1
117.05584	1.2
119.03508	14.9
119.05022	1.5
123.04500	2.1
125.02457	2.8
129.01878	3.7
131.03497	1.5
133.02939	2.6
135.04494	0.6
143.03500	2.2
144.04550	100.0
145.02991	0.7
145.04903	5.1
146.06100	1.5
147.03035	0.7
149.02455	2.0
149.04494	1.1
151.04001	3.1
160.04047	0.8
161.02472	0.8
161.04536	2.4
162.04497	0.9
163.03966	2.1
165.01855	0.8
167.03505	1.3
173.04539	1.9
177.01852	0.8
179.05664	3.9
182.15964	0.6
188.03543	4.4
189.03815	0.8
191.05612	23.1
200.98550	1.2
201.99449	1.5
203.03482	0.8
205.03513	3.2
207.03143	0.9
223.04576	6.5
229.01350	1.1
230.99695	10.7
248.77310	0.6
249.06113	0.9
275.01889	0.8
285.00684	0.8
301.00052	1.3
368.03113	1.0
368.09644	5.0
368.52304	0.8
369.02893	10.8
369.08179	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	367.264
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
57.43927	0.3
59.01371	1.1
61.98818	0.8
76.53313	0.3
77.52813	0.3
95.01401	0.3
115.48354	0.3
133.06595	8.5
149.09712	83.4
150.10045	4.3
194.09482	0.6
205.15958	47.9
206.16296	4.0
295.17001	3.4
296.17505	0.5
328.16681	2.2
367.26392	100.0
368.26749	15.1
368.31522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82587	0.6
57.03448	1.0
57.22222	0.6
59.01378	3.4
61.98830	100.0
63.90924	0.5
64.96936	0.6
65.74944	0.6
71.01382	2.5
71.05011	0.7
71.52392	0.8
72.99326	1.7
75.00859	1.4
75.71099	0.6
83.01370	0.8
85.02962	7.4
87.00896	1.1
89.02451	0.8
93.03474	1.7
95.01413	1.2
99.00881	1.0
101.02460	0.6
109.02972	1.7
111.00881	2.5
113.02469	1.2
117.05602	2.6
118.05916	1.2
119.05089	1.1
125.02472	4.0
129.01974	2.7
133.02997	0.9
137.02496	1.4
144.04526	1.4
145.03009	1.0
149.02460	1.2
150.03230	0.9
151.03984	1.2
160.04054	0.6
163.04007	1.5
167.03459	0.8
173.02406	0.6
173.04561	1.1
179.03481	0.8
191.05595	6.4
195.02928	1.1
205.03574	2.6
207.03009	0.8
207.06581	0.6
219.06601	0.7
223.04532	4.7
229.01344	0.7
249.06386	1.8
250.06569	2.6
276.49396	0.6
277.01883	0.6
305.06622	4.2
368.02798	1.1
368.12683	1.4
369.08313	0.8
369.12585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2639
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
50.68454	0.5
55.18262	0.4
58.00598	1.4
59.01384	2.3
61.98823	0.9
71.01383	0.9
73.02971	0.8
77.98267	0.5
83.05045	1.7
93.03413	0.6
96.26757	0.5
96.96005	1.3
97.06593	5.0
98.19841	0.8
101.02403	0.7
113.06064	0.8
119.08706	0.9
131.08626	0.6
161.04602	0.7
225.16454	1.9
233.13379	1.1
251.14474	0.9
267.21219	3.5
268.21396	0.6
275.17862	0.8
293.22864	2.5
295.24280	0.6
307.10239	1.3
315.21121	1.2
319.20682	0.6
331.24298	75.2
332.24637	9.9
333.22314	0.8
349.25403	4.9
350.22464	11.6
350.26566	0.6
351.22791	1.7
367.26389	100.0
368.26721	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	367.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
61.98832	0.9
70.52973	0.5
98.10754	0.5
133.06599	1.4
149.09717	81.9
150.10059	3.7
173.35040	0.6
188.76813	0.5
205.15962	81.5
206.16301	5.8
229.03799	0.5
291.03738	0.5
367.26395	100.0
368.26733	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	367.2487
Annotation	Carboprost
Peak:m/z	Relative Intensity
59.01381	7.9
61.98816	2.5
71.01369	2.8
71.53315	1.2
73.02946	6.0
83.05002	1.2
85.02951	1.1
87.92545	1.5
96.95990	3.6
101.02433	1.1
102.52789	0.8
133.53267	0.9
146.51552	1.0
161.04483	1.2
191.05605	1.3
209.11728	1.4
209.15361	1.3
223.16936	1.0
231.21053	1.5
263.20102	14.7
264.20605	1.6
275.20129	28.2
276.20349	2.5
293.21213	100.0
294.21545	11.2
301.21521	1.3
307.10236	2.8
331.22726	5.0
337.25333	1.3
343.61404	1.0
349.24484	1.1
367.17810	1.8
367.24878	32.5
368.25150	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	367.2487
Annotation	Protoconstipatic acid
Peak:m/z	Relative Intensity
57.03449	9.5
58.31968	2.7
59.01365	7.3
61.98816	2.9
69.03467	3.3
70.54245	6.5
71.01382	23.6
71.51019	2.5
72.02170	20.0
73.02949	9.3
81.28503	2.3
87.04511	94.9
93.03464	2.6
95.05032	7.5
97.06602	6.3
99.04546	5.5
109.06592	8.1
127.11302	3.0
139.07654	18.0
139.11247	2.3
141.12851	13.4
153.09230	22.6
155.14412	4.4
204.95753	2.5
205.19608	3.2
249.22218	29.9
250.22554	2.7
259.20651	4.3
261.22269	16.2
263.23611	4.5
269.22800	3.1
270.35767	3.4
271.86441	2.9
275.23724	6.6
277.21765	3.2
279.23291	31.1
280.23608	4.9
287.23816	27.8
293.24866	46.7
294.25143	3.9
295.22821	22.0
295.26099	4.1
296.23071	2.8
305.24847	81.7
306.25211	9.7
323.25891	100.0
324.26117	12.5
367.24911	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.4
57.03431	3.3
58.00563	1.4
59.01377	33.6
68.99804	0.9
69.03465	1.6
71.01380	49.1
72.99301	1.5
73.02946	30.4
75.00871	1.3
76.60033	0.8
81.03481	1.0
83.01381	12.0
85.02950	31.8
85.03467	1.7
85.06548	1.6
86.00091	1.6
86.03267	0.9
87.00873	4.9
89.02442	13.3
92.96632	0.8
93.03460	6.2
95.01381	4.8
96.51085	0.7
97.02969	2.0
98.20662	1.9
98.35838	0.8
99.00882	9.2
101.02437	51.7
102.02761	0.8
111.00911	1.9
111.04517	2.0
113.01727	1.3
113.02452	20.4
115.04014	1.8
119.03456	2.1
119.05013	2.3
120.05280	0.8
125.02419	3.5
129.01962	2.1
131.03491	3.2
134.03732	3.9
139.58513	0.8
143.03497	2.7
149.04582	1.6
155.13226	0.9
159.02980	4.5
161.04550	21.5
163.03935	1.0
163.84787	0.8
173.04529	2.4
191.05609	18.2
193.05055	2.0
202.14642	0.9
215.50656	0.8
220.06346	1.1
229.01387	1.1
233.06592	2.3
235.11852	100.0
236.12234	5.1
279.10974	0.9
367.16055	85.4
368.16238	6.3
390.94946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.8
57.03434	4.6
58.00569	1.5
59.01073	2.5
59.01374	37.1
60.99276	1.7
67.01884	5.1
69.03460	3.8
69.07697	1.3
69.39951	10.2
70.26015	1.2
71.01380	46.3
72.99307	3.6
73.02947	28.2
75.00874	5.1
83.01381	11.6
85.02949	34.7
85.06588	31.2
85.07108	1.9
86.06969	1.2
87.00875	12.5
89.02448	9.1
93.03465	28.2
94.03804	2.1
95.01387	2.7
97.02957	2.3
99.00874	12.0
101.02440	57.0
104.82864	1.5
111.00873	2.7
111.04501	5.4
113.02456	18.6
113.06087	7.2
114.42000	1.2
115.04025	8.0
117.03510	1.6
118.04856	1.3
119.05025	4.3
123.04547	1.4
125.02438	2.9
127.00367	2.2
127.03973	2.2
129.01956	2.9
131.03548	3.1
134.03728	17.6
143.03526	1.9
145.02925	1.9
149.06125	3.2
159.03017	4.3
160.04012	1.5
161.04568	20.2
163.04016	3.1
167.03516	3.9
173.04512	10.3
177.03955	3.3
189.07697	4.7
191.05603	99.1
192.05910	2.4
193.05054	10.8
195.05098	3.8
233.06618	2.6
235.11862	100.0
236.12250	4.5
266.75220	1.3
310.61868	1.3
334.36279	1.3
367.11002	4.6
367.16077	67.7
368.16470	4.4
381.95877	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	367.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38971	1.6
59.01378	9.1
70.38605	5.1
71.01366	3.1
85.02984	2.5
93.03481	2.4
96.96006	2.6
97.02953	5.6
98.19901	1.8
99.00884	1.8
101.02469	2.2
101.03943	5.4
117.03439	3.7
119.05025	100.0
120.05348	3.7
125.02400	1.5
133.03043	1.3
141.01949	9.4
145.02974	2.3
161.04501	2.3
163.03987	5.5
174.83023	1.6
185.00929	1.7
189.01849	1.6
201.89488	1.5
205.01424	1.7
205.12265	2.7
246.98730	1.9
249.11229	4.4
367.10233	2.8
367.14398	2.7
367.21011	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	367.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.1
57.03454	3.4
58.00598	1.9
59.01378	33.4
61.98829	1.8
67.01888	2.2
69.03450	1.4
71.01382	48.6
71.09511	1.1
72.99300	2.4
73.02946	29.1
74.85199	0.6
74.99149	0.8
75.00864	1.9
81.03466	1.4
83.01386	8.8
83.20869	0.7
85.02948	27.2
85.06582	2.3
86.03280	1.1
87.00881	6.5
89.02447	14.0
93.03459	8.6
95.01391	4.3
97.02950	2.7
99.00882	10.5
101.02440	51.9
105.60813	0.6
111.00883	1.4
111.04571	0.9
113.02448	20.9
115.04002	2.0
117.03504	0.9
119.03487	2.0
119.05019	2.6
121.02946	0.8
125.02447	4.0
129.01939	1.6
131.03510	3.1
134.03749	4.5
136.99167	0.8
143.03490	2.5
149.02414	1.2
149.04536	1.5
159.03018	5.5
161.02412	1.5
161.04550	20.2
163.03987	1.4
173.04607	3.3
175.04047	0.9
191.05605	29.9
192.05991	1.0
193.05022	2.9
205.03479	1.5
226.22313	0.7
233.06625	1.3
235.11855	100.0
236.12132	4.6
367.16043	81.8
368.16507	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	367.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28165	1.1
59.01378	10.6
59.98507	1.2
60.01276	1.1
61.98822	6.9
70.35674	3.7
71.01366	4.2
73.02935	1.8
75.00884	2.7
85.02938	1.5
89.02439	2.5
98.03727	1.1
99.04515	16.9
101.02429	1.7
113.02489	1.2
117.01974	1.9
135.03001	14.1
149.06042	1.6
150.06886	2.4
151.12193	1.1
161.13341	6.7
167.07141	8.7
187.11255	2.7
191.05536	1.9
193.08687	2.5
205.12315	20.1
206.12685	1.8
249.11302	100.0
250.11566	7.4
253.44769	1.1
261.00348	1.4
266.87286	1.0
313.12918	9.7
314.13763	1.2
339.14117	1.7
367.14017	17.6
368.14188	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
60.99299	0.2
67.01879	0.7
68.33638	0.2
69.03476	0.3
69.44047	0.8
69.44473	0.7
71.01388	0.8
73.02924	0.5
77.73379	0.3
81.03465	0.5
83.05025	0.6
84.89518	0.2
85.02950	8.6
87.00869	2.5
93.03457	6.6
99.00838	0.2
99.04493	0.2
109.02945	0.7
111.04509	1.6
117.03490	0.5
119.05042	0.5
127.04000	2.2
134.03754	3.8
135.04526	0.2
137.02467	0.3
138.53444	0.2
145.02921	0.3
155.03523	0.4
161.02440	0.2
163.03931	0.3
163.05240	0.2
171.02989	0.6
173.04498	2.1
175.03992	1.0
191.05603	100.0
192.05928	3.1
193.05049	1.3
203.03590	0.6
235.06169	0.4
247.02473	0.6
279.05023	0.3
323.04016	0.5
367.10281	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	367.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66967	0.9
57.03447	7.3
58.02956	1.0
59.01381	17.7
60.99303	1.6
67.01889	4.8
69.03443	2.4
71.01383	14.8
72.99307	2.2
73.02946	2.5
75.00876	20.6
82.72433	0.9
83.01389	2.4
83.14906	1.0
84.02163	1.0
85.02950	17.3
85.06587	86.9
86.06939	2.8
87.00876	12.8
87.04487	1.1
89.02433	5.7
93.03460	19.9
97.02969	1.9
98.91848	1.0
99.00877	7.6
101.02444	3.7
111.00881	2.5
111.04517	2.4
113.02468	1.7
113.06078	17.4
115.04003	16.5
117.03482	1.3
119.05054	5.5
129.01938	16.4
129.05562	4.7
134.03734	10.0
135.04524	3.0
141.01971	1.7
145.02969	1.7
157.05084	2.7
159.02965	5.1
163.04033	1.9
173.04544	8.2
175.03874	1.1
177.04034	100.0
178.04402	3.8
179.03580	1.6
179.59914	1.1
189.07692	6.5
191.05600	62.7
192.06003	1.8
193.05089	5.3
195.05116	7.9
206.08195	1.4
219.05139	2.0
237.06160	1.3
281.55795	1.0
367.12537	40.8
368.12723	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02044	0.4
57.03427	0.5
59.01375	1.5
60.99298	1.4
67.01892	4.7
69.03452	1.6
69.20288	4.5
71.01395	2.1
75.69221	0.4
81.03454	1.0
83.05003	1.3
85.02956	6.5
87.00871	7.0
93.03458	30.5
94.03806	0.8
99.04522	0.7
109.02967	0.5
111.04518	4.2
117.03477	1.3
127.04045	1.4
129.01907	1.0
134.03738	14.2
135.04095	0.6
155.03529	0.9
155.22025	0.4
156.03911	0.4
159.03152	0.5
160.01590	0.8
171.02898	0.5
173.04538	11.6
175.03984	0.7
191.05606	100.0
192.05977	4.5
193.05061	5.9
202.99812	0.5
354.72171	0.5
367.10208	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	366.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18457	0.2
59.01381	0.3
69.68147	1.3
88.04031	0.6
103.93601	0.2
113.02508	0.2
113.07514	0.2
116.05062	3.6
117.05501	0.2
132.04524	0.2
156.01398	0.2
159.03270	0.6
160.04036	100.0
161.04375	4.9
204.02994	4.2
205.03372	0.3
223.57536	0.2
236.40506	0.2
249.06380	0.3
315.09668	0.2
366.08279	16.3
367.08813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2693
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.26233	0.5
56.39426	0.5
58.60305	0.5
59.01371	1.6
70.53841	1.4
71.56609	0.6
76.42951	0.5
83.93332	0.6
85.06591	3.1
89.24746	0.4
91.99667	0.5
96.96009	1.0
98.21268	0.5
115.76212	0.5
141.09911	0.5
153.10580	0.5
199.13377	1.3
206.59248	0.5
251.20155	0.5
261.18573	1.0
279.19650	16.1
279.78720	0.5
280.17038	0.5
280.19858	2.3
347.25934	7.3
348.26257	0.6
363.25482	1.0
365.26947	100.0
366.27289	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	365.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26257	16.9
57.69489	18.8
59.01365	48.1
61.98833	100.0
66.22063	15.9
71.51640	21.9
85.52107	17.6
97.61036	16.6
116.92841	20.3
123.17719	17.7
127.29201	18.9
140.13760	17.1
202.79866	16.7
211.15245	15.2
283.26328	39.6
381.13596	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	365.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05977	1.9
57.03463	9.2
59.01373	10.0
65.41700	1.7
69.03468	3.8
71.01385	19.9
71.05024	2.6
72.02164	12.1
73.02934	10.1
81.03446	4.2
83.05044	5.0
85.06538	2.8
87.04512	100.0
95.05016	3.5
96.95991	4.7
97.06575	5.7
98.19859	5.0
99.04520	4.1
109.06592	7.1
113.09743	2.3
119.36726	1.7
123.08115	3.1
135.11797	5.1
137.09715	3.0
139.07645	21.0
139.11301	2.3
149.09760	2.9
149.13351	27.4
153.09167	19.2
153.12872	2.2
163.14903	15.0
165.09171	3.9
167.10767	2.2
167.14473	2.1
177.01959	2.6
191.18057	4.6
203.18027	7.5
205.88353	1.9
229.19452	2.3
229.92467	2.7
230.99438	2.8
231.21104	5.2
245.51244	1.7
247.20686	10.4
255.21141	3.2
259.20682	13.1
263.20291	3.3
267.21167	5.6
273.22287	8.9
275.20157	5.0
277.21680	4.4
285.22211	17.6
291.23248	23.5
292.23584	2.6
293.21127	7.2
293.24567	2.2
303.23279	39.7
304.23718	5.3
321.24298	13.0
365.23352	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	365.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.7
59.01385	20.7
64.50578	3.0
69.03458	6.2
71.01382	23.5
71.04998	7.7
72.02155	10.1
73.02923	11.8
81.03424	4.6
83.05011	6.2
85.02941	4.0
87.04514	100.0
96.95979	13.4
97.06612	6.2
99.04538	4.7
108.93404	3.8
109.06596	4.1
111.08111	3.7
124.08429	3.1
126.68827	3.7
135.11812	4.3
139.07626	21.4
149.13359	26.1
153.09209	20.9
163.14931	18.7
177.01933	4.1
203.17967	6.9
212.55800	3.6
219.17514	10.8
227.18031	5.8
235.16891	3.4
245.19081	10.4
259.20639	15.9
263.20081	25.3
267.21136	5.0
275.20117	4.9
285.22226	13.8
303.23279	31.6
304.23758	7.2
321.24326	9.0
365.19476	9.1
365.23328	7.1
365.27280	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	365.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01377	72.6
61.98821	7.3
63.94419	2.5
71.01385	23.0
71.50908	3.6
73.02943	5.6
75.00847	1.9
81.03461	1.9
85.02950	8.8
85.91450	1.8
89.02441	22.3
92.05058	8.3
93.03437	4.9
95.01409	3.0
97.02975	2.1
100.81787	2.1
101.02416	11.7
104.05063	4.1
111.04580	2.8
112.04060	10.7
113.02451	8.1
115.92081	2.6
118.06628	14.5
118.72738	2.0
119.03497	8.8
121.86569	2.0
122.06113	15.6
123.03259	5.5
124.04037	10.4
124.07701	3.1
125.02396	2.3
133.02963	3.8
134.06110	8.7
135.04472	2.4
136.07591	2.5
136.77718	2.0
137.02399	3.5
138.05606	31.2
140.07175	5.5
146.06128	19.4
148.04037	31.3
149.04556	3.0
150.05582	13.4
152.07256	3.8
160.04036	29.9
161.04636	10.5
161.07178	8.1
162.05608	59.4
164.07184	5.0
167.03447	4.5
176.03456	2.3
178.05087	100.0
179.05502	7.6
180.06638	5.4
182.04572	4.0
184.06122	31.5
189.04323	2.5
190.05035	5.8
191.05855	2.8
192.06544	3.3
200.10771	5.6
203.12822	3.3
205.93452	2.0
206.04539	2.3
212.07301	2.9
224.10854	10.5
225.10252	4.6
226.08812	2.1
227.08167	2.5
230.08243	4.1
230.11848	3.7
231.11378	2.6
238.07492	2.3
240.08926	2.5
241.13425	5.9
242.11855	23.8
243.11353	11.5
245.00996	2.0
252.08958	11.2
255.11258	7.1
257.09277	4.8
259.09967	2.4
260.12927	5.5
267.11392	42.5
268.11688	3.5
269.09109	2.9
270.09985	2.6
275.10495	4.5
285.12430	79.4
286.12720	7.1
303.13446	12.2
305.12332	8.0
311.10428	4.2
329.11411	82.1
330.11514	8.2
347.12405	23.9
365.13519	35.5
365.18143	5.7
366.08057	4.2
366.13855	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	364.9633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76062	0.4
59.01372	5.1
61.98827	100.0
63.45424	0.4
64.33961	0.4
69.65463	2.6
78.91883	1.3
80.74760	0.4
80.91679	1.9
97.83847	0.4
123.00906	0.7
135.95616	0.7
162.98595	0.6
164.94740	0.4
164.96338	0.4
178.98517	1.0
180.94138	8.3
182.09183	0.4
203.02332	0.9
206.97423	4.5
207.97557	0.5
219.97719	1.6
220.97733	0.9
220.98204	0.6
220.99580	2.9
222.95181	71.8
223.90486	0.5
223.95232	1.0
223.97171	1.0
280.54956	0.5
280.94366	1.1
281.94528	0.5
322.95441	1.5
364.96094	4.0
365.97073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
64.66099	0.6
65.69574	0.6
70.52039	0.6
71.01392	0.6
93.83108	0.6
93.83669	0.8
98.20655	2.0
98.53730	0.6
122.03727	0.9
132.02155	1.4
135.00839	0.7
135.04526	0.6
143.01283	0.9
143.04962	0.8
144.02098	1.0
147.00871	3.5
148.01706	1.5
149.02441	0.8
149.06033	1.2
159.00873	0.7
159.04541	2.1
160.01630	2.1
161.02411	1.7
163.00308	0.8
163.04015	1.3
164.04790	0.9
165.05608	0.7
166.06392	0.7
167.07124	4.1
171.00848	5.4
171.04468	1.2
172.01605	1.8
176.01117	3.1
177.01932	1.9
179.07101	2.0
180.04333	1.1
183.00876	0.9
187.00339	5.6
187.03973	2.0
188.01085	2.7
189.01877	2.1
199.00375	8.4
199.04030	0.7
200.01172	3.3
203.03535	1.1
204.00591	0.6
205.01422	0.9
208.01016	0.6
208.03647	0.6
214.99846	14.6
215.03529	0.9
216.00613	11.2
216.04163	1.2
217.01346	4.6
219.02922	1.8
223.02486	0.7
226.99834	5.7
228.00586	1.6
229.01500	0.7
229.67059	0.6
230.99298	2.0
231.02963	0.8
232.00130	0.8
242.99275	6.3
243.02962	5.0
244.00111	12.1
245.00883	3.2
247.02454	1.1
248.03181	3.4
254.99341	3.4
257.98117	0.7
259.02444	1.0
259.99643	2.8
263.01892	3.1
264.02753	2.3
270.98825	24.5
271.99564	15.1
273.00034	1.4
275.02325	2.9
275.05469	3.8
276.02676	0.8
278.66751	0.7
287.01981	2.4
298.98264	4.3
299.99026	2.8
300.99924	0.7
303.01437	26.2
304.02118	8.0
331.00937	11.1
332.01230	0.9
363.03555	100.0
364.03891	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96844	0.7
59.01377	7.2
59.32560	0.6
71.53356	1.2
71.53735	0.8
96.33895	0.7
105.01949	1.4
106.52289	0.6
113.02409	0.7
120.02232	0.8
132.02203	2.2
135.03027	0.8
135.22081	0.7
139.11313	0.9
143.05023	1.3
144.02174	6.3
147.00867	2.1
148.01707	1.8
160.01653	5.0
161.02335	0.8
164.01128	0.8
171.00854	1.1
172.01636	6.0
173.02365	0.9
175.00302	1.2
175.04082	0.8
176.01091	3.5
177.01927	0.8
187.00409	1.4
188.01167	5.4
189.01923	3.7
199.00330	1.4
200.01149	6.5
201.01889	2.0
201.11292	2.8
202.99791	0.9
204.00659	1.4
205.01378	0.9
214.02774	1.2
214.99901	4.4
215.03450	2.2
216.00591	7.6
217.01337	2.0
226.99878	1.8
228.00642	10.8
229.01274	1.1
230.99275	3.4
231.03061	0.9
232.00037	1.5
242.99319	3.0
243.02983	1.5
244.00156	6.7
245.00891	33.4
246.01190	2.0
254.99261	1.3
259.02432	3.0
259.99564	2.4
263.01944	1.2
270.98840	2.3
271.99640	11.4
287.01892	3.5
287.99167	2.1
303.01465	5.8
304.02255	7.8
305.02637	0.7
315.52988	1.1
320.21405	0.9
331.00940	39.7
332.01315	3.6
363.03558	100.0
364.03931	8.7
369.60794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18787	1.5
59.01390	7.6
61.98828	100.0
71.01391	3.2
71.52547	2.3
72.99330	1.3
76.67635	1.4
81.03473	1.1
83.04984	1.4
85.02985	1.7
87.60648	1.2
89.02427	2.7
93.03452	15.5
101.02404	1.7
107.01343	1.2
111.00854	1.6
111.04496	4.4
113.02465	1.5
119.03545	1.4
119.05021	1.5
125.02448	4.3
127.04009	5.2
135.02997	1.6
137.02440	43.2
155.03445	5.2
161.02385	2.4
163.03973	2.6
168.42769	1.3
169.01392	4.8
189.01924	1.7
191.03488	2.8
199.02386	3.1
275.01990	1.7
287.03046	2.6
291.98004	1.6
299.07724	5.9
300.99857	2.0
315.90314	1.3
362.02713	2.0
363.03436	2.5
363.16486	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	361.9888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97860	0.3
59.01378	7.8
60.01704	0.9
61.98828	100.0
66.68781	0.3
69.16041	3.1
77.06982	0.3
84.16247	0.3
143.60463	0.3
174.99213	1.0
175.99596	0.7
177.96652	0.4
178.98547	0.5
201.02556	1.0
202.02618	0.4
203.99960	3.9
204.02771	0.4
205.00250	0.5
206.97493	0.4
217.00314	3.0
218.00572	2.8
219.00648	0.4
219.97745	53.6
220.97708	0.3
220.99693	2.6
277.96896	0.6
319.98001	0.8
361.98444	2.7
362.99326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02934	0.8
59.01379	18.7
70.37296	2.4
74.54782	0.8
75.98441	1.0
76.04843	0.8
96.45777	0.8
109.19755	0.8
118.07551	0.8
158.97723	0.9
191.68185	0.8
261.59329	0.8
278.63953	0.9
279.23279	100.0
280.23627	8.5
317.59341	0.8
361.15579	1.6
361.23587	16.8
362.23911	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	361.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.32439	21.7
71.52724	29.0
97.32844	22.4
98.36499	22.0
113.44174	22.0
120.10262	21.7
294.35202	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	361.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71708	1.5
55.72896	1.5
57.03443	11.9
58.00610	1.7
59.01378	21.0
62.51059	1.5
67.01844	1.9
69.03466	8.5
69.17582	14.6
69.17996	2.6
71.01380	27.7
71.66811	1.6
72.99301	6.4
73.02938	4.5
73.19968	1.7
74.76010	1.4
75.00868	6.3
79.33474	1.7
83.01371	10.8
83.05050	1.8
85.02934	10.6
87.00881	25.0
89.02448	10.6
99.00889	3.8
101.02444	5.6
103.00344	5.1
105.01931	68.0
109.02934	1.5
111.00156	2.4
111.00880	26.1
111.08142	1.9
113.02435	3.5
115.04027	3.1
121.02914	2.0
129.01941	47.8
130.02278	2.7
139.11285	9.3
147.02989	32.0
154.54260	1.7
155.10722	6.4
161.04474	2.4
165.05466	1.8
171.58517	1.8
177.04034	72.9
178.04381	2.2
183.10265	43.2
184.10686	2.5
195.68234	1.7
199.09756	5.5
204.29623	1.8
216.00626	1.9
225.11250	3.1
227.03535	2.6
239.12825	3.0
241.10686	2.0
243.12328	5.4
255.02986	2.0
273.04095	2.4
284.03122	4.7
285.03949	2.8
295.11874	9.2
361.14993	100.0
361.22379	7.8
362.09854	2.0
362.15247	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	361.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74664	1.0
57.03447	2.2
57.29068	0.9
58.09708	0.8
59.01379	36.2
63.69454	1.0
69.48434	2.1
69.48842	4.3
71.01381	2.4
73.02940	3.8
76.58840	0.9
85.02961	1.9
87.04514	1.2
101.02458	1.0
125.02429	0.9
129.05661	1.1
139.10213	1.6
139.11292	30.8
140.11620	1.7
140.50700	1.2
155.10742	3.6
163.11211	1.4
165.09206	2.2
181.12338	17.0
182.12627	0.8
183.10255	34.7
184.10625	2.2
199.09792	1.2
199.13402	10.0
207.10249	1.0
225.11314	8.2
243.12367	100.0
244.12717	7.0
272.54288	1.0
301.20288	2.6
319.21170	12.8
320.21628	1.1
346.41751	1.1
361.15063	49.1
361.21841	8.0
362.15442	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	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22685	1.1
57.03450	8.2
58.24720	1.2
59.01384	12.5
59.15231	1.1
69.03447	4.8
71.01381	13.5
71.39010	1.1
72.99311	2.2
75.00874	40.5
84.02160	1.3
85.02954	13.8
87.00877	13.0
89.02444	4.8
90.00703	1.1
97.02956	1.6
99.00859	6.0
101.02443	2.1
111.00916	2.2
111.08192	1.3
115.92086	3.6
129.01947	15.6
139.11290	7.7
143.07083	1.2
159.03041	3.2
162.96431	1.2
177.04051	73.2
178.04445	2.0
183.10268	27.6
184.10568	1.4
197.11818	1.2
243.12328	1.6
292.39417	1.1
361.15036	100.0
362.15363	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	361.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.2
56.18459	1.2
57.03443	21.3
59.01374	36.3
63.63550	1.4
67.01882	1.3
68.99791	3.3
69.03454	15.3
69.22488	13.5
71.01009	2.7
71.01381	42.0
71.05011	2.3
72.99312	21.3
73.02969	6.7
75.00873	39.8
76.83808	1.2
83.01377	5.7
84.02156	3.2
85.02949	57.7
87.00877	6.3
89.02447	18.4
95.01424	1.9
95.52539	1.4
97.02946	8.1
98.44146	1.5
99.00878	31.6
101.02460	8.8
111.00880	6.5
111.08138	3.0
113.02448	5.8
113.06079	1.7
115.03986	2.5
117.01908	1.8
119.03474	4.2
120.99644	2.9
123.08143	1.4
129.01939	77.6
135.02995	5.5
139.11285	15.1
141.01930	5.9
159.02988	13.4
161.04500	2.9
172.92918	1.4
177.04033	99.9
178.04295	3.1
181.12340	1.9
183.10248	57.8
195.05025	4.9
199.13393	2.8
240.04274	5.5
243.12383	3.8
256.71063	1.6
298.08505	3.1
313.10825	7.9
361.15009	100.0
362.15390	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73456	3.0
59.01378	52.9
61.98815	10.3
68.94956	2.4
69.47514	7.2
69.47935	14.8
70.93402	2.2
71.01373	17.6
72.97571	2.9
75.00822	2.4
85.02962	6.5
87.00887	11.5
89.02446	4.7
92.99790	3.2
98.19906	6.3
99.00871	6.5
101.02449	11.2
105.13919	2.6
111.00883	4.2
113.02450	12.6
121.02932	3.8
123.00890	100.0
124.01717	13.9
124.67429	3.0
125.02441	10.4
137.02425	8.4
138.03227	85.5
139.00320	3.7
139.04053	31.1
148.50964	2.8
149.02452	3.8
151.03998	4.7
154.99858	3.1
159.02925	4.9
161.04561	25.7
162.04851	2.8
163.04033	3.2
169.01443	7.0
177.04028	3.7
181.05061	11.7
182.99310	5.0
193.05133	6.1
211.02470	3.4
237.81114	2.7
271.04431	4.9
301.09256	42.4
361.03867	5.9
361.07678	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	361.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88793	0.9
56.11410	1.0
59.01379	21.5
61.98820	3.0
66.30169	0.8
67.01902	1.0
71.01385	9.7
72.99331	1.0
73.02927	1.5
79.01871	1.0
85.02954	2.0
87.00874	1.2
89.02433	7.8
95.01411	1.4
97.02960	2.4
98.19806	1.5
100.13785	0.8
101.02448	11.3
104.41235	1.0
107.01382	10.4
109.90170	1.0
111.00858	2.6
113.02434	3.9
119.03510	5.1
119.05001	1.1
123.00851	4.7
124.01648	4.8
125.02444	60.8
126.02804	2.2
127.00303	1.2
133.05040	2.0
135.04518	0.9
136.98811	1.0
137.02402	1.7
139.00349	4.0
139.04001	2.2
140.01151	3.6
143.03497	1.2
151.00360	3.4
155.03497	1.6
163.03979	3.2
165.01959	2.1
167.03484	4.4
168.00642	10.4
169.01416	100.0
170.01768	4.0
183.02942	3.4
193.01396	5.1
209.06685	2.2
211.02493	15.8
236.94806	0.9
241.03534	5.0
253.03441	3.2
271.04572	71.3
272.04877	4.1
325.05612	1.6
339.23758	1.0
343.06802	2.4
361.07724	53.7
362.08109	3.2
365.25146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.2
57.03448	5.1
58.57010	2.2
59.01376	32.5
68.99837	2.1
69.15268	1.8
71.01381	23.2
71.52628	3.3
72.99295	3.4
73.02922	3.1
75.00876	4.4
85.02946	20.6
89.02442	17.6
93.03454	4.3
99.00889	9.5
101.02425	10.6
102.24883	2.1
106.10477	2.1
109.02950	2.0
111.00954	2.1
113.02478	6.3
117.03467	8.5
119.03598	2.2
119.05023	59.7
120.99656	3.1
121.02940	3.3
123.04554	2.5
129.01944	14.1
132.05713	2.3
133.06659	11.7
135.03003	3.7
145.02960	69.1
147.04486	6.3
149.02451	2.9
159.03078	3.0
161.06079	33.7
163.04005	72.7
164.04381	2.4
177.04022	24.5
177.05566	10.2
183.10222	8.9
187.04008	4.4
187.07683	2.6
189.05559	3.3
205.05040	44.7
205.06822	3.6
235.06107	63.7
236.06461	2.3
243.12387	4.2
263.05670	2.4
265.07159	100.0
266.07507	7.2
271.09744	3.6
323.07648	6.4
325.09262	28.1
359.38693	2.3
361.14969	18.5
361.18707	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	361.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.2
57.03448	5.1
58.57010	2.2
59.01376	32.5
68.99837	2.1
69.15268	1.8
71.01381	23.2
71.52628	3.3
72.99295	3.4
73.02922	3.1
75.00876	4.4
85.02946	20.6
89.02442	17.6
93.03454	4.3
99.00889	9.5
101.02425	10.6
102.24883	2.1
106.10477	2.1
109.02950	2.0
111.00954	2.1
113.02478	6.3
117.03467	8.5
119.03598	2.2
119.05023	59.7
120.99656	3.1
121.02940	3.3
123.04554	2.5
129.01944	14.1
132.05713	2.3
133.06659	11.7
135.03003	3.7
145.02960	69.1
147.04486	6.3
149.02451	2.9
159.03078	3.0
161.06079	33.7
163.04005	72.7
164.04381	2.4
177.04022	24.5
177.05566	10.2
183.10222	8.9
187.04008	4.4
187.07683	2.6
189.05559	3.3
205.05040	44.7
205.06822	3.6
235.06107	63.7
236.06461	2.3
243.12387	4.2
263.05670	2.4
265.07159	100.0
266.07507	7.2
271.09744	3.6
323.07648	6.4
325.09262	28.1
359.38693	2.3
361.14969	18.5
361.18707	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	359.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16714	0.8
57.70468	0.7
59.01378	22.4
60.47255	0.7
71.01405	0.8
96.06739	0.8
177.65369	0.8
186.00830	1.0
211.48685	0.8
277.21704	100.0
278.22046	8.0
310.18384	0.8
359.22086	17.0
360.22485	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	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.5
60.37924	1.0
69.03457	1.4
71.08739	1.9
83.01411	0.9
85.02921	1.5
111.08177	1.5
117.14185	1.1
117.95090	1.2
123.00929	1.2
125.02444	2.6
131.03546	4.8
137.02458	1.1
145.50131	0.9
149.04550	20.9
149.97510	1.0
153.01917	1.2
165.12846	30.8
166.06348	1.6
166.13202	3.2
169.01405	4.4
175.03841	1.3
181.08679	1.1
183.13893	100.0
184.14272	4.7
184.28085	1.0
194.14659	0.9
209.11824	2.8
227.12880	84.3
228.13223	4.9
255.03133	1.2
315.02182	1.1
315.98361	1.3
344.12589	2.0
357.03931	1.1
359.00650	1.9
359.06467	2.3
359.16940	9.8
359.21536	1.9
359.28009	3.9
359.56354	1.3
382.76456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
57.11426	0.9
57.26176	0.8
59.01365	3.0
62.50328	0.9
69.23134	3.7
69.23570	4.3
71.01376	1.7
72.99310	2.2
75.00868	19.6
78.08102	0.8
83.05036	4.4
89.02435	3.0
95.05026	1.3
97.06588	11.3
109.06578	1.2
111.08147	9.1
117.01927	1.6
135.02992	88.3
136.03345	2.9
147.11757	1.5
153.01991	0.9
163.11249	3.4
165.12837	100.0
166.13217	5.9
168.98041	0.8
197.15462	59.1
198.15781	2.9
209.11760	3.4
218.05574	0.8
241.14439	34.0
241.83383	1.0
242.14778	2.6
262.94006	0.8
263.49866	0.8
334.78174	0.9
353.30038	0.9
359.17014	0.9
359.22168	1.0
359.27863	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	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03444	1.1
59.01361	1.0
69.43092	0.6
69.99163	3.0
72.64111	0.6
73.02940	2.4
77.57037	0.8
81.89021	0.7
111.08154	2.4
113.58562	0.8
129.02026	1.0
131.03514	2.1
139.44661	0.7
144.42578	0.6
147.02919	0.9
149.04550	12.4
165.12846	28.3
166.13162	1.9
183.13892	100.0
184.14256	5.0
209.11812	2.0
211.13383	1.6
213.36743	0.7
227.12871	79.9
228.13242	6.1
313.23907	1.9
336.30771	0.7
359.17389	8.1
359.28015	35.6
360.17514	1.0
360.28293	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10312	0.4
57.03445	3.4
59.01375	1.2
61.98811	0.5
69.03447	2.0
71.01409	0.5
71.05007	1.1
83.05030	1.1
83.95150	0.4
89.02395	0.4
95.04982	0.6
97.06590	1.2
98.19912	1.5
109.06592	0.6
111.08160	8.6
117.01949	0.6
121.10252	0.5
130.88039	0.4
135.02960	0.7
147.11768	0.7
153.01880	0.5
156.58606	0.4
158.45743	0.4
165.12842	100.0
166.13164	5.8
181.12328	2.2
191.10730	2.4
197.15509	0.8
198.44208	0.4
200.71655	0.5
209.11804	7.3
210.12094	0.5
227.12877	10.1
241.14481	4.3
359.17099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09266	1.8
58.00590	3.5
59.01378	82.0
64.97166	1.9
67.90244	1.9
69.41239	10.0
69.41660	7.1
71.01379	60.9
72.99313	5.6
73.02936	2.2
73.50553	2.1
74.99096	7.4
75.00847	2.4
83.01367	3.7
84.24973	2.0
85.02934	9.1
87.00879	5.6
89.02443	82.7
91.76427	2.0
93.03464	2.8
95.01363	5.7
98.20654	4.0
101.02448	26.5
109.02914	3.1
113.02467	20.1
119.03506	25.5
123.00877	39.5
125.02439	3.8
131.03471	2.4
136.99141	3.9
137.02432	3.0
138.02249	3.3
138.03232	48.2
138.05551	3.8
139.00403	2.6
140.01129	5.2
143.03462	6.2
149.04475	2.4
151.04005	3.9
153.01892	5.0
153.05583	19.0
155.03522	7.4
161.04564	2.9
166.99850	7.3
170.74237	2.0
177.01987	2.1
178.00920	2.7
178.99884	3.4
179.03542	3.3
179.05611	13.3
179.06941	2.7
181.19254	2.2
182.02211	38.8
183.02548	2.2
191.05605	2.5
193.03220	5.7
195.05153	3.7
197.04539	100.0
198.04790	4.2
273.30173	2.6
356.72617	2.2
359.09756	6.4
359.14075	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	359.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.03447	1.6
58.00587	4.0
58.88320	1.1
59.01379	100.0
69.03471	1.4
69.41114	2.3
69.41521	6.4
71.01379	61.0
72.01703	1.3
72.99300	6.8
73.02942	2.6
75.00838	2.5
81.05192	1.1
83.01391	3.4
85.02946	10.2
87.00868	3.6
89.02444	73.3
93.03459	3.1
95.01381	5.8
97.02945	1.4
101.02441	34.8
104.46862	1.2
108.02139	1.5
109.02926	1.9
113.02449	22.5
114.02766	1.4
118.17854	1.1
119.03500	28.1
121.02991	1.4
123.00886	13.4
125.02447	2.0
131.03488	4.2
134.03714	2.1
135.04539	4.3
136.01639	2.2
136.07619	1.3
137.02457	1.8
138.03230	17.5
138.05623	1.3
140.01123	1.4
143.03455	2.2
149.02426	7.1
149.04510	2.5
149.06091	3.7
151.04022	1.6
152.01135	1.3
153.01923	4.5
153.05611	5.5
155.03493	2.6
161.04515	3.5
164.03755	0.9
164.04791	32.2
165.01935	4.0
166.99828	4.6
179.05580	4.7
179.07114	37.0
180.07452	2.2
181.01407	2.4
182.02171	13.1
182.05838	3.4
193.03215	1.3
195.04971	1.8
197.04536	36.5
197.08136	2.7
211.06056	1.5
212.36955	1.3
344.12524	1.2
359.06000	2.5
359.09906	2.0
360.06763	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.1
59.01379	100.0
67.05524	1.2
69.22942	8.0
69.23352	1.9
71.01372	3.0
73.02937	2.2
73.05188	1.0
75.00871	21.2
87.00861	1.0
89.02430	4.2
90.61903	1.0
94.86167	1.0
97.06583	1.4
98.19880	2.2
99.04510	1.7
110.13733	1.1
117.01915	3.1
118.54604	1.1
119.08636	2.8
135.02997	90.5
135.08116	1.3
137.09750	7.7
163.07597	1.8
166.06306	1.8
173.11673	1.3
179.03464	1.5
179.10739	3.1
181.08694	13.6
188.82501	1.1
192.04352	1.2
197.11819	73.7
198.12148	2.7
223.31853	1.0
241.10822	40.9
242.11098	3.2
260.20721	1.0
299.18655	4.8
317.19736	18.3
318.19952	2.0
329.10345	1.5
359.13437	48.7
359.20123	6.0
360.13812	4.1
361.71173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
54.88934	0.5
59.01367	1.5
61.98821	0.5
69.81817	2.6
71.01380	1.3
74.99097	0.7
77.54870	0.4
81.11005	0.5
85.02918	0.6
85.06525	0.5
89.02422	0.9
93.03450	0.5
95.01392	3.0
97.02952	0.4
123.00886	39.6
124.01206	1.1
125.02457	0.6
137.02411	1.2
138.03229	53.1
138.91673	0.6
139.00333	0.7
139.03548	1.4
140.01170	0.7
147.07518	0.5
151.03999	0.7
153.01950	1.2
153.05583	19.6
154.05829	0.5
155.03508	1.4
166.99857	11.4
168.00290	0.6
171.64740	0.5
181.01373	0.5
182.02213	40.1
183.02568	1.6
196.52690	0.5
197.04546	100.0
198.04866	4.1
239.05658	0.7
359.05780	0.7
359.09708	2.9
360.77216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.0
57.17758	0.6
57.74337	0.6
59.01375	5.0
61.98824	1.6
65.00326	2.1
67.01876	2.3
68.99814	3.5
71.01381	3.3
71.51809	0.7
72.99303	0.7
81.03459	2.4
83.01385	15.8
85.02951	2.6
87.00887	0.9
89.02454	1.9
91.01862	0.9
93.03440	1.2
95.01363	1.0
97.02947	0.9
101.02444	2.3
102.75956	0.7
107.01381	3.7
109.02942	11.2
109.03680	0.8
111.00866	0.9
112.62392	0.7
113.02453	1.4
119.03474	0.7
121.02943	3.0
123.00885	4.6
123.04563	1.4
124.01698	0.8
124.04021	1.9
125.02448	38.0
135.04530	28.5
136.04840	0.9
137.02422	1.9
138.03210	5.6
139.04024	4.3
140.01161	0.6
149.02432	8.3
150.02872	0.7
151.00371	15.9
153.01935	100.0
153.05565	2.0
154.02235	3.4
155.03400	0.8
161.02440	0.8
166.99829	1.4
167.03468	11.7
169.01447	0.6
177.01949	3.2
178.99834	5.4
179.03574	1.8
182.02238	3.6
182.03636	0.6
191.05603	2.0
195.03058	1.7
197.04539	20.3
198.04909	1.0
217.00305	1.3
257.07773	2.2
287.07632	0.9
297.09857	3.6
315.07147	8.1
316.07516	0.9
341.05109	1.3
359.06091	9.6
359.10077	8.4
360.10504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56565	0.4
59.01379	79.8
60.01709	0.6
61.98821	1.5
69.87875	1.3
69.88290	0.6
76.43577	0.4
90.97121	1.5
118.96654	0.7
126.26546	0.4
132.98196	1.6
156.90881	0.8
157.03557	3.0
159.01434	0.9
174.99240	21.3
175.99677	0.7
198.91905	1.3
201.02545	25.1
202.02742	2.5
208.52515	0.4
217.00285	100.0
217.98105	0.7
218.00633	2.9
265.05005	0.4
307.31824	0.4
317.00580	0.9
359.01517	6.3
360.01712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20148	0.6
59.01379	100.0
60.01729	1.1
65.63226	0.6
67.64114	0.6
71.01385	7.2
72.34143	0.6
73.02946	2.3
85.02948	3.4
89.02462	0.8
89.90808	0.6
95.01446	0.8
98.19845	1.7
101.02443	4.8
111.13865	0.7
113.02416	3.8
121.02966	1.0
136.01714	0.8
161.04529	3.9
162.03146	0.7
229.65605	0.7
229.68178	0.9
280.83356	0.7
297.07773	1.2
313.07294	1.4
315.18152	3.6
325.07208	1.0
357.06094	1.1
357.09833	1.4
357.26691	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74706	0.4
57.84420	0.4
57.92174	0.5
59.01379	100.0
60.01723	1.3
68.09432	0.4
70.09796	0.4
71.01382	8.8
73.02943	2.5
83.01385	1.3
85.02953	3.0
89.02470	1.7
95.01403	0.6
98.19920	1.5
99.00874	1.1
101.02436	4.0
108.53242	0.6
112.97289	0.6
113.02443	2.4
114.44221	0.5
119.03598	0.5
120.13757	0.4
159.03055	0.6
161.04558	3.6
288.88074	0.5
315.18271	1.3
330.87204	0.5
335.75946	0.5
357.26755	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88264	1.0
59.01381	100.0
69.30414	9.2
69.95181	1.0
71.01375	7.8
71.02869	1.0
85.02948	3.1
101.02447	3.8
108.26723	1.3
113.02441	2.1
117.12452	1.1
126.89551	1.0
161.04543	3.6
164.89514	1.1
211.78246	1.1
260.47263	1.1
343.12878	1.1
357.26575	1.4
375.65811	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	357.134
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01367	0.7
68.35087	0.2
84.02171	0.5
85.02961	0.4
89.45251	0.3
93.03423	1.6
107.05029	0.3
108.02158	1.7
109.02983	0.6
121.02947	8.3
122.03738	3.6
124.01617	0.7
127.26524	0.3
134.03722	1.0
135.04495	0.7
136.01654	79.9
137.02283	3.1
149.02469	0.4
149.06100	0.4
151.03996	100.0
152.04350	4.4
154.02727	0.4
159.04501	0.5
160.05315	1.2
161.02368	0.5
162.03194	1.2
163.03987	1.3
172.52740	0.3
175.03918	0.8
175.07588	1.5
176.04720	0.5
177.05550	0.7
179.03406	0.7
187.04033	0.7
189.05516	0.7
190.06410	0.3
195.06592	0.3
203.07080	0.7
216.81573	0.3
268.61633	0.3
311.12830	0.7
315.18097	0.6
342.11029	4.4
343.11362	0.5
357.13403	19.1
358.13770	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	357.1191
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.01873	4.4
57.03438	2.5
58.00589	9.3
59.01379	77.0
61.98830	4.2
69.39379	1.4
69.39741	12.8
71.01379	57.5
72.99312	4.0
73.02953	12.2
75.00872	6.5
83.01379	6.8
85.02963	18.9
87.00872	27.9
89.02446	44.7
93.03438	1.7
95.01387	3.9
99.00896	2.7
101.02441	36.6
108.02183	6.7
109.02988	4.2
111.00857	1.8
113.02457	21.4
117.03474	6.8
119.03506	28.2
121.02966	10.6
122.03745	8.1
123.04528	6.4
125.02448	4.0
129.01965	2.9
133.02959	4.1
134.03749	3.6
135.04510	5.7
137.02435	3.5
137.06097	3.1
143.03484	4.6
145.02966	39.6
146.03668	4.7
147.04527	11.8
147.09232	1.5
149.02443	4.3
150.03252	14.7
151.04010	2.3
155.14552	1.6
161.02443	36.8
161.04546	5.1
162.03230	47.3
162.04604	2.8
163.03929	5.5
165.05577	17.8
169.01357	2.1
177.04105	2.6
177.05550	35.4
179.03470	2.7
179.05594	5.9
180.04295	52.0
182.99490	1.8
184.71805	1.7
191.05588	2.3
192.34901	1.6
195.05045	14.0
195.06615	100.0
196.07001	4.6
212.10750	2.0
261.94583	1.8
267.08609	3.8
357.12006	42.3
358.12164	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	357.119
Annotation	Tarennoside
Peak:m/z	Relative Intensity
58.00586	3.2
58.48433	0.9
59.01364	4.8
61.98829	1.0
69.40206	2.1
69.40629	4.8
71.01378	6.9
73.02943	1.7
75.00876	4.8
75.67393	0.9
83.01397	0.8
85.02950	4.7
87.00882	4.6
89.02455	1.0
93.03434	2.3
97.25714	1.0
98.26484	0.8
99.00896	1.9
101.02435	3.3
101.27953	0.8
108.02131	1.8
109.02969	1.9
113.02463	2.0
117.03450	3.5
121.02951	9.2
122.03753	4.4
125.02430	2.6
129.01947	2.2
133.02986	1.3
135.04529	3.8
137.02464	1.8
145.02968	9.4
146.03719	2.4
147.04536	1.0
149.02432	45.1
149.03636	2.1
150.03220	45.8
151.03798	1.5
153.01936	1.8
161.02438	7.0
161.04533	2.7
162.03246	8.8
163.03987	1.4
164.04791	18.7
165.05562	100.0
166.05849	5.0
169.01411	2.1
175.06015	1.1
177.01953	5.2
177.05554	6.2
177.73068	0.9
179.03378	1.5
180.04257	18.3
181.04855	1.9
183.02997	1.2
195.03145	1.8
195.05037	11.2
195.06615	53.9
196.06935	3.2
220.63745	1.1
239.73991	0.9
327.10776	3.5
351.75107	0.9
357.08118	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	357.119
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01377	37.2
69.68542	5.6
69.68853	0.9
71.01382	19.4
72.90491	0.9
72.99317	1.2
75.00909	1.2
81.33523	1.1
84.25272	0.8
85.02941	4.0
89.02443	21.8
92.70439	0.8
95.01405	1.1
98.20634	1.5
101.02439	14.0
113.02460	6.1
119.03494	6.4
125.02470	1.0
127.53467	1.0
134.03781	1.3
135.02992	2.3
136.05278	1.6
143.03485	1.3
144.78123	1.0
151.04018	1.8
151.23431	1.0
153.01807	1.1
161.02353	2.5
162.03223	64.1
163.03589	4.5
177.05566	100.0
178.05959	6.0
180.04239	1.2
195.05083	1.5
195.06656	11.7
216.62984	1.0
219.06282	0.9
239.09012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03198	0.5
57.03443	3.1
59.01382	8.1
61.98839	1.4
69.03449	0.8
71.01387	6.6
71.21964	1.2
72.99305	1.8
75.00871	30.0
83.01408	1.0
85.02954	5.4
87.00880	5.0
89.02451	4.2
93.39552	0.5
99.00882	7.1
101.02479	1.1
109.02958	1.4
111.00885	1.2
113.02445	1.1
121.02951	0.6
129.01947	14.4
130.02322	0.7
133.02972	1.5
134.03755	1.4
135.04532	17.4
136.04874	1.0
141.01917	1.3
145.02966	0.6
146.96065	0.5
153.01967	0.8
159.02983	5.6
161.02452	6.1
162.03177	1.0
177.04057	15.0
177.05539	1.3
179.03485	8.3
187.03775	0.5
195.05099	100.0
196.05429	2.7
196.91237	0.6
200.11731	0.5
209.57820	0.5
221.04573	1.2
237.57822	0.5
274.37863	0.5
293.56265	0.6
328.88211	0.6
339.07098	3.7
357.08231	16.5
357.11804	0.7
358.08621	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	357.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
59.01374	8.7
61.98822	0.8
68.84007	0.6
71.01382	5.9
72.99327	0.6
75.00871	28.6
83.01366	1.2
85.02943	6.1
87.00871	4.8
89.02451	4.3
99.00877	4.1
101.02458	1.0
109.02965	1.5
111.00830	1.2
113.02451	0.8
123.04587	1.0
125.02430	1.4
129.01947	13.7
130.02231	0.7
133.02899	1.4
134.03761	1.2
135.04520	16.2
137.02477	0.7
141.01897	1.3
142.26010	0.6
152.64256	0.6
153.01944	0.8
153.05518	0.9
159.02968	6.0
161.02454	7.0
161.37212	0.6
162.03174	2.1
169.01392	1.4
171.89671	0.6
177.02071	1.0
177.02377	1.1
177.04027	9.1
177.05554	2.3
178.04375	0.7
179.03508	6.7
180.04132	1.3
181.87711	0.6
195.05086	100.0
195.06488	3.8
196.05424	2.7
221.04623	0.8
255.51920	0.6
339.07138	3.2
354.86307	0.5
357.08206	17.1
357.12225	1.4
358.08194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01381	4.4
69.25449	1.4
69.25877	1.4
77.03947	0.4
80.16941	0.3
85.27485	0.3
86.53881	0.3
92.51313	0.3
93.03433	0.5
121.02956	100.0
122.02499	0.5
122.03291	3.6
136.01674	0.4
165.01912	1.0
180.05865	1.9
181.06593	6.2
182.06915	0.4
195.13905	6.4
196.14223	0.5
225.05574	5.9
226.05966	0.4
239.12852	4.0
249.07697	0.3
269.08221	0.3
313.07162	7.1
314.07483	0.4
357.06140	28.2
357.15424	0.8
357.26413	1.2
358.06448	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	356.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	40.7
69.52254	4.4
69.52669	14.5
69.71262	2.4
72.87180	2.3
84.00889	2.7
95.31346	2.5
98.19941	5.4
101.64281	2.6
121.02955	4.3
144.13342	2.7
301.42676	2.9
322.22638	3.7
327.19693	29.0
356.26663	8.9
357.24298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2637
Annotation	Dysolenticin G
Peak:m/z	Relative Intensity
59.01377	1.4
61.98820	1.4
65.85653	0.7
71.01372	1.0
71.52931	1.6
83.05055	1.8
85.02969	1.2
85.06594	1.0
97.06591	2.5
147.08235	0.9
153.09309	0.7
158.30762	0.7
164.01143	1.2
165.01886	1.5
181.39943	0.7
193.01411	1.2
194.75119	0.8
211.10899	0.9
214.47124	0.9
290.16742	2.0
291.17438	2.6
291.21222	2.6
292.18259	0.9
300.56482	0.9
304.18280	4.9
305.19037	1.9
306.19864	13.5
307.20325	2.5
308.17667	1.4
319.20520	1.2
319.24246	1.6
321.22226	64.4
322.22549	7.3
335.20236	5.3
337.25381	9.6
339.23203	1.2
351.23111	1.5
353.21124	4.7
353.25034	2.6
355.04596	3.6
355.26410	100.0
356.26724	12.9
369.24344	2.7
370.24316	1.0
371.22229	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	355.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59357	1.2
52.80611	1.3
59.01380	100.0
71.53360	1.7
80.75122	1.5
94.10053	1.3
97.52885	1.4
128.47612	1.4
136.75334	1.3
175.80965	1.3
194.77948	1.3
238.34033	1.4
309.58002	1.6
319.76556	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	355.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83356	1.0
59.01378	60.3
66.92828	1.2
71.05011	1.5
71.15707	1.2
73.02950	6.5
78.18592	1.0
81.03415	1.3
83.05019	1.9
85.80259	1.4
90.14206	1.1
93.92421	1.2
98.74129	1.2
108.72255	1.3
209.19142	2.2
229.30713	1.5
236.86502	1.2
239.19890	1.3
253.18040	2.8
254.52286	1.4
255.19612	8.5
267.23166	1.9
269.21216	2.6
281.21082	1.6
283.19077	3.0
293.24768	5.8
295.22745	37.9
296.23145	5.4
299.22159	2.4
307.86594	1.1
311.22308	3.0
313.23831	100.0
314.24213	9.5
319.22726	3.5
333.68176	1.3
337.23795	18.9
338.24124	3.2
355.24948	7.3
356.25107	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
52.33411	0.9
56.07525	0.8
59.01377	1.2
70.26727	2.3
76.05183	1.1
83.54583	0.8
85.02937	2.5
98.20696	1.1
107.05044	1.2
109.02952	2.5
111.00865	1.3
122.03745	12.1
127.07606	1.4
135.04532	29.4
147.08211	1.5
149.06046	2.2
149.09702	7.1
151.07677	3.5
154.02719	2.3
161.09732	9.7
163.07631	3.8
163.11285	53.8
164.08429	16.5
164.11612	2.4
165.09239	10.0
177.09212	65.1
178.09991	21.6
179.10777	82.9
180.11111	5.0
183.10243	2.1
187.11444	2.2
191.10779	12.9
193.01328	1.0
193.08704	9.2
203.47157	1.1
221.50731	1.0
265.12436	1.1
280.14697	3.2
298.15714	53.7
299.16083	5.8
307.17102	1.8
309.21942	1.3
321.18903	1.2
337.21722	48.4
338.22079	6.6
340.20404	79.8
341.20712	9.4
355.22775	100.0
356.23056	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	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.35343	0.4
58.00609	0.6
59.01379	10.6
60.61282	0.4
71.01389	4.5
71.29269	0.8
79.80733	0.4
85.02960	1.4
89.02448	3.6
89.90273	0.4
95.01384	0.7
101.02434	2.4
113.02446	1.7
117.03500	0.6
119.03511	0.9
119.05077	0.7
132.02162	12.9
133.02544	0.8
134.03732	10.2
145.02982	0.6
147.04518	0.7
149.06070	2.1
160.01654	64.7
161.01991	3.4
163.03992	0.7
175.03990	100.0
176.04347	5.0
178.02692	2.0
191.05583	0.7
191.07129	1.9
192.06007	0.6
193.05000	18.1
194.05325	0.8
202.02666	1.0
205.05040	0.6
210.86098	0.5
217.05045	5.4
235.06096	2.7
265.07156	1.7
295.08206	2.7
355.10458	5.8
356.10706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02285	0.8
59.01374	9.0
69.31500	7.2
71.01377	5.7
71.04124	0.7
73.02942	1.3
83.01373	1.7
85.02949	2.7
89.02435	2.0
98.19833	1.9
101.02434	4.5
111.45351	0.8
113.02445	1.8
116.59864	0.8
117.03504	1.6
132.02141	3.3
133.02951	31.5
133.20409	0.8
134.03754	18.7
135.04539	5.6
137.02461	0.9
144.53481	0.8
147.04509	1.7
148.05330	0.7
149.06093	4.3
160.01665	12.6
161.02437	100.0
162.02754	5.2
175.03995	14.7
176.04762	6.3
178.02722	4.1
179.03488	2.7
191.07108	7.4
193.05046	19.8
194.05394	0.9
207.06599	1.9
213.34517	0.8
217.04951	1.4
235.06122	17.5
236.06319	1.1
265.07120	9.1
295.08212	18.4
296.08511	1.2
355.10318	66.8
356.10544	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	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45904	2.1
59.01377	27.5
66.75883	2.2
70.56635	4.7
70.56966	4.3
71.01382	16.7
85.02957	5.8
87.16139	2.2
89.02453	12.0
101.02427	6.9
113.02487	3.9
119.05008	4.9
132.02173	12.8
133.02945	10.1
134.03745	54.5
145.02916	4.0
146.98792	2.4
147.04491	8.1
148.05324	3.4
149.06068	15.2
160.01648	68.8
163.03989	6.5
173.05981	4.3
175.04001	100.0
176.04701	15.1
177.01874	2.6
177.04047	4.1
178.02678	10.5
187.03960	3.2
191.05745	2.8
191.07170	26.4
193.05042	76.8
194.05327	2.8
207.06488	4.3
217.05014	7.7
220.03613	3.2
235.06148	48.5
265.07126	30.6
271.50830	2.5
295.08279	50.0
296.08508	5.1
333.85449	2.6
355.10269	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	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52107	0.5
51.64141	0.4
57.91819	0.4
58.00608	0.4
59.01377	9.6
61.59660	0.4
62.09981	0.4
63.02703	0.4
69.75686	2.7
71.01375	4.8
72.54922	0.5
85.02968	1.6
89.02439	3.3
89.85259	0.5
101.02457	2.1
107.73908	0.4
113.02456	1.9
119.03509	0.7
119.05067	0.7
132.02171	15.0
133.02841	0.7
134.03732	8.8
145.02966	0.6
147.04515	0.5
149.06068	1.7
160.01656	65.4
161.01979	3.0
163.04018	1.0
175.03993	100.0
176.04353	5.8
178.02661	2.3
191.05646	0.8
191.07169	2.5
193.05002	17.5
194.05353	1.0
202.02725	1.0
206.05540	0.4
207.06569	0.7
208.51797	0.5
217.05049	5.6
227.84167	0.4
235.06119	3.0
251.00311	0.5
265.07080	2.2
295.08112	1.6
318.76001	0.5
355.10468	5.2
356.10779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
56.72320	0.3
69.69898	0.7
69.70313	0.7
70.46455	0.3
79.95741	0.4
81.82295	0.3
96.96015	2.4
97.04846	0.3
106.07790	0.2
137.55443	0.2
147.08121	0.3
161.06102	0.4
163.11284	89.9
164.11610	5.2
177.09204	70.7
178.09549	4.1
190.09993	0.4
191.05635	0.4
222.09015	0.6
249.27666	0.3
353.21191	100.0
354.21524	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	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03198	1.0
57.03452	12.6
59.01381	8.6
68.99824	0.7
71.01382	6.1
71.51548	0.8
72.98396	0.6
72.99304	2.2
73.02938	1.5
75.00882	2.2
75.91899	0.5
83.01396	2.2
84.02174	2.4
85.02951	100.0
86.03276	2.2
87.00870	2.6
89.02443	1.6
93.03467	4.5
99.00904	0.8
101.02481	0.9
102.55255	0.5
103.00372	1.9
105.85976	0.7
111.00883	1.8
111.04530	1.1
113.02435	1.0
119.04982	3.2
121.02955	2.8
129.01956	7.8
133.01439	1.8
134.03712	0.9
147.02998	11.0
163.04031	3.1
164.01056	0.6
173.00935	1.3
173.04576	2.2
175.02464	1.0
181.05087	0.7
191.01976	24.6
191.05600	11.1
192.05977	2.2
193.05829	1.8
193.07167	3.9
209.03029	33.4
210.03433	1.3
236.32668	0.6
239.37320	0.7
355.06384	0.9
355.10413	3.6
365.76349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01376	1.4
67.01888	0.4
70.71540	0.8
71.01375	0.9
73.02914	0.4
83.05048	0.5
85.02948	8.3
87.00887	1.5
93.03455	3.1
99.00875	0.3
99.04532	0.4
109.02903	0.4
111.04514	0.8
127.04025	2.2
133.02963	0.9
135.04536	2.3
161.02402	1.8
171.02945	0.5
173.04576	1.8
179.03508	2.3
180.03877	0.4
191.05614	100.0
192.05972	3.7
345.92709	0.3
353.08960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69986	0.3
53.24343	0.3
59.01396	0.7
66.91390	0.3
69.03436	0.2
70.27145	0.3
71.01389	0.6
74.36061	0.3
81.03452	0.5
85.02947	6.7
87.00869	1.3
92.31794	0.3
93.03445	2.6
98.19823	0.4
99.04567	0.3
109.02987	0.4
111.04488	0.8
125.01494	0.3
127.04015	1.9
133.02928	0.4
135.04549	1.6
137.02440	0.4
161.02382	1.6
161.21918	0.3
171.03026	0.5
173.04573	1.2
179.03484	1.2
191.05612	100.0
192.05936	3.1
229.31982	0.3
245.48419	0.3
330.96152	0.3
347.67087	0.3
353.08710	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	353.0876
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.54729	0.2
57.87984	0.3
59.01374	1.2
69.81860	1.6
71.01379	0.7
73.02985	0.3
73.03422	0.3
73.20605	0.3
85.02950	8.6
87.00866	1.3
93.03452	2.3
109.02941	0.6
111.04513	1.2
125.42543	0.3
127.04032	2.1
133.02985	0.5
135.04527	0.5
161.02466	2.0
170.01224	0.3
171.03036	0.4
173.04536	1.0
179.03519	0.5
191.05605	100.0
192.05963	4.1
275.76971	0.3
276.45840	0.3
353.08789	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	352.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
61.98830	58.1
69.99632	3.8
70.00045	2.0
71.01369	1.8
75.07230	0.9
84.66683	1.1
85.02950	8.8
87.00883	1.9
93.03441	5.1
98.63731	1.0
98.70464	1.0
101.06109	2.2
111.00941	0.9
111.04504	1.5
118.54523	0.9
127.04050	2.1
133.02939	2.0
134.03815	1.0
135.04529	9.4
161.02446	2.5
161.32947	1.0
173.04547	12.1
179.03476	8.2
183.49846	0.9
184.01096	1.0
191.05606	100.0
215.26157	1.0
217.52196	0.9
265.24713	0.9
282.34689	1.1
352.13312	2.0
353.08698	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	351.2539
Annotation	(-)-Ebelactone B
Peak:m/z	Relative Intensity
57.03436	5.1
59.01374	5.2
67.83465	1.9
71.01376	9.3
72.02173	12.7
73.02953	5.3
77.29189	2.6
87.04517	52.0
96.96009	2.4
98.19839	3.3
99.04508	4.0
110.07140	2.0
114.70332	2.1
126.45755	2.0
136.13356	2.2
139.07573	4.6
153.09164	3.6
155.14400	5.7
169.15956	6.1
229.02719	2.4
229.62906	2.4
263.23798	22.6
264.24124	2.8
271.24292	2.9
277.25159	3.8
279.23172	8.6
289.25421	15.0
307.26434	100.0
308.26767	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	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.5
59.01380	12.2
67.01900	0.7
68.17227	0.6
68.99811	0.9
69.03443	0.6
69.56066	1.7
69.56474	2.3
71.01379	12.6
72.99310	3.2
73.02947	0.7
75.00468	1.0
75.00870	12.5
80.37115	0.6
81.03436	0.9
85.02951	12.1
87.00872	5.5
89.02441	2.8
93.03466	1.7
95.01380	4.1
99.00876	8.0
101.02398	0.8
101.06079	100.0
102.06416	2.5
103.00366	1.5
113.02451	20.2
115.00352	1.3
117.01901	2.4
129.01930	1.1
133.02940	2.6
175.02441	2.7
177.01917	1.8
197.22765	0.6
231.05026	2.5
249.03503	0.8
249.06116	15.0
267.07214	0.8
291.10779	1.1
333.11835	3.4
351.12930	60.5
352.13217	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	349.2383
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
53.32499	3.9
59.01384	16.5
69.03482	3.8
69.46280	2.9
71.01390	25.0
71.04996	6.6
71.61111	3.2
72.02160	10.6
73.02928	5.8
87.04517	100.0
98.03655	4.1
98.20689	5.4
99.04523	6.1
109.06588	5.3
139.07622	21.1
153.09227	17.0
153.12782	5.5
167.14395	5.0
176.52823	3.4
205.19617	7.4
251.15910	3.7
261.22208	31.2
269.22586	6.9
275.23859	4.5
277.21747	10.8
287.23718	18.7
303.23203	3.3
305.24921	38.7
306.25183	5.0
349.23660	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	350.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32187	0.2
53.15503	0.2
53.58101	0.3
59.01387	1.4
61.98836	0.4
69.53247	1.4
71.01366	0.5
76.11176	0.3
82.00348	0.2
85.72320	0.3
87.00873	0.6
93.03445	1.3
97.56945	0.2
109.02937	0.8
111.04513	0.4
133.02968	2.8
135.04535	0.8
144.04546	100.0
145.04915	4.2
153.18700	0.3
173.04543	1.3
177.01910	1.0
191.05598	1.9
191.73729	0.3
215.05612	1.2
253.45634	0.3
287.52341	0.3
306.09839	0.9
351.07187	0.9
368.54944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01875	0.8
55.12017	0.4
57.03436	0.4
58.00595	1.0
59.01378	35.0
69.25505	2.8
69.25911	1.1
71.01382	17.2
72.99320	2.0
73.02953	1.2
83.01399	1.2
85.02940	3.9
87.00887	1.6
89.02444	15.4
95.01389	1.5
99.00867	0.5
101.02437	12.3
103.87970	0.4
105.41480	0.4
107.49123	0.4
113.02453	7.3
119.03493	6.2
131.03558	0.7
139.11287	1.1
141.12859	26.4
141.92775	0.4
142.13210	1.2
143.03494	0.7
169.12343	5.3
171.13881	1.8
178.09300	0.4
179.05591	0.7
183.13853	1.7
187.13382	56.2
188.13739	3.0
229.14404	1.7
349.18637	100.0
350.18979	8.3
367.61649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.0
56.66422	0.5
57.03445	2.6
58.00595	3.4
59.01379	100.0
60.01718	0.6
69.45082	1.6
69.45494	2.5
71.01379	74.2
72.01707	1.2
72.99316	4.4
73.02949	7.9
81.03455	0.6
83.01376	5.9
85.02949	18.4
87.00858	3.1
87.04515	1.0
89.02444	72.7
89.63741	0.6
90.02789	1.0
95.01389	4.8
95.60837	0.6
97.02979	2.0
98.19887	0.9
99.00893	2.8
101.02441	45.9
112.85968	0.6
113.02453	28.9
114.02797	1.2
119.03506	30.4
120.03833	0.8
125.02459	1.5
129.01938	0.7
131.03516	3.2
141.01920	1.1
142.04362	0.7
143.03502	6.0
149.04530	3.0
159.03014	1.3
161.04556	18.0
179.05612	9.2
179.07021	0.9
185.11826	0.6
187.13374	7.5
188.13861	0.8
315.23593	0.7
349.14880	1.7
349.18655	16.6
350.19061	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01873	3.9
57.03434	3.1
57.54220	0.8
58.00591	3.6
59.01380	100.0
66.81420	0.8
67.74252	0.8
69.03452	1.4
71.01382	73.6
72.01701	1.0
72.99306	5.0
73.02945	7.6
74.39789	0.8
75.00874	1.5
80.07350	0.8
83.01392	5.1
85.02955	17.0
86.02052	0.8
87.00867	3.1
87.04524	2.7
89.02446	66.2
90.14229	0.7
95.01397	5.0
97.02947	1.5
98.19855	2.0
98.33413	0.9
99.00876	4.0
101.02443	48.3
102.02789	1.1
112.15140	0.8
113.02448	32.0
119.03507	29.5
123.31234	0.9
125.02437	1.8
131.03502	3.3
143.03474	7.2
149.04568	2.3
159.03011	2.2
161.04575	18.0
179.05620	6.1
187.13387	11.1
235.55609	0.9
245.98746	0.8
349.14697	1.9
349.18671	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	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
57.03449	4.0
58.00590	4.0
59.01379	100.0
60.01717	0.8
64.39146	0.7
67.34023	0.8
69.03447	1.3
71.01380	81.6
72.01718	1.3
72.52910	0.8
72.99298	4.5
73.02949	9.0
75.00876	2.2
75.74493	0.7
83.01383	3.7
85.02952	19.9
85.44015	0.7
87.00871	4.2
87.04519	3.6
89.02444	62.3
90.02760	1.0
95.01370	5.5
97.02925	1.7
99.00875	3.5
99.04505	2.3
101.02442	40.3
102.02761	0.9
111.08106	0.8
113.02451	28.7
113.06077	1.0
119.03500	27.8
125.02472	1.1
127.07654	4.1
128.03513	0.7
129.01949	1.3
131.03484	2.9
138.21001	0.7
143.03487	3.8
149.04497	1.1
158.59314	0.9
159.02966	3.1
161.04549	19.6
171.06601	1.2
177.04128	3.9
179.05582	5.7
187.13367	12.0
188.13774	1.3
331.10602	1.1
339.58484	0.9
349.11520	6.1
349.18607	23.4
350.11450	1.0
350.19125	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01869	3.5
57.03461	5.0
58.00600	4.0
59.01378	100.0
59.03422	0.6
59.83356	0.7
60.01715	1.8
61.98830	4.9
69.03455	1.5
69.39368	5.8
71.01380	90.3
72.01714	1.2
72.99316	5.4
73.02948	15.6
73.94295	0.7
75.00868	3.8
82.58701	0.7
83.01378	6.9
85.02949	29.6
87.00883	5.5
87.04498	3.5
89.02442	58.4
90.02799	0.9
95.01396	8.3
97.02959	2.0
99.00874	8.4
99.04516	10.7
101.02440	47.5
102.02760	0.7
109.06558	1.1
113.02445	40.4
114.62079	0.7
119.03498	25.0
125.02459	1.8
127.07649	7.1
129.01901	2.0
131.03473	2.4
143.03485	5.9
149.04546	1.8
159.02982	3.5
161.04556	28.1
162.04933	1.1
171.06648	2.4
177.04085	6.4
179.05638	4.3
184.71272	0.7
185.11801	1.0
187.13397	15.6
195.04976	0.9
205.03496	1.0
217.01445	0.8
249.06149	2.1
271.93735	0.7
287.01648	0.8
331.10150	1.3
349.11575	11.8
349.18619	29.1
350.11783	0.9
350.18860	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89287	2.3
55.22629	2.3
58.45623	2.6
59.01377	24.2
69.50631	15.5
71.01373	14.4
77.17426	2.8
89.02438	21.4
98.20660	3.1
99.24115	2.3
101.02422	10.4
113.02460	5.1
119.03493	8.5
120.80325	2.2
124.37891	2.5
135.02971	3.7
143.03580	3.1
151.06107	9.1
161.04591	3.0
179.05594	11.0
184.97672	2.7
191.05598	11.4
198.35072	2.5
260.38745	2.4
261.40353	2.5
289.02420	7.4
313.11392	100.0
314.11804	6.4
349.09045	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.5
60.93304	0.5
61.98829	100.0
62.98557	0.5
63.99246	1.1
70.66216	1.0
71.93420	0.4
74.67626	0.5
91.21371	0.5
162.98476	1.9
168.55647	0.4
182.08966	0.5
203.45280	0.5
203.68408	0.5
203.99983	1.3
205.00102	3.0
205.99661	4.0
206.97437	65.4
207.97481	3.4
216.03625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44392	0.2
59.01379	4.2
60.01717	0.4
60.27811	0.2
61.98829	100.0
69.76693	0.8
126.63964	0.2
201.02516	0.5
202.02690	2.0
203.02277	2.1
203.99983	43.5
205.00125	3.1
288.93170	0.2
346.00803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.2
69.17809	3.1
69.18245	3.9
71.01370	3.2
72.99296	2.3
73.02921	1.0
74.51523	0.9
75.00872	19.1
75.37381	0.6
86.68846	0.6
87.00877	1.4
89.02451	4.8
95.23250	0.6
101.02438	1.3
108.73896	0.6
111.08167	1.7
117.01965	3.3
135.03000	72.5
136.03256	1.7
140.14235	0.7
165.11435	1.3
165.12840	26.2
166.13165	1.1
183.13898	100.0
184.14240	3.9
209.11816	1.5
216.47075	0.6
227.12885	83.6
228.13179	5.0
345.15610	11.2
345.22556	0.9
346.15863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22646	0.2
54.51636	0.2
57.03445	0.8
59.01372	0.7
69.03471	0.3
69.55521	0.4
69.55918	1.0
71.01372	1.1
72.99314	0.2
73.02959	0.3
75.00859	1.3
79.86179	0.2
83.76583	0.2
85.60130	0.2
89.02451	0.3
99.00891	0.2
100.73220	0.2
108.70659	0.1
111.08154	2.1
111.19942	0.2
117.01916	0.9
134.01828	0.2
135.03003	3.6
165.12839	28.8
166.13161	1.6
181.12335	0.5
183.13890	100.0
184.14226	5.8
184.32294	0.2
191.10756	0.4
209.11833	2.5
210.02237	0.2
227.12871	78.1
228.11002	0.3
228.13196	4.7
277.24469	0.2
327.14832	0.2
345.15509	20.3
346.15900	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	345.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.8
58.57001	0.7
59.01384	4.6
71.01368	2.6
72.99285	0.9
75.00854	5.9
81.03458	0.9
83.05006	3.2
85.02929	0.9
87.45809	0.6
89.02426	2.3
93.13216	0.7
101.02427	1.9
111.08165	1.7
113.02495	0.7
117.01936	2.5
121.02926	0.6
125.02449	1.7
133.02959	2.6
134.03708	3.1
135.03000	26.1
135.04036	1.4
136.03409	0.8
137.02441	3.9
139.03992	1.3
143.99405	0.6
145.05055	1.3
161.02481	6.1
161.04527	0.8
165.12836	28.2
166.13150	2.0
169.01427	2.1
178.02611	1.0
180.88611	0.7
183.13893	100.0
184.14264	6.4
193.05045	61.5
194.05339	3.4
209.11801	2.5
209.44579	0.7
227.12875	84.8
228.13190	5.4
301.00058	0.9
303.21719	2.1
345.15518	18.1
345.22739	2.2
346.09872	1.2
346.16046	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	345.1088
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.98782	0.8
57.68252	0.9
59.01376	6.1
67.96247	0.8
69.35857	7.4
70.71656	0.9
71.01393	5.0
72.54350	1.0
74.59472	0.8
85.02940	1.6
87.00832	1.5
89.02413	2.7
95.03769	1.8
101.02423	2.4
104.05043	2.6
106.06615	4.4
113.02450	1.9
120.99634	4.2
121.02883	1.8
122.06097	2.6
123.04521	0.9
124.07681	6.1
132.04553	35.0
133.05344	22.2
134.03708	1.0
134.06169	5.6
146.03699	1.1
148.04060	1.6
149.06055	1.4
151.52249	0.9
161.06053	1.2
164.88690	1.0
165.02963	1.6
165.04308	22.1
165.05666	1.9
166.06221	1.0
167.07077	3.5
176.03471	1.0
176.07120	1.2
177.04237	4.1
178.05060	1.1
179.07115	3.0
183.10181	5.8
184.07547	1.4
185.08403	1.3
185.17827	0.9
186.09238	4.4
187.08780	1.1
191.05539	2.9
198.09221	1.3
209.03340	6.1
213.06660	4.0
214.12331	6.6
215.11870	8.5
226.07617	1.0
229.09746	4.1
240.10300	1.0
241.09662	3.1
255.11247	3.0
257.12897	26.3
258.13153	1.3
267.06567	2.7
282.08951	1.6
283.10956	7.7
297.11404	2.1
301.11914	18.9
327.09747	1.2
345.10806	100.0
346.11124	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	345.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75560	0.3
55.01876	1.4
59.01376	0.8
69.65207	1.5
69.65622	0.6
70.30979	0.3
71.01376	0.7
71.05022	8.5
83.01395	2.2
90.42442	0.3
93.70088	0.3
95.05033	2.3
96.77634	0.3
97.02951	12.6
101.02432	0.5
113.02609	0.3
115.04012	0.4
119.68809	0.3
123.04529	1.0
138.71077	0.3
139.04012	100.0
140.04338	3.1
153.05641	0.5
161.04590	0.3
163.04008	3.0
179.66270	0.3
181.05147	0.6
183.03023	1.3
191.05772	0.3
207.02931	0.6
213.05269	0.4
228.12904	0.3
345.08237	7.5
346.08621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0613
Annotation	Trichione
Peak:m/z	Relative Intensity
59.01377	3.2
69.38296	1.9
69.38724	3.6
71.01374	1.4
77.03989	1.1
84.92020	0.7
89.02453	1.4
93.03456	4.3
95.01374	1.8
100.06176	0.7
101.02462	1.1
105.03537	1.0
108.02166	16.1
109.02985	0.7
119.03479	0.8
121.02960	22.6
123.04521	17.8
132.04552	2.0
133.02948	11.6
133.05276	1.1
134.03709	2.1
135.04510	4.6
137.02448	0.8
145.02934	3.6
148.05244	1.1
158.03821	0.9
159.04478	2.0
160.01689	0.8
161.02463	3.4
162.03227	2.9
165.01910	5.3
165.04247	1.0
172.05237	1.3
178.02704	8.6
179.03404	2.0
185.06035	8.1
186.06837	3.8
199.03908	1.0
201.05643	0.9
201.09160	1.0
202.06210	0.8
212.04836	1.1
213.05574	2.2
214.06339	4.0
214.12416	0.8
227.03528	0.9
230.02097	1.8
241.04961	1.9
242.05833	18.0
243.06171	0.9
256.03769	1.5
257.08182	16.0
257.12793	1.3
269.08020	0.9
271.09912	0.8
286.04813	10.3
287.05292	1.0
287.09238	0.8
301.07156	100.0
302.01993	0.8
302.07492	8.8
315.08688	1.9
330.10828	3.5
345.06354	10.1
345.13687	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	344.9885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.4
68.75243	0.8
70.83456	1.6
71.01382	4.6
71.03846	0.8
74.99110	1.0
75.00854	1.2
85.02950	2.1
87.00874	1.6
89.02416	1.6
92.42406	0.8
93.03469	2.9
95.05009	0.9
97.02945	1.2
101.02409	1.2
109.02968	1.3
111.00839	0.8
113.02412	1.2
117.03435	0.9
118.98106	1.3
119.04982	0.8
119.64216	0.8
120.99657	1.5
123.04572	4.0
124.01639	1.6
125.02457	2.0
129.01921	1.0
129.03442	1.0
131.01352	0.9
133.02957	1.5
135.03012	0.8
135.04420	1.1
137.02429	1.6
139.00410	0.9
139.03990	4.0
143.01349	1.5
145.02934	3.1
147.00792	1.5
147.04434	0.9
149.02422	0.8
151.03979	1.0
155.01321	1.1
157.02921	1.3
161.02408	1.5
163.04010	2.0
165.01955	1.2
167.03452	4.6
167.07205	1.1
171.00830	7.7
173.02408	4.4
177.02092	1.2
177.04036	7.3
177.60672	0.8
183.03036	1.6
183.10283	1.1
185.02435	4.4
187.00334	3.1
189.01944	1.8
191.05621	7.4
193.98492	2.2
199.00380	6.1
200.01038	1.6
201.01939	5.2
214.99863	8.2
226.99832	8.9
227.07047	0.9
229.01364	7.6
230.02016	0.9
242.99316	16.1
243.99886	1.9
245.00935	4.0
254.99397	5.5
257.00851	3.2
270.98828	34.5
271.99155	1.7
273.00565	1.3
282.98746	2.5
283.99695	7.1
298.98340	15.4
299.99033	7.6
300.99884	100.0
302.00174	6.3
326.97791	96.4
327.98190	5.9
344.98868	49.5
345.04367	2.0
345.08487	5.8
345.15613	1.3
345.59033	1.1
345.99176	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.27916	0.4
57.03428	0.8
58.29905	0.5
59.01371	1.6
69.03469	2.1
70.93764	0.7
70.94076	0.6
71.01387	0.6
76.10825	0.4
83.05021	2.0
88.09138	0.4
97.06582	0.8
99.08158	10.4
99.65037	0.4
111.08147	0.5
121.02973	0.8
121.10210	1.1
125.09715	2.0
137.09682	1.0
140.53500	0.5
149.13310	0.8
151.11288	0.5
165.12825	0.6
166.06311	0.4
171.10263	8.5
175.11267	1.0
191.05586	1.0
191.10890	0.5
193.12329	18.2
194.12709	1.0
197.15465	1.3
211.13380	3.4
221.66652	0.5
225.14940	24.4
226.15306	1.2
243.15994	10.3
282.72604	0.5
293.21219	1.9
311.22272	1.1
325.23843	0.7
343.24866	100.0
344.25241	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.67992	1.1
59.01368	4.0
69.21664	10.8
71.01376	3.3
73.02946	1.2
78.66143	1.0
84.42791	1.0
85.02945	1.0
98.20649	2.2
99.08189	1.2
101.02462	2.5
109.02923	1.8
119.92165	1.0
121.02923	3.0
121.10213	12.5
125.09734	1.8
127.11272	3.0
136.87723	1.3
137.09763	2.5
139.11270	4.9
144.26643	1.0
144.53616	1.0
153.09126	1.0
157.19487	1.1
161.04645	1.4
166.06401	1.7
166.34698	1.0
171.10269	69.8
172.10603	3.8
181.08684	4.1
181.68205	1.1
191.05650	5.2
225.53078	1.1
293.21210	1.3
343.07672	1.6
343.24905	100.0
344.25293	11.0
345.09238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67992	1.1
59.01368	4.0
69.21664	10.8
71.01376	3.3
73.02946	1.2
78.66143	1.0
84.42791	1.0
85.02945	1.0
98.20649	2.2
99.08189	1.2
101.02462	2.5
109.02923	1.8
119.92165	1.0
121.02923	3.0
121.10213	12.5
125.09734	1.8
127.11272	3.0
136.87723	1.3
137.09763	2.5
139.11270	4.9
144.26643	1.0
144.53616	1.0
153.09126	1.0
157.19487	1.1
161.04645	1.4
166.06401	1.7
166.34698	1.0
171.10269	69.8
172.10603	3.8
181.08684	4.1
181.68205	1.1
191.05650	5.2
225.53078	1.1
293.21210	1.3
343.07672	1.6
343.24905	100.0
344.25293	11.0
345.09238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
59.01376	6.4
69.21317	1.7
69.21722	8.1
71.01379	17.2
85.02966	1.3
89.02435	1.1
101.02426	1.9
103.59634	0.9
103.68468	0.8
111.08139	1.4
113.02441	1.6
115.00378	12.5
115.70517	0.9
121.02908	1.2
133.01425	6.2
165.12830	25.3
165.14151	1.9
166.06322	1.8
171.10252	1.7
173.68227	1.1
181.08679	1.9
183.13896	87.9
184.14209	5.2
190.19562	1.0
191.05580	5.5
209.11816	2.6
227.12878	100.0
228.13176	5.9
273.73804	1.2
301.20139	2.6
343.07941	2.0
343.13815	3.6
343.21185	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	343.1397
Annotation	Taxuside
Peak:m/z	Relative Intensity
55.01868	5.5
57.03441	2.3
57.44928	1.1
58.00590	1.8
58.02281	1.4
59.01382	32.1
69.83250	5.6
71.01383	31.9
71.17613	1.2
72.99308	3.1
73.02947	12.4
75.00881	1.5
75.40019	1.4
83.01398	8.8
85.02956	18.2
86.00097	2.4
87.00871	4.1
89.02447	4.8
91.14319	1.1
95.01364	2.3
97.02940	1.5
97.66624	1.4
98.06030	1.1
99.00878	4.3
101.02451	32.6
111.00877	1.5
113.02466	13.7
119.03481	2.6
121.02927	8.5
122.03692	1.4
123.04490	1.2
125.02462	1.2
129.01901	1.7
135.04469	2.7
136.05333	2.1
140.51797	1.2
159.02954	1.9
161.04536	3.7
166.06345	47.8
167.07086	4.3
168.00563	1.4
168.61069	1.2
173.52490	1.4
180.04308	3.1
181.08708	61.0
182.08932	2.1
191.05673	2.7
236.35454	1.1
251.09244	1.1
273.16837	1.4
303.06546	1.2
328.11691	1.4
343.13965	100.0
344.14215	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	343.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.2
60.99264	0.2
66.70350	0.2
67.01885	0.3
69.87388	0.9
71.01384	1.4
73.75239	0.2
74.18050	0.2
83.05007	0.4
83.71015	0.3
85.02950	8.1
87.00877	1.6
89.02431	0.3
93.03445	2.9
99.04487	0.3
107.01359	0.3
109.02941	0.6
111.04527	1.1
112.25755	0.3
113.02387	0.3
119.05006	0.6
121.02990	0.4
125.02425	0.7
127.03978	1.9
137.02417	0.3
143.03529	0.3
169.01460	2.1
171.02974	0.5
173.04562	0.9
191.05608	100.0
192.05948	3.2
209.94939	0.2
215.14713	0.3
343.06647	4.1
343.10608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.2
61.01805	0.5
61.17210	0.4
69.79970	1.8
71.01374	2.3
72.37269	0.4
78.79282	0.3
85.02951	8.4
87.00881	2.0
89.02453	1.5
90.02760	0.4
91.02940	0.4
92.32753	0.4
93.03461	3.6
95.47772	0.4
99.04507	0.6
101.02457	0.6
107.01371	0.6
109.02966	0.9
111.04544	0.7
113.02435	0.8
119.03498	0.6
125.01581	0.6
125.02416	3.4
125.40488	0.4
127.04008	1.6
137.02428	0.8
168.00786	0.3
168.53012	0.3
169.01410	6.3
169.03691	0.3
171.02936	0.5
172.15112	0.4
173.04546	1.8
181.01340	0.3
191.05611	100.0
192.05960	3.5
343.06821	5.2
343.11401	1.1
344.06924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68999	0.6
53.18120	0.6
56.34942	0.6
57.03429	0.8
58.00585	1.5
59.01377	26.2
67.01893	0.8
69.03448	2.2
69.34186	4.8
71.01379	22.0
72.99299	1.0
81.03455	2.2
83.01359	1.2
83.05016	1.3
83.96731	0.6
84.02164	18.6
85.02949	4.7
87.00867	1.3
89.02444	27.7
95.01416	1.8
95.05032	1.0
97.02947	12.5
97.06573	1.2
98.20722	1.2
99.04511	5.4
101.02435	10.6
113.02446	8.3
119.03521	8.5
119.08652	3.4
125.09695	1.9
127.11277	1.6
131.03511	1.5
135.08144	2.3
137.09700	1.8
143.03476	2.3
149.04559	1.2
151.00327	1.2
161.02490	0.7
161.04544	3.8
171.10275	62.0
172.10590	2.4
175.00275	1.2
179.05626	10.9
179.07133	0.5
193.12296	2.0
211.13429	0.6
221.11792	2.8
225.14922	1.1
235.13370	2.2
239.12863	2.4
253.14442	2.0
255.32187	0.8
282.77713	0.6
283.09845	1.0
291.19516	3.0
311.09143	1.5
326.11737	1.4
341.06540	1.3
341.10718	12.1
341.23303	100.0
342.11343	0.7
342.23627	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	341.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
58.22924	0.5
59.01374	4.4
64.82242	0.5
69.03456	2.2
69.89034	2.5
71.01366	2.9
76.82273	0.4
83.05032	1.9
83.79870	0.5
84.02168	3.8
85.02947	0.6
89.02443	3.5
89.44615	0.6
95.05007	0.6
97.02941	1.7
97.06582	12.0
99.04511	1.2
101.02441	0.6
101.80585	0.6
113.02412	0.5
119.03521	1.4
125.09715	2.7
127.11275	0.6
130.08725	5.6
131.09059	1.7
135.08141	0.7
137.09688	1.5
149.13301	0.7
151.11246	0.8
165.12878	1.0
169.44154	0.6
171.10251	15.7
175.11246	1.2
179.05632	1.2
193.12320	17.8
194.12599	0.7
197.15416	1.0
203.10690	0.7
211.13350	3.6
221.11755	0.8
225.14934	23.2
226.15315	2.3
243.15979	10.6
244.16333	0.9
253.14499	1.5
273.18771	0.6
291.19669	1.3
330.19354	0.6
341.23288	100.0
342.23633	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
57.03440	8.5
58.00573	2.5
59.01374	62.3
67.01917	1.9
69.03438	7.8
70.85538	5.0
71.01378	42.5
71.05017	43.0
80.02654	3.1
81.03452	40.8
82.56184	1.9
83.01379	2.5
83.05020	27.0
84.02161	8.1
85.02932	4.5
87.00853	2.5
89.02437	49.4
95.01378	3.7
95.05033	16.3
97.02920	10.1
97.06577	8.6
98.03710	2.0
99.04518	49.5
101.02438	19.7
101.06083	2.2
106.04256	2.4
108.02152	3.4
109.02941	7.7
109.06573	8.9
111.04504	8.2
113.02457	11.4
113.06087	2.3
119.03516	15.1
119.89787	2.2
121.02927	2.4
123.08157	2.8
125.02425	2.7
125.09682	4.0
130.08701	3.8
133.06563	2.4
133.93533	2.3
135.08160	4.5
139.07657	2.5
143.03531	4.8
151.00362	7.2
151.07632	16.2
153.09178	4.8
161.02519	2.7
161.04527	4.6
165.09177	3.0
165.12846	2.8
171.10263	68.8
172.10550	2.8
175.00351	2.2
175.11272	3.0
179.05635	16.1
189.12857	4.6
191.14435	7.7
193.12332	31.0
199.13367	5.0
207.13875	2.5
209.11769	3.1
211.13373	4.9
217.12241	2.3
221.11925	2.2
225.14867	10.2
233.11836	4.9
235.11200	3.9
235.13373	50.2
236.13618	2.4
239.12907	3.1
243.17535	7.8
244.94424	1.9
249.15034	3.1
253.14423	100.0
254.14671	6.2
277.46970	2.1
287.16550	37.0
305.17621	21.1
311.09329	3.7
323.18713	8.2
329.38644	2.1
341.10785	20.0
341.14398	4.7
341.19724	7.6
341.23364	57.9
342.23596	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53778	1.3
57.03442	4.1
58.00612	1.3
59.01378	46.2
59.57227	1.6
69.03448	3.0
71.01384	28.1
71.05020	32.2
72.99304	2.3
80.59860	1.3
81.03460	31.2
83.05022	24.0
85.02959	4.6
87.04482	1.7
89.02442	34.0
95.01414	1.6
95.05033	11.4
95.25421	1.4
97.02937	5.9
97.06609	4.6
99.04523	34.9
101.02435	12.7
101.06083	2.1
107.04987	1.7
109.02941	5.3
109.06593	8.8
110.03665	1.7
111.04560	8.5
113.02434	10.4
119.03485	11.4
121.03023	1.4
121.06657	2.9
123.04500	2.2
123.08173	2.6
125.09701	2.7
131.03593	2.2
133.06567	3.2
135.04497	1.6
135.08138	2.2
139.07652	1.6
139.11198	2.0
143.03510	2.6
147.08136	1.7
149.09700	1.5
151.00377	2.0
151.07632	11.5
153.09224	2.0
155.10730	2.4
161.02386	3.4
161.04544	2.9
165.12807	2.7
170.27472	2.1
171.10271	34.6
177.12856	1.8
179.03447	1.8
179.05586	13.2
185.11720	1.6
189.12825	4.9
191.14435	7.2
193.12291	15.9
199.13501	3.1
205.15912	1.6
207.13884	2.0
209.11900	2.6
211.13365	5.3
219.82919	1.9
221.11763	1.8
223.13467	2.2
225.14941	1.5
233.11879	3.0
235.13379	48.9
236.13783	3.7
239.03214	1.6
243.17509	5.1
249.14969	2.9
251.12833	2.7
253.14430	100.0
254.14767	8.9
269.08224	1.6
287.16519	21.6
297.00336	1.7
305.17609	14.4
323.18591	8.2
340.47595	1.5
341.06583	4.9
341.10809	17.4
341.19684	10.4
341.27017	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	341.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.0
59.01374	29.4
59.38687	2.0
69.03455	4.5
69.21601	20.5
71.01375	18.5
71.05025	42.1
81.03448	36.0
83.05019	23.3
85.02957	2.8
89.02441	25.6
95.05030	16.0
96.66109	2.1
97.02947	7.1
97.06586	3.8
99.04522	41.8
99.05164	2.2
101.02448	7.8
109.02957	3.0
109.06600	7.7
110.03744	4.1
111.04527	8.4
113.02464	6.7
119.03461	10.4
121.06618	3.4
122.03739	2.6
123.08196	4.6
125.09745	2.5
133.06590	3.2
135.08203	2.6
137.06094	2.3
143.03560	2.3
150.06825	2.7
151.07678	16.7
154.76376	2.4
161.02412	2.4
161.04608	2.1
165.09248	3.1
171.10277	43.2
172.10651	2.0
179.03554	2.2
179.05573	9.5
185.11867	2.6
189.12801	5.4
191.14392	5.9
193.12321	18.7
199.13322	2.1
207.13818	4.1
209.11803	3.3
209.15475	2.1
211.13382	4.7
216.07800	2.0
217.12344	3.6
233.11823	3.0
235.13382	49.0
236.13692	3.1
243.17535	5.9
249.14923	2.7
253.14439	100.0
254.14748	8.9
274.71939	1.9
276.37195	2.1
287.16553	36.7
288.16968	2.4
305.17612	17.3
323.18646	9.3
332.08441	2.0
341.06912	3.3
341.10791	12.4
341.19626	9.0
341.23196	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70033	1.1
57.03481	1.7
58.00588	5.2
59.01379	100.0
66.08924	1.1
69.56281	2.3
69.56690	4.3
69.74529	1.2
71.01381	76.5
72.99309	3.0
73.02979	1.6
83.01399	2.1
85.02954	9.7
87.00894	4.6
89.02446	92.5
90.02747	1.3
95.01413	5.0
101.02443	36.0
113.02441	27.0
119.03499	34.3
131.02660	1.2
131.03477	5.9
133.02969	7.1
135.04514	5.2
143.03484	8.4
149.04558	3.7
150.10429	1.5
155.02074	1.1
161.02448	29.8
161.04460	8.2
162.02820	2.0
166.99864	1.1
179.03502	7.0
179.05612	35.5
180.05974	1.7
221.04553	1.2
240.30328	1.1
281.06616	1.6
288.89661	1.3
305.81107	1.0
341.10959	40.8
342.11374	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	341.1388
Annotation	Arisantetralone B
Peak:m/z	Relative Intensity
56.38117	0.4
59.01375	5.7
61.31064	0.6
67.91700	0.5
70.90402	0.6
70.91374	0.5
71.01384	4.4
71.52446	0.6
79.63847	0.6
83.01361	0.7
85.02915	1.0
87.00872	0.6
89.02448	5.8
91.05469	0.7
101.02438	3.1
108.13293	0.6
109.02902	2.0
113.02382	2.1
119.03419	1.9
123.00748	1.1
123.04494	1.2
135.04524	0.8
145.02946	4.2
154.61894	0.5
161.02409	1.0
166.51901	0.5
169.88458	0.5
177.01881	2.8
177.03214	0.6
179.03438	0.9
179.05598	2.4
181.08702	0.6
189.01949	2.9
190.02586	0.8
191.03381	0.6
196.05165	1.2
207.08078	0.6
211.07587	1.1
217.01454	1.2
222.06764	1.2
224.04784	5.9
225.05206	0.9
225.09036	1.3
227.10699	2.0
235.07430	1.1
238.06334	7.6
239.06995	0.8
239.10712	2.5
241.08699	3.6
251.07147	0.9
252.04237	1.4
252.07729	0.9
253.08661	1.2
254.09454	1.8
255.10254	9.8
264.07977	0.5
265.04990	1.2
265.08646	1.3
266.05786	5.1
267.06482	1.0
267.10150	1.5
269.11804	3.4
270.05460	1.0
270.12613	3.3
280.07364	0.7
281.04578	0.7
281.07779	0.8
282.08984	1.9
283.09747	47.3
284.10083	3.2
294.09009	2.1
295.09781	6.0
296.10425	3.7
297.07834	0.7
297.11078	2.4
298.12015	4.8
299.12375	0.9
309.11340	2.9
310.08630	1.3
310.12070	3.4
311.09235	100.0
312.09573	9.1
325.10803	13.8
325.14615	0.8
326.11563	72.5
327.11981	6.0
340.42261	0.5
341.06754	6.3
341.13934	81.8
342.07150	0.8
342.14230	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	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
57.03447	2.0
58.00585	4.2
59.01381	100.0
60.01728	1.1
69.26244	1.0
69.26388	1.8
69.26816	6.4
71.01383	66.5
71.67181	1.0
72.99310	2.1
73.02936	2.8
75.00858	1.4
83.01362	2.7
85.02962	7.7
87.00864	4.5
89.02446	75.3
95.01389	3.6
96.83252	1.1
101.02438	27.9
113.02458	24.5
119.03504	25.4
131.03500	4.4
143.03531	6.9
149.04518	2.8
161.02431	3.9
161.04555	9.3
169.78781	0.9
179.05611	29.3
277.76883	1.3
339.02042	1.1
341.10880	32.8
342.11179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11477	0.8
52.49770	0.8
52.91142	0.8
55.01859	1.0
57.03438	1.4
58.00583	3.9
59.01380	100.0
60.01693	1.1
69.63326	2.1
69.63712	1.9
71.01382	65.0
72.01704	0.8
72.99306	2.0
73.02943	2.1
73.13466	1.0
83.01400	1.9
85.02947	10.2
87.00874	3.4
89.02442	79.9
93.94578	0.8
95.01389	3.7
95.34984	0.8
97.02933	0.9
101.02441	29.4
108.56028	1.1
113.02450	26.7
119.03494	27.7
125.02478	1.4
127.77972	0.9
131.03497	3.7
143.03479	7.4
143.79742	0.8
149.04544	3.6
159.12540	1.0
161.04555	11.2
179.05606	33.6
189.81387	0.8
277.80652	0.9
297.99957	1.2
341.10858	35.5
342.11081	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03445	2.5
58.00591	2.5
58.48742	0.6
58.54597	0.6
59.01378	100.0
59.03768	0.6
60.01718	0.8
66.58125	0.7
67.44846	0.6
70.62083	2.0
70.62446	0.7
71.01380	68.4
71.72415	0.7
72.99310	3.6
73.02963	1.9
75.00882	2.4
83.01385	1.4
85.02950	10.4
87.00879	3.9
89.02441	86.0
90.02795	1.1
95.01376	2.8
101.02439	31.9
107.03484	1.2
108.21764	0.7
113.02444	23.9
114.02746	0.7
119.03499	30.6
131.03505	5.3
143.03493	7.4
149.04576	2.6
161.04544	7.9
179.05595	29.9
179.07199	1.3
180.05963	1.2
180.74393	0.7
237.06097	0.7
299.50992	0.7
341.10873	38.9
342.11221	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18871	0.7
59.01377	19.1
69.99992	0.6
71.01377	14.0
72.99337	0.6
75.00867	4.8
78.95462	0.6
85.02951	2.8
89.02441	16.0
89.03930	0.7
89.29629	0.6
91.05550	1.0
93.03461	0.9
95.01382	1.1
101.02433	6.0
113.02441	3.6
117.03492	1.2
119.03497	6.5
119.04966	1.1
121.02954	21.1
132.02180	2.6
133.02989	0.9
135.03004	10.7
135.04532	5.3
143.03481	2.3
147.04529	6.2
149.02441	94.5
150.02773	3.7
161.02432	4.3
161.04570	2.4
163.04013	1.0
164.04794	64.4
165.05130	2.9
177.05585	1.8
179.03517	5.8
179.05589	5.4
179.07141	4.2
180.06793	0.8
189.55341	0.6
208.03923	0.8
221.04463	1.6
223.06104	100.0
224.06448	5.7
251.05597	2.2
253.05154	0.7
281.06689	2.2
341.07901	0.8
341.10828	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	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
50.60532	1.1
58.00570	1.3
59.01381	22.6
64.45862	1.2
69.95718	4.1
71.01388	15.4
77.98449	1.0
78.57375	1.1
85.02948	2.9
88.93958	1.0
89.02448	10.4
92.18502	1.1
93.03455	1.1
95.01369	1.4
96.31211	1.1
100.00317	1.2
101.02412	7.0
107.05015	1.3
109.02911	1.5
113.02434	4.8
119.03499	2.5
133.02957	21.0
134.03726	7.4
135.04526	92.3
136.04842	3.2
137.02406	5.4
148.05293	3.1
149.06068	14.7
150.06326	1.4
161.02432	64.9
162.02786	2.9
177.05563	27.4
178.05930	1.5
179.03490	100.0
180.03821	3.3
193.05011	1.2
203.03484	1.5
221.04536	36.5
222.04866	2.6
233.04591	1.6
236.60178	1.2
251.05592	33.9
252.71854	1.1
257.51022	1.1
281.06647	56.8
282.07022	4.3
341.08627	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	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.6
69.46597	3.6
71.01384	5.9
72.93928	0.5
73.54266	0.6
74.72443	0.6
85.77365	0.9
87.00893	0.6
89.02447	3.3
89.84191	0.5
93.03441	0.8
93.52293	0.6
95.15295	0.6
98.20616	1.3
101.02434	2.2
107.05054	0.6
113.02441	0.9
119.03484	0.9
132.02071	0.6
133.02971	5.6
134.03751	4.5
135.04523	89.5
136.04837	1.7
137.02432	0.8
149.06104	2.7
161.02435	18.6
177.05563	4.9
179.03494	100.0
180.03812	3.5
221.04510	6.7
222.04823	1.2
228.95055	0.6
241.78778	0.6
251.05589	11.3
252.05988	1.1
281.06607	11.5
341.08627	10.7
342.08896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51005	0.9
59.01376	23.4
61.29994	1.0
63.32130	1.1
67.70229	1.0
71.01382	13.6
85.02937	2.0
88.56798	0.9
89.02444	10.5
90.02602	1.1
95.01363	1.0
98.20768	1.7
101.02429	5.4
109.02927	1.2
113.02454	3.1
119.03476	3.5
121.03883	1.0
132.02269	1.2
133.02950	15.3
134.03706	4.0
135.04523	83.9
136.04817	2.6
137.02411	3.7
148.05270	2.4
149.06081	12.7
159.04448	1.0
161.02435	64.5
162.02779	2.9
163.04031	1.0
175.04022	1.0
177.04088	1.7
177.05557	22.5
178.02644	1.0
178.05815	1.5
179.03496	100.0
180.03816	4.3
203.03482	2.3
221.04541	30.8
222.04820	2.9
233.04567	1.4
251.05597	33.9
251.66629	0.9
252.06073	2.5
257.98132	0.9
281.06659	56.6
282.07022	5.2
341.08398	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	341.0876
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.50774	0.4
52.95891	0.4
59.01379	7.1
69.99261	1.5
71.01382	3.8
72.14873	0.3
72.99289	0.3
85.02945	0.8
86.48882	0.4
89.02438	3.8
101.02449	1.3
103.73836	0.3
105.03434	0.4
113.02467	1.3
119.03487	1.2
120.48243	0.4
123.46142	0.4
132.02187	0.7
133.02954	24.2
134.03333	0.4
135.04526	9.1
149.06105	0.6
161.02438	100.0
162.02759	3.5
175.03984	0.6
177.05557	1.3
179.03490	19.4
179.05650	0.8
180.03813	0.7
193.12788	0.4
203.03452	2.0
203.16309	0.4
221.04538	1.6
249.17236	0.4
251.05605	1.6
281.06577	2.4
341.08649	9.7
342.09161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01372	2.8
66.33859	0.2
71.01382	2.1
71.05029	0.4
79.70171	0.2
81.03487	0.3
84.02176	0.5
85.02953	0.3
89.02448	2.2
97.02975	0.4
98.20707	0.4
99.04478	0.4
101.02432	1.0
111.08184	0.7
113.02476	0.6
116.72266	0.2
119.03519	0.8
119.56125	0.2
127.11333	0.2
130.08734	100.0
131.03543	0.2
131.09085	2.5
151.00401	0.2
161.04552	0.2
165.12831	5.0
165.14146	0.4
171.10262	2.6
179.05621	0.7
193.12268	0.3
209.11794	0.5
211.43962	0.2
234.22136	0.3
235.13451	0.4
253.14445	0.7
278.21246	2.4
279.21594	0.2
287.16644	0.3
291.19705	0.3
296.22278	1.1
322.20166	1.9
340.21243	29.2
341.10760	0.9
341.23526	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
58.84022	0.4
60.11102	0.4
66.91941	0.3
70.83091	1.1
73.07634	0.4
74.12487	0.4
74.81454	0.4
84.97929	0.4
87.82705	0.4
118.11636	0.6
163.11290	100.0
164.11607	4.1
216.99652	0.5
339.23267	76.5
340.23639	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	339.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08166	0.5
57.03446	6.2
59.01378	34.4
69.03448	2.0
71.01379	0.8
72.99301	3.0
74.60901	0.5
77.06917	0.5
79.62902	0.5
83.05003	0.8
85.02978	0.8
85.06571	1.3
93.07074	3.1
97.06557	1.0
98.19931	2.0
101.02445	0.7
109.06588	2.9
129.09216	10.9
141.09230	0.6
152.31992	0.6
155.10773	2.5
171.75734	0.6
183.01128	0.6
195.13913	3.0
207.13802	1.3
229.02377	0.7
233.15547	0.7
279.11227	0.9
279.15997	18.9
280.16409	0.9
297.17056	100.0
298.17392	8.8
299.59872	0.6
309.00369	1.0
328.81186	0.7
339.05011	1.6
339.12268	0.6
339.17981	3.1
339.25864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01382	2.2
69.27343	2.5
71.01384	1.9
73.02955	1.4
83.01389	0.8
85.02951	1.4
87.00865	0.3
88.34119	0.3
88.56293	0.3
96.33858	0.3
99.00879	0.4
101.02448	3.4
113.02452	1.1
117.03459	22.1
118.03783	0.7
119.05027	4.5
129.49457	0.3
145.02948	100.0
146.03294	3.6
161.04538	0.5
163.04016	4.6
193.07159	1.3
279.82397	0.3
339.10806	39.5
340.11157	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	339.0718
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
50.12234	0.3
57.18734	0.3
58.07317	0.3
58.36695	0.3
59.01371	1.1
65.00335	0.8
65.03965	1.7
67.01891	0.9
68.99814	0.5
71.01403	0.3
80.02691	0.7
81.80656	0.3
87.94759	0.3
91.01894	52.7
92.02229	1.5
107.01391	0.4
108.02199	1.0
109.02954	14.2
110.03262	0.4
114.72102	0.3
121.02975	1.8
123.04542	0.8
133.02965	1.2
134.15511	0.3
135.00885	100.0
136.01140	3.2
137.02452	3.2
149.02443	1.0
151.03964	0.4
153.01935	58.8
154.02290	1.3
160.01726	0.3
161.02437	2.0
175.03961	0.5
177.01900	1.2
189.01945	1.5
214.57106	0.3
271.84406	0.3
279.05093	1.2
297.06076	1.2
339.07190	26.9
340.07593	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	337.0929
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
55.50329	0.3
57.03456	0.4
59.01369	0.5
60.99282	0.4
65.44904	0.3
67.01872	0.8
69.23313	2.8
71.01371	0.7
72.49233	0.3
73.02970	0.4
74.76451	0.3
81.03470	0.3
85.02945	6.6
87.00864	2.2
93.03455	6.5
109.02962	0.4
111.04507	1.1
117.03464	0.3
119.05002	2.2
127.04018	2.1
145.02885	0.7
163.04004	2.2
171.02930	0.5
173.04523	2.2
191.05605	100.0
192.05939	2.9
337.09232	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53974	0.7
55.01875	1.6
57.03449	1.9
58.00581	3.4
59.01378	87.0
60.99308	1.0
67.01879	3.4
69.03459	1.6
71.01380	47.1
71.11066	1.9
72.01693	0.9
72.99300	2.6
73.02944	2.1
73.44510	0.8
75.00876	0.9
75.84682	0.8
83.01384	2.0
83.05006	1.0
83.28881	1.0
85.02946	19.9
85.06584	6.4
87.00873	8.9
89.02441	44.5
90.02719	0.9
93.03455	23.9
94.03782	1.1
95.01383	4.4
99.00847	2.1
101.02435	28.3
102.02803	1.0
105.78056	0.9
109.02924	1.7
111.04517	4.3
113.02444	17.2
113.06079	1.0
115.00355	2.0
119.03500	23.9
119.04985	9.5
127.04021	2.1
129.01921	2.3
131.03474	2.2
135.04517	1.7
143.03468	2.2
147.04501	1.0
149.04590	0.8
149.04968	1.0
149.06058	7.6
155.03516	1.5
161.02460	2.1
161.04549	2.0
163.04004	8.8
173.04546	11.8
175.02487	1.1
175.03964	2.0
177.01881	1.8
179.05592	3.4
191.05600	98.5
192.05922	3.8
219.03020	2.4
219.76649	0.9
233.04468	2.1
237.03963	2.5
252.38786	0.8
288.30460	0.9
337.08795	2.8
337.15005	100.0
338.15369	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	337.0928
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.25856	0.3
57.03429	0.7
59.01365	1.3
60.99298	1.0
67.01893	3.5
69.03451	1.1
69.57076	2.5
71.01381	1.6
81.03462	0.9
83.05012	0.8
85.02944	6.2
87.00874	5.3
91.44492	0.4
93.03456	21.5
99.00861	0.5
99.72584	0.4
109.02927	0.4
111.04519	2.8
112.22781	0.4
113.02406	0.5
117.03491	0.4
119.05027	8.1
120.05386	0.5
127.03996	1.5
129.01950	0.6
145.02951	1.4
155.03435	0.7
163.04007	7.3
164.04352	0.4
171.02980	0.4
173.04555	8.9
191.05602	100.0
192.05966	3.9
243.92432	0.4
267.01328	0.4
337.09302	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
57.96439	1.0
59.01378	4.0
60.18815	0.7
61.16248	0.7
67.01891	0.8
68.99805	3.3
70.10019	1.8
70.10410	1.6
71.01374	4.3
73.02934	1.4
75.00881	1.7
83.01378	2.5
85.02953	9.2
87.00867	2.9
89.02441	1.4
91.82196	0.7
93.03455	5.5
98.20621	1.6
99.00869	4.8
101.02418	3.1
111.00867	1.8
111.04451	1.0
113.02450	7.3
113.99586	19.4
115.00408	6.9
116.77198	0.7
119.05011	1.9
127.00356	2.4
129.01912	3.0
131.98076	0.8
139.00331	1.0
145.02928	0.9
155.03485	0.8
157.01401	3.9
157.84068	0.8
161.02393	1.0
163.03996	1.8
169.01421	2.0
173.04503	2.1
174.01689	17.0
175.02380	2.3
175.09796	1.8
179.00043	0.7
189.01912	2.4
190.02666	0.8
191.05609	7.6
199.07123	0.7
217.01302	1.2
249.04041	1.5
261.00366	2.5
277.05649	20.3
337.07727	100.0
337.14792	4.6
337.59470	2.2
338.08096	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	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03430	1.0
59.01387	2.2
68.99812	3.0
69.03448	0.7
70.00271	0.9
71.01376	3.1
71.70163	0.3
73.02938	1.2
75.00851	0.9
81.38712	0.3
82.04922	0.3
83.01369	1.7
85.02944	6.7
87.00866	2.5
89.02449	0.6
93.03465	0.7
95.01376	1.1
96.99334	0.4
97.00976	0.3
97.02957	0.6
98.19804	0.3
98.21622	0.3
99.00879	5.5
101.02422	2.1
109.03014	0.4
111.00881	1.9
112.98769	0.4
113.01723	0.5
113.02448	6.2
113.99583	19.6
115.00378	7.3
119.05001	0.3
127.00376	3.6
129.01956	2.9
139.00381	0.9
141.01929	0.5
150.09470	0.3
155.60364	0.3
157.01421	5.3
169.01431	1.3
173.04465	0.4
174.01677	16.8
174.09119	0.3
175.02385	1.6
188.94118	0.3
191.05646	0.5
215.34187	0.3
249.04408	0.4
277.05627	21.0
278.05930	0.7
337.07742	100.0
338.08075	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	337.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74170	2.0
59.01383	39.5
68.99826	3.6
71.01390	11.0
71.51817	2.9
71.52203	2.8
72.99333	2.3
73.02945	4.0
76.11060	2.0
83.01399	2.1
85.02956	18.0
87.00877	6.6
87.04514	11.9
89.02436	7.5
93.03458	17.6
99.00881	7.7
101.02431	4.5
111.00863	3.6
113.02441	9.8
113.99593	18.5
115.00376	7.4
119.05006	5.0
129.01935	3.6
137.02426	7.7
139.03983	3.1
145.02896	2.7
147.02959	3.1
148.26360	2.3
157.01369	4.5
158.87234	2.2
161.02391	3.3
163.03998	9.4
169.01401	3.6
171.38921	2.3
173.04561	3.6
174.01680	12.5
175.02362	3.8
175.03868	2.7
191.05571	15.6
227.54637	2.3
249.04073	3.4
277.05585	17.6
337.07745	100.0
337.11151	7.7
337.15005	8.9
338.08041	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	337.0776
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.03448	0.6
59.01368	2.2
62.46856	0.5
68.99815	2.9
69.03429	0.6
69.15311	0.5
70.11559	2.2
71.01389	2.8
73.02933	1.2
73.13392	0.5
75.00876	0.7
83.01390	1.7
85.02940	5.0
87.00868	1.6
89.02428	0.7
95.01397	1.1
99.00880	4.8
101.02467	1.4
111.00879	1.9
113.02441	4.9
113.99585	16.9
115.00375	6.9
127.00371	2.9
129.01958	3.2
135.01678	0.5
139.00349	1.0
141.01924	0.5
155.20396	0.5
157.01395	3.8
169.01375	1.5
174.01682	13.6
175.02425	1.1
249.00204	0.7
266.59668	0.6
277.05618	19.3
337.07739	100.0
338.08197	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	335.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43751	4.8
75.43945	0.7
77.66341	0.6
87.00874	4.2
103.02900	0.8
153.58279	0.7
182.56575	0.7
183.03047	0.9
183.13879	5.3
193.01447	0.8
194.93573	0.8
195.13878	7.0
211.13333	2.5
212.05771	0.9
212.34744	0.9
213.14954	43.5
214.15329	1.7
229.12770	3.5
247.13722	85.7
248.14047	5.9
335.03180	2.3
335.15332	100.0
336.15741	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	335.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69730	0.3
59.73668	0.3
69.25563	2.4
69.25960	0.6
111.00873	1.7
124.01649	2.4
127.00391	0.8
136.98790	1.5
139.00363	1.6
140.01138	3.1
168.00636	5.5
183.02977	100.0
184.03325	3.7
186.32854	0.3
206.91620	0.3
335.04175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83491	1.0
54.25305	1.0
57.03439	1.4
57.13904	0.8
58.00603	2.0
59.01379	72.1
61.98822	1.0
62.23317	0.9
64.60213	0.9
69.33076	2.0
69.33479	5.8
71.01385	39.5
72.01682	1.0
72.99295	3.4
73.02946	1.3
82.36288	1.0
83.01382	2.0
85.02952	10.7
87.00864	2.8
89.02444	41.8
95.01382	2.9
98.19907	1.6
99.00877	2.1
101.02444	30.4
104.53777	1.0
111.04493	1.0
111.08185	1.7
113.02446	16.3
119.03494	19.8
120.99609	1.0
131.03484	2.0
143.03448	1.7
155.07129	5.4
161.04536	1.5
172.54681	1.1
173.08127	3.7
175.03964	1.8
179.03447	1.3
179.05569	2.9
189.42209	0.9
203.03368	1.2
247.02235	1.0
284.08084	1.1
335.10132	3.7
335.13437	100.0
336.13834	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	335.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15730	0.2
52.65204	0.2
56.97724	0.2
62.31690	0.2
63.56277	0.2
69.27515	2.1
69.95525	0.2
71.01367	0.3
72.99274	0.2
81.30708	0.3
82.00590	0.4
82.67294	0.2
83.01366	0.3
110.00089	0.4
111.00887	2.2
123.00901	0.3
124.01659	2.6
127.00379	0.8
128.65842	0.2
136.98827	1.6
139.00389	1.6
140.01169	3.1
148.15889	0.2
168.00656	5.4
183.02986	100.0
184.03340	3.8
206.36168	0.2
335.04108	0.8
349.17639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0407
Annotation	Dantrolene sodium anhydrous
Peak:m/z	Relative Intensity
54.25657	0.8
59.01367	1.3
70.93671	0.8
90.30251	0.7
93.03464	2.8
131.01352	1.3
133.02939	3.2
134.03743	1.1
135.02965	3.3
135.04529	18.3
137.02402	1.5
143.01369	1.6
147.00888	1.0
149.02448	0.8
159.00873	2.6
159.04453	1.9
160.01590	2.0
161.02473	6.1
171.00873	4.0
175.04021	1.2
176.01089	1.9
179.03499	16.1
180.03882	1.0
187.00327	5.6
187.04004	2.8
188.01149	2.5
189.01837	2.0
190.99857	1.5
191.03404	0.8
199.00423	1.3
203.03432	2.4
204.00555	1.3
214.99866	6.8
215.03362	0.9
216.00612	9.4
217.01254	2.6
219.02948	2.1
229.01410	1.1
231.02916	1.2
232.00145	1.2
233.00893	2.9
233.98080	3.8
242.99316	14.4
243.02937	1.5
244.00063	4.8
247.02432	3.7
247.05984	0.9
248.03294	2.2
259.99619	10.1
261.00360	4.7
268.35034	0.9
270.98807	13.9
271.99518	2.9
273.00394	0.8
275.01984	19.5
275.05029	1.3
276.02365	1.0
291.05127	1.3
303.01413	12.2
303.04556	1.2
304.02078	2.8
307.04626	2.9
316.98254	1.2
335.04071	100.0
335.07620	6.7
336.04425	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	333.0614
Annotation	Cedrin
Peak:m/z	Relative Intensity
59.01366	0.8
62.97126	0.3
63.92269	0.2
67.01894	0.7
68.99831	0.4
69.03454	1.1
69.55336	0.3
69.72869	1.5
71.01373	0.8
73.02934	0.4
77.03975	1.9
83.01364	1.6
85.02979	0.6
93.03447	2.9
95.01393	1.2
97.02950	10.3
98.03313	0.3
98.20593	0.6
101.02461	0.4
109.02956	2.1
113.02472	0.5
121.02955	11.0
123.00875	0.8
137.02440	36.7
138.02847	0.9
141.01961	0.3
141.56740	0.3
159.00883	0.6
163.00395	0.5
165.01926	100.0
166.02216	3.1
197.04544	37.3
198.04913	1.4
202.99930	0.4
209.00935	1.6
214.99896	0.9
223.02556	0.4
230.99315	1.0
242.99525	0.3
257.04388	0.7
261.00488	0.7
284.03296	0.5
286.98199	1.6
301.03500	7.3
302.03900	0.5
314.97787	5.2
315.05115	0.5
315.98187	0.3
332.99048	0.5
333.06152	2.2
333.09827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0615
Annotation	Cedrin
Peak:m/z	Relative Intensity
54.63559	1.0
55.94844	1.0
57.03427	1.7
57.96424	1.0
59.01371	1.8
63.02394	1.1
65.00320	11.0
69.29501	8.3
72.31862	0.9
76.52740	0.9
77.25488	0.9
81.03442	1.4
83.01365	6.9
83.05074	1.1
84.40863	0.9
85.65241	1.0
93.03452	4.2
95.01404	1.8
95.05044	2.5
97.02958	10.5
105.03500	1.2
107.01388	4.0
108.02155	1.3
109.02945	26.0
119.01319	1.0
121.02957	15.2
123.00881	3.6
123.04513	13.7
124.41402	1.1
125.02433	11.8
133.02937	1.2
135.00906	6.6
135.04559	1.7
137.02437	13.1
139.03979	4.2
142.12941	1.1
145.02946	1.8
145.78238	1.2
146.03705	1.0
149.02428	12.5
151.00386	9.3
151.03992	12.7
159.04504	3.8
161.02452	2.4
161.06076	2.9
162.03189	1.4
163.00368	59.9
164.00986	3.3
165.01929	31.3
169.01369	1.3
177.01912	12.4
181.01390	12.4
185.06091	1.6
187.03981	3.4
188.04788	1.2
189.01921	1.0
189.99074	2.9
193.01392	2.3
201.05527	2.4
203.07141	4.4
205.01416	4.2
205.05051	7.9
206.02219	1.8
211.04089	1.6
212.22044	1.0
215.09280	2.4
227.03534	1.1
227.07265	2.1
229.05029	16.8
231.02950	7.5
243.06737	1.4
245.08136	3.5
247.06126	8.9
257.04556	1.4
271.06122	5.3
273.04062	2.6
289.07181	15.2
297.04077	4.1
315.05081	100.0
316.05469	6.1
333.06128	84.7
334.06543	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	333.0251
Annotation	8-Hydroxyquercetagetin
Peak:m/z	Relative Intensity
55.01878	2.2
59.01382	1.7
65.00320	6.7
67.01907	4.1
71.01383	2.1
71.53366	1.1
79.29446	0.7
80.99831	1.4
83.01404	2.3
85.02943	1.1
87.67134	0.8
92.99815	1.5
95.01394	4.7
97.02982	1.9
108.02181	1.2
111.00881	41.6
123.00907	5.6
130.04237	1.5
133.03011	1.3
136.98795	2.0
137.02393	0.8
139.00371	100.0
140.00729	1.8
141.01968	1.5
142.54845	0.7
145.02960	1.9
149.02477	1.8
151.00447	1.0
152.01176	2.3
153.01978	2.0
158.03741	1.8
159.00847	1.6
160.01634	1.1
161.02432	3.2
163.00386	0.8
164.98282	15.9
165.01872	1.1
166.99817	1.6
167.03493	26.3
168.03970	0.8
173.02403	2.2
174.03215	3.6
175.00302	1.0
177.01900	1.4
181.01418	3.4
182.02159	5.6
183.03015	1.4
185.02393	0.8
187.00394	1.2
189.01941	2.0
189.05545	2.7
191.03508	1.1
201.01913	1.1
203.03471	2.2
204.79655	0.8
205.05061	5.9
214.99831	2.7
215.03532	1.6
217.01497	2.3
217.05022	5.8
219.03017	3.6
221.20966	0.7
230.99324	3.1
231.02974	11.4
232.03676	2.4
233.04532	11.1
243.02982	1.7
245.00870	1.1
245.04579	1.5
247.02487	2.9
259.02411	9.1
261.00293	1.9
261.04092	4.6
271.02423	1.8
273.00504	0.9
274.89212	0.8
286.98349	5.1
287.01981	2.0
289.00269	1.4
289.03531	12.4
300.99939	8.5
305.03030	5.0
314.97806	18.8
315.01486	11.2
315.98074	1.9
332.99258	2.4
333.02487	68.2
333.66238	0.8
333.99228	0.9
334.02719	3.7
334.64813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0251
Annotation	Hibiscetin
Peak:m/z	Relative Intensity
53.00296	0.9
58.39308	0.7
62.40890	0.9
63.63791	0.9
65.00320	7.7
67.01884	1.5
69.89924	1.4
69.90336	3.1
77.03947	1.2
78.56745	0.7
80.99816	1.8
81.35306	0.7
91.01898	1.1
92.99808	2.4
93.03450	1.0
94.76505	0.7
95.01384	6.0
108.02185	2.0
111.00868	10.2
117.03468	1.3
118.45327	0.7
120.02185	0.8
122.03733	1.0
123.00874	1.6
123.04522	0.8
124.98816	0.9
125.02450	1.0
129.31270	0.7
132.02184	0.8
133.02969	1.3
136.98781	1.5
139.00375	20.5
144.02209	0.7
145.02933	2.4
147.00813	0.8
149.02423	2.5
160.01619	1.2
161.02419	2.6
164.98308	6.7
166.99861	0.8
167.02164	1.5
167.03491	22.0
172.01624	1.5
173.02325	1.7
174.03171	3.2
175.03983	1.2
177.01917	2.7
177.99074	3.8
181.01431	1.3
182.02199	1.8
183.02957	1.2
189.05577	1.0
193.01431	9.0
201.01886	1.2
203.03484	2.6
205.05029	3.2
215.03571	1.4
217.05066	3.7
218.02180	1.1
219.02992	3.9
229.01425	1.3
230.99399	1.1
231.03000	2.7
232.03757	1.3
233.00986	1.4
233.04538	16.5
235.02484	1.3
243.03006	1.9
244.18335	0.7
245.00804	1.0
245.04613	1.1
247.02367	1.3
249.03976	3.0
259.02466	29.1
260.02774	1.7
261.00485	0.8
261.03983	3.8
271.02319	1.0
273.00473	0.8
277.03378	1.1
286.98331	3.0
287.01944	8.3
288.02618	1.5
288.63263	0.7
289.03528	13.0
305.02917	1.5
314.97787	6.2
315.01480	7.1
333.02499	100.0
334.02713	7.4
350.76706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.0
66.89801	0.3
71.01387	1.4
71.53506	0.5
73.02939	0.6
85.02957	0.6
89.02437	0.6
93.03501	0.3
101.02433	0.6
113.02448	0.4
117.01937	0.5
125.02431	0.5
135.02962	0.6
151.00432	0.5
153.01935	1.1
168.04262	0.7
169.01392	0.5
182.07291	0.3
183.13899	13.9
184.14232	0.5
187.00362	0.4
195.13908	13.2
196.14293	0.9
213.14958	100.0
214.15306	6.2
230.99307	1.0
260.36633	0.3
266.67865	0.3
286.98337	0.4
330.97354	1.2
331.06882	0.5
331.17612	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	332.9884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01102	0.8
59.01381	9.0
60.01713	1.2
69.84375	2.4
71.01379	11.8
71.46482	0.6
72.01731	2.7
72.99290	0.5
73.02943	2.8
75.00874	1.7
83.01382	1.2
85.02952	3.4
86.03278	1.2
87.00869	0.8
89.02444	4.5
90.02780	0.8
91.01884	0.6
91.02885	0.6
93.03433	1.2
95.01389	0.9
97.02929	0.6
98.19998	1.0
99.00873	0.9
101.02426	5.9
102.02765	1.2
103.01918	0.7
103.02853	0.7
105.03457	1.6
109.02956	0.8
113.02439	3.5
114.02756	1.6
117.03476	1.3
117.61472	0.5
119.01469	0.8
119.03481	1.5
119.15311	0.5
121.02959	1.4
125.02458	1.2
131.01390	2.5
132.78050	0.5
133.02959	3.7
137.02454	0.7
143.01431	0.6
144.99181	0.5
145.02972	1.2
147.00854	1.9
149.02406	1.6
159.00853	8.4
159.02985	0.5
161.02425	8.2
161.04552	1.3
162.04924	1.4
163.00421	0.9
163.05099	0.6
165.01898	0.7
171.00929	0.9
173.02449	1.3
175.00377	3.6
177.01910	4.5
185.11855	2.7
187.00360	5.7
187.07474	0.6
189.01872	3.9
191.03529	0.8
202.99846	6.3
203.11018	0.7
205.01448	3.6
214.99866	14.1
215.12817	0.8
216.00272	0.8
217.01382	2.5
218.99261	0.6
230.99330	14.4
231.99675	0.8
233.00903	5.2
242.99362	6.5
245.00888	1.5
257.08209	0.8
258.98792	2.2
261.00388	17.2
262.00772	1.0
270.98773	2.5
286.98322	28.6
287.98636	1.2
288.99927	6.7
289.10742	1.4
291.17923	0.8
314.97812	100.0
315.98184	5.7
332.98853	10.7
333.02655	0.6
333.05789	1.1
333.09531	1.2
333.15500	1.8
333.19098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.1
57.03456	4.9
58.00584	2.6
59.01378	67.7
60.01701	0.7
69.03442	1.5
69.17743	5.1
69.18142	1.6
71.01379	100.0
72.01723	1.6
72.99316	4.3
73.02944	22.0
75.00872	0.9
81.03460	0.9
83.01381	9.6
84.02164	1.0
85.02950	36.9
87.00871	4.0
87.04493	0.7
89.02442	40.0
90.02776	0.9
95.01387	7.2
97.02926	1.7
99.00882	10.8
101.02439	57.6
102.02790	0.7
104.26450	0.6
111.00883	0.8
113.02447	37.4
114.02757	0.7
119.03508	13.6
125.02451	3.0
131.03461	1.3
135.04565	1.1
143.03493	4.3
153.01921	0.9
159.02983	5.3
161.04549	26.8
162.04924	1.2
169.12320	1.0
179.03429	1.1
185.79588	0.8
188.20642	0.7
225.09163	1.1
230.99377	1.4
287.09219	1.4
287.13330	0.8
330.97308	1.3
331.08261	1.6
331.17639	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	331.176
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01876	6.1
57.03448	4.3
58.00593	2.9
59.01378	69.7
67.01895	0.6
68.99833	0.5
69.03449	0.9
69.64227	2.5
71.01381	100.0
72.01727	0.9
72.99310	2.8
73.02947	22.1
75.00869	2.4
79.15076	0.5
81.03419	0.6
83.01382	9.1
84.02155	0.8
85.02950	38.8
86.03286	0.7
87.00867	3.8
89.02444	39.4
95.01386	7.4
97.02949	1.6
99.00883	9.9
101.02442	52.5
102.02779	0.9
107.45457	0.4
113.02446	36.2
114.02757	0.6
119.02683	0.9
119.03500	17.2
125.02466	2.3
129.01878	1.9
131.03442	1.6
135.04439	0.9
143.03506	3.1
149.04543	1.2
153.01880	0.6
159.03003	5.7
161.04552	22.8
163.00327	0.4
168.00586	0.4
169.01323	1.3
176.34306	0.5
179.03481	0.5
179.05464	1.0
179.26816	0.5
183.10252	0.5
230.99161	1.1
231.93365	0.5
258.98447	0.6
287.01727	0.8
315.98395	0.5
330.97226	0.8
331.00720	0.6
331.17346	1.7
352.18604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.8
57.03445	4.6
58.00594	3.8
59.01378	78.3
69.03432	3.5
70.08533	0.9
71.01380	100.0
72.01712	1.5
72.99314	4.3
73.02950	18.6
75.00866	6.3
81.03477	0.8
83.01385	8.9
84.02177	0.9
85.02950	35.8
86.03290	1.1
87.00883	4.7
89.02443	51.9
93.03473	1.8
95.01389	7.9
96.49902	0.7
97.02955	2.2
98.19839	1.5
99.00875	11.0
101.02441	52.9
111.00872	1.2
113.02447	38.1
118.03883	0.7
119.02666	1.4
119.03497	18.2
125.02438	5.3
129.01936	2.8
131.03456	2.3
135.04498	2.9
139.11290	2.1
143.03491	3.0
147.02982	5.4
149.04552	1.5
149.99599	0.9
151.00409	1.0
153.01871	0.9
159.02982	5.7
161.03264	1.3
161.04549	23.7
168.00580	2.2
169.01337	1.1
179.03453	3.6
179.05554	1.3
183.10233	15.2
191.05608	1.9
192.05928	1.1
230.99205	0.9
243.11263	1.4
289.11298	0.9
303.37070	0.8
309.53302	0.8
331.06656	2.9
331.13873	6.5
331.17596	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	331.1033
Annotation	1beta-(3-Hydroxy-4,5-dimethoxyphenyl)-O-glucopyranoside
Peak:m/z	Relative Intensity
54.44134	0.4
57.03446	1.4
57.97831	0.5
59.01373	0.9
69.30064	3.5
71.01385	1.6
72.99331	0.6
73.02943	0.6
75.31021	0.5
77.67574	0.6
81.03457	0.5
82.00597	1.0
83.01391	4.6
85.02950	2.6
85.88037	0.5
87.82792	0.4
95.87184	0.4
98.11481	0.4
99.00865	1.1
101.02434	1.3
103.65404	0.5
104.99308	0.4
105.29776	0.5
107.01385	0.8
110.00100	7.4
110.33434	0.5
113.02441	2.3
123.00893	1.1
124.01670	0.9
125.02440	22.9
126.02815	0.7
137.99585	9.0
138.03226	0.8
139.00418	2.1
140.01163	0.7
140.78279	0.4
148.65961	0.4
149.02419	0.8
151.00380	4.5
152.01138	3.1
153.01932	100.0
154.02646	4.0
155.03494	2.1
161.04541	0.9
166.02710	1.0
167.03503	12.2
168.04272	52.3
169.01419	19.8
169.05051	8.9
170.01768	0.8
179.03502	0.7
181.05099	0.7
191.03468	1.0
194.02147	0.6
196.03673	0.7
209.04498	1.0
211.06090	0.9
221.04617	0.6
246.26814	0.5
313.05743	0.5
323.69562	0.5
331.06659	6.9
331.10394	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	331.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.0
57.03446	12.4
58.00586	3.7
59.01066	2.1
59.01378	70.3
69.03452	16.6
71.01381	100.0
71.05022	3.1
72.99306	6.8
73.02945	20.7
75.00871	27.4
83.01393	12.5
84.02151	1.4
85.02949	41.8
87.00896	3.9
89.02438	34.4
91.40532	1.3
95.01369	6.2
99.00877	13.4
101.02444	58.7
111.00890	2.5
111.08162	5.6
113.02448	38.3
113.06080	2.4
119.03510	15.0
125.02457	6.8
129.01959	8.7
139.11288	28.6
140.40385	1.3
143.03506	4.3
147.03004	27.5
149.99629	2.0
153.01915	1.8
159.02980	4.3
161.04552	27.8
168.00665	3.7
179.03511	1.8
182.39319	1.3
183.10254	97.0
184.10591	4.0
290.95343	1.3
303.72745	1.3
331.06912	5.1
331.14008	42.8
331.17633	4.9
332.14157	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	331.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01112	1.1
59.01381	15.3
63.19969	0.8
69.03461	0.9
70.66151	1.7
70.66483	0.9
71.01379	5.7
78.24308	0.7
79.01878	2.8
81.03451	0.9
83.01380	3.3
85.02929	0.9
89.02459	5.1
91.07754	0.8
91.55965	0.7
95.01396	2.0
96.75891	0.8
97.02957	1.4
101.02447	4.4
107.01401	5.9
113.02441	2.8
119.03484	1.0
123.00874	12.3
124.01670	7.1
125.02448	55.2
126.02798	1.2
139.00400	4.6
140.01114	0.9
141.01956	0.9
149.99565	6.8
151.00372	15.0
153.01898	1.1
167.03461	1.2
168.00638	20.8
169.01419	68.1
170.01749	1.1
183.02950	1.2
193.01407	2.1
194.51425	0.8
211.02496	11.6
241.03534	1.0
271.04572	8.1
313.05646	1.6
331.06683	100.0
332.07065	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	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
58.00589	1.3
59.01379	24.8
66.85805	1.0
67.01902	1.5
69.65057	4.3
71.01381	12.0
79.01896	1.9
81.09338	1.2
83.01355	2.1
85.02943	2.0
86.25000	0.9
89.02441	8.5
95.01379	3.4
97.02937	1.3
101.02427	4.1
107.01406	6.2
113.02450	5.3
115.01660	1.2
115.33303	1.0
119.03513	3.0
123.00890	19.2
124.01669	4.2
125.02441	58.4
126.02783	1.4
139.00356	5.0
140.01093	1.2
141.01921	1.7
151.00374	23.2
153.01982	2.2
167.03618	1.6
168.00615	6.7
169.01421	76.2
170.01695	1.8
193.01599	1.3
202.49863	1.1
202.84489	0.9
211.02477	13.6
241.03494	2.9
271.04562	9.7
298.82144	1.3
331.06702	100.0
332.06952	4.5
336.17462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
58.55914	0.5
59.01369	0.8
59.05751	0.6
62.21503	0.6
62.45829	0.6
69.03445	2.5
69.47296	3.4
74.17749	0.7
79.01903	1.8
81.03440	1.1
82.64462	0.7
83.01376	1.8
89.80715	0.6
95.01379	1.6
97.02951	2.3
107.01447	3.2
113.02468	0.7
123.00896	5.2
124.01666	14.2
125.02452	63.2
126.02775	1.4
129.92247	0.7
149.98363	1.5
149.99577	25.6
151.00307	2.2
153.01945	3.2
167.03487	1.7
168.00642	62.8
169.01434	19.3
196.30692	0.6
211.02495	0.8
215.88885	0.7
227.65538	0.7
313.05618	6.9
331.06702	100.0
332.07062	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	329.2331
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03422	0.6
58.00619	0.6
58.61787	0.6
59.01385	5.2
59.98543	0.5
71.01398	0.6
109.06587	0.8
111.08149	13.2
116.56779	0.5
116.70380	0.5
135.91249	0.5
139.00414	0.5
147.40450	0.5
149.02409	1.5
158.23978	0.5
158.84970	0.6
167.07101	1.3
171.10204	0.6
181.12318	1.5
183.13870	0.8
199.13390	75.3
200.13681	2.9
202.18973	0.5
211.13359	1.3
213.14943	1.1
229.14343	4.6
239.07466	0.8
241.14429	1.6
293.21152	0.9
311.22162	5.1
329.02774	0.9
329.23309	100.0
330.23679	7.1
333.32272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
56.51862	0.3
57.03449	1.4
59.01373	0.3
62.07611	0.2
69.03446	0.6
71.05013	0.5
76.16547	0.2
83.05016	0.5
85.02962	0.5
97.06590	0.6
98.20650	0.7
99.08154	6.8
111.08101	0.4
121.68044	0.3
122.96870	0.3
123.08160	0.3
125.09742	1.9
127.11287	4.1
129.09221	0.6
137.09758	0.4
139.11276	3.8
155.10793	0.5
155.14415	0.8
163.11372	0.3
165.12810	0.6
167.10774	0.7
167.14415	1.4
171.08800	0.6
171.10266	11.7
172.10638	0.6
172.31929	0.3
183.13892	5.7
193.12291	2.1
198.38286	0.3
199.13411	0.5
209.11903	1.6
211.13383	32.0
212.13730	1.8
225.68217	0.3
229.14426	16.9
230.14793	0.6
285.22867	0.3
293.21255	0.9
311.22235	1.3
329.23309	100.0
330.23660	8.5
330.27658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.0
57.03444	1.3
59.01378	100.0
60.01712	0.8
60.02010	0.7
63.99453	0.8
71.01380	9.3
71.10473	1.7
72.99329	0.8
73.02942	2.4
83.01382	1.8
85.02956	4.5
89.02457	2.1
95.01365	1.9
99.00865	1.8
101.02441	5.0
109.02952	2.1
110.72375	0.7
111.00873	0.9
113.02451	5.4
121.02996	0.8
123.04530	1.0
137.02428	2.6
145.03113	0.9
149.02390	1.1
161.04536	4.4
163.00293	1.1
165.01949	2.4
166.02766	1.2
167.03528	7.3
167.07166	1.5
177.67476	0.7
187.86885	0.7
209.00966	1.1
269.10309	3.8
306.11185	0.8
329.02951	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	329.1142
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
51.15963	1.6
52.56976	1.4
54.12733	1.5
55.12776	1.3
58.43888	1.3
59.01361	1.6
64.00420	1.2
71.01344	1.5
82.02986	11.1
82.38945	1.2
93.03428	1.6
94.32412	1.5
105.15570	1.3
106.06611	12.3
108.04515	2.1
110.02501	1.9
121.02928	4.3
121.45184	1.3
122.06076	2.5
132.03552	2.2
132.04552	33.2
133.05243	4.4
134.06126	48.5
135.04472	1.4
135.06459	1.7
136.03976	3.4
148.03992	2.3
149.01317	2.0
149.02435	34.6
149.04779	4.3
160.04036	21.5
160.05241	1.3
161.04819	50.5
162.05602	100.0
163.05890	2.1
164.04715	5.0
167.07034	2.3
176.03459	4.3
193.03789	57.9
194.04288	2.3
212.07060	5.9
213.07892	2.5
214.08623	5.4
215.08209	1.3
226.08717	3.1
240.10262	1.9
241.06178	10.9
242.11763	5.6
243.11282	3.8
254.06790	2.1
257.09314	15.3
268.09625	3.4
269.09106	6.0
285.12451	84.7
286.12750	6.7
311.10379	9.3
314.11679	8.1
329.11234	94.4
330.11569	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	329.0875
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.64263	1.4
50.70346	1.3
56.31536	1.3
57.03458	2.0
58.00586	3.3
59.01378	77.3
62.99999	1.4
64.59580	1.3
65.54164	1.2
67.01862	1.6
70.89837	3.3
71.01381	43.2
72.99290	4.0
74.12674	1.3
83.01379	2.9
85.02941	10.7
87.00873	2.4
89.02438	36.8
90.55859	1.7
91.01889	2.7
92.37933	1.2
95.01363	4.8
95.98959	1.4
101.02439	26.2
108.02161	4.1
109.02939	1.8
111.00836	1.8
112.45486	1.7
113.02429	16.6
118.98012	1.4
119.03502	9.5
123.00865	3.7
123.04520	15.7
125.02426	5.7
131.03517	1.3
132.54272	1.4
137.02455	9.7
138.03252	4.0
143.63055	1.5
149.02415	7.2
150.03186	2.5
151.00351	2.2
151.03979	2.9
152.01147	10.2
165.05591	2.4
166.02693	19.7
167.03488	78.2
168.03856	3.0
178.43347	1.3
179.03569	2.4
181.05022	9.4
182.05301	1.4
194.02196	2.6
209.04535	42.4
239.05556	6.1
269.06610	6.0
329.08743	100.0
330.09167	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	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01880	0.4
59.01376	2.8
70.80074	0.7
70.80408	0.6
71.01382	8.2
73.02950	2.7
75.00850	0.5
83.01382	1.0
85.02946	2.3
89.02453	0.9
95.01394	0.8
99.00877	1.3
99.04533	0.5
101.02444	5.2
106.60931	0.4
108.02187	1.3
109.02950	1.8
113.02451	6.4
121.02939	2.9
121.06696	0.4
122.03738	100.0
123.04578	12.6
124.04854	0.5
125.02430	0.9
135.04503	1.4
137.02449	1.9
137.06047	1.5
143.03506	0.7
147.04532	1.5
148.05270	0.5
149.02422	0.5
149.06046	0.4
150.03244	0.5
150.05588	1.4
159.02972	1.7
161.04558	8.5
162.04904	0.4
165.05568	5.7
166.02740	0.6
167.03497	2.5
177.05571	1.8
181.05077	0.7
209.04587	1.1
224.03510	0.4
275.07886	0.6
281.70648	0.4
285.09747	1.8
312.10892	0.6
329.08881	6.0
330.88892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03444	0.6
59.01375	2.7
65.00333	1.0
71.01383	2.0
71.10941	0.6
79.95743	0.6
81.03453	4.6
83.01385	2.6
85.02942	0.9
86.08949	0.3
89.02432	1.8
93.03489	0.5
95.01337	0.3
95.05012	0.8
99.04527	0.3
101.02438	1.1
107.01378	0.9
111.00853	0.4
113.00780	0.2
113.02464	1.1
119.03494	0.5
120.01041	0.3
121.02923	0.5
123.04525	31.8
124.04866	0.7
125.01531	0.4
125.02441	7.0
137.02429	0.8
138.03239	0.6
139.04002	0.7
149.01411	0.3
149.02380	1.3
149.06140	0.5
151.00369	1.9
153.05577	0.3
162.15202	0.2
163.04019	0.8
164.98598	0.4
165.02014	0.4
166.02719	1.9
167.03490	100.0
168.03833	2.9
182.99672	1.1
183.90617	0.3
191.03502	0.6
191.05222	0.3
209.04512	1.2
211.04305	0.4
232.73328	0.2
323.78571	0.3
326.57080	0.3
329.08725	2.5
329.11566	0.3
329.16425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38949	0.2
69.16946	1.8
71.29529	0.2
85.02952	0.2
98.20788	0.4
105.03479	0.5
107.38803	0.2
117.03465	5.9
118.04267	1.5
121.02954	5.7
123.00903	0.9
123.04522	2.2
133.02972	1.1
134.03697	0.8
139.00349	0.3
145.02951	14.4
146.03355	0.4
149.02429	0.3
151.00354	0.7
157.03308	0.2
162.03218	2.5
167.07098	0.3
177.05563	100.0
178.05902	4.9
193.05235	0.3
285.51639	0.2
298.24667	0.2
329.06635	2.0
329.23160	0.4
330.88684	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.7
59.01377	2.2
61.99451	0.8
65.69978	0.9
69.03454	1.1
71.01389	4.7
72.00905	12.6
73.02934	5.8
98.20647	2.8
104.14367	0.9
108.75372	1.0
155.70570	0.9
176.06999	1.0
223.20694	1.5
225.22217	12.3
230.95892	0.9
241.21709	16.2
253.21716	100.0
254.22112	7.2
255.23270	77.3
256.23624	6.1
266.24768	4.4
267.23111	1.7
269.21176	1.4
274.05887	0.9
284.25949	11.7
285.18573	18.0
299.22214	3.4
328.25095	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	327.2903
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
52.10261	0.7
59.01380	100.0
70.00953	0.8
70.64813	2.3
75.00865	1.8
76.61943	0.8
86.47857	0.8
111.00928	1.5
144.68323	0.9
174.90894	0.8
184.01419	1.0
185.00722	4.7
188.64267	0.8
269.24869	1.1
300.55359	1.0
327.18390	10.5
327.29016	69.5
328.29370	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	327.2903
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
55.39753	0.5
59.01371	1.5
59.22363	0.6
67.21054	0.6
69.43345	4.5
71.58366	0.6
83.05016	0.9
127.11233	1.6
171.10274	0.6
183.17519	1.3
185.00856	2.4
194.99271	1.4
246.27754	0.6
251.59554	0.8
281.28659	0.9
309.28094	1.7
325.27457	1.2
327.18387	7.2
327.29031	100.0
328.29346	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03442	1.8
57.15297	0.6
59.01341	0.8
69.03481	1.3
71.01881	0.8
83.05034	1.0
85.02956	5.9
95.05008	0.6
97.02935	1.1
97.06583	4.6
98.20696	0.7
104.05682	0.5
114.68385	0.6
125.09709	2.0
127.11261	1.4
131.33765	0.6
137.09708	1.2
148.77859	0.7
162.18173	0.6
165.12781	1.1
167.14386	1.3
171.10263	13.0
177.12781	1.5
181.12222	0.6
182.32228	0.6
183.13895	4.5
185.11821	1.5
193.12326	1.6
197.11809	0.7
201.11383	0.9
203.10779	1.0
209.11815	1.3
211.13380	21.5
212.13806	0.9
221.11836	3.3
229.14403	13.2
239.12889	2.4
266.37790	0.7
291.19626	2.9
291.24573	0.6
298.57010	0.6
309.20584	1.7
327.21741	100.0
328.22128	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	327.2902
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
56.66663	0.4
57.69317	0.4
63.90003	0.4
71.05032	0.4
83.05036	0.6
102.48002	0.4
107.55199	0.4
112.61962	0.4
122.58714	0.4
128.59766	0.4
128.81935	0.4
134.18724	0.4
138.33017	0.4
183.38435	0.4
184.01633	0.5
185.00719	2.7
194.99367	0.6
199.64555	0.4
247.14069	0.4
281.28494	1.3
309.28024	1.6
325.27475	1.2
327.18613	4.2
327.29019	100.0
328.18671	0.5
328.29358	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1084
Annotation	Androsin
Peak:m/z	Relative Intensity
53.59053	0.3
59.01371	1.2
69.57015	1.0
69.57430	1.7
71.01380	3.0
73.02951	0.9
75.00864	1.0
77.03969	1.0
79.52519	0.4
83.01405	0.5
85.02953	1.1
87.00871	5.4
89.02424	0.4
93.03452	1.8
95.01398	1.1
95.05028	0.8
101.02425	1.4
108.02156	2.1
109.02969	0.5
113.02432	0.7
119.05066	0.4
121.02945	9.5
122.03714	1.0
122.58537	0.4
123.04487	0.8
125.02433	0.4
135.04489	0.8
149.02434	78.5
150.03217	70.8
151.03539	2.0
152.01120	0.9
161.04517	0.7
163.03999	1.3
164.04785	26.6
165.05557	100.0
166.05888	3.3
171.18962	0.4
179.07039	0.4
207.06622	1.3
229.79411	0.4
327.07178	1.2
335.68988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.42354	0.8
57.03448	1.0
59.01385	7.3
62.91765	1.0
69.03461	4.5
71.01386	1.7
71.53154	0.8
73.02943	1.7
74.85088	0.7
81.03460	1.1
83.05044	0.8
85.02949	1.9
93.03465	1.0
108.05811	2.0
109.06644	1.1
111.08131	1.9
116.07182	13.4
117.07506	6.0
119.08662	8.5
124.98801	0.8
125.09727	5.7
127.11314	4.3
135.08185	3.0
137.09735	28.5
149.02501	1.6
150.03334	0.9
165.05615	1.8
166.06430	2.3
169.12250	0.9
171.10277	100.0
172.10649	4.0
181.08829	1.2
183.13797	0.7
185.11877	1.3
194.99319	1.4
197.11806	8.7
199.13376	0.8
201.11336	20.8
209.11838	0.8
211.13467	1.8
213.11378	3.1
229.14365	1.2
239.16617	1.6
245.22423	0.8
247.20903	1.0
291.19690	5.3
309.20755	9.6
327.08917	1.4
327.21820	82.1
328.22134	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	327.0513
Annotation	Khrinone D
Peak:m/z	Relative Intensity
59.01381	6.1
67.01864	1.3
69.34386	2.2
69.34789	6.8
71.01360	2.6
72.99299	1.2
73.26936	0.9
75.00873	12.1
79.01859	1.2
83.01380	2.2
85.02939	1.3
87.00852	2.1
89.02439	2.0
89.03944	2.2
92.63604	1.0
93.03440	5.1
95.01378	2.7
97.02934	2.7
101.02435	1.6
105.03484	6.1
108.02174	6.7
109.02937	11.3
113.02406	1.7
117.03470	2.1
119.05001	4.5
120.05315	1.5
121.02946	14.8
122.03732	2.3
123.00902	1.9
123.04514	5.8
123.94958	1.2
125.02400	3.7
129.01939	2.8
129.24480	1.0
132.02171	1.3
133.02971	11.1
134.03674	1.1
135.00847	4.4
135.04520	5.8
137.02458	18.0
139.03998	2.1
145.02892	2.5
147.02979	1.2
147.04509	2.7
148.01604	3.7
149.02438	63.3
150.03230	7.0
151.00365	3.8
151.04083	6.2
152.01112	3.1
156.77733	1.0
161.02441	47.1
162.02902	1.4
163.00371	25.2
163.04024	3.8
164.01173	4.9
164.04671	3.0
165.01883	100.0
165.04024	32.5
165.05527	15.8
166.02267	1.6
173.02478	2.1
175.03987	1.6
176.01149	22.6
177.01923	89.2
178.02225	2.7
179.03441	3.3
183.04408	1.2
189.01903	2.7
190.02684	12.4
193.06567	1.2
202.99863	13.8
203.03494	1.3
204.00644	5.5
205.01422	13.0
217.46999	1.1
218.02194	10.1
237.05602	1.9
239.07060	3.4
241.05078	1.7
246.04659	1.7
253.05026	1.4
256.28491	1.1
265.04932	3.6
273.74661	1.0
281.04517	2.4
283.06116	4.7
289.07007	3.7
299.05453	4.1
309.04019	12.1
327.04990	44.2
327.14487	1.6
328.05322	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	326.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01388	0.7
69.03444	0.6
69.21762	2.2
77.70361	0.2
86.51891	0.3
98.19964	0.6
111.08139	1.1
116.07175	100.0
117.07517	2.2
137.09729	0.5
165.12845	7.0
166.13266	0.3
169.12288	0.3
171.10269	1.8
193.98529	0.4
197.11832	1.1
201.11311	0.4
209.11794	0.5
211.13426	0.4
256.51498	0.3
290.18369	0.3
290.21579	0.3
308.18982	0.5
309.20825	0.4
311.09171	0.3
326.19720	24.0
327.22095	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	326.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42980	1.0
59.01372	3.0
62.08601	1.0
71.01381	6.7
72.00906	8.8
73.02942	10.8
74.02496	1.3
79.95802	1.1
80.02677	2.7
81.03455	1.8
83.05022	2.8
83.28442	1.0
98.20662	3.0
102.05580	1.6
122.81354	1.0
126.84525	1.2
134.79526	0.9
149.02272	1.1
160.31981	1.0
160.51282	1.1
163.41762	1.1
163.44997	1.1
194.99440	1.7
197.19067	1.8
221.19066	16.5
222.19351	2.0
223.20656	66.8
224.20973	4.3
225.22243	11.5
226.22670	1.2
235.20639	4.9
251.20242	2.6
253.21710	100.0
254.22049	8.0
264.23322	2.1
265.21661	1.9
282.24350	10.1
298.07986	2.5
302.55597	1.1
308.06464	1.9
309.20813	1.1
310.04837	1.2
326.07468	14.6
326.18527	1.6
326.23251	1.9
327.21780	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	325.2019
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03449	9.9
58.61553	2.1
59.01386	22.5
67.01872	3.6
69.03452	4.6
71.01382	5.3
71.05021	8.1
79.05514	4.2
81.03452	4.6
83.05027	15.9
84.02132	3.2
85.02947	8.2
85.06568	4.0
92.95674	2.0
93.02891	2.2
93.03442	2.8
95.05019	9.9
96.95998	2.8
97.06586	9.2
98.20746	4.1
101.02418	4.3
106.04232	2.6
109.06575	7.2
111.04537	13.4
115.47195	1.9
117.07074	1.8
119.05015	3.5
121.02947	2.2
123.04514	3.2
123.08150	3.4
124.05270	2.8
125.09753	3.9
127.07704	2.2
130.08734	59.9
131.09097	27.2
135.08162	14.1
135.09050	2.1
151.00301	2.8
151.11278	2.0
153.09203	12.2
155.10725	2.9
163.06049	3.7
171.10280	58.0
172.10677	2.1
177.12813	2.8
181.12354	2.4
185.11732	2.7
193.12392	4.5
195.13916	2.4
197.11919	2.3
197.44119	1.8
201.11241	2.0
207.10239	2.1
209.11832	9.3
211.13387	9.7
216.51308	2.0
219.13747	1.8
221.11841	6.0
227.12801	2.4
235.13394	2.7
237.14941	7.2
238.18451	2.1
244.23796	2.0
245.19020	3.6
249.14931	7.8
259.45749	2.3
267.15976	2.8
277.25937	2.1
289.18097	19.9
307.19040	12.0
325.07086	7.0
325.11194	6.4
325.19824	100.0
326.20523	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	325.217
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01384	1.3
69.54074	0.9
69.54480	2.4
71.01397	0.7
79.95744	0.9
101.02461	0.7
119.05006	0.8
133.06577	0.6
141.88716	0.5
149.09717	92.7
150.10057	4.2
151.00360	0.6
163.11284	100.0
163.28023	0.5
164.11623	3.9
168.37408	0.5
170.00395	0.7
183.01204	37.1
184.01917	3.1
197.02724	1.9
216.00920	1.8
325.07553	3.0
325.18314	68.8
325.21719	91.4
326.18631	7.4
326.22086	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	325.2017
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
56.75231	1.0
57.03424	4.6
58.00573	2.3
59.01352	5.2
69.03448	1.8
69.39751	2.2
69.40151	8.1
71.01350	1.2
72.02133	1.3
73.02930	2.1
78.31860	1.1
79.81804	1.0
80.02674	2.1
83.05000	2.3
85.02934	2.0
87.04496	2.5
89.02453	1.2
96.95963	2.1
97.06554	4.8
98.03736	2.0
101.02410	1.7
111.08161	28.8
112.08547	1.2
117.58307	1.1
123.08126	3.8
125.09726	30.3
127.11301	16.1
127.98306	1.1
130.08742	21.8
131.09082	8.5
135.08118	1.9
137.09738	10.1
139.11230	3.2
141.09198	2.2
151.00325	1.2
151.07631	1.1
151.11258	5.6
153.09242	6.1
155.10780	8.2
159.39185	1.0
160.72928	1.3
163.06059	1.4
164.08350	3.7
165.09135	3.6
167.10757	1.8
169.12241	1.9
171.10242	19.2
183.10178	2.4
190.40012	1.2
195.10175	5.6
199.09631	3.5
199.13365	1.4
201.11322	98.4
202.11562	4.2
211.13280	1.6
213.11314	69.1
214.11499	3.7
227.12656	1.4
245.18933	2.6
250.12122	1.2
263.13327	1.1
289.15170	1.7
289.18097	27.7
290.18390	1.8
307.19153	50.4
308.19290	4.6
325.07138	2.4
325.19995	100.0
326.20316	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	325.202
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.64846	3.3
59.01376	30.1
69.28388	28.7
71.01376	24.1
71.89674	3.6
72.99311	4.0
73.02927	5.0
81.03445	4.0
83.79325	3.9
84.02163	3.3
85.02946	5.0
89.02457	4.7
93.03473	6.7
97.06579	4.1
98.20716	7.3
101.02439	8.9
109.06624	6.1
111.08163	40.3
119.05025	4.5
123.08129	14.2
125.09705	13.0
127.11292	8.0
135.08113	12.7
151.11256	7.0
153.09207	11.8
155.10742	10.3
163.06050	5.6
167.10747	11.8
169.12315	5.7
171.10263	83.1
183.01245	16.3
183.10179	6.4
185.11824	47.5
195.10211	6.5
197.11844	36.5
201.11330	74.4
202.11604	4.2
209.11812	5.3
213.11255	24.7
215.12888	4.3
227.12857	14.1
245.19019	5.4
289.18085	14.0
307.06262	3.9
307.19070	13.7
325.07248	38.9
325.11182	8.2
325.14856	18.0
325.20239	100.0
326.07416	4.2
326.20602	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	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
69.38535	1.4
71.01377	2.8
73.02946	0.9
83.01366	0.3
85.02942	1.1
91.05539	1.4
99.00868	0.4
101.02464	1.7
101.03969	5.5
113.02458	1.2
117.03463	2.5
119.05028	100.0
120.05368	3.5
133.02960	0.4
135.04553	0.3
159.02971	0.4
161.02493	1.0
161.04564	2.0
163.03999	4.2
164.04407	0.3
170.84650	0.2
205.01489	0.4
205.53679	0.2
249.00449	0.4
273.39398	0.2
298.40567	0.2
325.09290	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.0
59.01373	29.0
69.47430	12.1
71.01383	15.6
73.15778	1.6
85.02950	2.7
89.02435	8.6
95.01328	1.7
98.19954	3.1
101.02470	8.7
113.02434	7.5
117.03441	18.7
119.05023	84.9
120.05328	3.6
121.02944	2.3
132.05786	3.2
133.02946	2.6
133.06596	12.6
145.02945	100.0
146.03328	3.0
161.02408	7.0
161.04803	2.6
161.06075	36.5
162.03146	1.7
162.06378	1.6
163.03998	85.3
164.04373	3.1
177.05563	12.0
187.03995	7.6
205.05045	57.9
206.05423	2.9
235.06088	36.6
265.07169	79.7
266.07462	4.2
281.49225	1.6
312.75513	1.6
325.09238	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	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91538	0.5
55.92746	0.4
57.58161	0.4
59.01116	0.5
59.01382	6.6
61.90721	0.4
70.03514	0.7
70.03928	1.3
71.01384	2.2
77.14455	0.4
82.02157	0.4
85.02946	0.9
89.02458	2.6
98.20705	0.4
101.02422	0.7
113.02484	0.5
117.03464	21.0
118.03796	0.9
119.03542	0.7
119.05024	6.7
133.06560	0.8
145.02951	100.0
146.03305	3.1
159.04495	0.6
161.06068	2.1
163.04021	10.4
167.43335	0.4
177.05566	0.9
181.38794	0.4
187.04016	3.6
188.04477	0.4
191.07115	0.5
205.05013	2.8
208.43462	0.4
235.06067	1.7
265.07230	2.1
325.09268	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	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83386	0.2
59.01375	0.7
59.52596	0.2
70.84743	0.6
71.01385	3.2
73.02937	0.6
83.01407	0.5
85.02954	1.1
91.05505	1.8
99.00865	0.4
101.02464	1.7
101.03963	5.0
113.02439	1.6
117.03469	3.0
119.05026	100.0
120.05367	4.0
133.02962	0.6
161.02477	0.5
161.04532	1.8
163.04018	4.6
205.01390	0.4
246.46376	0.2
253.04213	0.2
265.07050	0.3
295.71756	0.2
325.09219	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
52.77267	0.5
59.01379	6.0
61.23466	0.5
63.98863	0.6
64.85614	0.5
69.41605	4.0
71.01376	2.3
73.86890	0.6
89.02446	1.0
94.03689	0.8
99.67876	0.6
101.02451	0.8
113.02425	0.9
117.03476	15.2
119.05025	100.0
120.05376	4.1
145.02953	82.4
146.03302	2.4
161.06085	1.4
163.04007	79.0
164.04344	3.0
173.85890	0.6
187.03992	2.5
205.05011	1.6
265.07224	1.6
289.07086	2.7
325.09366	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	325.0715
Annotation	CCRIS 3210
Peak:m/z	Relative Intensity
59.01368	1.0
59.57826	0.3
65.03921	0.4
71.01379	0.5
76.53181	0.3
126.95647	0.4
127.86391	0.4
145.02971	0.4
172.05336	1.1
182.03560	0.5
183.01294	0.4
184.05275	2.2
185.09656	0.4
191.03378	0.5
195.04497	0.4
195.08183	0.7
197.09723	1.1
198.03081	0.5
199.07735	0.5
207.08144	0.6
208.05283	0.6
209.06036	0.9
210.06897	0.6
211.03906	0.9
212.04803	0.7
213.09225	1.6
214.02658	0.9
223.04018	0.7
223.07678	2.5
224.04808	0.5
225.05501	1.1
225.09203	3.0
226.02782	1.0
227.03334	0.5
233.06329	0.4
235.04005	0.7
235.07747	0.9
237.05620	1.0
238.06342	0.7
239.03575	1.1
240.04242	1.0
241.08575	2.4
242.02216	1.7
243.03128	0.6
250.02773	0.8
251.03418	0.7
251.07149	3.4
252.04196	0.6
252.07552	0.6
253.04997	0.4
253.08658	1.7
254.05827	0.4
256.03696	1.3
261.05545	1.1
263.03333	0.5
263.07193	0.7
264.04224	1.2
265.05023	1.5
266.05676	0.6
267.02939	5.4
267.06021	0.5
267.06500	0.4
268.03702	2.3
269.08182	4.0
270.01859	0.7
277.05029	1.1
278.02161	0.4
279.02975	2.2
279.06601	4.7
281.04559	4.7
281.08133	1.6
282.05338	4.8
289.05142	0.7
292.03784	1.4
293.04498	0.4
295.02863	0.7
295.05939	2.3
296.03247	5.1
296.06882	3.9
297.07639	12.6
298.08005	0.9
305.04431	0.4
306.05258	0.7
307.06094	7.3
308.06546	0.5
309.04028	5.5
310.04703	2.1
325.07150	100.0
326.07501	8.5
336.60150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0564
Annotation	Sinapoyltartronate
Peak:m/z	Relative Intensity
50.93603	0.6
55.01879	0.9
59.01373	12.5
67.01888	0.7
69.03456	2.3
70.98659	1.5
71.01383	3.0
72.99282	1.3
73.02949	7.1
76.09669	0.6
78.29286	0.6
79.01894	1.7
81.03454	1.9
82.65013	0.7
83.01410	0.6
83.05019	5.3
85.02953	3.4
86.23743	0.7
89.02430	1.5
93.03452	26.1
94.03799	0.7
95.01392	1.6
97.02937	2.2
99.00890	2.1
99.04524	2.2
101.02454	2.7
107.01385	8.0
109.02979	1.3
111.00876	1.9
111.04518	9.6
112.04906	0.7
119.05023	43.9
120.05367	1.2
123.00867	5.1
124.01675	2.9
125.02446	69.1
126.02798	1.9
127.00317	0.8
133.02968	1.3
137.02440	5.6
139.00342	3.5
140.01175	3.1
141.01959	0.7
143.03448	0.9
145.03001	1.3
151.00343	3.2
153.01950	1.1
155.03473	3.5
159.02943	1.1
161.04555	1.2
163.04005	26.4
163.06094	1.5
167.03510	1.1
168.00650	8.3
169.01418	87.3
170.01730	2.5
173.04553	5.6
265.12964	2.0
271.56808	0.6
281.06534	0.7
289.07263	1.6
325.05621	100.0
326.05902	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	324.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	1.2
59.01385	2.2
71.53162	0.4
73.28013	0.4
78.99723	0.4
89.02453	0.6
96.96036	0.5
107.78180	0.4
123.11908	0.4
128.10817	2.7
130.08739	100.0
131.09096	2.5
154.12361	0.4
194.15414	0.4
262.21658	0.8
280.22617	0.5
291.69308	0.4
324.21780	44.7
325.07465	2.2
325.11020	0.9
325.14536	0.8
325.22702	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	325.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
59.01377	5.1
65.78168	0.6
69.03450	1.5
70.90968	0.6
71.01376	2.1
71.50322	1.4
73.02950	1.6
73.69946	0.6
81.03456	2.6
83.05024	3.8
83.13525	0.6
85.02946	0.8
87.00905	0.7
93.03457	23.6
95.01434	0.8
97.02913	1.1
99.00874	1.0
100.86554	0.7
101.02405	0.8
107.01389	7.4
109.02958	1.1
111.00885	2.0
111.04522	10.1
113.46474	0.7
119.05022	21.6
120.99357	0.7
123.00890	2.1
123.21721	0.8
124.01668	2.4
125.02441	61.5
126.02776	1.1
136.98843	1.5
137.02454	5.4
139.00371	2.3
140.01158	3.1
141.40344	0.7
145.02925	1.3
155.03473	7.5
161.04492	0.7
163.02678	0.7
163.04008	11.3
168.00635	12.6
169.01414	100.0
170.01778	3.0
173.04509	2.3
201.09502	0.6
325.05603	30.3
325.09100	1.1
325.13867	2.3
326.05862	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	324.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
58.02980	0.6
59.01373	1.5
68.82108	0.3
69.28445	2.9
71.01408	0.3
71.05033	0.4
75.25549	0.3
83.05025	0.7
85.02930	0.4
95.05025	0.6
97.06628	0.5
98.19875	0.6
111.04532	0.5
123.08147	0.4
125.09747	0.3
128.10805	1.8
130.08737	100.0
131.09103	2.6
135.08116	0.6
144.63708	0.3
146.56276	0.3
153.09175	0.6
165.12865	0.3
171.10291	2.3
180.56653	0.3
209.11835	0.7
237.14911	0.7
289.18082	1.0
307.19217	0.7
324.21777	37.8
325.07071	0.6
325.20242	3.1
328.95056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
57.43752	0.3
58.02985	0.6
59.01384	0.9
71.05007	0.4
83.05029	0.5
91.76089	0.4
96.96009	0.5
97.06588	0.5
98.19834	0.7
111.08166	2.2
123.08165	0.6
125.09700	3.0
127.11283	1.3
128.10835	2.1
130.08736	100.0
131.09085	2.7
137.09724	1.1
141.09196	0.5
151.11269	0.7
155.10748	0.5
164.08440	0.4
165.09273	0.5
165.12840	0.8
171.10234	1.8
196.16855	0.3
199.09819	0.4
201.11320	8.1
212.62923	0.3
213.11305	5.2
229.50810	0.4
289.18033	2.4
307.19092	4.4
324.21774	45.5
325.06927	0.4
325.11066	0.4
325.19708	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.259
Annotation	2beta,8beta,15-Trihydroxy-ent-labd-13E-one
Peak:m/z	Relative Intensity
57.03457	14.5
59.01378	37.4
69.03460	2.4
70.83945	4.9
71.01384	24.2
71.05003	4.9
72.02164	16.0
73.02940	11.1
81.03464	2.2
83.05019	7.0
84.02158	1.9
84.65974	1.9
85.02950	8.2
87.00870	3.9
87.04513	100.0
89.02444	5.5
91.01882	2.6
93.03455	2.3
95.05022	11.3
96.96004	4.1
97.06586	8.2
99.04512	5.0
101.02441	4.9
108.85390	2.4
109.06565	9.7
113.02444	6.1
123.08194	2.9
127.07639	3.1
127.11282	4.0
139.07663	15.9
141.12888	11.0
153.09218	11.7
153.12817	3.5
155.14394	3.2
161.04570	3.4
163.00322	2.3
167.14378	3.5
176.53929	2.2
181.15979	3.3
195.17456	2.9
205.19615	2.5
223.20631	3.7
249.22218	31.0
259.20624	2.8
261.00494	2.4
261.22220	18.0
263.23828	8.0
269.22723	3.9
275.23825	5.2
277.21661	4.3
279.23334	38.7
280.23608	2.8
285.22202	3.4
287.23706	19.5
293.24866	38.0
294.25339	3.2
305.21136	9.6
305.24738	46.2
306.25082	5.1
307.02420	7.0
323.05582	18.9
323.18729	2.8
323.22531	3.7
323.25882	73.3
324.06052	3.7
324.26306	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	323.2226
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
52.92896	0.4
59.01378	7.1
65.17365	0.4
71.01340	1.7
83.01383	0.5
84.69521	0.4
85.02922	0.6
89.02438	0.6
98.20658	1.4
100.90733	0.4
101.02388	1.0
109.02869	0.5
113.02401	1.0
123.04475	1.2
137.06038	1.0
137.09616	0.8
156.04216	0.6
161.04504	0.7
162.10448	0.6
163.00362	0.6
163.11147	0.5
165.09158	1.4
165.12767	1.9
167.14328	0.5
179.10687	0.5
179.14320	0.6
189.12801	0.8
190.99837	0.6
193.12227	0.6
217.15858	0.6
261.22171	4.9
262.22491	0.4
279.23160	0.8
287.19974	0.6
305.21204	100.0
306.21555	6.4
307.02475	0.6
323.05740	1.2
323.22269	20.1
324.22568	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	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.97808	1.6
55.01870	2.2
56.93602	1.6
57.03448	8.6
59.01381	18.5
69.03453	1.8
69.36923	12.4
70.81174	1.5
71.01392	4.4
71.05015	10.9
72.42569	1.6
73.02921	2.2
80.02671	2.1
81.03444	7.9
83.01389	18.5
83.05015	6.4
84.19785	1.4
85.02955	3.1
87.73433	1.5
89.38262	1.6
93.03432	3.7
95.05019	25.2
97.02917	4.7
97.06587	18.8
98.20624	2.3
106.04268	1.5
107.05054	2.1
109.06569	6.3
111.04488	1.6
113.02497	2.0
119.05050	2.0
121.02943	3.0
121.06541	2.7
122.03764	2.0
123.04517	8.5
123.08150	10.1
125.06062	3.1
125.09708	27.6
135.08162	19.0
136.05251	1.7
137.06035	1.9
149.09671	3.0
151.11264	2.0
153.09218	3.9
163.11285	9.4
163.87505	1.6
165.12778	3.7
167.10785	4.3
171.10263	1.9
175.07660	1.8
181.12350	2.8
185.11821	23.2
189.12816	4.6
191.10754	7.7
197.11887	2.3
203.10625	1.9
203.14397	7.7
207.10231	3.0
209.11806	100.0
209.30225	1.6
210.12166	5.8
211.13361	3.8
221.15477	2.9
223.13326	2.3
235.13304	2.0
237.14894	5.9
243.17513	5.8
247.13454	8.3
249.14795	4.3
261.18591	2.2
265.14444	24.0
266.14774	2.1
287.16611	8.2
305.17523	15.5
323.15335	1.8
323.18588	44.6
323.22296	1.8
324.18817	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16271	0.8
56.14666	1.0
59.01379	100.0
59.84689	0.9
60.01738	1.1
71.01392	5.6
71.53223	0.9
73.02934	1.4
73.35843	0.8
75.00839	1.0
79.95737	6.0
80.96514	2.3
82.76576	0.8
83.01309	1.1
85.02950	1.9
87.00933	0.8
101.02441	3.3
113.02443	2.0
125.02466	1.5
133.02982	5.7
135.02994	1.7
135.04506	6.1
161.02458	14.4
161.04480	2.0
169.01392	1.1
179.03477	3.6
183.13907	2.1
190.46930	0.8
263.15070	2.1
299.04343	1.1
306.03510	1.0
323.07751	8.8
323.18570	1.2
324.07977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44231	1.0
55.01867	1.7
57.03446	1.9
58.00584	3.1
59.01381	100.0
69.00990	0.8
69.40946	7.1
70.32331	0.8
71.01382	48.3
72.99312	2.9
73.02962	1.4
83.01386	2.7
85.02948	10.5
87.00887	2.6
87.85442	0.9
89.02444	59.5
95.01387	4.5
98.20667	2.2
101.02441	31.0
113.02448	18.3
113.03174	1.8
119.03503	24.3
131.03467	1.9
141.00328	0.9
143.03484	1.9
161.02429	2.2
179.05588	1.9
305.02875	2.3
323.13452	92.3
324.01657	1.0
324.13660	5.1
337.90652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22900	1.8
58.00583	3.1
59.01379	100.0
69.28988	8.5
69.29398	4.3
71.01009	2.7
71.01381	47.3
72.99310	4.2
73.02952	1.9
83.01403	2.2
85.02950	9.8
87.00864	3.0
89.02438	59.7
95.01395	3.6
101.02436	32.1
113.02450	19.0
119.03511	26.0
131.03517	2.2
139.43973	1.6
141.99631	1.6
161.04524	2.0
161.80014	1.5
174.11749	1.3
179.05611	3.8
186.06508	1.7
194.45770	1.5
230.69301	1.5
284.71252	1.6
323.13443	87.1
324.13766	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0558
Annotation	Pre-bikaverin
Peak:m/z	Relative Intensity
54.53500	0.3
57.50827	0.2
59.01360	1.1
69.25536	2.0
71.01340	0.4
84.04727	0.2
85.38409	0.2
87.10314	0.2
101.02435	0.3
136.09610	0.2
180.05803	1.1
191.04980	0.7
207.04547	0.8
208.05209	1.2
234.03226	1.0
235.04042	1.1
263.03363	1.2
264.04248	1.5
282.01645	0.4
306.01648	0.4
307.02466	50.7
308.03159	11.9
308.06873	0.4
309.03607	0.6
323.05582	100.0
324.05927	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	323.077
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.65790	0.4
55.01876	0.5
57.03448	0.7
58.29150	0.4
58.84288	0.4
59.01374	5.1
59.08660	0.4
69.03490	0.4
69.28790	1.5
69.29215	2.2
71.01382	9.6
73.02954	1.7
77.03983	0.4
79.90257	0.4
83.01378	1.3
85.02950	3.1
87.00875	0.7
89.02438	0.9
91.01870	0.6
95.01376	0.8
97.02934	0.8
98.20641	0.9
99.00860	0.9
101.02425	3.0
105.03465	0.8
109.02950	0.8
111.00837	0.7
113.02438	2.5
117.03472	1.0
121.02961	0.8
123.00873	0.5
132.02180	1.9
133.02957	34.5
134.03786	2.3
135.04521	34.9
136.04865	1.0
137.02379	0.9
147.04523	0.8
148.05286	0.5
149.06062	1.8
149.40880	0.4
161.02435	100.0
162.02745	3.5
163.03992	0.5
169.01450	0.4
175.04005	1.7
177.01880	0.8
177.05562	5.9
178.02756	0.6
179.03490	26.5
180.03865	0.8
203.03467	3.3
205.05057	0.5
210.09474	0.4
220.03725	0.6
221.02385	0.6
221.04535	11.9
221.06621	0.9
233.04459	0.7
245.04489	0.5
251.05466	1.0
263.05585	3.0
280.05783	2.3
323.07693	53.8
324.08038	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	322.2022
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02975	1.9
59.73314	0.2
66.95008	0.2
68.02829	0.2
69.64285	0.7
69.64701	0.5
77.23754	0.2
81.03464	0.5
83.05058	0.3
95.05052	0.8
97.06579	0.3
105.31862	0.2
109.06620	0.6
128.10812	7.4
130.08736	100.0
131.09082	2.6
165.12817	0.7
172.09821	0.7
278.21234	0.3
299.83594	0.2
322.20206	35.6
323.20551	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.7
59.01380	47.7
60.89655	0.7
71.01379	20.9
71.52571	1.1
72.99307	1.5
73.02934	0.9
83.01400	1.7
85.02944	4.4
87.00866	1.4
89.02442	16.8
95.01355	1.7
99.00874	0.8
101.02446	15.2
112.95784	0.8
113.02448	6.6
113.09729	25.4
119.03479	5.5
125.02439	2.1
129.09286	0.7
140.01134	1.4
141.09210	5.7
143.10785	1.7
151.00423	1.1
155.10756	3.1
159.10260	62.8
160.10550	1.7
164.53133	0.9
168.00667	0.7
169.01375	1.8
199.37541	0.7
201.11324	1.9
209.85190	0.8
227.03471	1.6
228.03896	1.0
229.04352	0.6
254.33386	0.9
255.03127	1.7
256.03439	1.2
284.03296	1.2
285.03979	6.0
286.04413	5.2
321.02600	1.7
321.15533	100.0
322.15863	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	321.0251
Annotation	Digallate
Peak:m/z	Relative Intensity
59.01369	3.5
69.67927	4.1
71.01395	1.0
76.65555	0.8
93.03467	1.2
94.93852	0.9
101.02458	1.4
109.02986	1.0
113.02476	1.1
117.03451	1.8
119.05033	1.1
120.99657	0.9
122.03704	2.0
123.00878	2.5
125.06165	0.8
133.02945	2.9
134.03745	1.1
138.03204	1.6
141.09227	2.5
143.07123	4.7
145.02946	8.8
146.03728	1.5
149.02419	1.3
150.03226	7.7
153.89896	0.8
160.01688	1.9
161.02451	14.9
162.03160	2.4
163.00272	1.0
163.04031	1.8
164.01144	1.5
165.05594	1.3
166.02719	1.0
166.79654	0.9
166.99936	1.0
173.02425	3.7
174.03186	5.1
176.01141	2.2
177.01926	15.0
177.05589	1.3
179.03462	1.4
185.08211	1.2
185.75513	0.9
189.01945	12.4
190.02696	11.0
191.03294	1.4
193.01434	2.6
193.04982	1.3
203.03506	5.3
203.09276	3.8
205.01430	3.8
205.04968	2.4
206.02187	1.7
208.00212	1.6
209.84563	0.9
217.01433	13.2
218.02083	1.6
219.02989	1.2
221.04576	2.2
231.02951	1.7
232.03615	1.1
233.00774	2.3
233.04544	72.2
234.01685	2.3
234.04874	2.8
245.00912	9.2
247.02348	1.4
249.04025	30.7
250.04364	1.7
259.99710	0.9
261.00339	9.7
262.01111	2.7
277.03552	25.9
278.03836	2.0
293.02835	1.0
321.02505	100.0
322.02878	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	321.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48039	0.7
57.03446	0.8
59.01378	75.8
67.01862	0.7
68.99817	2.1
69.03457	0.8
71.01380	12.7
71.52613	1.0
72.99300	0.7
73.02936	3.9
79.95741	2.0
81.03472	1.0
83.01383	1.3
83.04984	0.7
85.02962	5.3
87.00866	1.1
89.02454	6.0
95.01370	1.6
96.54922	0.7
96.96011	54.4
97.02916	0.8
97.06594	1.4
99.00880	1.5
101.02442	7.7
101.80109	0.7
107.05030	0.8
109.02956	1.1
111.00912	0.8
113.02443	4.1
119.03503	1.8
119.05025	22.1
120.05357	1.0
120.99658	0.7
121.02888	0.7
121.06596	1.8
123.08125	1.2
125.02446	5.9
136.01582	0.8
137.09708	1.4
141.01939	0.8
141.09270	0.9
143.03575	0.8
143.07126	1.7
145.02942	1.3
145.06595	2.8
147.04530	1.5
149.09673	0.7
150.03189	0.7
151.07657	3.3
153.01976	0.7
159.02899	0.9
159.10251	1.0
161.02412	2.8
161.04510	4.1
163.03993	3.5
163.07652	4.5
169.01398	6.6
175.02490	1.7
177.01894	1.4
177.04071	0.8
179.10742	2.0
185.31477	0.7
187.04001	0.8
189.01941	1.6
189.05548	1.1
190.02740	1.2
193.01379	1.0
197.11897	1.1
203.09225	1.4
205.01396	1.0
217.01424	1.7
223.09848	0.8
226.91516	0.7
233.04544	5.6
241.10808	41.9
242.11101	2.1
249.04015	3.6
255.57297	0.7
277.03528	2.5
321.02591	8.6
321.06436	100.0
321.15430	3.7
322.03470	0.7
322.06821	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	319.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02715	0.9
58.02978	9.6
59.01378	1.3
63.26803	0.9
65.61005	0.8
71.53075	0.8
72.00894	5.1
74.17439	0.8
74.83015	1.0
82.06611	2.2
91.05530	12.7
93.03436	1.0
94.12040	0.9
112.07661	2.7
118.06614	3.4
126.09217	1.7
128.20659	1.0
129.10339	76.4
147.04514	25.6
148.04781	1.0
153.10313	4.5
154.08752	13.4
157.51161	1.0
163.22502	0.9
164.07159	63.4
165.07533	2.1
171.11385	55.3
172.11563	1.0
201.11201	1.2
209.93820	0.9
216.13887	1.6
233.16574	37.0
234.16898	1.5
246.98816	1.4
275.17648	5.2
277.15536	2.7
308.77820	1.1
319.16586	100.0
320.16998	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	319.1394
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
57.03433	1.1
58.00571	1.2
59.01378	34.6
69.31799	2.6
69.32224	3.0
71.01008	1.4
71.01382	19.5
72.99300	1.7
73.02937	2.1
77.97076	0.6
77.98398	0.7
83.01383	1.8
84.02157	1.2
85.02959	5.4
87.00867	1.1
89.02445	14.9
95.01401	1.1
98.19882	0.9
99.00871	1.1
101.02441	13.5
111.08153	20.8
113.02439	7.7
119.03499	5.2
139.07623	4.4
147.00780	0.9
148.83488	0.7
153.09158	1.5
157.08693	65.2
158.09027	3.1
173.88223	0.7
199.09711	2.2
202.99937	1.1
228.97916	1.2
230.99300	1.3
231.02934	0.8
246.98767	1.6
266.15128	0.9
274.98138	0.9
300.96176	1.8
318.97272	1.1
319.13956	100.0
320.14246	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	319.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71230	0.6
55.01865	2.2
59.01368	1.7
61.17477	0.8
71.05022	9.2
71.52934	1.4
79.18813	0.6
83.01404	0.8
93.03423	1.2
95.05022	19.6
97.02946	27.4
109.02950	17.1
110.03419	0.7
115.04024	4.0
119.05023	1.1
137.02432	2.8
139.04007	60.9
140.04289	1.5
141.01689	0.8
153.00723	1.4
153.01939	26.0
154.55850	0.7
165.01935	10.5
183.02974	100.0
184.03383	4.0
187.02444	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	317.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01376	2.0
59.88463	0.3
69.18687	3.2
70.62379	0.4
71.01373	0.6
75.00879	1.1
77.40318	0.3
98.19926	0.6
99.00898	0.3
114.91150	0.3
135.02988	2.8
137.02403	0.4
137.09721	8.1
138.10068	0.3
155.10774	100.0
156.11089	3.0
181.08693	1.4
199.09744	67.0
200.10115	2.5
316.99240	1.4
317.03021	0.7
317.06644	0.9
317.12402	17.0
317.16116	0.9
317.19748	1.1
318.12787	0.8
319.86279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.9936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10995	0.3
59.89954	0.3
62.92040	0.3
71.52600	0.6
98.34798	0.3
99.92558	0.3
108.37323	0.3
115.92065	0.7
116.92850	1.0
117.03440	1.0
125.02476	0.4
131.01396	0.5
133.02937	2.0
135.04408	0.4
145.02946	2.0
147.00764	0.4
149.02403	0.6
155.10800	0.9
159.00887	0.5
160.01642	0.4
161.02429	4.5
163.04042	0.8
169.01495	0.4
171.00877	1.2
173.02466	1.5
177.01898	1.0
187.00366	1.3
189.01961	5.8
199.00328	1.0
199.09781	0.7
200.01172	0.5
201.01866	0.9
204.00681	0.5
205.01410	1.3
214.99855	1.9
216.00491	0.5
217.01469	2.2
226.99840	0.5
229.01192	0.4
233.00829	0.7
242.99353	3.5
245.00897	2.6
259.99585	0.5
261.00299	0.7
270.98865	3.3
273.00580	0.4
273.04001	0.8
288.99301	0.5
298.98346	1.8
299.99194	2.2
315.98621	3.0
316.99362	100.0
317.19373	2.1
317.99734	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	316.9936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10995	0.3
59.89954	0.3
62.92040	0.3
71.52600	0.6
98.34798	0.3
99.92558	0.3
108.37323	0.3
115.92065	0.7
116.92850	1.0
117.03440	1.0
125.02476	0.4
131.01396	0.5
133.02937	2.0
135.04408	0.4
145.02946	2.0
147.00764	0.4
149.02403	0.6
155.10800	0.9
159.00887	0.5
160.01642	0.4
161.02429	4.5
163.04042	0.8
169.01495	0.4
171.00877	1.2
173.02466	1.5
177.01898	1.0
187.00366	1.3
189.01961	5.8
199.00328	1.0
199.09781	0.7
200.01172	0.5
201.01866	0.9
204.00681	0.5
205.01410	1.3
214.99855	1.9
216.00491	0.5
217.01469	2.2
226.99840	0.5
229.01192	0.4
233.00829	0.7
242.99353	3.5
245.00897	2.6
259.99585	0.5
261.00299	0.7
270.98865	3.3
273.00580	0.4
273.04001	0.8
288.99301	0.5
298.98346	1.8
299.99194	2.2
315.98621	3.0
316.99362	100.0
317.19373	2.1
317.99734	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	315.2538
Annotation	(9S,10S)-9,10-Dihydroxyoctadecanoate
Peak:m/z	Relative Intensity
55.01574	0.4
58.00577	0.8
59.01358	0.3
66.72775	0.3
69.34084	2.4
69.34486	0.9
72.42313	0.3
81.90485	0.3
122.12974	0.3
125.09726	0.9
127.11296	3.8
137.09616	0.4
139.11238	0.6
141.12845	4.8
142.13271	0.3
143.10753	1.3
147.00784	0.4
155.10741	1.1
157.12328	0.7
169.12289	0.5
171.10321	2.4
171.13890	1.5
172.39464	0.4
180.95357	0.4
197.18909	0.4
199.03955	0.4
201.11240	1.3
202.99678	0.4
205.41501	0.4
214.99850	0.4
230.99300	1.3
239.23871	0.4
279.23245	1.6
286.98331	1.3
295.22818	0.4
297.24313	9.3
298.24564	0.6
313.23837	4.7
314.97757	3.7
315.25366	100.0
315.98364	0.4
316.25677	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29190	0.5
59.01371	1.4
62.40960	0.5
83.05022	0.8
90.61890	0.6
98.19863	1.5
103.01871	0.6
123.04543	0.7
123.40495	0.6
125.09754	0.9
127.11272	2.4
131.01385	0.8
139.00427	0.6
141.12857	4.8
143.10759	1.3
153.01924	0.8
155.10805	1.3
159.00894	1.1
160.33038	0.7
171.10295	3.4
171.13831	1.1
175.00273	0.8
187.00420	0.8
201.11273	1.3
214.99849	2.2
230.99374	2.8
242.99423	1.2
243.02605	0.6
258.98880	0.8
279.23273	2.2
286.98267	4.5
295.22601	1.0
297.24329	7.6
311.22064	0.8
313.23828	8.8
314.97830	9.8
315.01437	0.9
315.25372	100.0
316.25641	6.5
331.66959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06906	1.1
55.01880	8.1
57.03453	6.0
58.00583	2.6
59.01380	42.7
67.92620	1.0
70.26585	1.1
71.01378	100.0
72.99303	2.1
73.02945	30.0
74.18791	1.1
75.00862	1.5
83.01379	13.3
85.02948	41.3
87.00861	3.6
89.02447	23.8
93.51355	1.1
95.01389	7.8
97.02948	1.9
99.00874	13.0
101.02441	61.1
107.44390	1.0
111.00894	1.7
113.02443	41.5
119.03480	7.3
125.02425	2.8
129.01982	1.5
129.42856	1.1
131.01346	1.4
131.03427	1.1
143.03516	4.1
147.00841	1.5
159.00861	3.9
159.02971	8.1
161.04558	24.4
170.20030	1.1
175.00372	2.7
187.00325	3.3
202.99850	3.7
214.99846	5.2
230.99364	8.1
242.99236	1.7
258.98685	1.3
271.02554	2.8
286.98300	10.0
300.02747	1.9
314.97757	28.3
315.01169	2.1
315.18109	7.6
315.98096	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	315.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13288	1.3
55.01883	8.4
57.03433	6.4
58.00579	2.4
59.01377	44.8
69.30534	12.7
71.01379	100.0
72.56803	1.4
73.02946	27.2
73.08231	1.2
75.00869	2.5
76.32672	1.4
83.01387	11.6
85.02951	52.6
87.00872	2.6
89.02445	14.7
92.28178	1.3
95.01397	7.4
97.02951	1.9
99.00880	17.9
100.86753	1.6
101.02441	52.4
113.02444	39.7
113.27515	1.4
119.03490	3.1
125.02444	1.4
129.01949	2.3
143.03494	3.3
151.00366	1.9
159.02954	5.5
161.04552	24.6
184.67024	1.3
214.99855	2.0
230.99341	3.4
271.02325	1.6
286.98349	2.5
300.02826	3.2
300.23474	1.4
314.97791	5.8
315.04953	4.4
315.18182	1.7
331.06445	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	315.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17805	0.9
55.01873	7.4
57.03448	5.6
58.00592	1.8
59.01376	53.9
60.35451	0.8
63.82831	0.9
69.67804	4.4
71.01379	100.0
72.01726	2.1
72.99287	2.4
73.02943	25.3
75.00861	1.8
82.49088	0.8
83.01376	10.4
84.02131	1.0
85.02946	47.1
87.00875	3.2
89.02441	23.0
95.01392	9.3
97.02944	1.9
99.00873	12.6
99.24967	0.8
101.02439	48.7
102.02768	0.9
107.57176	1.0
110.34354	0.9
113.02448	35.2
114.02792	1.0
119.03499	7.4
125.02391	1.5
129.01953	1.0
131.01372	0.9
133.02023	0.9
143.03490	2.3
159.03033	4.9
161.04535	21.2
187.00298	1.1
190.83673	1.0
205.03479	0.9
214.99786	1.8
230.99304	2.8
271.02451	1.4
286.98242	1.3
300.02792	2.0
314.97653	6.2
315.05106	1.9
315.18124	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
52.51057	1.3
55.07270	1.2
58.88213	1.5
59.01372	8.8
63.17184	1.5
71.01385	6.4
71.50371	1.7
75.00869	6.5
83.01386	1.5
85.02925	3.0
87.00884	1.8
89.02445	2.9
93.03456	2.0
95.01402	2.8
95.98209	1.7
97.02927	2.8
99.00887	2.6
108.02179	73.9
109.02957	81.6
110.03310	1.9
111.00866	1.7
113.02437	1.9
123.00923	3.5
123.04535	3.6
125.02447	4.9
135.02982	31.0
135.04514	27.9
137.02451	2.4
141.01982	1.6
151.03975	2.6
152.01152	56.5
153.01947	82.0
154.02235	2.0
155.03419	2.4
165.01903	2.2
169.01393	4.7
179.03473	3.1
191.05591	3.3
195.02974	6.1
217.87206	1.4
250.91054	1.4
255.05211	1.6
289.44482	1.4
297.06091	2.5
315.07196	100.0
316.07495	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.46081	0.7
57.57570	0.7
59.01379	17.3
68.32346	0.6
69.84996	1.6
69.85394	2.2
71.01379	8.1
72.99329	0.8
75.00877	1.6
81.03458	0.9
81.23650	0.6
83.01383	0.8
85.02972	2.0
86.87949	0.7
87.00936	0.7
89.02441	7.3
91.01910	1.5
93.03455	0.7
95.01406	1.1
97.03000	0.8
98.19848	0.7
101.02461	3.5
107.01384	1.3
107.63112	0.7
108.02190	7.3
109.02953	77.7
110.03285	1.0
113.02440	3.8
119.03463	2.0
121.32251	0.7
123.00896	2.3
125.02454	1.0
135.00873	1.0
135.02986	5.2
135.04497	4.1
137.02448	1.8
149.02414	0.9
151.04024	1.0
152.01155	16.6
153.01944	100.0
154.02209	1.9
167.03473	0.9
169.01401	1.4
170.34521	0.6
194.20564	0.8
195.02986	13.3
212.49693	0.7
225.04005	1.3
255.05080	6.9
255.20161	0.7
255.49907	0.8
297.06058	1.0
315.07217	76.4
316.03870	1.2
316.07565	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	315.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21084	0.4
60.79180	0.4
65.00360	0.5
71.01405	0.8
71.53931	0.6
101.02408	0.5
107.01402	0.8
108.02174	2.7
113.02540	0.5
122.57401	0.4
131.01457	0.7
135.00905	1.1
135.38518	0.4
137.02475	1.0
147.00862	0.7
148.01674	2.3
149.99603	0.4
151.00368	1.6
152.00096	0.5
153.01958	0.6
159.00917	1.2
163.00420	0.9
164.01173	1.1
175.00406	0.6
187.00194	0.7
187.04031	0.5
199.03928	0.8
202.99815	0.6
203.03482	0.5
211.03745	0.5
214.99898	1.3
215.03412	0.6
226.02713	1.2
227.03445	2.9
230.99339	3.4
242.99294	0.8
243.02965	12.4
244.03369	0.9
254.02191	1.8
255.02977	26.6
256.03268	1.1
271.02469	62.0
272.02979	3.9
286.98373	3.6
299.02005	1.0
300.02731	100.0
301.03076	5.6
314.97821	10.4
315.05075	50.3
316.05405	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	315.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.9
71.01369	2.8
71.27176	1.3
75.00833	0.6
81.03432	0.6
83.01437	0.7
85.02952	2.1
93.03456	0.7
95.01405	1.3
99.00827	0.6
101.02428	1.0
105.22813	0.6
108.02172	100.0
109.02958	37.0
110.03294	0.7
113.02454	1.0
121.02964	1.1
123.00884	1.1
123.04524	1.3
125.02412	1.3
135.02995	2.1
135.04506	2.3
151.04039	1.8
152.01144	63.9
153.01932	40.6
154.02316	0.8
163.04021	1.0
165.01894	1.7
169.01431	0.6
191.05571	1.1
195.02971	1.6
255.05070	0.6
297.06281	0.9
315.07196	77.9
316.03424	1.2
316.07498	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	315.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72676	0.4
59.01376	0.8
59.14214	0.4
63.18389	0.3
69.39262	2.9
71.01379	1.5
71.01734	0.3
71.03790	0.4
73.57191	0.3
79.70594	0.3
83.01376	0.5
83.87934	0.3
85.02958	0.4
96.95972	0.4
101.02443	0.8
107.01395	1.2
108.02167	2.1
120.02235	0.4
123.00939	0.4
131.01390	0.6
135.00874	0.9
137.02405	0.4
147.00923	0.6
148.01657	2.5
151.00348	1.1
152.01129	0.5
158.07956	0.3
159.00903	1.0
163.00330	0.9
164.01140	1.3
172.70695	0.3
175.00395	0.6
183.04425	0.4
187.00278	0.7
192.00652	0.6
199.03984	1.4
210.10521	0.3
211.03999	0.8
214.99843	1.4
215.03470	0.6
216.04193	0.7
226.02763	1.2
227.03468	3.0
229.01367	0.4
230.99313	2.3
242.99257	0.8
243.02965	11.8
244.03465	1.1
254.02155	1.7
255.02980	25.6
256.03381	1.2
258.98645	0.5
271.02457	61.0
272.02948	4.2
286.60693	0.4
286.98318	3.3
299.02115	1.6
300.02725	100.0
301.03107	5.8
308.43954	0.4
314.97809	7.7
315.05084	44.5
315.97968	0.4
316.05457	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	315.051
Annotation	SYDOWININ B
Peak:m/z	Relative Intensity
57.03446	0.4
59.01374	2.5
59.22739	0.3
64.19106	0.3
69.41179	1.7
69.41599	0.8
71.01378	5.3
72.99277	0.5
73.02938	1.5
83.01360	0.9
85.02951	2.0
89.02423	1.2
95.01382	0.8
95.56907	0.3
99.00874	0.4
101.02438	3.1
105.01933	6.5
112.57822	0.3
113.02457	2.2
117.03464	0.6
127.05531	0.6
131.05034	0.5
133.02956	0.6
135.43779	0.4
136.66695	0.3
139.05527	1.2
141.03450	0.6
143.05054	1.5
145.02922	0.5
147.00874	0.5
149.02434	0.3
154.04245	0.5
155.05005	2.7
157.02922	2.7
159.00832	0.5
159.03262	0.4
159.04491	2.6
161.04570	0.8
165.12801	1.4
165.42377	0.3
167.05028	1.7
169.02939	1.3
171.04500	3.9
182.02295	0.4
182.03658	2.2
183.04504	13.4
183.13892	6.6
184.04828	0.7
184.14238	0.4
185.02420	2.7
187.00407	0.4
187.03998	3.9
195.04472	0.9
198.03207	1.0
199.03989	5.0
201.05574	0.4
209.02402	0.4
210.03162	1.2
211.03986	12.9
212.04341	0.7
213.01996	1.7
214.99904	0.7
215.03465	1.7
226.02635	1.1
227.03479	46.6
227.12840	3.4
228.03877	2.7
230.99272	1.2
237.01817	1.7
238.02631	0.9
239.03441	3.9
241.01515	0.5
255.02972	52.9
256.03418	3.0
265.01352	0.7
266.02200	1.7
283.02451	100.0
284.02771	6.0
286.98419	0.9
314.97723	2.9
315.05081	16.7
315.14487	1.1
316.05377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06771	0.5
59.01332	0.6
66.38448	0.7
67.01846	1.1
67.47786	0.6
69.18691	0.5
71.52953	1.1
73.54430	0.6
77.03933	0.9
79.01852	1.2
88.69040	0.7
91.16049	0.6
93.03459	47.5
94.03745	1.4
95.01354	1.0
95.05000	0.9
103.00140	0.6
105.03445	4.4
109.02905	1.8
109.57485	0.6
113.14578	0.6
117.03460	3.4
119.05041	2.8
121.02959	35.3
122.03276	0.8
125.02399	2.0
131.01334	1.4
133.02959	34.2
134.03517	1.2
143.04964	0.9
147.00854	1.5
149.02411	0.7
149.06056	1.4
153.01913	1.3
153.64952	0.6
156.05766	1.9
157.05406	0.8
157.06586	11.1
159.00864	2.0
165.01874	1.1
169.06567	1.5
171.08176	3.4
175.00305	0.9
187.00296	1.8
199.07651	3.3
202.99840	2.0
214.99911	3.5
215.46487	0.6
227.07138	21.4
228.07494	1.0
230.99355	8.0
242.99234	1.4
258.98776	0.8
271.06104	100.0
272.06451	5.6
286.98334	9.1
314.97830	20.2
315.00974	0.4
315.04947	12.5
315.18237	1.2
315.98215	1.2
316.05328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
57.03450	0.8
58.00584	2.1
59.01373	1.1
63.71172	0.5
69.40386	2.5
69.40791	1.3
71.01347	0.9
73.02941	1.1
89.03906	0.5
95.01394	0.5
95.85036	0.5
97.06612	0.7
98.12171	0.5
113.02426	0.5
121.02962	1.1
123.08095	0.6
125.09727	5.6
127.11285	9.1
137.09702	2.0
139.11295	1.3
155.10791	3.5
157.12355	0.9
165.09216	3.2
171.10257	7.4
183.10187	1.1
199.09796	3.1
201.11308	50.2
202.11656	1.3
277.21753	6.2
295.22791	5.1
305.70950	0.5
313.23840	100.0
314.24167	6.6
323.85617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03436	1.2
58.82576	0.5
59.01376	1.0
69.81120	2.9
71.01382	0.8
71.04985	0.6
76.25696	0.4
91.80612	0.5
101.02430	0.7
113.02386	0.5
121.02946	1.1
125.09747	3.4
134.06142	0.5
137.61887	0.5
139.78845	0.5
141.12801	1.7
229.05046	0.5
239.23714	0.5
267.23300	4.4
268.23468	0.7
269.24835	0.9
272.01688	0.6
285.99963	0.5
295.22833	1.0
311.22330	0.7
313.23822	100.0
314.24173	7.1
327.09735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06998	2.9
57.03446	5.0
64.93835	3.1
66.49515	3.0
69.03461	23.5
69.68748	21.3
98.19904	5.9
101.02438	3.4
113.02448	4.5
125.92101	3.0
139.11287	20.4
164.09914	3.7
183.10248	100.0
184.10480	3.2
313.05521	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	313.0929
Annotation	Pungenin
Peak:m/z	Relative Intensity
52.63483	0.6
59.01109	0.7
59.01382	8.2
59.22340	0.5
71.01380	7.4
71.42934	0.9
73.02930	1.7
75.00879	4.6
77.03935	0.8
83.01377	1.2
85.02943	3.0
87.00871	1.8
89.02444	2.9
93.03457	38.6
94.03786	0.8
95.05042	1.3
101.02460	4.1
107.05032	5.6
112.33050	0.6
113.02456	1.8
119.03574	0.9
119.04990	1.5
121.02967	5.5
123.04520	7.5
125.02368	0.7
126.64086	0.7
129.01912	1.0
133.02943	3.1
135.04535	7.2
137.02422	1.2
147.04425	0.8
149.02428	11.3
150.03226	1.8
151.04005	52.4
152.04335	1.5
161.04578	0.9
163.04030	0.9
186.01997	0.5
193.05025	0.9
313.09274	100.0
314.09653	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0715
Annotation	Sylpin
Peak:m/z	Relative Intensity
56.56353	0.2
69.18384	2.4
69.18671	0.2
89.02470	0.2
93.03460	0.5
121.02951	100.0
122.03297	2.9
137.50699	0.2
180.05814	0.9
181.06573	4.6
199.57585	0.2
200.87773	0.2
225.05553	6.3
226.06068	0.3
234.81491	0.3
269.08279	0.4
277.39560	0.2
313.07150	14.3
313.23578	0.3
314.07413	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	313.0718
Annotation	Sophoracarpan B
Peak:m/z	Relative Intensity
59.01383	3.7
63.02397	4.9
65.00330	3.1
65.00606	0.6
71.01385	0.7
83.01348	0.6
83.05006	0.7
84.16840	0.7
89.02462	0.7
101.02415	1.0
107.01385	3.5
109.02949	0.8
119.01375	0.9
119.60574	0.7
121.02892	1.7
143.05014	4.3
145.02931	1.8
145.43567	0.7
147.00879	1.1
151.00290	1.2
165.07031	1.4
173.69995	0.6
181.06578	1.5
185.06091	1.7
197.06046	3.1
209.06133	3.9
211.04047	0.8
225.05647	1.5
253.05046	100.0
254.05377	6.2
271.06171	8.0
313.07190	37.3
313.23904	6.7
314.07520	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41613	0.9
57.03456	1.1
59.01114	1.2
59.01382	14.4
62.70622	0.9
66.89716	0.7
69.28234	3.1
69.28659	4.6
71.01370	1.3
73.05812	0.8
83.04974	1.1
97.06574	1.2
99.08103	0.8
109.02994	0.9
121.10234	2.0
123.08119	0.9
125.09698	3.0
127.11269	4.8
137.09737	1.3
139.11293	13.5
141.12837	1.5
150.54915	0.8
155.10799	2.9
161.04552	1.1
167.10852	1.3
171.10269	63.8
172.10564	1.7
181.12392	1.2
183.01085	1.3
183.10303	4.8
185.11824	13.3
193.12315	2.0
197.11827	1.7
201.11317	9.9
211.13333	4.4
223.20645	5.2
249.22171	1.1
251.11296	2.6
267.19525	2.2
275.20108	5.0
293.17926	1.8
293.21246	26.7
294.21552	1.9
309.30399	1.0
311.16586	3.5
311.22244	100.0
312.22702	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03439	2.3
59.01385	7.1
70.28745	2.1
78.33916	0.8
99.08157	1.1
99.38011	0.7
121.10197	1.6
125.09705	3.3
127.11295	5.3
129.09233	1.7
130.68153	0.7
139.11273	10.7
151.11345	0.8
155.10762	3.1
165.09186	1.5
171.10255	62.4
172.10585	1.9
183.01175	2.2
183.10301	4.7
185.11794	9.3
193.13971	0.8
197.11816	3.2
199.13443	1.2
201.11310	12.4
211.13387	4.5
220.72369	0.7
222.40535	0.9
251.11298	1.0
275.20090	3.6
293.21198	16.5
311.16565	3.5
311.22266	100.0
312.22644	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
59.01379	8.4
67.01878	0.8
69.33227	7.0
70.40842	0.7
71.05009	2.5
83.05025	1.2
84.18530	0.7
95.83517	0.8
97.02964	1.6
97.06585	0.8
99.08166	2.4
111.08158	1.3
113.09718	2.2
121.10217	2.0
125.09724	2.5
127.11256	1.2
129.09143	1.1
132.16472	0.8
139.11296	4.7
141.12767	1.8
165.12808	1.6
171.10249	15.9
174.80379	0.7
183.01274	0.9
185.11827	1.2
191.82875	0.7
193.12315	8.8
197.11865	1.2
211.13383	8.8
251.11299	1.2
275.20203	0.9
293.21222	20.1
294.21585	1.1
311.22263	100.0
312.22641	7.0
318.77167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41683	0.5
54.95924	0.5
57.57114	0.6
59.01375	3.2
68.84169	0.5
69.29855	4.2
71.01380	0.7
73.02950	0.5
75.00871	4.0
84.01566	0.5
89.03980	2.3
117.02019	0.6
117.03471	12.1
119.05087	0.4
134.03738	100.0
135.02998	11.1
135.04097	3.3
137.02492	0.7
149.04604	1.4
149.06084	6.1
161.02440	1.6
179.03439	0.6
193.05048	98.2
194.05351	4.0
201.52853	0.5
282.66019	0.5
299.12231	0.5
311.07269	1.1
311.10645	0.9
312.10101	0.6
328.82202	0.6
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	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01379	7.5
66.44328	0.6
69.31998	1.9
69.32414	3.9
71.01409	0.6
71.05014	1.0
77.27887	0.6
78.21023	0.7
83.05005	0.7
97.02930	1.1
97.06580	1.0
99.08153	1.7
101.02461	0.9
113.09711	4.4
121.10207	2.8
125.09694	1.5
127.11269	1.8
135.99223	0.6
137.09718	1.6
139.11287	25.1
140.11594	0.9
145.25259	0.7
145.99739	0.7
171.10266	37.5
172.10628	1.5
183.01048	0.7
183.10251	0.9
183.13916	0.8
185.11800	2.3
188.57103	0.8
195.13887	1.1
195.78310	0.7
199.13567	0.8
201.11308	1.5
211.13362	5.4
249.22212	1.5
251.11319	1.8
251.38007	0.7
257.92944	0.7
265.21835	0.7
275.20172	2.2
293.21207	26.1
294.21503	2.0
311.22256	100.0
312.22559	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	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.2
71.01387	2.3
72.99300	2.1
75.00871	29.6
88.87272	0.8
89.02460	6.0
89.03985	2.2
89.13730	1.0
96.95982	1.0
100.52274	0.9
115.88731	0.9
117.01947	2.3
117.03457	6.8
121.02962	2.1
134.03738	99.1
135.02997	100.0
135.03952	3.4
136.03351	2.3
137.02431	1.2
149.06105	5.9
165.90967	0.9
193.05042	84.5
194.05382	3.5
311.10925	1.9
323.14972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41537	0.4
59.01381	1.1
64.06647	0.4
70.90238	0.9
71.01404	0.4
75.00862	2.5
75.75161	0.4
89.02442	0.5
89.03951	3.3
106.04260	0.7
117.02021	0.5
117.03468	11.4
134.03738	100.0
135.02997	9.9
135.04085	3.7
137.02486	0.7
149.06084	6.7
193.05048	98.7
194.05389	4.2
264.09161	0.6
311.07681	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	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03442	4.5
59.01366	6.3
69.03448	6.3
69.32870	14.8
83.05018	4.7
97.02953	28.1
97.06557	2.6
111.08151	7.5
119.08685	2.7
123.08207	3.4
125.09703	6.8
137.09720	20.4
155.16878	1.9
163.11292	5.5
165.12842	11.7
171.10283	29.3
181.12273	4.0
183.13882	3.6
185.11827	1.9
193.12303	4.9
193.15984	3.3
195.00851	1.8
195.13835	7.1
197.11798	14.6
209.11771	5.4
211.13330	5.6
221.11841	2.5
221.15482	4.1
223.13370	4.6
227.12862	7.1
233.15337	2.5
240.16644	2.0
247.20650	11.6
251.16466	2.5
260.75446	2.0
273.18546	5.7
291.19666	100.0
292.20016	7.3
309.20682	87.3
310.20987	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
58.24556	0.6
59.01371	2.3
69.17266	7.2
71.01377	1.7
72.99308	1.7
73.02943	5.6
73.42831	0.7
75.00877	8.2
84.49793	0.8
87.00876	11.1
89.02439	1.4
89.03954	1.6
103.72870	0.7
117.01937	16.3
117.03446	8.9
119.04982	1.7
134.03743	82.4
135.03012	26.9
135.04022	1.9
135.04588	0.7
137.02432	1.2
149.04990	1.1
149.06075	7.0
150.92819	0.7
160.01653	0.9
161.02515	3.5
163.03964	2.5
164.00290	0.6
178.02734	5.4
179.03418	1.3
183.03166	0.7
190.37129	0.8
193.05051	100.0
194.05402	4.0
206.76178	0.7
221.04443	0.7
252.93214	0.7
270.08557	0.7
311.07645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
58.00573	2.2
59.01365	4.9
59.88673	2.1
69.03453	5.2
69.28969	20.1
73.90315	2.0
75.40181	2.4
83.50305	2.0
95.26327	2.4
107.08662	3.3
119.08640	20.9
125.09731	4.8
127.11227	3.8
135.08150	2.8
137.09723	36.4
151.03952	3.8
151.07677	4.5
152.08369	7.8
155.10797	4.7
167.10674	2.8
169.12292	3.0
171.10272	100.0
183.10187	4.9
185.11855	27.5
195.10135	3.0
197.11766	6.9
201.11282	7.8
209.15385	7.7
213.11305	10.3
225.14897	4.1
229.19568	5.8
247.17163	2.8
273.18591	10.6
291.19598	28.6
309.16895	11.9
309.20605	80.6
310.21008	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
59.01379	3.3
61.56070	1.5
65.28481	1.2
67.01911	2.0
70.28658	4.9
71.01408	1.9
73.37179	1.2
79.11260	1.1
96.96024	3.0
97.06605	2.4
98.19987	2.0
111.08145	1.6
121.10215	10.0
123.08153	1.5
124.56944	1.1
125.09698	7.7
132.70023	1.3
137.09714	5.5
171.10260	6.8
184.25763	1.4
185.11771	12.5
195.13940	1.7
197.11801	3.7
211.13388	61.1
212.13739	3.6
223.13557	1.5
233.15497	1.3
279.29523	1.3
291.19647	100.0
292.20044	6.1
309.17276	2.5
309.20709	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	309.207
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
50.61936	0.4
51.85743	0.4
57.03432	1.4
59.01361	1.9
62.98563	0.4
63.16722	0.5
66.22880	0.5
69.03441	0.7
70.84665	1.2
71.01378	0.7
73.02943	0.8
81.95575	0.6
83.04975	0.7
84.05293	0.5
88.38165	0.4
97.02945	0.7
97.06568	1.8
99.00903	0.5
106.80607	0.5
121.10150	0.6
123.08147	1.8
125.09718	5.6
127.11253	1.7
137.09737	1.7
139.11273	1.0
141.09186	2.4
141.12769	0.5
151.03928	0.6
151.07626	1.5
152.08379	1.1
153.09204	1.4
155.10767	1.3
155.14365	0.6
167.10823	0.8
170.99228	0.5
171.10266	4.8
183.13921	1.1
183.34987	0.4
183.83727	0.4
185.11783	1.5
199.01468	0.5
199.09729	5.2
200.10497	6.0
201.11320	4.3
205.89873	0.5
209.15474	1.8
211.16986	0.7
213.11276	1.3
215.12869	0.8
226.12129	0.6
247.20604	6.8
252.10030	0.5
263.20218	1.1
265.18271	0.7
265.21716	2.3
273.18570	0.9
281.21210	1.5
291.19635	13.4
292.19901	1.1
309.20670	100.0
310.20999	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90685	1.7
57.03424	3.4
59.01373	12.3
62.62665	1.8
70.48530	2.4
70.48888	5.9
71.01366	3.7
71.05014	13.7
93.03482	2.5
95.37630	1.7
96.95988	8.1
97.06580	5.8
107.05032	2.7
119.08655	2.2
121.03020	2.0
121.10212	8.5
123.08143	2.0
125.02383	2.9
125.09718	8.9
131.54706	1.9
135.08130	2.3
137.09718	14.0
140.55206	2.1
152.08432	2.4
171.10257	30.7
171.70061	2.1
185.11803	11.3
197.11789	3.4
202.99840	2.9
207.13979	2.3
209.15428	2.4
214.41646	2.1
219.13960	2.4
233.15254	2.4
237.14957	2.3
247.20682	3.0
251.16515	39.0
252.16925	2.6
265.21039	1.8
273.18497	5.2
275.16452	2.0
291.19632	85.3
292.19885	6.5
293.17502	6.0
309.03867	4.0
309.13828	4.1
309.17365	8.0
309.20660	100.0
310.21091	5.8
320.05539	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.91373	1.4
57.03445	3.0
58.04438	1.4
59.01355	6.0
62.17171	1.4
63.65694	1.3
67.01890	2.1
69.03446	3.5
71.05008	4.2
71.53259	2.8
80.02677	11.9
81.03444	5.5
83.05026	33.0
84.02166	13.7
93.03402	1.9
96.95982	3.2
97.02859	2.0
97.06567	6.1
99.00862	2.0
99.08161	9.6
101.02435	1.4
109.02937	2.7
109.06555	4.8
111.08130	2.8
113.09657	1.9
115.07603	5.3
123.04506	3.0
123.08183	1.9
125.09682	5.3
127.11256	5.4
135.08083	1.5
137.09720	51.9
138.10081	1.7
139.07643	1.6
139.11284	9.1
149.02429	1.9
151.03963	3.8
151.07617	5.8
151.11203	4.1
152.08447	7.8
152.23466	1.3
153.09222	10.2
154.09917	2.0
155.10776	59.2
165.12849	2.9
167.10738	4.5
171.08813	2.8
171.10260	56.1
175.00310	1.9
179.10779	1.8
183.01137	2.0
185.11739	2.3
193.12314	30.9
195.13838	1.8
209.02751	2.2
209.11771	5.4
209.15454	10.1
210.03496	2.0
211.13301	6.0
221.11635	2.5
223.04315	2.8
237.05716	4.5
247.20583	8.5
252.09869	2.0
263.20065	7.4
265.17917	1.9
265.21652	4.4
291.19644	100.0
292.19958	7.0
309.14838	39.9
309.20584	91.2
309.24109	2.4
310.17743	1.7
310.20981	6.1
313.23615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.38222	1.3
57.03447	2.8
58.00594	1.4
59.01372	4.3
62.89728	1.9
69.03432	7.2
71.29602	1.8
71.29929	2.4
74.38322	1.6
83.04988	1.5
92.73109	1.9
108.05821	2.0
111.08136	3.7
113.33439	1.4
119.08665	15.5
125.09724	6.5
127.11244	3.7
135.08191	4.1
137.09718	31.5
138.10088	1.6
139.11234	2.2
151.04024	2.7
152.08379	4.2
155.10818	3.7
167.10780	2.8
171.10262	100.0
172.10634	3.1
183.10210	7.0
185.11812	23.2
195.10147	1.9
197.11844	8.0
201.11308	8.5
209.15523	3.2
211.13365	2.5
213.09477	1.7
213.11258	8.9
229.19524	3.6
273.18625	8.3
279.35956	1.6
291.19653	36.8
292.19955	1.9
309.17078	7.7
309.20688	39.3
310.20929	3.7
311.47220	1.5
334.88043	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01891	1.3
57.03451	1.4
67.01865	1.2
69.03471	5.9
69.57205	5.9
69.57613	1.8
80.02672	1.2
81.03422	1.2
83.05011	3.2
84.02179	1.1
85.02954	4.9
95.01381	1.8
97.02947	64.3
97.06587	1.3
99.00906	5.4
111.08148	4.0
119.08672	7.1
123.00862	1.2
125.09656	3.2
127.11314	1.7
137.09723	23.9
151.04036	16.7
151.07654	24.3
152.07278	1.8
152.08446	31.4
153.09013	2.0
163.79210	1.1
167.10739	1.1
170.21420	1.0
171.10286	38.8
172.10577	1.4
177.12749	1.3
183.10330	1.2
184.07372	5.4
185.11794	4.1
190.09964	2.1
193.08754	1.3
193.12344	1.2
195.13896	3.6
201.11412	1.3
208.11024	3.5
209.15465	43.0
210.15845	2.5
211.13304	3.4
213.11388	1.6
221.11867	7.1
239.12888	7.1
247.16931	2.3
252.10023	6.4
265.18015	9.1
273.18591	4.3
283.07474	1.1
291.16245	2.7
291.19638	26.3
309.17026	76.0
309.20679	100.0
310.17380	4.1
310.21045	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11158	1.7
56.99014	2.0
57.03442	1.7
59.01366	7.8
64.01956	1.8
69.03420	1.9
71.01377	3.3
71.05017	16.7
76.22361	1.6
89.02427	1.9
96.96005	4.1
97.06600	4.9
98.20692	6.2
104.87755	2.0
107.05016	2.5
109.46952	1.7
121.10236	9.9
123.04543	2.2
123.08157	2.9
125.09732	13.7
137.09703	17.1
158.28622	2.3
171.10266	36.2
185.11807	12.9
197.11841	2.4
211.13562	2.9
225.13269	1.8
229.46928	2.3
230.23421	2.2
235.17021	2.3
237.15121	3.8
251.16507	39.7
252.16747	2.9
273.18533	4.6
291.19653	89.5
292.19952	6.6
293.17572	2.5
309.17645	3.6
309.20697	100.0
310.21045	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01875	1.2
58.00581	2.5
59.01379	88.1
70.84295	2.1
71.01381	38.8
72.99282	2.8
73.02929	3.9
73.49914	0.9
75.00464	1.6
75.00869	19.0
83.01384	3.2
83.16418	0.9
85.02952	11.3
85.06591	1.6
86.97350	1.0
87.00860	2.8
89.02444	46.4
95.01382	3.4
99.00879	1.5
101.02443	27.8
107.01747	0.9
113.02448	16.0
119.03499	22.1
120.48420	0.9
129.05586	2.7
131.03465	1.8
143.03479	1.8
147.06609	2.4
149.04565	1.2
159.02873	1.2
161.04555	4.7
163.04001	1.5
175.03996	1.0
179.05606	2.3
191.05591	2.1
197.00986	0.9
237.06125	12.3
247.12024	1.0
249.09764	1.9
309.11887	100.0
310.12204	4.2
317.26456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2641
Annotation	2beta,15-Dihydroxylabd-7-ene
Peak:m/z	Relative Intensity
57.03459	8.5
57.40744	1.6
59.01365	7.5
69.03428	2.4
71.01386	21.3
71.92368	1.5
72.02160	18.1
73.02943	7.7
81.03457	3.7
85.02947	2.3
87.04514	100.0
95.05022	3.5
96.96011	1.6
97.06573	2.5
98.20647	4.9
99.04487	5.2
101.02469	2.1
109.06582	4.0
112.59974	1.7
119.01393	1.6
129.93031	1.8
135.04398	2.0
135.08105	1.7
139.07617	10.2
147.00911	1.7
153.09224	3.3
155.14389	15.4
157.22513	1.8
161.04539	3.4
169.15984	10.5
179.03491	1.9
191.00015	2.7
216.97812	2.3
224.29971	1.8
233.22699	2.3
263.23776	63.0
264.23993	3.4
271.24246	6.5
277.25366	14.6
278.25916	1.9
288.96167	2.4
289.25406	21.1
305.24847	3.1
307.10370	4.0
307.22836	4.2
307.26410	79.3
308.26718	6.6
311.84769	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	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01377	0.6
61.51559	0.3
69.97324	1.4
71.01385	0.5
72.09747	0.3
96.96030	0.5
100.18447	0.3
101.02460	0.4
113.09644	0.3
119.01411	0.4
147.00862	0.4
161.04568	0.7
163.00394	0.5
191.14507	0.3
213.14906	0.4
222.87717	0.3
257.80432	0.3
281.31970	0.3
288.96301	0.4
306.97229	0.5
307.22784	100.0
308.23138	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.4
59.01367	5.8
60.51923	1.3
69.03447	1.4
69.25198	8.4
69.25619	4.2
71.01379	3.6
73.02943	2.4
80.02686	2.3
81.03444	6.0
83.01393	7.6
83.05033	3.2
93.03457	1.9
95.05016	3.8
97.02947	6.6
97.06587	9.0
101.02411	1.6
106.04225	1.6
108.02092	1.5
109.02970	1.3
109.06598	2.3
111.06613	1.5
111.08147	1.4
114.38613	1.3
119.01374	1.6
121.06612	3.5
123.04501	8.9
123.08219	2.8
125.06023	1.5
125.09716	14.3
131.78223	1.4
135.04500	1.5
135.08076	2.3
137.09717	12.3
141.12872	4.2
142.02711	1.7
149.06143	1.9
151.11244	2.0
160.08974	1.7
161.04573	2.7
162.10504	1.5
163.00513	1.4
163.07588	2.2
163.11285	16.7
165.09196	1.6
165.12811	4.9
167.10783	2.0
171.10242	2.0
177.12903	2.5
179.03415	2.1
179.10780	1.9
181.12344	2.9
185.11826	18.9
191.10837	2.4
191.14394	17.6
192.14601	1.3
207.10301	12.6
209.11821	30.2
210.12041	1.4
211.13376	1.9
217.15971	1.8
225.11305	6.8
226.11975	1.9
245.16664	2.8
245.19093	44.2
246.19444	3.1
263.20218	1.4
271.17001	4.4
289.18079	100.0
290.18414	5.5
307.10327	2.7
307.19119	57.6
308.19199	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	307.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	6.4
59.01375	29.9
63.38493	2.9
65.03643	3.6
65.03963	56.3
69.03446	3.8
69.24216	27.2
71.01385	28.5
71.05021	34.9
72.99334	3.7
73.02946	12.8
83.01372	4.7
85.02958	10.3
87.00866	6.1
89.00299	3.2
89.02441	6.6
91.01923	3.9
96.96004	8.2
97.06587	61.8
101.02438	11.8
113.02451	3.8
119.01361	6.3
119.08661	8.2
121.06597	94.4
121.28438	3.1
125.09715	35.9
135.00850	3.8
135.04547	6.0
137.09734	5.5
145.02902	6.2
147.00882	5.6
161.04532	23.6
163.00330	4.8
166.31537	4.0
179.03458	9.3
185.11816	77.7
209.11786	30.6
211.13379	31.7
235.13379	100.0
262.97919	3.4
289.18054	17.3
306.97479	4.9
307.01675	4.5
307.10532	25.4
307.15683	8.4
307.19131	37.7
307.22192	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09489	3.1
56.26245	4.3
57.03440	13.9
58.02502	3.9
59.01382	32.1
63.64297	3.3
66.31679	3.4
69.03446	7.8
71.01384	35.1
72.99287	4.5
73.02927	8.6
81.14333	3.4
83.01394	3.9
83.05033	5.0
85.02953	11.3
87.00880	4.9
89.02441	5.4
91.01881	7.8
93.03432	4.4
93.07078	4.1
95.05048	4.4
97.02902	4.6
97.06585	16.8
101.02467	9.8
107.08684	4.9
111.00806	4.2
111.08165	10.6
115.28634	3.9
119.01389	6.9
119.05013	3.6
121.06590	16.5
125.09708	18.4
135.04532	12.1
135.08167	14.3
137.09850	4.0
145.02905	3.9
147.00909	5.5
149.06180	4.2
151.11273	20.8
153.09244	12.9
155.10760	11.0
161.04501	22.3
163.00389	6.0
163.11307	5.3
165.12775	19.2
167.10751	8.9
171.10216	44.0
175.00343	4.0
179.03511	6.1
179.10751	11.5
181.12389	18.9
185.11818	68.5
190.99886	4.2
191.10704	11.4
191.14410	5.3
209.11827	54.0
211.13371	9.7
212.10580	6.0
216.97742	8.6
224.10449	4.4
245.19128	41.6
261.18665	5.1
263.20187	13.5
279.19632	11.9
289.18002	51.8
306.97180	5.6
307.10587	21.3
307.13351	4.5
307.19055	100.0
308.19543	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62553	0.6
59.01371	6.9
64.47173	0.8
69.03442	1.2
71.01376	5.1
71.05019	5.8
71.53410	0.9
73.02940	2.8
78.14658	0.7
80.02656	1.1
81.03461	2.0
83.05009	1.8
85.02950	2.5
89.02446	2.0
91.01881	1.1
95.01357	0.8
95.05002	1.8
96.96005	3.2
97.02957	1.4
98.03728	1.4
101.02438	2.1
101.45586	0.9
107.04996	1.0
109.06589	12.8
111.04521	6.4
111.08110	1.0
113.02471	1.3
119.05045	0.9
120.60307	0.7
123.04540	0.7
123.08162	1.5
127.07634	2.9
135.04475	1.5
137.09712	1.5
143.10789	0.8
145.06560	2.4
147.00877	1.2
149.06140	0.8
149.09702	1.4
161.04552	4.9
163.00372	0.9
167.10722	2.3
179.03517	1.7
179.10782	1.2
195.13908	3.9
200.64113	0.8
202.58231	0.8
216.97829	1.1
235.13310	1.5
245.19072	6.0
251.16452	1.6
271.17032	1.9
284.22763	0.9
287.16473	2.7
288.96304	0.8
289.18076	100.0
290.18433	9.8
307.10519	4.3
307.15875	2.0
307.19092	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
57.03450	6.1
59.01376	12.9
61.98801	1.7
65.03965	60.8
65.81091	2.0
71.01380	14.1
71.05023	35.8
73.02951	5.0
75.34828	2.6
83.05035	3.8
85.02944	5.0
87.00877	3.6
91.01875	2.4
95.01383	2.5
95.05029	2.0
96.95983	2.6
97.06583	69.5
98.06910	2.0
101.02451	6.1
113.02425	2.7
119.01417	1.8
119.05028	2.0
119.08641	10.2
121.06592	100.0
122.06878	2.2
123.08142	3.0
125.09723	41.7
135.04480	3.0
135.08168	8.2
137.09706	4.8
145.02930	2.7
161.04570	13.9
163.00334	2.7
163.11404	1.9
171.10292	6.5
172.10213	2.0
179.03525	3.4
185.11819	78.5
186.12321	2.3
188.59448	2.1
209.11816	28.6
211.13396	38.8
213.18118	1.9
233.15454	1.9
234.98814	1.9
235.13387	89.9
236.13806	2.8
249.15102	2.7
289.18106	22.9
307.10645	9.6
307.15604	3.9
307.19122	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
64.70629	0.5
65.20863	0.4
69.40422	0.5
69.44727	0.8
69.45137	2.6
71.01360	0.5
74.99068	7.6
79.33334	0.4
84.47623	0.4
91.02230	2.8
93.00141	1.4
109.83368	0.5
129.10007	0.5
135.04482	0.4
143.05302	0.7
145.02905	0.4
149.00929	2.9
159.08463	6.9
161.06380	1.1
176.95961	0.4
181.38107	0.5
192.98001	0.9
206.99727	1.4
209.01202	2.5
216.97639	0.5
217.07224	0.9
223.02826	51.9
224.02884	4.1
241.03818	0.7
289.07498	1.3
291.09085	100.0
292.09210	8.7
307.12396	3.4
309.10004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58088	0.3
59.01381	0.9
59.96735	0.3
71.01389	0.6
74.99072	6.4
89.02386	0.3
91.02230	2.5
92.85613	0.2
93.00133	1.7
107.41692	0.3
111.03151	0.3
143.05367	0.5
149.00940	2.5
159.07207	0.5
159.08469	8.3
161.04556	0.5
161.06406	2.1
179.03493	0.5
189.67860	0.3
192.98126	0.7
206.99672	1.6
209.01260	3.0
216.97775	0.4
217.07236	0.9
223.02837	52.2
224.02870	3.4
225.00652	0.5
241.03908	0.9
257.36093	0.2
263.01755	0.3
275.05911	0.5
288.61945	0.3
289.07617	2.0
291.09100	100.0
292.09229	8.8
306.97388	0.4
307.12363	2.9
309.10153	0.9
320.51614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0855
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
52.94627	0.5
59.01379	31.5
63.40647	0.4
66.91171	0.5
69.47363	3.5
79.95734	1.0
81.54758	0.4
84.14949	0.5
85.06573	0.9
96.96008	100.0
97.02932	0.6
99.84746	0.5
119.70182	0.4
123.08183	0.7
130.48065	0.5
151.91800	0.5
154.09843	0.4
167.10760	1.6
227.12865	24.5
228.13127	1.0
307.08551	84.9
308.08896	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	3.9
55.01865	2.4
59.01110	2.7
59.01380	38.4
59.98518	2.6
67.01888	2.1
69.03455	20.1
70.89878	4.1
71.01392	21.4
72.99306	15.2
79.01898	1.8
83.01431	2.0
84.02181	1.5
85.02940	5.2
85.06595	18.2
89.02448	16.0
95.01397	11.0
96.95988	2.1
97.02953	97.2
99.08147	20.7
101.02454	16.4
111.00860	3.6
113.02439	6.3
113.06067	2.3
115.04006	2.2
119.03502	7.3
121.02917	4.6
123.00864	4.9
127.07627	2.8
130.05923	1.6
141.01941	82.6
141.09215	2.9
142.02290	2.0
145.08713	57.7
166.99898	7.6
185.00887	14.2
187.09740	1.8
192.54575	1.5
201.05635	2.9
307.13971	100.0
308.14282	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
65.75121	0.3
66.60857	0.2
69.77007	1.3
121.02932	0.4
161.98946	1.1
162.98534	0.6
163.98608	0.4
164.96388	64.1
165.96466	2.9
188.50604	0.2
206.97435	24.7
207.97601	1.3
306.97534	18.9
307.97601	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55175	0.7
54.31928	0.7
59.01376	7.0
71.01385	4.9
71.01727	0.8
71.51620	0.8
73.02947	2.7
79.08125	0.7
79.95718	1.0
80.96497	1.0
81.03494	0.8
83.01373	1.0
85.02938	2.5
87.00882	1.5
89.02454	1.9
93.03453	2.8
96.96011	1.6
97.02960	1.0
98.95568	1.7
99.00873	0.9
101.02451	2.7
109.02938	1.1
117.03466	1.8
119.05013	2.1
121.02942	2.7
127.39095	0.8
131.21169	0.7
131.76944	0.7
133.02943	2.7
133.06564	0.8
134.03731	2.1
135.04521	49.7
135.95428	0.9
136.04845	1.1
137.02446	2.7
141.01964	1.2
141.04169	0.8
145.02968	3.8
145.05064	2.0
147.04497	2.3
149.02452	6.2
151.03938	0.9
161.02426	3.6
161.04585	2.7
163.03975	4.7
164.01152	1.2
165.01927	5.4
173.02351	1.4
175.03973	2.2
177.01956	2.0
179.03488	52.3
180.03792	1.2
189.01907	2.5
190.99701	0.9
191.03476	8.4
191.98972	1.3
192.00623	9.6
193.01416	37.5
194.01802	0.9
207.02921	0.9
217.01379	4.8
218.99332	0.9
219.02954	3.1
221.00893	3.0
235.02463	31.0
245.00900	6.0
263.01947	100.0
264.02261	3.1
289.07062	1.1
307.00903	28.3
307.04526	3.5
307.07782	10.1
307.13400	1.0
307.17642	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	305.2485
Annotation	ent-Verticillanediol
Peak:m/z	Relative Intensity
57.03456	9.6
59.01370	5.6
68.99791	1.9
69.03442	4.5
69.55244	4.4
69.55658	7.2
71.01376	27.3
71.05000	4.3
72.02161	17.8
73.02937	8.1
81.03461	2.1
83.01431	2.0
83.05020	4.4
85.02947	2.9
87.00879	4.1
87.04511	100.0
89.00314	6.5
93.03467	2.6
94.16528	1.6
95.04992	1.8
97.06580	4.3
98.03706	3.2
99.04498	6.4
101.06129	1.6
104.60979	1.9
109.06555	6.2
121.06676	2.7
123.08110	3.0
125.40659	2.1
127.00374	6.2
127.11285	3.0
133.03073	1.9
135.08096	2.1
137.02434	2.2
139.07654	18.9
141.12820	2.1
151.11261	2.0
153.09195	10.6
153.12819	5.1
160.98793	7.6
161.02370	3.6
165.09201	2.8
167.14424	2.3
178.02719	1.8
188.98305	2.1
189.01938	2.5
205.07983	1.8
205.19594	8.5
216.97769	2.7
217.01375	4.7
229.03618	2.2
232.97278	6.6
233.22696	2.9
245.01031	2.3
253.27309	2.1
261.22235	31.1
269.22742	4.9
273.00446	4.4
275.23758	2.9
287.23773	22.4
305.08609	2.4
305.24820	65.8
306.25217	4.8
311.68762	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	305.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.0
65.43097	0.4
69.99832	1.9
75.83015	0.4
79.95727	2.8
82.19594	0.4
84.29597	0.4
93.41691	0.4
93.60991	0.4
96.96007	100.0
97.06584	1.3
103.52834	0.4
135.08209	0.5
147.08148	1.5
163.11411	0.4
165.09227	0.6
178.36237	0.5
181.12303	0.5
225.11311	22.0
226.11658	1.4
305.06976	96.7
306.07333	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	305.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44828	0.5
59.01379	34.7
70.71704	0.5
73.64556	0.5
79.95756	2.3
96.96011	96.9
97.06576	1.0
98.19850	0.9
107.52792	0.6
115.99246	0.6
127.93728	0.5
128.30289	0.6
135.08174	0.6
147.08122	1.5
162.74570	0.7
165.09212	0.7
181.12317	0.8
225.11314	23.2
226.11580	1.0
269.05701	0.6
305.06992	100.0
306.07297	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	305.0302
Annotation	Methyl brevifolincarboxylate
Peak:m/z	Relative Intensity
69.58799	4.6
69.59197	1.1
77.46464	0.6
78.89148	0.6
96.95985	1.6
98.20001	1.4
113.27066	0.6
117.03442	2.8
118.27421	0.6
119.05096	0.6
120.52209	0.6
121.02921	0.7
129.03413	0.8
133.02911	3.4
145.02933	6.7
150.02306	0.6
161.02429	9.4
163.04001	1.9
173.02434	5.6
189.01941	13.1
201.01889	5.1
217.01410	45.0
218.01743	1.7
229.01411	4.6
245.00900	42.8
246.01207	1.9
273.00397	100.0
274.00717	4.8
288.99603	0.8
305.03021	53.4
306.03409	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	305.0665
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
52.75957	0.7
54.03814	0.7
54.42403	0.6
56.35992	0.6
57.03447	7.6
57.27666	0.7
57.50661	0.7
59.01377	1.4
69.03431	1.9
70.70898	1.5
70.71238	1.0
71.01381	0.7
71.14278	0.7
77.03953	0.7
81.03448	3.4
83.01391	4.1
83.05025	0.9
85.02956	1.2
93.03468	2.6
94.38578	0.7
95.01391	3.1
95.05034	3.9
96.96025	2.3
97.02956	4.5
99.08096	0.7
106.29982	0.7
107.05033	0.9
109.02953	15.8
111.04543	5.3
121.02965	2.7
123.00899	6.1
123.04527	1.5
124.01657	5.4
125.02444	100.0
126.02777	2.6
133.02937	1.7
135.04544	1.9
137.02440	33.0
138.03195	2.1
139.04013	22.7
147.08174	0.8
149.02419	1.4
149.06082	2.7
151.03978	2.2
154.03442	0.7
159.04536	1.9
161.02431	4.4
163.07648	0.8
164.01160	7.9
165.01926	22.2
165.03299	1.5
166.02611	1.2
167.03487	23.7
168.03816	0.8
173.06062	1.5
175.04025	3.1
175.71831	0.7
176.04803	0.8
177.01941	2.8
177.05568	6.1
178.02687	1.2
179.03490	22.7
181.05052	0.9
185.00929	0.7
189.01895	1.3
189.05540	0.9
191.07135	2.7
199.07658	0.8
201.05534	2.2
203.03493	3.7
204.04309	3.4
215.07080	1.0
217.05064	0.9
218.05836	0.8
219.06580	17.9
221.04533	8.9
233.08125	0.8
237.07726	1.1
243.06505	1.6
261.07645	7.9
263.05582	0.9
305.06625	67.3
306.07047	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25198	0.6
58.02972	37.4
65.40855	0.6
67.89137	0.6
69.34277	3.8
69.34693	1.7
69.74026	0.6
69.80117	0.6
89.00301	0.7
100.78330	0.6
168.13928	100.0
169.14301	3.9
212.12846	3.5
232.97284	0.6
250.26656	0.6
252.31941	0.6
290.94235	0.8
304.00833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
58.25206	0.3
60.97506	0.8
69.26269	3.1
74.99084	0.8
98.19865	0.6
99.21299	0.3
118.96281	1.4
134.99388	5.8
136.97330	1.4
142.71324	0.3
143.05341	2.1
150.98825	0.3
159.08438	1.5
161.06403	4.7
185.02492	0.4
201.04039	0.3
203.05632	3.6
205.03564	0.7
215.05666	1.1
217.07204	85.6
218.07306	5.2
235.08516	0.4
283.12012	0.6
284.99435	0.4
285.13474	36.7
286.13644	3.3
300.99878	7.1
301.16589	100.0
302.16833	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	304.001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
60.01727	0.2
61.98827	100.0
68.64832	0.2
69.96125	0.8
86.49563	0.2
93.08797	0.2
98.19952	0.2
99.58970	0.2
159.01500	0.5
159.97290	0.2
160.01698	1.1
161.01164	1.1
161.98947	19.4
162.99017	0.7
202.02820	0.4
203.02301	0.3
203.99980	3.8
205.00081	0.3
261.98944	0.5
304.00024	12.2
304.02713	0.7
305.00113	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	301.0565
Annotation	fludiazepam
Peak:m/z	Relative Intensity
57.98949	0.4
64.53336	0.4
66.27964	0.4
69.03450	2.1
69.52371	3.0
79.01889	1.2
81.03465	0.9
81.79034	0.4
83.01405	0.9
95.01368	1.0
97.02957	2.1
107.01391	2.0
117.62648	0.4
121.02979	0.6
123.00893	3.4
124.01662	14.9
124.02520	0.9
125.02449	54.6
126.02807	1.3
139.04025	0.5
149.99583	27.8
151.00368	3.8
168.00639	71.5
169.01437	8.0
283.04520	6.5
301.05640	100.0
302.05991	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0563
Annotation	fludiazepam
Peak:m/z	Relative Intensity
53.34764	0.5
58.13024	0.5
69.03457	1.3
69.44414	3.7
79.01883	1.3
81.03471	0.5
83.01379	0.8
95.01422	0.6
97.02955	2.0
107.01401	1.6
118.22048	0.5
123.00878	3.5
124.01666	14.6
125.02446	51.0
126.02807	1.1
127.06654	0.5
149.99582	28.2
151.00352	2.6
154.16927	0.4
167.03487	0.7
168.00636	66.8
169.01433	7.8
173.03702	0.5
193.65701	0.5
283.04581	6.1
301.05630	100.0
302.05920	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	301.0929
Annotation	Isotachioside
Peak:m/z	Relative Intensity
59.01382	4.4
64.46012	0.4
65.00285	0.4
69.03450	1.0
69.20951	4.0
71.01377	6.6
72.99323	0.6
73.02946	1.9
75.09087	0.5
79.01893	0.9
81.03452	0.5
82.22508	0.4
83.01399	1.0
85.02949	1.8
89.02453	2.1
93.03449	1.2
94.03783	0.5
95.01395	5.4
97.02947	0.8
97.36028	0.4
98.19872	1.0
98.94072	0.5
99.00867	0.7
101.02442	3.5
107.01381	1.3
108.02145	0.8
109.02977	1.1
113.02477	2.8
113.44862	0.5
121.02975	2.3
123.00883	100.0
124.01719	9.8
125.02442	21.7
137.02435	4.1
138.03226	57.6
139.00391	1.4
139.04021	13.1
140.01151	0.4
140.04419	0.6
145.01439	1.0
149.02431	2.4
149.99579	6.7
150.03241	0.8
151.00365	5.7
151.04001	1.3
153.01926	0.7
161.04553	3.1
162.10379	0.5
163.03983	1.5
166.02774	2.5
167.99210	0.9
168.00636	18.5
169.01408	20.0
170.01674	0.7
178.02809	0.8
181.05052	5.7
193.05064	2.4
211.02425	0.9
239.12492	0.5
241.03584	1.4
263.51431	0.5
283.04578	1.5
301.00433	6.0
301.05652	43.6
301.09183	3.2
301.21719	2.0
302.00150	0.6
302.06021	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	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84344	0.3
68.99847	0.2
69.03468	0.4
69.44752	0.6
69.45161	1.5
77.03966	1.2
79.01880	0.4
83.01382	1.1
92.66260	0.3
93.03453	1.9
95.01382	0.4
97.02939	2.9
99.18550	0.3
108.42778	0.3
109.02965	1.1
117.03497	0.9
121.02947	5.2
121.74419	0.2
122.03277	0.3
123.00874	0.4
129.03474	0.8
129.26001	0.3
137.02441	24.2
138.02882	0.3
139.00449	0.3
145.02933	2.6
147.04486	0.5
151.00380	0.5
157.02965	1.2
161.02419	0.5
163.04004	0.8
165.01929	100.0
166.02269	2.9
167.73547	0.3
173.02419	3.0
183.13928	0.8
185.02452	3.7
189.01953	0.7
199.00322	0.4
200.01132	0.7
201.01941	2.9
212.00995	0.3
213.01926	0.4
216.00658	0.4
217.01402	0.9
226.99873	1.0
228.00601	0.7
229.01392	4.6
244.00102	0.7
245.00821	2.1
245.04524	0.5
257.00903	1.9
273.00317	0.4
283.99609	5.0
284.99905	0.4
299.99115	4.6
300.99896	87.2
301.03232	4.5
301.21713	0.6
302.00229	5.0
302.03729	0.5
303.05045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72971	0.5
52.78669	0.5
62.64717	0.5
63.02393	9.3
64.99583	0.6
64.99969	0.8
65.00320	16.0
69.16670	5.4
83.01382	10.1
90.23093	0.6
93.03447	4.8
95.01351	0.9
107.01389	26.1
109.02936	2.6
117.03487	0.6
121.02953	19.7
125.02474	1.2
129.03436	1.1
133.02933	0.8
139.04002	1.9
145.02921	2.6
147.04483	0.7
149.02432	2.9
151.00360	71.3
152.00777	2.2
157.02922	0.7
159.04430	1.0
161.02316	1.1
163.00336	1.1
163.03995	1.6
164.01135	1.8
165.12802	1.0
169.01434	1.6
173.02420	2.2
175.04016	0.5
178.99850	25.3
180.00233	1.3
183.04524	0.6
183.13885	26.2
184.14223	1.2
185.02374	3.0
187.03934	1.4
193.01299	1.3
200.01187	0.8
201.01952	3.5
201.05508	0.9
211.04024	1.0
215.03442	0.6
217.01346	1.0
226.99835	0.9
227.03508	1.2
227.12827	1.1
228.00598	0.8
229.01448	3.5
229.05014	1.8
240.04216	0.7
243.02946	1.2
244.00095	0.6
245.00934	1.9
245.04494	2.0
255.03026	1.1
257.00879	2.3
257.04730	1.3
273.00705	1.1
273.04013	4.0
283.99670	4.9
299.02051	0.7
299.99075	3.6
300.99908	80.4
301.03546	100.0
301.16531	2.2
302.00259	4.9
302.03894	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	300.9988
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
63.71182	0.3
65.00311	0.5
69.03429	0.3
69.41225	1.0
69.41650	1.0
69.89027	0.3
75.05696	0.2
75.43830	0.2
77.96139	0.3
93.03500	0.3
94.58870	0.3
107.01374	0.5
117.03443	0.8
125.02420	0.3
129.03459	0.9
133.02901	0.2
139.11357	0.4
145.02945	3.0
147.04532	0.5
151.00366	1.1
157.02943	1.5
161.02481	0.3
163.04056	0.9
172.01622	0.3
173.02406	3.3
178.99884	0.4
183.10243	3.0
184.01691	0.6
185.02446	4.3
189.01936	0.9
199.00386	0.5
200.01144	0.6
201.01891	3.9
213.02014	0.4
217.01414	1.4
226.99858	1.0
228.00644	0.6
229.01402	5.1
230.01810	0.4
244.00206	0.3
245.00943	2.4
245.04524	0.5
254.99419	0.3
257.00903	2.4
273.00366	0.5
273.03928	0.5
283.99619	5.3
284.99649	0.3
289.77554	0.3
299.99121	5.2
300.02213	0.5
300.99884	100.0
302.00226	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	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	94.1
60.01723	0.6
69.72020	2.6
91.52812	0.4
92.32240	0.4
115.02522	12.7
116.02584	0.6
117.00444	6.5
156.99924	0.8
157.03583	2.9
159.01497	100.0
159.97491	0.5
160.01649	5.4
186.16197	0.4
199.56250	0.5
201.02550	23.4
202.02649	1.2
217.00494	1.2
241.00566	0.5
259.01569	2.7
259.69800	0.5
267.51352	0.5
272.10486	0.4
272.76840	0.4
301.02676	46.9
301.21741	3.6
302.02838	5.6
302.05875	0.8
304.52170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99909	0.2
54.16753	0.2
61.02020	0.2
64.64709	0.2
65.00347	0.2
79.42464	0.2
86.33888	0.2
90.42072	0.2
97.14220	0.2
98.20654	0.9
107.01410	0.5
109.02915	0.3
113.63588	0.3
117.03457	0.7
121.02976	0.5
129.03448	0.9
133.02948	0.4
145.02965	2.9
147.04503	0.6
151.00356	1.3
157.02959	1.3
159.00853	0.4
160.01642	0.3
161.02502	0.7
163.03989	0.8
171.00873	0.3
172.01688	0.3
173.02449	2.9
178.99850	0.4
184.01645	0.4
185.02438	4.0
189.01941	1.1
199.00313	0.6
200.01067	0.8
201.01927	3.8
213.01897	0.7
216.00542	0.4
217.01485	1.2
226.99893	1.0
228.00577	0.7
229.01384	5.4
243.99992	0.5
245.00877	2.7
245.04567	0.3
254.99416	0.6
256.03436	0.4
257.00912	2.4
257.04361	0.5
272.02777	0.7
273.00412	0.5
273.03833	0.3
283.99576	5.5
285.00018	0.3
299.99088	5.2
300.99878	100.0
302.00220	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	300.9989
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
53.29530	0.3
56.82779	0.3
61.63670	0.3
65.00324	0.5
83.01384	0.4
93.03448	0.4
116.12686	0.3
117.03448	1.0
125.02444	0.6
129.03471	1.1
133.02965	0.6
141.03400	0.3
143.43668	0.3
145.02931	3.4
147.00795	0.3
147.04527	0.4
151.00374	1.2
152.01134	0.3
157.02940	1.2
161.02377	0.5
163.00389	0.3
163.04039	0.5
165.07137	0.3
173.02422	3.6
178.99840	0.6
179.23082	0.4
185.02415	4.6
189.01906	1.0
199.00333	0.7
200.01045	0.6
201.01900	3.6
208.00105	0.3
216.00592	0.7
217.01373	1.6
226.99902	1.3
228.00642	0.9
229.01373	5.6
243.99979	0.7
245.00856	2.7
245.04558	0.7
257.00900	2.9
273.00629	0.5
273.04117	1.0
283.99591	4.6
299.99149	4.9
300.99875	100.0
302.00214	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	300.9987
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
54.41187	0.3
69.27731	2.7
69.28077	0.4
70.54104	0.3
79.42734	0.3
101.04003	0.4
117.03474	0.8
121.85899	0.3
129.03503	1.5
133.02956	0.6
141.03539	0.3
141.54004	0.3
145.02936	3.7
147.04550	0.6
157.02979	1.4
161.02438	0.7
163.04005	0.9
171.00957	0.3
173.02415	3.4
185.02423	4.6
187.00502	0.3
189.01933	1.4
199.00327	0.7
200.01143	1.2
201.01941	4.6
213.01860	0.3
216.00685	0.5
217.01385	1.2
226.99878	1.2
228.00566	1.4
229.01408	5.3
230.01744	0.5
245.00931	3.4
254.99278	0.6
257.00861	2.3
273.00443	0.4
283.99622	6.3
284.99850	0.6
299.99106	5.3
300.99869	100.0
302.00192	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	300.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62453	0.2
63.02379	0.5
65.00310	0.5
66.82410	0.3
67.20267	0.3
69.41711	0.5
69.42113	1.5
84.19312	0.3
98.20629	0.4
107.01378	0.9
109.02922	2.1
117.03463	0.8
117.45592	0.3
121.02943	0.7
128.04866	0.3
129.03441	0.8
133.02954	0.6
141.03432	0.3
145.02945	3.2
147.04489	0.9
151.00320	1.5
157.02980	1.6
161.02451	0.7
163.03943	1.4
170.34311	0.3
171.01001	0.3
172.01590	0.4
173.02411	3.5
178.99814	0.3
185.02449	4.7
189.01894	1.2
195.04622	0.4
199.00349	0.6
200.01176	1.2
201.01927	3.8
211.04062	0.4
213.01956	0.5
216.00548	0.5
217.01457	0.7
226.99847	1.0
228.00549	1.0
229.01387	5.7
240.00786	0.3
244.00114	0.4
245.00862	2.6
254.99335	0.7
256.03394	0.5
257.00989	2.1
257.04526	6.4
271.99820	0.3
272.02808	0.8
273.00253	0.4
283.99652	5.5
299.99106	4.8
300.99884	100.0
302.00211	5.3
322.68219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9988
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
85.43479	0.3
101.03957	0.3
117.03453	1.2
121.81793	0.3
129.03470	1.2
133.02927	0.4
145.02968	3.3
147.04489	0.8
151.00381	0.5
155.16324	0.3
157.02945	2.1
161.02420	0.8
163.04005	1.1
171.00871	0.3
172.01668	0.4
173.02435	3.9
175.00334	0.3
175.04080	0.4
185.02431	5.7
189.01920	1.5
199.00327	0.8
200.01083	0.6
201.01920	4.7
213.01956	0.7
216.00635	0.4
217.01323	1.3
226.99841	1.2
228.00584	1.0
229.01436	6.2
244.00096	0.6
245.00937	2.5
254.99373	0.4
257.00909	3.0
273.00360	0.5
282.98785	0.5
283.96680	0.6
283.99615	6.2
286.71661	0.3
299.99109	4.9
300.99881	100.0
302.00214	5.6
324.61652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00332	0.5
57.55088	0.3
58.02995	0.3
59.01382	2.6
63.67926	0.2
63.96209	0.2
66.88194	0.3
68.01414	2.8
68.99805	0.2
69.69206	0.5
69.69623	1.1
71.01389	0.8
72.99287	0.3
80.46980	0.3
85.02910	0.3
87.00901	0.3
89.02446	0.4
95.01387	0.4
96.01709	0.3
96.04543	0.5
105.01968	0.3
109.02946	1.2
110.06129	0.7
121.02970	1.5
122.02470	0.9
122.03288	1.2
123.00861	0.5
123.03271	6.6
124.04064	0.3
124.07682	1.1
125.02472	0.4
129.01881	0.4
135.00854	1.0
136.01208	0.3
136.07689	0.6
137.04823	1.1
138.05609	100.0
139.05945	2.0
145.02968	0.6
148.07695	0.3
151.02672	0.3
152.07210	1.8
157.02942	0.4
160.01611	0.3
161.02394	0.4
163.00392	2.1
164.00777	1.0
166.08734	0.5
167.05856	2.0
168.00613	0.3
168.06653	0.5
172.01637	0.9
173.02361	0.6
177.04121	0.3
178.04376	0.7
180.06662	6.1
183.04118	0.4
184.04767	0.3
185.02451	1.2
188.01106	0.3
199.00381	0.5
200.01132	0.6
200.04488	0.3
201.01909	1.1
209.00914	0.7
210.07744	0.8
211.03857	0.3
212.04268	0.8
214.02229	0.4
216.00551	1.0
227.03275	0.5
228.00536	0.7
228.03835	2.8
229.01392	1.2
231.02824	0.3
232.03307	0.7
243.99985	1.1
245.00854	0.5
254.99416	0.4
255.02998	0.5
256.03278	2.8
257.00842	0.6
257.04379	0.5
271.02032	0.3
271.99283	1.2
272.02628	0.3
282.01077	0.5
282.98840	0.3
283.99597	1.0
299.99045	8.8
300.02393	4.3
300.10880	15.4
300.99887	20.3
301.03104	1.0
301.11221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2589
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
71.53220	0.4
71.53605	0.4
79.74904	0.4
123.31244	0.3
127.11257	1.8
155.14400	1.5
156.70476	0.3
169.15900	0.4
227.03566	0.4
242.99397	0.5
253.25389	2.2
270.98767	1.0
281.24750	2.0
297.24371	1.3
298.98410	1.1
299.01862	0.6
299.25888	100.0
299.99020	0.7
300.26233	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	299.0772
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
53.37788	0.8
59.01105	1.1
59.01377	11.4
66.59223	0.8
69.56700	3.9
69.57108	1.9
71.01375	1.8
71.34521	0.8
75.00866	6.0
80.74640	0.8
85.02942	0.9
87.00877	1.4
89.02447	1.1
93.03454	33.8
98.19865	1.0
117.01940	2.2
119.05038	6.2
121.02954	100.0
122.03303	2.1
135.02998	21.7
137.02441	56.2
138.02747	1.8
163.03958	1.4
181.05060	61.5
182.05388	2.7
186.43178	0.7
227.27144	0.8
299.07724	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	299.0771
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
50.48447	0.5
68.64867	0.4
70.99627	1.1
70.99966	0.6
71.01378	2.0
73.02937	0.6
74.19732	0.5
83.01423	0.5
85.02934	1.0
93.03459	63.2
94.03796	1.2
95.01374	0.6
101.02453	0.8
110.41818	0.4
119.02655	0.5
135.00882	0.8
137.02443	100.0
138.02805	2.7
138.05627	2.1
161.04488	0.6
163.00346	1.4
176.36713	0.6
199.03952	0.6
203.03299	0.6
211.03996	0.7
227.03551	2.7
231.03192	0.6
250.75169	0.5
255.03062	2.3
299.01947	2.3
299.07858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70103	0.7
57.03446	6.5
59.01381	8.2
69.03431	0.8
69.35346	4.1
69.35770	2.5
71.01382	13.4
72.99329	2.6
75.00870	16.5
83.01402	0.8
85.02946	11.0
87.00871	11.6
89.02452	3.0
92.77161	0.8
95.01405	2.6
97.02950	0.9
97.56692	0.7
99.00880	5.5
101.02451	1.4
115.03992	1.0
118.00629	1.1
120.54322	0.8
120.67344	0.7
121.02953	72.8
122.03300	1.9
129.01936	10.9
132.24387	0.7
134.00151	1.1
135.00899	4.0
135.04507	2.0
141.01933	0.7
159.02986	2.6
163.00368	7.6
171.04489	1.3
177.04039	100.0
178.04370	1.7
183.04465	1.8
185.02274	0.9
187.04027	1.7
199.03918	2.2
203.03435	2.7
211.03964	3.4
213.01910	1.6
227.03500	11.6
229.01524	0.8
231.02937	3.8
243.02921	1.6
255.03014	10.3
271.02408	3.1
281.00943	1.3
299.02090	14.2
299.07672	27.3
300.08054	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	298.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07148	0.3
53.86337	0.2
57.03434	0.7
59.01365	0.6
78.97747	0.2
80.02952	0.3
88.04041	100.0
89.03826	0.2
89.04377	1.1
90.32761	0.2
111.08150	0.9
118.97480	0.2
139.11292	0.3
165.12842	14.0
166.13202	0.5
169.08669	0.4
181.12302	0.4
199.03926	0.3
208.07309	0.3
209.11807	0.8
215.03615	0.4
227.03481	0.4
227.13010	0.3
229.10606	0.3
232.59204	0.3
236.16566	0.6
242.99194	0.6
255.03011	0.6
270.98874	0.7
271.02487	2.0
298.16592	23.5
298.98581	0.6
299.01920	2.3
299.05380	0.6
299.16623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0197
Annotation	9,10-Dihydro-4,5,7-trihydroxy-9,10-dioxo-2-anthroic acid
Peak:m/z	Relative Intensity
57.03443	1.2
59.01382	2.4
63.02399	3.2
65.00315	2.7
66.98889	1.3
67.01910	1.4
68.99813	1.5
71.01376	3.4
71.51568	1.8
72.99287	2.2
74.99086	3.2
75.00865	4.5
75.46325	1.1
81.03407	1.1
81.62936	1.1
83.01378	1.4
85.02949	4.3
89.02442	2.0
91.01907	2.8
93.03449	21.0
95.01395	16.4
107.01350	2.9
109.02931	2.5
118.00591	4.5
119.01389	2.1
121.02946	15.1
123.03230	1.4
125.02446	3.5
129.01924	2.9
133.02959	1.5
133.04706	1.4
134.00116	7.9
135.00887	32.5
135.02983	2.9
137.02443	29.9
138.05589	7.5
143.05006	4.0
147.04553	1.6
155.05023	4.5
157.02939	1.2
159.04477	6.4
161.02428	4.5
163.00368	65.4
163.04051	1.9
164.00934	2.1
169.02899	1.2
171.04482	9.4
173.06056	2.0
175.04021	7.2
177.04007	4.1
179.03482	2.2
181.01468	1.8
182.03734	7.5
183.04472	16.4
184.04984	1.4
185.02440	8.8
187.03995	18.1
189.01974	2.1
189.99040	6.4
198.03186	4.1
199.03983	18.5
201.01958	2.0
203.03488	15.3
210.03171	5.2
211.03992	26.0
213.01895	15.5
214.99825	2.3
215.03383	2.0
226.02774	6.7
227.03490	100.0
228.03821	4.2
229.01395	6.9
231.02983	24.1
242.99245	1.8
243.02928	8.6
253.01373	2.6
255.02979	86.5
256.03287	3.8
257.00824	2.0
270.98859	3.9
271.02454	25.2
281.01010	9.0
282.01465	2.2
298.98389	5.2
299.01935	100.0
299.07574	4.1
299.99387	1.5
300.02350	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	298.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71908	0.4
59.01384	0.5
68.03014	0.3
69.03506	0.3
70.49187	0.3
71.53599	0.3
81.79753	0.2
88.04040	100.0
89.02465	0.3
89.04373	1.2
93.03358	0.3
121.02994	0.4
137.02492	0.3
143.07144	0.3
151.00356	0.4
161.54248	0.3
165.12848	2.0
181.81743	0.3
192.17583	1.7
199.04085	0.3
208.17082	0.4
209.11679	0.4
215.03583	0.4
227.03450	0.4
236.16556	17.7
237.16873	1.1
254.17593	5.4
270.98877	1.1
271.02490	2.0
280.15518	13.4
281.15762	0.7
292.99368	0.3
298.16595	29.1
298.98557	0.6
299.01950	5.3
299.08664	0.4
299.16635	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	297.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
61.18915	0.2
65.41705	0.3
65.86294	0.3
69.28577	1.5
69.28999	0.8
71.01377	0.7
72.58816	0.3
74.84589	0.2
75.00863	0.3
78.49314	0.3
79.95711	1.4
80.69251	0.3
89.02440	1.0
98.20647	0.6
101.02470	0.5
105.81517	0.2
119.03480	0.4
119.05037	1.3
132.77353	0.3
135.03001	0.3
135.04410	0.3
135.06532	0.3
137.98190	0.3
149.18497	0.2
161.04559	0.3
170.00427	1.4
183.01196	62.0
184.01762	2.6
197.02739	1.6
198.03519	0.3
211.04518	0.4
215.94539	0.3
216.00926	1.3
225.05882	0.8
230.02545	0.7
239.07407	0.6
268.47089	0.3
297.15274	100.0
298.15631	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	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
54.95201	0.2
57.03448	0.6
57.06531	0.2
59.01373	1.6
69.38011	1.0
69.38446	0.8
71.01376	0.7
89.02452	0.3
98.20691	0.4
99.75205	0.2
100.74893	0.2
101.02431	0.3
103.05177	0.2
113.02437	0.4
119.05041	0.3
125.09715	1.6
127.11247	0.3
135.03050	0.6
141.12857	1.2
149.00951	0.6
153.12819	0.6
155.10764	0.6
169.15938	0.4
170.00421	0.3
171.10254	1.0
181.16020	0.5
183.01207	7.2
184.01837	0.8
216.00977	0.4
253.25386	2.6
264.98358	0.3
279.23242	1.9
295.22809	0.3
297.04828	1.2
297.15323	14.6
297.24338	100.0
298.15631	0.8
298.24698	7.3
316.87265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
60.34198	0.5
64.07697	0.5
65.87090	0.5
69.03472	0.4
69.86199	1.0
69.86588	1.1
71.01369	1.7
72.99310	2.7
75.00874	25.6
77.45971	0.4
80.50534	0.5
82.50291	0.5
87.00903	0.5
88.37096	0.4
89.02441	5.4
101.02442	0.6
116.08475	0.4
117.01964	2.0
123.27273	0.5
133.02940	1.3
134.03761	0.8
135.03000	100.0
135.04480	9.6
136.03308	1.4
152.26315	0.5
161.02411	3.8
179.03503	5.3
179.05452	0.8
289.64890	0.5
297.06165	1.0
297.13193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25352	0.5
59.01380	3.9
60.90414	0.5
63.08350	0.6
70.93336	1.1
71.01369	1.6
72.99303	1.7
75.00869	25.9
87.00880	0.6
89.02442	4.8
99.00858	0.5
117.01929	2.2
131.39981	0.5
133.02937	1.4
135.02994	100.0
135.04453	6.2
136.03340	1.1
161.02428	3.5
161.04535	0.6
179.03493	4.3
189.49637	0.4
193.74789	0.5
297.05847	0.7
299.78281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.0
60.90380	0.3
68.70583	0.4
69.73946	0.9
69.74342	1.2
71.01388	1.4
72.99293	2.9
75.00871	27.7
75.20599	0.4
75.70422	0.3
89.02441	5.4
90.11969	0.3
117.01920	1.8
133.02960	1.5
134.03786	0.8
135.02997	100.0
135.04445	5.3
136.03326	1.1
161.02446	3.5
179.03439	3.6
287.29510	0.4
305.44150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70934	0.3
59.01376	3.5
66.69748	0.4
70.03156	1.3
71.01391	1.0
72.99295	2.4
75.00871	26.9
86.04990	0.3
87.00890	0.4
89.02443	5.3
99.17645	0.3
105.94753	0.3
107.05009	0.3
117.01936	2.2
133.02974	1.1
134.03737	1.0
135.02995	100.0
135.04463	7.7
136.03305	1.7
161.02437	4.1
179.03500	5.2
252.44415	0.3
280.83371	0.3
297.06262	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.30919	0.7
57.03445	1.6
59.01164	0.6
59.01382	7.5
63.91645	0.7
71.01370	2.7
83.05000	1.1
85.02979	1.0
89.02429	1.6
91.01881	2.6
93.03432	1.3
101.02429	2.0
125.09703	1.3
133.05086	1.5
135.00906	3.9
137.09666	0.8
139.11253	1.0
141.12877	0.8
155.10678	0.8
155.14342	2.0
157.94162	0.8
161.04482	1.3
163.00340	2.0
171.10258	33.3
172.10556	1.2
178.99916	1.1
183.10208	1.7
195.13867	2.7
206.99344	1.4
235.08177	1.1
244.38931	0.8
250.98228	0.9
277.21689	42.4
278.22000	2.8
294.97522	1.1
295.10089	2.8
295.22769	100.0
296.23065	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
59.01381	3.9
65.32421	0.4
71.01373	0.7
72.93900	0.4
78.79401	0.4
83.05019	0.5
83.55592	0.4
99.08140	0.6
113.09720	1.9
127.08152	0.4
133.04991	0.4
135.00853	0.5
163.00327	0.4
171.10278	0.8
177.12845	0.7
179.14339	1.0
181.12320	0.6
195.13884	19.3
196.14249	0.4
207.02887	0.5
270.86160	0.4
277.18530	0.8
277.21692	17.3
278.21976	1.0
295.22757	100.0
296.23087	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	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54554	0.7
57.03446	0.9
59.01368	2.6
66.16853	0.7
70.98885	1.5
71.01395	0.7
75.60084	0.7
85.04344	0.7
99.08096	0.7
111.70502	0.7
118.03174	0.7
118.94653	0.7
125.09707	1.3
139.67291	0.6
144.68643	0.6
146.76137	0.7
151.11331	1.0
171.10260	36.2
172.10548	1.0
183.10234	2.8
195.13908	0.8
196.23053	0.7
257.78510	0.7
277.21719	45.5
278.22018	2.6
295.22769	100.0
296.23074	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17306	0.7
55.01865	0.9
55.33173	0.6
57.03437	1.1
58.00586	1.7
59.01379	60.1
60.01693	0.9
64.59191	0.6
70.10699	0.6
71.01383	30.1
71.05013	1.0
72.28373	0.6
72.99311	2.1
73.02946	2.4
75.00874	14.3
77.02509	0.6
83.01382	2.0
85.02950	7.3
87.00874	2.1
87.04508	1.2
89.02447	33.6
95.01393	2.5
99.00880	0.9
101.02445	17.2
113.02454	11.3
115.00420	1.9
115.04015	7.2
117.01934	1.0
119.03505	16.0
124.26728	0.8
131.03502	1.4
133.05072	9.7
139.08757	0.7
143.03511	1.2
149.04582	0.8
161.04517	1.4
179.05606	1.9
195.05057	2.5
237.06169	9.1
251.07764	1.8
295.10342	100.0
296.10559	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29835	0.8
55.01872	1.2
57.03446	2.0
58.00587	3.3
59.01381	86.3
71.01381	44.5
71.50089	1.5
72.99297	3.3
73.02943	3.4
75.00862	1.7
83.01380	3.1
85.02951	11.6
86.91685	0.7
87.00871	2.2
89.02444	50.7
95.01379	3.8
99.00885	1.0
101.02442	31.7
113.02450	16.7
115.04026	2.0
117.05562	1.8
119.03510	21.8
119.04944	0.8
123.00916	1.2
131.03484	1.5
133.02940	1.0
133.05064	3.1
133.08766	0.9
143.03467	1.9
144.90727	0.8
149.04492	1.3
161.04572	4.2
163.03963	0.9
177.02095	1.1
177.04031	2.2
179.05576	2.8
219.03040	1.0
260.26605	0.9
295.10345	100.0
296.10754	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52514	0.3
55.01876	0.9
55.38297	0.2
57.03433	1.6
58.00596	1.6
59.01380	46.5
60.01701	0.3
69.03461	0.7
71.01382	26.0
71.05024	1.4
71.50932	0.5
72.01729	0.5
72.99312	2.6
73.02943	2.7
75.00872	16.9
83.01389	2.2
85.02954	9.0
87.00886	1.1
87.04513	4.2
89.02447	29.9
90.02792	0.3
95.01390	2.3
96.00877	0.3
97.02956	0.7
99.00891	1.3
101.02443	17.8
102.02773	0.4
113.02451	10.3
115.00376	1.2
115.03198	0.6
115.04012	11.5
117.01946	1.3
117.05566	0.4
119.03501	12.4
120.99634	0.9
129.01956	0.5
131.03600	1.3
131.04387	0.3
133.05072	24.6
143.03481	1.3
149.04605	0.6
153.29247	0.3
161.04541	1.9
163.03995	0.4
175.06126	0.4
177.03987	0.3
179.05583	1.7
195.05103	1.7
232.50772	0.3
237.06148	8.7
238.18700	0.3
251.07750	0.8
263.69791	0.3
295.10327	100.0
296.10681	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	295.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.9
57.03431	1.5
58.00576	1.4
59.01378	30.3
69.03446	1.5
69.28958	0.9
71.01382	8.2
71.51789	1.4
72.99268	1.0
73.02918	1.4
80.96501	4.9
83.01373	1.1
85.02953	0.9
87.04525	4.5
89.02421	3.2
93.03429	1.7
96.96010	1.0
97.06508	0.9
98.29739	1.0
101.02441	4.3
105.03442	2.8
110.02444	2.6
111.00924	0.9
113.02420	1.4
115.03979	0.9
117.03425	1.0
119.03452	1.0
119.05003	2.4
121.02951	3.6
123.04512	1.1
132.02171	21.3
133.02959	27.3
133.05064	30.4
134.03737	56.4
135.04530	9.8
136.01636	3.4
137.02440	2.5
138.05579	2.2
139.03964	1.0
145.02924	1.4
147.04521	18.4
148.05315	8.7
149.02412	1.5
149.04919	1.3
149.06067	22.9
151.03955	3.2
153.05534	1.9
157.01410	1.2
160.01653	100.0
161.02440	23.8
161.06046	4.1
163.03938	3.3
163.07603	2.0
164.04761	2.2
169.12332	1.0
173.04539	1.6
174.03166	2.5
175.03992	95.3
176.04762	39.2
177.01944	9.8
177.05301	2.3
178.02695	9.0
179.03477	3.4
189.12869	0.9
190.02689	0.9
191.07126	58.9
192.04230	4.0
192.07434	2.7
193.05048	53.5
194.05362	2.0
202.02692	2.8
205.04967	1.2
207.06592	7.4
208.03760	1.1
208.09758	1.5
217.05081	6.3
220.03780	9.3
221.04512	1.0
223.06113	3.0
235.06100	81.8
236.06366	3.0
251.09019	1.1
251.12787	1.1
277.07498	0.9
280.05792	2.7
295.08188	33.5
296.08328	1.9
314.66708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.6
59.01377	3.1
60.87394	0.7
65.00318	0.7
68.99847	0.8
71.01370	1.0
85.02945	0.9
91.81367	0.6
92.99793	0.7
95.01420	0.9
96.95993	1.2
97.06590	1.1
101.02480	0.7
109.06595	0.9
113.09721	21.6
121.10206	3.0
123.08169	0.7
136.08900	0.8
139.11285	2.3
139.25089	0.7
167.10745	2.7
171.10269	6.9
177.12767	0.7
179.10707	1.9
185.11842	0.7
193.15875	1.8
195.13887	3.8
217.63454	0.7
220.14639	1.3
221.15407	4.4
229.58133	0.8
236.10516	3.0
249.22205	2.4
275.20163	8.5
276.20349	0.9
293.08932	3.8
293.21210	100.0
294.21533	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.5
58.24481	0.3
58.25888	0.4
58.45861	0.3
59.01374	0.4
62.30307	0.3
68.84657	0.3
68.99804	0.5
69.99329	1.9
71.01366	0.9
76.31957	0.4
96.95986	0.6
97.06597	1.2
104.19420	0.4
121.10263	0.4
123.08157	0.8
125.09737	4.6
134.78366	0.4
141.12830	1.1
149.09695	2.2
161.02345	0.4
167.14345	0.4
176.98123	0.4
185.11800	9.6
192.11447	0.8
193.15964	1.1
197.11829	2.2
200.86305	0.4
213.43930	0.4
220.14651	1.3
221.15405	2.3
236.10548	1.8
249.22130	0.9
275.20135	0.9
284.80389	0.4
293.21210	100.0
294.21527	8.2
295.85129	0.4
307.69696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01357	3.3
69.99376	8.0
71.01379	3.2
85.61391	1.8
93.07088	1.6
121.10238	57.7
122.09653	1.7
122.10550	2.6
125.09723	2.5
171.10278	94.4
177.16312	2.3
185.11798	6.8
197.11743	1.8
221.15454	3.1
224.73625	1.8
231.21114	5.2
275.20135	100.0
276.20407	8.6
293.21222	74.2
294.14221	2.0
294.21515	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.64556	0.7
56.43378	0.8
59.01382	1.4
62.83155	0.7
64.49570	0.8
64.68207	0.7
67.26860	0.7
67.61786	0.7
69.28580	6.1
92.19258	0.8
98.20589	1.6
111.08074	0.8
125.72290	0.7
133.06854	0.8
139.49907	0.8
179.14375	0.9
195.13889	14.1
196.14647	1.4
205.12273	1.0
221.15448	1.2
223.13399	11.9
228.13611	1.2
256.13077	5.5
265.21716	1.0
275.20175	10.3
293.21231	100.0
294.21573	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79486	0.6
57.03450	8.0
59.01383	6.0
61.98812	0.8
68.99813	1.2
69.01429	0.6
69.03455	1.0
71.01382	6.0
79.95725	0.9
85.02943	2.0
85.06575	1.0
87.00874	1.3
89.02407	1.6
94.77308	0.7
95.01352	1.5
96.95987	0.8
97.06611	1.2
98.19761	1.2
101.02431	1.1
108.26746	0.7
109.06570	1.1
112.98647	0.8
113.09731	20.7
126.56313	0.8
131.03511	1.1
137.89330	0.6
139.11301	1.7
148.98759	1.0
149.09706	0.9
161.04552	2.5
164.08366	1.2
167.10799	3.1
172.47496	0.7
176.98257	1.0
177.09177	0.8
177.12874	0.9
179.10779	2.3
192.11523	1.8
193.15929	1.2
195.13901	3.5
202.99893	1.2
205.12308	2.0
220.14680	12.1
221.15459	24.0
222.15814	1.3
235.13304	1.1
236.10527	16.1
237.10994	1.0
249.22278	2.6
264.96320	1.4
293.08920	4.2
293.14075	3.0
293.17654	5.4
293.21198	100.0
294.21484	5.6
308.12207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.9
57.03434	1.1
58.00586	1.6
58.75956	0.7
59.01377	45.4
59.05249	0.7
60.66218	0.7
69.36198	1.3
69.36610	3.6
71.01382	22.3
72.99304	1.8
73.02955	1.7
83.01385	1.5
85.02953	7.9
85.06585	17.4
87.00871	1.4
89.02440	24.5
95.01368	1.4
101.02440	16.1
107.47692	0.6
113.02456	7.2
113.06094	3.5
115.07646	2.2
119.03496	9.5
127.07661	1.5
131.07138	70.1
132.07480	1.4
145.02968	1.2
147.02959	1.1
147.04504	0.6
173.08131	2.1
193.04008	0.7
247.02458	1.2
249.03023	4.4
293.12408	100.0
294.12845	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	293.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87332	0.3
55.60047	0.3
71.01384	7.8
71.29824	0.7
96.74352	0.3
97.54800	0.3
100.66430	0.3
101.64264	0.3
118.71042	0.3
127.07637	0.8
132.47461	0.3
148.05321	1.5
151.07777	0.3
164.08392	1.5
175.70944	0.4
177.09201	5.1
190.09933	0.3
192.11554	7.7
205.12325	7.1
206.12679	0.5
207.13930	0.9
212.20375	0.3
217.08594	0.4
218.09464	2.5
220.14671	49.0
221.15450	100.0
222.15775	5.1
235.13358	1.3
236.10521	71.9
237.10925	3.9
293.17587	7.3
294.17706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0879
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.40070	2.2
55.58868	2.2
57.03457	6.3
58.00595	4.7
59.01380	90.1
62.10807	2.2
62.12273	2.8
68.99815	3.7
69.03458	9.5
70.81931	3.2
70.82286	7.1
71.01382	99.2
72.99308	6.1
73.02946	37.2
81.03461	7.8
83.01414	4.1
85.02955	25.2
87.00876	4.3
89.02448	100.0
93.03425	3.0
95.01405	11.2
96.96005	3.6
97.02950	19.1
99.00885	40.4
99.04540	2.6
101.02451	39.3
111.00836	2.7
113.02435	6.9
114.35825	2.7
115.04015	13.0
121.22107	2.5
125.02447	41.3
129.09242	6.3
129.75116	2.6
131.03482	9.8
133.02917	4.2
133.06656	2.9
134.03748	12.4
135.04507	5.2
143.03458	6.3
148.98763	4.4
149.04591	8.0
150.02510	3.2
161.04572	6.4
176.98302	4.0
177.01967	4.0
178.02725	4.3
191.05635	11.3
205.01428	3.5
218.93080	2.8
233.06665	18.2
264.96280	3.3
293.08948	9.3
293.17349	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	292.1918
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
57.70320	0.5
59.01371	1.3
60.27141	0.6
68.09806	0.6
71.01376	2.1
71.53536	0.9
86.43344	0.6
89.02473	0.6
101.02416	0.7
111.08111	0.6
121.03003	0.6
156.13930	100.0
157.14259	3.5
161.04561	0.5
176.98218	0.9
192.03807	0.8
200.12868	4.6
220.14603	4.9
221.15446	7.5
236.10530	6.0
240.53360	0.6
248.02847	4.6
248.99626	0.5
292.19913	5.9
293.08759	1.5
293.17694	1.6
293.21008	0.8
301.07455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
58.64302	0.3
59.01368	1.3
66.30812	0.3
70.85950	0.9
81.03451	0.4
83.05021	0.6
91.01846	0.4
93.03462	0.4
93.07100	0.7
95.05021	0.6
97.06577	1.9
111.08158	4.8
113.09740	0.4
119.01359	0.6
119.05004	0.7
121.09364	0.6
121.10233	9.7
122.10572	0.4
123.08162	1.3
125.09721	6.1
141.12842	0.8
145.02951	0.8
147.00903	1.0
147.04530	1.2
147.08113	0.4
154.42313	0.4
163.04008	0.7
163.11218	0.5
163.14725	0.4
165.12784	0.5
175.00287	0.5
175.03944	2.8
177.12811	0.5
179.10709	0.8
185.11827	10.5
190.02713	0.6
191.03523	2.5
193.15991	0.6
195.13892	2.6
197.11890	2.4
202.99834	0.5
203.03484	0.9
209.11844	1.2
211.13391	1.5
219.02908	0.7
223.13284	0.5
246.98708	0.9
247.02452	18.3
247.13339	0.6
247.20525	1.8
248.02840	0.6
273.18576	1.6
290.98193	0.8
291.01431	2.5
291.19644	100.0
292.19940	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
61.98841	0.5
69.35938	2.8
73.02945	61.8
91.01906	0.6
119.05064	0.4
135.78360	0.4
147.00885	1.0
147.04506	0.7
163.04045	0.7
173.02415	0.4
175.00356	0.8
175.04002	1.1
191.03549	1.9
202.99911	0.6
203.03450	1.0
219.02971	0.9
246.98888	0.9
247.02454	12.9
248.02713	0.7
290.98346	0.7
291.01474	1.7
291.19644	100.0
292.19958	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70605	0.4
56.66848	0.4
59.01363	0.5
69.35907	1.6
69.36330	1.8
73.02905	0.4
80.02681	0.7
82.22153	0.4
98.19914	0.9
111.32819	0.4
119.05019	0.9
121.02950	0.7
125.06125	0.6
131.51309	0.4
138.93733	0.4
147.04494	0.5
148.08878	1.3
150.10510	1.2
151.11266	0.5
157.26596	0.4
163.11272	0.9
165.12842	22.1
166.13121	0.7
175.03999	1.8
175.11263	0.5
176.12067	0.5
177.12840	1.0
191.03500	2.2
191.14406	1.0
202.99834	1.0
203.03493	1.1
217.15958	0.7
219.02980	0.9
246.98700	1.0
247.02437	15.4
247.20633	12.2
248.02812	0.8
248.21066	0.8
273.18576	6.4
274.18903	0.5
291.01282	1.9
291.19644	100.0
292.19992	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	291.1966
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
57.03439	1.6
67.64362	0.4
69.03443	0.4
75.97293	0.3
77.02620	0.4
83.05038	0.5
83.92807	0.3
93.07104	1.8
95.05032	0.5
96.02962	0.4
97.06589	1.7
121.10242	14.5
123.08163	1.6
125.09725	7.4
138.94833	0.4
139.11263	0.5
141.12846	1.3
147.00935	0.6
147.08162	0.9
163.04063	0.4
163.11343	0.6
165.12859	0.5
171.10312	0.5
175.03990	0.6
185.11821	16.0
186.12161	1.0
191.03510	0.8
197.11850	3.6
203.03426	0.6
209.11818	1.6
211.13358	2.2
223.13263	0.8
229.05406	0.6
246.98709	0.7
247.02454	6.1
247.20750	1.0
266.47891	0.5
273.18637	1.7
289.17957	0.5
291.01404	0.8
291.19656	100.0
292.01752	0.5
292.19989	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	291.1966
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
56.21239	0.8
57.03436	1.9
57.73584	0.8
59.01360	2.0
67.58086	0.7
69.24001	7.7
71.05017	7.0
83.04992	0.9
89.59068	0.8
91.01902	1.1
93.07086	1.6
97.06588	3.0
116.26526	0.8
119.01337	1.0
119.05015	1.4
119.08648	3.2
121.02870	0.8
121.10220	10.2
125.09743	4.5
135.04453	1.1
140.69400	0.8
145.02867	1.9
147.00867	2.5
147.04504	3.0
155.71892	0.8
168.86159	0.8
171.10245	2.9
173.02385	1.8
174.54074	0.7
175.00345	1.8
175.04018	5.3
176.98363	0.9
184.73683	0.9
185.11815	13.2
190.02809	0.9
191.03506	5.9
195.19189	0.8
197.11821	3.1
202.99771	3.4
203.03423	2.9
209.11894	1.1
211.13451	1.8
218.99275	2.2
219.02975	2.8
219.13940	1.1
223.13478	0.8
229.19675	1.5
231.12132	1.9
235.16937	1.1
246.98755	2.6
247.02463	42.6
247.17018	1.5
247.20674	2.3
248.02798	2.2
257.20035	0.8
273.18582	3.4
290.98325	1.4
291.01477	4.0
291.19644	100.0
292.19962	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	291.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04100	0.7
51.70745	0.8
55.08352	0.8
56.20624	0.9
57.03455	5.8
59.01381	11.0
68.99799	2.2
71.01380	14.6
72.99303	4.6
73.02922	1.2
75.00870	29.4
83.01355	1.7
85.02954	12.7
86.27357	0.9
87.00881	11.8
89.02446	2.9
95.05010	1.1
98.09035	1.0
98.78789	0.8
99.00875	6.1
101.02419	2.3
105.03468	1.9
109.34231	0.8
111.00855	1.3
111.08157	6.1
113.06084	9.3
117.03503	1.0
119.05027	23.5
121.02963	1.1
127.07661	1.8
129.01935	17.2
133.02995	2.0
135.04530	3.7
141.01968	1.5
145.02925	4.2
147.04533	6.5
159.02977	6.5
159.04385	1.8
161.02441	4.8
163.04001	17.9
173.02420	3.1
173.08167	7.6
175.03998	12.3
177.04039	83.3
178.04356	2.0
190.02724	3.1
191.03500	13.0
195.05092	26.0
203.03493	6.7
205.01335	1.0
219.02966	7.1
221.04478	1.9
247.02464	100.0
248.02762	5.2
279.71390	0.9
291.01505	14.3
291.10889	34.9
291.18066	1.2
292.04269	2.4
292.11127	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	291.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63582	0.4
56.17971	0.3
65.81908	0.4
67.62805	0.4
75.45139	0.4
80.40823	0.4
91.05507	0.9
103.05511	0.5
105.03462	3.8
107.05006	0.4
115.05524	0.6
117.03421	0.7
119.05030	3.9
121.02922	0.6
130.04268	0.4
131.04976	1.4
133.02901	0.7
135.04515	1.3
137.51666	0.4
145.02921	3.2
147.04518	9.0
149.02371	0.5
158.03712	1.5
159.04497	2.8
160.01602	0.5
161.02480	0.5
163.03998	3.0
173.02400	3.6
174.03181	1.1
175.03992	30.4
176.04330	1.2
177.05563	1.6
190.02718	2.7
191.03496	12.2
199.57536	0.4
201.01894	0.6
203.03490	18.8
204.03876	0.8
205.54628	0.4
217.01433	0.5
218.02190	0.5
219.03004	5.2
221.04541	3.6
229.01396	0.8
246.01657	0.5
247.02452	100.0
248.02788	4.1
288.76828	0.4
291.01462	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	289.1081
Annotation	trans-Resorcylide
Peak:m/z	Relative Intensity
52.81675	0.7
54.34512	0.8
57.44503	0.7
59.74887	0.8
65.10448	0.7
77.13586	1.0
93.03431	0.9
100.85219	0.7
109.02935	3.0
119.05015	1.4
122.03728	1.1
125.02403	1.0
137.02403	1.1
145.02960	1.5
146.03738	1.8
147.04538	10.0
148.05272	2.1
152.04720	1.3
159.04555	2.3
161.02380	1.1
172.05287	5.7
173.06073	7.0
174.03177	1.2
174.06870	1.9
177.02058	0.8
182.97372	0.9
185.06049	1.3
187.04024	2.5
187.07646	13.1
188.98300	0.9
189.01991	0.9
191.03477	2.5
192.04248	1.4
197.06032	2.3
199.27208	0.9
200.04832	2.4
201.05711	1.3
201.07390	1.4
201.09195	15.7
202.09789	1.5
206.05846	9.1
207.92455	0.8
211.07678	0.8
213.09172	6.7
214.06647	0.9
215.07234	1.7
216.97740	1.0
217.05046	3.4
229.08679	10.2
230.09393	3.2
231.06660	4.8
232.07405	10.7
233.08083	1.0
238.04849	3.9
245.00803	1.0
245.08214	5.5
245.11736	2.5
249.39566	1.0
261.00284	1.0
261.11288	70.6
262.11655	4.0
288.96512	1.8
288.99982	2.3
289.10797	100.0
289.17734	2.2
290.11200	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0717
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
56.26449	0.6
57.03452	3.3
62.29483	0.6
69.03455	1.0
70.31107	0.7
70.31439	2.1
73.55364	0.6
80.02682	0.9
81.03448	3.8
83.01391	4.2
86.84869	0.7
86.85362	0.7
93.03457	2.6
95.01396	1.0
95.05025	4.5
97.02943	9.4
108.02164	1.7
108.37193	0.6
109.02951	40.0
110.03288	0.8
113.07085	0.7
121.02930	4.9
122.03722	1.7
123.04523	26.8
125.02442	25.0
135.04497	2.7
137.02449	13.4
138.03197	0.9
139.04034	5.3
145.02927	1.7
146.03752	1.6
147.04553	0.9
149.02425	6.6
150.03197	1.9
151.04002	14.8
159.04535	3.5
160.05255	1.8
161.02396	0.9
161.06087	6.6
162.03212	2.2
163.03958	1.2
164.01106	3.8
165.01906	6.1
166.02672	1.4
167.03491	2.8
173.06136	1.7
175.04024	3.2
175.07617	2.2
178.12418	0.6
179.03516	10.8
185.06055	1.1
187.04004	6.5
188.04752	5.4
199.07599	1.3
201.05537	1.3
201.09253	0.9
202.06371	3.5
203.07120	20.3
205.05037	13.3
211.04012	0.8
212.04832	1.4
221.08234	5.5
227.07124	2.5
231.02895	0.9
245.08168	35.8
246.08614	1.1
247.06142	1.7
271.06107	2.5
289.07169	100.0
290.07489	5.5
302.09097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.61280	0.7
59.01346	0.9
81.03429	1.0
106.82999	0.6
108.04554	2.6
109.02916	3.5
121.02950	0.8
134.02481	40.6
135.03287	6.5
136.04044	34.1
137.02426	2.0
137.04384	1.3
148.04073	0.7
149.04822	1.2
176.03555	4.5
287.98624	1.0
288.16046	100.0
289.16302	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03443	6.7
59.01360	3.4
69.64256	4.7
71.01372	1.2
75.00848	2.3
80.02679	1.2
81.03440	3.9
83.01373	5.9
93.03430	3.4
94.30331	1.0
95.01373	2.6
95.05022	8.3
95.83250	1.0
97.02950	14.2
101.88152	1.1
105.03413	1.3
108.02152	2.0
109.02950	54.4
109.06578	2.1
110.03287	1.5
120.02138	0.8
121.02989	5.3
122.03711	2.8
123.04527	35.7
124.04815	1.0
125.01524	1.9
125.02444	32.7
126.02760	1.2
127.07653	52.6
128.07956	1.1
133.02986	1.0
135.02991	10.6
135.04510	5.5
137.01471	1.4
137.02448	16.3
138.03227	1.4
139.04007	6.4
143.04967	1.1
145.02904	3.7
146.03726	3.1
147.04460	1.8
148.28601	1.1
149.02446	8.4
150.03224	2.2
151.04002	17.6
157.06575	1.2
158.03662	1.2
159.04500	7.1
160.05304	2.2
161.02411	3.4
161.06084	10.2
162.03194	3.9
163.04002	2.0
164.01167	5.8
165.01913	7.7
166.02644	1.4
167.03435	2.4
171.06619	18.6
173.06088	1.4
174.03177	1.5
175.03920	3.8
175.07593	3.9
179.03485	10.9
185.05984	2.0
187.03995	9.5
188.04800	5.6
189.01917	1.4
201.05547	1.7
202.06308	3.8
203.07123	20.1
205.01468	1.7
205.05057	14.6
217.08652	1.3
221.08228	6.8
227.07098	3.8
230.05713	1.7
231.03029	1.6
236.15793	1.0
243.80307	1.1
245.00774	1.7
245.08162	35.8
246.08542	1.2
247.06046	2.4
261.00345	2.0
271.06308	1.9
289.00333	6.1
289.07111	100.0
290.07495	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	287.2227
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
56.05579	0.2
57.03426	0.2
57.31852	0.2
59.01361	0.2
67.54890	0.2
69.27898	1.6
69.28306	0.5
80.62787	0.2
97.43970	0.2
98.20652	0.5
99.08150	1.7
107.45578	0.2
111.08126	0.2
113.09721	0.2
125.02457	0.3
129.09218	0.9
141.12865	2.0
151.04025	0.3
155.14346	0.5
214.99911	0.3
230.99377	0.3
241.21773	1.1
269.21191	3.4
285.20740	2.2
286.98407	1.2
287.01944	0.5
287.22269	100.0
288.22626	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	285.2071
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
57.03446	0.8
59.01390	1.0
61.55904	0.6
65.00330	0.7
71.23069	0.5
71.53304	0.6
71.53722	0.7
78.95918	0.7
80.97813	0.5
83.01424	0.7
84.99348	0.7
85.02941	1.0
93.03483	0.8
97.02982	0.7
108.02156	0.7
109.03001	0.9
123.04517	1.8
127.04038	0.8
150.31747	0.6
151.00401	1.6
156.97723	0.9
191.23495	0.5
201.09219	4.1
214.10048	0.9
221.19025	0.8
223.20667	68.6
224.21022	3.2
229.05247	0.6
241.21831	1.9
242.13339	0.8
254.21983	0.8
255.13954	1.1
267.19632	36.8
268.20099	2.1
269.15659	1.0
274.90829	0.7
285.00845	0.5
285.04105	23.0
285.13660	2.7
285.18619	100.0
285.20883	71.8
285.27243	1.8
286.04498	1.3
286.18973	6.2
286.21249	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
53.43452	0.4
59.01376	0.5
61.35070	0.3
63.62382	0.3
63.88881	0.3
70.02975	0.9
70.85583	0.4
70.85931	0.8
73.51125	0.4
74.06094	2.1
77.50674	0.4
82.23433	0.3
85.47150	0.4
118.05091	1.1
180.86615	0.4
204.85803	0.4
240.23305	2.8
242.21245	2.1
252.75684	0.4
253.16144	0.3
268.22723	1.0
286.04410	3.0
286.23846	100.0
286.98273	1.5
287.01526	0.5
287.21765	0.5
287.24292	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	287.056
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
53.23324	2.2
55.32665	1.8
57.03444	5.4
59.01376	4.5
62.52176	1.7
65.00308	2.6
65.09308	1.8
65.91145	1.9
67.01876	2.9
69.03450	3.9
71.01382	2.6
76.50642	1.7
77.03960	2.2
81.03421	3.1
83.01391	18.5
83.44327	2.0
93.03436	7.4
96.95977	2.4
97.02966	10.7
97.03510	1.9
107.01370	2.2
107.05062	4.2
108.02164	6.7
109.02948	37.4
111.00916	3.2
119.05061	2.8
121.02962	26.2
123.00874	6.2
123.04528	3.1
124.01648	15.6
125.02443	72.0
130.04204	2.6
133.02962	3.4
134.03706	2.7
135.04500	11.7
137.02438	74.6
139.04070	2.2
141.01961	5.6
145.02933	2.9
145.06563	4.3
147.04504	14.6
148.05319	3.1
149.02449	31.8
149.06070	6.1
150.03223	16.7
151.00366	2.4
151.04001	14.5
155.05013	3.3
157.06590	4.0
158.03691	4.4
159.04503	31.0
161.02448	18.4
161.06073	2.7
163.00223	3.1
163.03996	5.7
164.01126	12.2
165.01909	28.8
169.01372	3.2
171.04541	3.1
172.04048	2.0
172.05290	11.5
173.02437	2.3
173.06061	27.5
174.03194	8.6
175.04001	54.4
176.04678	5.5
177.01901	9.9
177.05519	13.3
182.03697	3.2
183.04439	9.9
185.06056	3.6
187.07628	3.5
189.05551	14.9
191.07152	9.0
197.06032	9.3
199.03998	7.0
200.04671	6.1
201.01819	3.4
201.05553	57.4
203.03523	16.9
213.05582	4.5
215.07159	16.9
217.05031	17.2
219.06592	21.4
225.05589	12.0
227.03505	5.1
241.04980	9.5
243.02948	5.4
243.06615	24.9
245.04611	9.4
258.05380	10.7
259.06076	71.4
269.04507	13.6
287.02814	8.3
287.05612	100.0
287.15021	3.6
287.53165	3.3
288.05972	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	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
56.08174	0.4
59.84237	0.4
66.68811	0.4
69.45856	1.6
69.46269	1.5
81.03487	0.9
108.02177	100.0
109.02979	14.3
121.02939	0.8
133.02951	0.7
151.04027	1.4
152.01155	62.5
153.01950	26.9
154.02200	1.0
163.03983	1.0
165.01872	0.9
235.86592	0.4
285.06168	55.7
286.06430	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
71.28117	0.6
76.64944	0.4
81.03456	0.8
81.78089	0.4
93.03452	0.6
101.09484	0.4
106.11621	0.4
107.04982	0.4
108.02174	100.0
109.02975	15.5
110.03322	0.4
112.42132	0.4
121.02982	0.8
121.81042	0.4
123.04540	0.9
133.02969	0.7
134.01965	0.4
135.00870	0.8
135.04550	0.7
143.08379	0.4
151.04033	1.3
152.01151	67.8
153.01938	28.7
154.02356	0.6
163.04016	1.8
165.01942	1.1
182.96613	0.4
185.65086	0.5
194.70477	0.4
252.03908	0.5
285.06152	61.0
286.06577	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	285.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	5.2
65.00324	2.8
69.20283	5.0
83.01376	3.7
91.01907	0.6
93.03462	4.4
95.01386	1.0
107.01385	7.6
108.02184	0.9
109.02929	1.5
117.03440	1.8
123.00841	0.9
123.04470	1.3
135.00890	1.0
137.02425	1.2
143.05025	2.3
145.02933	1.6
150.99185	0.9
151.00366	14.6
154.04240	0.6
155.05016	0.7
156.05721	0.7
157.06573	1.1
159.04506	2.4
161.02490	0.7
163.00389	2.6
164.01134	2.1
167.05045	1.2
169.01421	1.2
169.06590	1.8
171.04486	1.9
173.02373	0.9
173.06056	0.5
180.75780	0.5
183.04472	0.8
184.05174	0.5
185.06061	3.1
187.03957	2.1
187.05418	0.5
189.05637	1.0
195.04561	0.7
196.05333	0.6
197.06096	1.0
199.03954	0.8
201.05594	0.7
211.03996	2.3
212.04820	0.7
213.05545	2.1
214.02724	1.1
215.03444	0.7
227.03479	1.7
228.03946	0.8
229.05037	8.2
239.03404	1.9
240.04305	1.1
241.04988	1.2
243.02887	0.5
256.03455	1.7
257.04538	9.2
285.04019	100.0
286.04315	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	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.66214	0.3
56.88511	0.2
59.01381	0.3
63.02391	1.2
65.00323	2.5
69.30889	0.5
69.31300	2.0
74.02476	0.5
83.01388	1.7
93.03455	0.5
98.19818	0.5
105.03459	0.6
107.01385	5.2
108.02200	0.3
121.02974	1.5
125.02387	0.5
132.02191	0.6
133.02954	23.2
134.03249	0.6
143.05022	0.4
145.02962	0.5
147.04529	0.4
149.02437	3.1
151.00357	8.2
155.04980	0.3
157.06563	0.3
159.04529	0.4
161.06128	0.3
163.00462	0.4
167.05009	0.4
169.01408	0.8
169.06622	0.4
171.04475	1.3
173.02475	0.3
173.05891	0.4
175.03990	5.1
183.32823	0.3
185.06052	0.8
187.03995	0.8
189.05542	0.8
197.06081	0.7
198.03171	0.8
199.03961	3.9
201.01993	1.7
211.04062	0.5
213.05501	1.1
215.03528	0.5
217.05052	2.4
227.03438	0.5
228.03984	0.4
229.05038	0.9
239.03477	0.6
241.05029	1.2
243.03017	1.3
256.03363	0.8
257.04626	2.0
267.02921	0.5
284.26648	0.4
285.04025	100.0
286.01166	0.4
286.04370	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	285.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19031	0.1
57.03456	0.3
57.42815	0.2
63.02397	1.0
65.00340	0.5
65.03974	0.2
67.01926	0.3
68.99857	0.2
69.49361	0.4
69.49771	0.7
70.58102	0.2
79.01920	0.3
83.01382	0.7
89.04002	0.3
91.01898	1.2
93.03454	6.0
94.03768	0.2
95.01405	0.3
107.01383	3.5
107.02043	0.2
108.02217	0.6
109.02948	1.9
111.08173	0.2
115.05565	0.2
117.03458	2.3
117.70963	0.1
119.01408	0.4
119.05060	0.3
121.02991	0.4
123.00912	0.3
124.01707	0.2
129.03487	0.2
130.04266	0.5
131.05028	1.6
132.02252	0.2
133.03009	0.3
133.06610	0.2
135.00876	2.5
136.01611	0.1
137.02432	0.7
139.05446	0.2
141.07126	0.6
143.00940	0.1
143.05022	3.5
145.02965	1.3
145.06625	0.5
147.04622	0.2
151.00380	0.6
153.02010	0.4
154.04240	0.9
155.05075	0.9
156.05809	0.9
157.02974	0.3
157.06583	2.5
157.73471	0.1
158.03764	0.7
159.04510	5.1
160.04982	0.2
161.02466	0.7
161.06042	0.3
163.00377	3.7
164.01120	0.4
165.01956	1.0
167.05032	1.7
168.05701	0.3
169.02995	0.2
169.06604	2.0
170.03677	0.4
171.04524	1.5
171.10269	0.4
172.05037	0.2
173.02420	0.6
173.06125	0.8
174.03197	0.3
179.07903	0.2
182.03720	0.7
183.04489	2.0
184.05219	1.3
185.02568	0.4
185.06064	6.5
186.03084	0.3
186.06384	0.2
187.03990	8.1
188.04364	0.3
189.05530	2.0
190.99907	0.2
191.03432	0.2
195.04495	1.5
196.05220	0.6
197.06055	1.6
198.03224	0.7
199.03983	1.7
201.05565	1.6
210.03189	0.2
211.03992	4.2
212.04558	1.1
213.02043	0.2
213.05551	3.9
214.02631	0.8
214.05907	0.2
215.03502	0.7
223.04025	0.5
223.13187	0.2
224.04782	0.3
226.02640	0.2
227.03493	6.0
227.96329	0.2
228.03838	4.7
229.05046	22.5
230.05397	0.9
239.03453	2.9
240.04263	1.3
241.05013	2.6
243.02901	0.8
255.02943	2.1
256.03375	8.7
257.04553	9.9
258.04816	0.5
267.02908	1.7
268.03732	0.3
284.03256	0.2
285.03989	100.0
286.04349	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	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.02398	1.1
65.00326	1.0
67.01891	0.3
69.31980	0.8
69.32401	0.2
79.01907	0.3
83.01389	1.0
91.01900	0.3
93.03457	2.9
95.01392	0.4
107.01388	1.7
108.02174	0.7
109.02955	1.2
115.51405	0.1
117.03472	0.9
119.01409	0.3
119.05093	0.1
121.02939	0.3
123.00870	0.3
123.04520	0.5
128.38344	0.1
130.04245	0.3
131.05029	0.4
132.02214	0.1
133.02943	0.5
135.00883	0.7
136.01666	0.2
137.02440	0.6
143.05025	1.5
145.02980	1.2
145.06607	0.2
147.04529	0.2
148.01675	0.1
151.00369	2.0
154.04248	1.0
155.05067	0.6
156.05814	0.3
157.02972	0.6
157.06575	0.8
158.03735	0.3
159.04530	1.5
161.02469	0.7
163.00404	0.7
164.01120	0.5
165.01878	0.3
167.05006	0.6
168.05765	0.3
169.06583	1.1
171.04518	1.4
173.02435	0.5
173.06062	0.2
174.03098	0.2
175.03914	0.2
181.48758	0.1
183.04538	0.5
184.05254	0.4
185.06053	2.2
187.03995	2.0
188.04361	0.2
189.05530	0.2
191.03462	0.2
192.00662	0.1
195.04489	0.5
195.65315	0.1
197.06065	0.1
198.03195	0.3
199.03984	0.5
201.05551	0.8
210.03235	0.1
211.03975	1.4
212.04738	0.2
213.05592	1.2
214.02689	1.1
215.03485	0.7
217.05003	0.2
219.02972	0.3
223.04047	0.2
227.03511	1.1
229.05040	2.4
230.05286	0.1
239.03477	1.5
240.04153	0.5
241.05019	0.4
242.61638	0.1
243.03017	0.6
251.69583	0.1
255.02983	0.9
256.03635	0.2
257.04556	1.0
267.02921	0.3
268.03659	0.3
284.03305	0.2
285.04031	100.0
286.04379	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	285.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94459	0.4
63.02394	4.7
65.00324	3.1
68.84216	0.4
69.39048	3.7
78.87693	0.4
83.01392	3.7
93.03466	4.0
95.01372	1.5
98.19923	1.0
107.01394	6.4
107.02064	0.8
108.02206	0.6
109.02953	1.3
117.03476	1.3
123.00914	0.8
123.04514	0.7
131.05017	0.8
133.02972	0.8
135.00871	0.7
135.99477	0.4
137.02426	0.6
143.04985	1.9
145.02951	1.5
145.06599	0.6
151.00356	11.9
154.04228	0.6
155.05022	0.7
157.02934	0.6
157.06577	1.3
159.04456	1.4
161.02422	0.6
163.00334	1.9
164.01138	1.7
167.05049	1.1
169.01392	1.5
169.06596	1.3
171.04488	1.3
173.02397	0.5
183.04491	0.9
185.06099	3.2
187.03981	2.4
195.04471	0.5
197.06102	0.7
201.05594	0.9
211.03951	2.3
213.01938	0.5
213.05553	2.8
214.02715	0.7
227.03485	1.1
229.01483	0.5
229.05043	7.8
239.03435	1.7
240.04144	0.7
241.05107	2.0
255.02928	0.8
256.03534	1.5
257.04550	8.2
285.04031	100.0
286.04361	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	282.0844
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01380	1.0
66.00963	0.6
71.01389	0.5
82.04124	0.8
85.02976	0.3
89.02428	0.8
101.02430	0.5
102.02767	0.3
107.03629	4.6
108.02038	10.5
118.12881	0.3
119.03522	0.2
119.04990	0.4
120.05369	0.4
126.03101	4.4
133.01563	31.1
134.01968	0.4
150.04207	100.0
151.02606	0.6
151.04652	1.4
161.04593	0.4
164.04344	0.7
164.05612	0.3
282.08426	29.8
283.08649	1.1
283.26468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01371	0.7
61.03390	0.3
70.54719	1.3
71.01375	0.4
102.26012	0.4
106.04218	0.4
107.05029	100.0
108.05346	2.3
123.04517	0.6
147.08153	0.4
163.11284	100.0
164.11629	3.3
165.48624	0.4
167.48695	0.4
283.17029	91.7
283.22879	3.7
283.26443	23.1
284.17337	5.4
284.26779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
63.05179	0.7
66.96945	0.7
68.23360	0.7
69.21125	6.5
69.21442	0.9
71.01389	1.6
72.99300	0.9
73.02951	4.3
75.00871	4.4
80.26970	0.7
83.21591	0.7
87.00874	7.0
90.99165	0.6
93.03442	2.0
107.89078	0.7
117.01939	12.6
119.05027	61.4
120.05433	0.9
133.02992	0.7
135.02994	17.5
135.04570	2.2
148.69585	0.7
160.80716	0.7
161.02501	1.5
163.04008	100.0
164.04317	1.5
177.05585	1.2
179.03514	2.1
188.00864	0.6
192.62459	0.7
204.29738	0.7
206.57800	0.6
221.04604	1.0
281.06656	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.27610	0.7
52.96088	0.8
57.02386	0.8
65.75030	0.7
70.25703	1.7
70.26089	1.2
79.51449	0.7
80.90489	0.7
86.87354	0.9
90.08060	0.7
101.08940	0.9
131.80351	0.9
221.30396	0.7
227.05528	0.9
254.82304	0.8
276.62427	0.8
279.23279	100.0
280.21054	0.8
280.23682	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	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01872	0.8
58.00567	1.0
59.01381	41.8
61.67176	0.6
65.64089	0.7
69.52934	1.4
69.53341	3.9
71.01385	19.8
71.05019	11.4
72.99296	1.1
73.02943	1.6
83.01383	2.1
85.02984	4.2
89.02447	18.4
95.01362	1.0
99.04510	2.7
101.02451	15.3
101.06080	2.3
110.44878	0.8
113.02450	6.9
113.06059	1.1
117.05578	74.6
118.05938	1.3
119.03492	7.6
143.03465	0.8
159.06598	1.2
161.04614	1.1
170.12958	0.7
279.10840	100.0
280.11252	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.39594	0.7
59.01371	1.7
70.83930	1.1
70.84244	1.3
114.49161	0.8
175.25179	0.7
200.95265	0.8
203.84688	0.7
242.19339	0.8
265.58578	0.8
277.21719	100.0
278.21906	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	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.05636	0.1
56.65073	0.1
59.01105	0.2
59.01379	2.8
71.01368	0.6
71.52761	0.2
83.05005	0.3
89.00340	0.9
92.99818	0.3
114.14536	0.2
116.99805	0.2
121.02959	0.2
127.07638	0.5
160.98807	0.6
188.98245	0.3
203.63272	0.2
204.97777	0.4
205.01402	0.2
205.15973	0.5
232.97275	0.4
233.00755	0.2
233.19077	0.2
233.22778	0.4
259.20517	0.6
275.20084	0.4
276.96313	0.3
277.21692	100.0
278.18890	0.3
278.22052	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	277.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51693	0.4
59.01104	0.6
59.01376	6.8
61.98817	0.5
65.00327	0.5
65.42701	0.4
70.54331	0.8
70.54692	0.9
70.92168	0.4
71.01370	1.9
89.00333	4.8
92.99848	1.9
95.01385	0.7
96.96028	0.6
99.00836	0.4
101.02469	0.4
115.00455	0.4
116.99817	0.6
121.02973	0.8
123.38376	0.4
130.38020	0.4
135.00833	0.4
141.21991	0.5
160.98787	3.1
161.02501	0.5
176.98334	0.5
182.93666	0.5
188.98225	0.9
189.01833	0.6
204.97780	1.9
205.15909	1.5
206.99214	0.5
232.97311	1.9
233.00919	1.3
233.19089	0.5
233.22754	0.9
248.96535	0.5
259.20828	0.7
262.12009	0.4
276.96231	1.8
276.99738	1.1
277.02704	0.5
277.18201	11.7
277.21680	100.0
278.18781	0.9
278.22025	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	277.1661
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
55.70049	0.3
59.01149	0.6
59.01467	2.8
65.00388	0.4
65.48331	0.3
71.01454	0.9
73.80515	0.4
77.00419	0.4
89.00440	3.4
90.08549	0.3
92.99920	1.0
93.03550	0.4
99.00970	0.4
103.02319	1.7
104.94805	0.4
116.99896	0.6
121.03267	4.2
137.02370	0.4
146.99428	0.9
147.08470	4.5
149.01003	0.7
160.98817	2.7
165.00436	12.1
181.00000	0.9
187.14084	0.4
188.98293	1.0
189.01981	0.4
189.04131	1.2
191.05656	12.3
192.05902	0.4
204.97821	2.0
205.01416	0.6
205.07234	1.3
205.16017	1.0
207.05142	0.8
217.07185	0.8
229.30876	0.5
231.08861	2.0
232.97224	1.5
233.01016	0.9
233.10324	100.0
234.10503	6.9
258.98904	0.4
259.15555	0.8
276.96201	2.4
276.99744	0.6
277.16525	93.0
277.21313	25.0
278.16669	7.8
278.21857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0924
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
55.57773	0.4
58.76973	0.4
79.95743	0.4
80.28104	0.4
80.49579	0.4
84.31893	0.4
85.02935	0.6
98.20717	1.3
109.02997	0.6
114.43974	0.4
130.04213	0.9
133.02965	1.3
133.35381	0.4
134.03740	1.7
135.04541	0.6
141.10486	0.4
144.13344	0.4
146.03772	1.0
151.07661	1.2
158.03711	3.0
159.04494	5.0
159.08133	1.0
162.03197	0.5
163.92123	0.4
172.05287	12.1
173.06052	7.9
178.02679	0.6
183.04559	0.5
187.04134	4.9
187.07634	100.0
188.07997	3.9
193.75471	0.4
201.05560	10.9
202.06346	18.0
202.08244	1.0
202.99904	0.7
203.06725	0.7
203.10701	0.7
204.04271	1.7
213.09172	3.9
215.07219	0.6
216.07893	1.1
229.52505	0.6
231.10245	20.5
232.10597	1.1
239.39771	0.5
275.09354	5.2
276.03503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0383
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
53.20691	0.3
57.03421	0.4
57.66879	0.4
57.77018	0.3
59.01377	1.0
61.22014	0.3
63.22921	0.3
69.03442	0.8
69.73574	1.8
78.95900	73.9
85.02975	0.7
87.00871	0.4
93.03449	1.2
95.01369	0.4
96.96968	4.1
98.19862	0.5
100.92034	0.4
101.00935	0.7
110.98528	54.8
113.02405	0.3
116.06582	0.3
117.00423	1.3
125.00987	1.6
125.02361	0.5
125.96420	0.4
126.98874	1.1
127.02499	1.2
128.89203	1.1
130.88937	9.9
137.02419	0.6
141.00414	1.2
147.03021	0.5
149.00946	1.0
151.02489	0.8
154.90619	2.3
157.03543	1.1
167.01956	1.5
168.99918	3.9
169.03546	1.3
183.05229	0.5
191.01988	0.5
192.99904	0.6
193.03546	0.8
195.01465	7.4
196.01633	0.9
208.97493	0.5
211.00931	1.4
212.98665	0.4
225.02402	0.7
230.87292	1.9
231.03635	0.6
241.01175	18.2
244.74443	0.3
254.91644	0.4
255.03522	1.4
264.98315	0.6
273.03857	100.0
274.04532	3.1
292.04556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
59.18374	0.3
71.01433	0.4
74.34135	0.3
77.63225	0.3
88.98739	0.3
99.00891	0.8
108.02136	1.0
109.02960	1.0
116.26025	0.3
125.02419	1.0
140.36931	0.3
161.55679	0.3
211.20697	2.2
213.05598	0.5
214.99924	0.5
217.46356	0.4
225.22202	1.2
227.03577	0.4
241.05116	1.8
253.21704	1.1
256.07349	0.4
269.21240	1.2
271.02426	0.6
271.22769	100.0
272.23114	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	273.004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43467	0.4
65.00301	0.6
80.17850	0.4
80.36292	0.4
83.01389	1.3
85.10032	0.4
107.01391	1.2
109.02975	0.5
111.21906	0.4
117.03454	5.7
120.69760	0.4
127.47941	0.5
145.02948	21.5
146.03284	0.8
151.00314	3.2
153.01942	5.4
157.02957	2.9
158.27739	0.5
161.02428	0.8
163.03992	0.6
173.02425	91.2
174.02769	2.6
189.01863	0.8
191.03549	0.7
201.01926	30.7
202.02219	0.9
229.01485	0.9
233.24504	0.5
245.00896	87.7
246.01183	2.9
273.00397	100.0
273.20767	1.2
274.00745	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
53.54831	0.2
59.01365	0.2
66.77947	0.2
71.41985	0.5
88.56539	0.3
99.00883	0.5
108.02190	0.4
109.02950	0.4
125.02433	0.5
140.43536	0.2
225.22234	4.3
241.05107	0.4
253.21698	1.8
256.07477	0.3
269.21213	0.8
270.24622	0.3
271.22763	100.0
272.23068	6.2
280.38412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76212	1.2
53.11648	1.2
57.03450	7.0
59.01375	18.1
69.03456	17.8
71.00999	1.8
71.01378	13.3
71.05017	8.5
71.52258	1.5
71.52625	1.5
73.02966	1.4
81.03448	2.4
83.05028	5.8
85.02960	2.4
87.00856	4.1
93.03485	2.9
97.06596	3.0
99.08145	3.0
106.15692	1.5
109.02926	3.0
109.06586	4.6
111.04499	10.5
111.08162	13.7
113.06094	3.5
115.04009	8.3
121.06605	2.1
121.10281	1.7
123.04549	1.7
123.18908	1.4
125.02454	1.9
127.07691	2.2
129.05565	2.3
129.09306	1.6
137.06059	2.7
137.09724	1.7
139.07639	5.2
139.11281	18.9
143.05125	1.3
151.03940	1.4
153.05565	2.3
155.07137	20.0
155.10762	3.6
173.08173	3.2
174.01686	1.4
183.10260	100.0
184.10580	3.6
191.14360	2.8
193.33543	1.5
213.05502	2.6
214.99796	2.9
234.98676	2.3
235.13541	3.4
241.05109	6.9
242.99353	4.7
252.99834	1.9
253.14474	6.6
256.07413	4.9
270.98965	7.4
271.02444	8.7
271.06308	1.7
271.09650	5.0
271.15494	84.2
272.15881	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
50.28485	0.8
63.02400	10.8
64.18960	0.7
65.00008	1.3
65.00326	18.0
65.03950	0.8
67.13929	0.8
69.39266	1.6
69.39683	4.9
83.01377	10.6
93.03460	15.2
107.01385	26.5
108.02200	1.5
109.02965	1.0
115.01860	0.8
118.24273	0.9
119.05029	75.6
120.05362	2.6
125.02460	1.5
143.01392	10.0
143.05074	1.7
145.02936	1.4
151.00363	67.4
152.00648	0.9
161.05984	1.0
165.01929	3.9
169.01418	2.7
171.00859	4.7
177.01920	9.6
179.77736	0.7
185.06133	0.8
187.03995	2.5
209.29962	0.7
214.99847	28.8
216.00220	1.6
227.07077	1.1
229.04997	0.7
241.04932	1.6
242.99326	24.7
243.99623	1.7
244.30052	0.8
256.07428	1.0
270.98886	3.6
271.06104	100.0
272.06396	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	271.0611
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01352	0.8
59.08448	0.7
63.02396	10.5
64.99973	1.0
65.00321	18.7
69.36086	2.4
69.36491	3.9
71.01365	1.1
73.25784	0.7
83.01386	12.4
89.02465	0.7
93.03459	15.5
93.12231	0.7
95.01362	0.9
98.19917	1.1
107.01391	26.5
108.02264	1.4
109.02956	1.7
117.03436	0.8
119.05029	79.0
120.05359	1.7
121.02962	1.0
125.02448	1.5
142.99858	1.5
143.05000	1.0
145.02969	1.7
151.00366	75.1
152.00702	1.9
161.06024	1.3
165.01945	3.9
169.01439	2.4
174.01720	5.0
177.01935	9.5
185.05986	3.7
187.03978	2.9
197.06064	1.7
199.03932	1.5
212.04765	0.8
213.05560	3.1
214.99814	2.0
225.05527	2.0
227.03563	0.8
227.07135	1.8
240.04132	1.1
240.07889	1.3
241.05029	8.2
242.99284	1.8
243.03004	1.0
256.07324	5.4
271.02695	5.6
271.06110	100.0
271.09387	5.0
271.15512	2.4
272.06497	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	269.0454
Annotation	Apigenin
Peak:m/z	Relative Intensity
57.03438	0.4
58.48737	0.2
60.51134	0.2
63.02396	1.5
65.00328	3.9
66.01263	0.2
70.82016	0.6
71.47751	0.2
77.08800	0.2
83.01400	2.0
87.04514	4.2
89.42757	0.2
93.03447	0.6
99.82394	0.2
105.03465	1.1
107.01394	7.0
117.03463	24.8
118.03799	0.4
118.15109	0.3
121.02955	1.9
149.02440	9.3
151.00371	10.7
151.01591	0.6
155.07167	0.3
155.10762	0.5
159.04523	2.1
169.06578	0.5
180.05783	0.8
181.06596	1.8
181.08521	0.3
183.04498	1.9
185.02402	0.6
197.06021	0.6
201.05598	2.1
207.13863	0.3
207.17564	0.4
224.04730	0.6
225.05585	4.3
225.14952	1.9
227.03400	1.8
241.05049	0.4
245.28517	0.3
269.04541	100.0
269.13980	2.5
269.17538	4.2
269.21118	1.0
269.24744	0.4
270.04886	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	267.1601
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
59.01376	6.4
65.00331	1.0
69.18142	6.3
69.18555	1.2
71.01389	2.0
73.02960	1.3
73.83949	0.7
85.02972	1.1
89.02460	1.5
91.01870	0.7
95.01424	1.5
101.02458	2.1
107.01405	1.0
111.08148	0.7
112.52197	0.7
121.02963	1.3
135.00871	0.9
161.04623	0.9
161.41641	0.9
178.99724	1.0
179.03679	0.7
205.15962	13.3
222.98671	0.7
223.17033	100.0
224.17325	4.7
231.13899	1.6
249.14952	6.1
267.11014	2.5
267.15994	56.4
268.16351	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	268.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.5
60.01701	4.9
61.98830	100.0
69.86704	21.5
76.06268	4.8
130.08839	5.0
135.03099	7.8
136.03485	6.6
177.15602	5.5
241.49464	4.7
262.53336	5.6
268.07468	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	267.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
60.23685	0.3
63.80381	0.4
64.26085	0.3
69.36530	0.3
69.86021	1.4
70.45224	0.3
71.01383	0.7
72.99303	4.8
74.00622	0.4
75.00858	1.8
75.08434	0.3
96.95999	0.6
105.01932	100.0
106.02271	1.0
107.05049	0.5
133.02959	8.5
135.04524	4.9
148.43076	0.4
151.03963	0.5
152.01163	0.3
161.02438	37.3
162.02786	1.0
179.03452	2.7
179.07132	0.5
203.73038	0.3
223.02541	1.3
267.04907	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	267.072
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
50.89652	0.9
52.27559	0.8
54.44240	1.1
55.01880	1.5
56.45432	0.8
57.03442	3.2
59.01079	1.2
59.01379	32.8
61.98826	3.1
71.01383	39.4
71.35696	1.8
72.99308	5.4
73.02943	4.9
74.99126	1.3
75.00877	16.9
83.01382	2.5
83.05060	0.9
85.02954	26.4
87.00882	24.0
88.04044	1.4
89.02446	15.3
93.03481	1.2
95.01378	5.7
99.00893	7.8
101.02438	12.2
103.00376	2.5
105.01937	15.1
108.02156	2.6
109.02922	2.0
113.02454	32.2
115.00391	1.0
117.01959	2.3
119.03489	3.1
120.99670	7.7
129.01962	2.1
131.03474	1.2
135.00951	1.1
135.04549	3.6
136.99075	1.2
152.01167	2.3
161.02464	3.8
161.04523	1.9
175.02499	1.8
179.03624	3.7
191.05629	2.0
205.07227	1.0
211.43092	1.1
231.92433	1.2
233.73047	1.0
249.06218	3.1
267.07233	100.0
268.07581	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	267.0721
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01875	1.7
57.03440	4.4
59.01377	28.2
70.79473	2.5
71.01377	36.7
72.99306	3.9
73.02943	1.5
75.00870	18.6
76.10508	0.9
83.01350	1.5
85.02953	32.4
87.00874	21.3
89.02438	10.7
91.04034	1.2
95.01390	4.3
99.00880	9.2
101.02423	3.4
103.00372	1.9
105.01929	4.8
113.02450	42.5
115.00378	2.1
117.01947	3.5
119.03482	1.8
127.89532	0.9
129.01917	1.7
131.03473	1.3
175.02437	1.9
184.38933	1.0
186.72273	1.0
191.05682	2.9
194.99734	1.5
205.07182	1.6
206.58139	1.0
237.06010	1.5
249.06119	6.6
255.48482	0.9
264.36807	1.0
266.97906	2.2
267.07199	100.0
268.07581	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	265.2171
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
55.98455	0.7
59.01385	1.5
65.00318	2.2
70.15072	1.8
71.01366	1.0
75.40695	0.7
75.57281	0.8
79.95736	1.3
92.99830	0.9
95.01376	2.7
96.96009	64.0
101.02417	0.9
103.92319	0.8
120.99317	1.0
145.28745	0.7
148.98801	2.3
176.98351	1.6
177.01906	1.8
202.99930	0.8
221.00972	1.6
264.96204	2.7
264.99667	1.1
265.07147	0.9
265.14786	48.3
265.21701	100.0
265.65677	0.7
266.14978	1.5
266.22086	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	266.0896
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.01378	1.1
69.47581	0.5
69.47983	0.5
70.27581	0.2
71.01385	0.8
75.00887	0.2
77.95418	0.2
79.95751	0.2
85.02956	0.7
87.00906	0.3
89.02431	0.2
92.02547	1.8
101.02459	0.5
105.01947	1.8
107.03640	4.7
107.04365	0.4
111.76759	0.2
111.90466	0.2
113.02462	0.7
134.04733	100.0
135.05238	1.1
158.73605	0.2
161.02473	0.9
161.04590	0.3
266.08942	7.3
267.07202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1806
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01382	8.0
65.00314	7.4
71.01357	4.8
71.53300	2.3
78.95894	4.8
85.02904	2.7
92.99793	2.0
95.01394	9.7
95.05035	2.5
96.96005	7.6
97.06583	6.2
111.08113	2.0
113.02504	2.3
120.99297	3.0
121.02954	2.1
121.10258	9.3
143.07150	19.4
148.98776	7.2
149.02448	2.4
149.09662	2.3
151.11252	2.3
153.73859	1.8
165.12961	2.2
167.10770	25.4
176.98302	3.3
177.01903	3.2
177.09262	2.2
195.10260	5.5
203.18051	4.3
221.00923	2.5
221.15431	1.9
247.17055	22.4
264.96140	7.3
264.99475	1.7
265.14761	10.2
265.18051	100.0
266.18372	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14544	0.4
58.99596	3.6
59.01377	6.5
68.23161	0.4
71.51784	0.4
80.98555	0.4
87.00865	4.3
87.02747	2.7
102.98609	0.4
131.05402	2.3
133.06926	100.0
134.07242	1.7
135.13562	0.5
163.00330	1.3
190.99696	0.5
191.03522	0.8
203.07466	5.3
221.08502	16.9
221.10657	0.9
262.98395	1.0
263.01889	1.2
263.09521	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	263.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86686	1.8
55.01858	1.6
57.03445	2.2
59.01373	3.2
69.26603	5.7
69.27026	11.1
70.02763	2.0
71.01384	4.8
71.04986	1.6
78.53197	1.4
79.05529	2.8
79.10432	2.0
83.05024	3.4
83.74841	1.7
93.07129	2.1
94.80992	1.6
95.05040	3.5
97.02975	8.9
98.20658	4.0
105.07114	5.2
107.04977	2.3
108.05824	7.3
109.02929	8.6
109.06571	4.9
109.38375	1.8
111.04529	13.9
113.06104	8.7
115.45903	1.8
119.08674	5.6
119.49685	1.8
121.06602	4.1
122.03738	11.3
123.04545	4.2
123.08168	10.3
124.05252	2.3
125.06071	18.5
125.06816	2.0
135.08148	2.5
136.05315	17.8
137.06104	9.7
138.06868	22.2
139.07648	32.8
148.05292	12.0
149.06097	4.4
151.07646	76.8
152.04779	7.0
152.08441	35.5
153.09242	12.8
154.82907	2.1
159.11803	4.6
161.09727	8.7
163.07600	13.7
167.07123	2.6
175.11317	1.9
188.08397	3.3
189.09215	7.0
193.18652	2.0
201.12854	29.6
202.13132	1.9
203.10757	30.3
204.11563	62.9
205.11926	3.4
219.13889	100.0
220.14235	3.5
247.81151	1.7
248.14195	2.1
263.12881	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	261.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37790	0.6
57.03437	4.6
58.02968	1.1
59.01379	41.1
68.50549	0.6
69.03464	1.0
69.14974	5.1
69.15394	2.8
70.02991	0.9
70.92208	0.7
71.05017	2.3
72.04559	1.1
73.02943	1.6
74.02474	9.1
83.05022	1.5
85.02937	1.8
85.06593	1.5
87.04505	8.1
93.19892	0.6
95.05019	1.4
96.95999	1.2
97.06594	2.5
98.02454	1.6
101.06088	4.2
113.06062	1.4
115.07656	1.2
116.03547	5.3
123.04518	0.9
123.08112	1.0
125.09688	3.8
128.03563	1.9
129.09204	1.2
131.03722	2.7
132.04532	3.7
144.04562	1.5
145.03003	1.1
153.09209	2.6
155.10779	3.9
157.07681	1.2
157.12376	3.6
158.06091	0.9
161.02455	1.4
173.02368	1.3
173.11810	11.7
177.01970	0.9
201.06645	1.3
201.11314	27.6
211.47749	0.8
217.01414	1.8
219.12358	100.0
220.12669	3.1
222.68423	0.7
249.41374	0.7
261.00348	3.2
261.04034	1.1
261.08786	5.9
261.13367	12.2
262.13644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	35.0
69.03448	0.5
70.19530	0.4
71.01372	2.1
72.02152	0.6
73.02946	19.6
74.02461	0.6
80.68858	0.5
84.78790	0.5
85.02961	0.6
87.04519	3.4
93.87343	0.5
95.05034	0.5
96.11955	0.5
96.95991	1.6
97.06608	0.7
99.08157	1.1
109.06601	1.5
109.63469	0.5
111.08153	1.0
114.05598	0.5
120.76975	0.5
121.10250	0.8
125.09748	0.7
127.07627	0.7
129.09213	1.9
135.08186	1.2
137.09715	1.2
139.07626	2.6
139.11292	1.9
141.09232	1.3
153.09225	4.8
155.10785	5.8
157.12320	3.8
161.02437	1.3
173.11804	6.2
177.01953	1.2
189.01991	0.7
201.09555	0.9
201.11333	12.1
205.01505	0.8
217.05096	0.9
217.10785	0.7
219.12363	100.0
220.12741	3.1
234.46678	0.5
241.83327	0.5
261.00467	3.7
261.04202	0.8
261.07819	1.7
261.13434	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	261.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68676	0.6
57.03442	1.8
58.02964	0.7
58.18334	0.5
59.01379	34.7
59.25411	0.6
70.02973	0.7
70.06010	2.5
71.04992	1.0
72.02168	0.7
73.02943	8.1
74.02479	5.9
75.62212	0.6
87.04502	2.4
90.96519	0.6
96.95985	1.3
98.02458	1.8
98.20643	0.9
99.08185	0.8
109.06596	2.1
111.08178	1.9
116.03543	3.2
121.10217	0.7
125.09733	2.2
127.07626	0.6
129.09203	2.2
131.03719	1.1
132.04559	3.0
133.02979	1.2
135.08093	0.7
139.11266	1.5
141.09207	1.7
143.10776	5.2
153.09250	4.1
155.10764	6.8
157.07741	1.5
157.12361	2.8
158.06055	0.7
161.02425	1.7
173.11807	3.8
177.01903	1.4
189.02005	1.0
201.06578	0.9
201.11305	12.9
205.01379	1.0
217.01454	1.3
219.12367	100.0
220.12668	2.5
233.00951	1.4
261.00339	4.8
261.04425	1.0
261.08997	5.5
261.13379	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	259.0225
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
66.04526	0.6
70.18639	2.5
71.01392	0.6
78.95901	100.0
83.69754	0.6
92.96008	0.8
96.96959	85.9
110.93449	0.8
114.92052	0.7
132.95494	1.5
138.98010	3.9
144.95453	2.8
156.93068	0.9
168.99031	1.9
174.96532	1.8
178.96048	0.7
183.69418	0.6
186.92947	1.9
188.94508	0.7
198.90517	2.0
199.00186	2.5
204.97583	1.8
213.05151	0.8
216.90659	2.7
222.98619	5.2
223.98914	0.8
240.91594	1.6
241.01208	2.1
245.57089	0.6
258.92581	3.1
259.02216	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.7
59.01379	41.6
69.03441	2.4
69.36115	5.4
69.36525	1.8
71.01387	1.3
71.05017	2.9
74.01486	0.7
75.00863	1.0
83.05009	1.4
85.02952	6.2
87.04522	4.1
93.03426	1.0
95.05021	1.2
96.04572	4.9
97.06590	1.2
98.19895	1.5
99.00874	2.5
99.04501	1.5
101.06082	3.7
105.03440	2.1
109.06571	0.8
111.00907	1.2
111.08157	2.5
112.98825	1.4
117.03448	1.2
120.99630	1.9
123.04484	0.8
125.09737	2.5
129.01891	1.4
129.09230	3.8
131.01669	0.9
133.02942	3.1
137.09650	1.0
143.10760	1.8
147.84151	0.8
155.10779	2.9
157.12305	3.3
158.04608	1.1
161.02435	12.0
171.03038	0.8
173.11829	9.1
181.05058	1.5
189.01930	3.5
199.07593	1.1
201.11317	37.7
202.11635	1.3
212.19446	0.8
217.01347	1.5
219.12363	100.0
220.12743	2.8
233.00917	3.4
261.00397	20.4
261.06256	1.1
261.13373	10.8
262.00397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0224
Annotation	D-Glucose 6-phosphate
Peak:m/z	Relative Intensity
52.87545	5.0
55.75738	4.4
59.01378	17.9
68.99841	5.4
69.56136	29.8
71.01382	17.5
78.95905	100.0
83.01409	10.5
87.00861	6.4
92.73300	4.6
96.96960	67.5
99.00888	33.3
111.00877	11.4
112.98804	22.3
127.07579	5.7
129.01967	10.3
135.04578	7.1
159.06583	8.0
173.00827	8.8
199.09737	18.7
217.10695	14.3
221.12514	5.9
229.45493	4.4
259.02255	29.3
277.77957	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	257.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84310	0.9
52.42429	0.9
54.66721	0.8
58.19161	0.9
58.40110	0.8
59.02555	0.9
69.21849	8.6
76.86428	0.8
80.02665	3.6
82.44904	0.9
91.01888	6.3
93.03458	19.1
95.01379	3.9
98.12592	0.9
105.03474	1.5
105.12092	0.8
107.05029	18.9
108.02175	65.1
109.03003	1.1
121.02956	100.0
122.03315	1.2
123.04523	55.0
124.07730	1.0
135.00882	21.4
136.01636	2.9
149.02429	2.1
151.04008	17.1
166.02596	1.1
195.04509	3.7
197.06013	4.3
224.04796	4.3
225.05562	40.0
226.05792	1.4
227.07074	2.8
239.07104	2.6
242.05847	2.1
257.08173	83.3
258.08560	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	255.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89990	0.9
51.58051	0.8
54.54264	0.8
55.50530	0.9
57.03439	1.5
79.57614	0.9
80.02679	0.8
83.05020	3.1
91.10988	0.9
95.01369	1.5
97.06591	9.5
97.50627	0.8
98.20697	1.8
109.06619	1.2
111.08178	7.7
116.19422	0.8
123.00906	1.0
147.11800	1.8
149.09744	1.0
163.11264	3.1
165.12843	100.0
166.13153	3.6
209.11772	3.4
211.17043	11.0
212.17374	1.1
255.03242	1.0
255.15913	1.9
255.23271	36.4
256.23642	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	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85319	1.6
54.97132	1.7
57.04168	1.7
59.01380	1.9
60.97320	1.7
61.98832	100.0
66.19972	2.1
68.84380	1.8
70.06062	8.7
70.27372	2.4
92.65682	2.0
122.03277	4.2
178.93210	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	255.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05570	0.5
59.01439	0.6
59.85677	0.7
61.44057	0.6
65.00418	1.8
66.23026	0.6
69.18813	3.5
69.19244	2.4
79.01962	0.9
81.03561	3.0
89.00401	0.8
94.56441	0.6
95.00826	1.1
95.01492	14.6
106.00681	1.0
107.01386	13.4
109.02955	4.6
110.00208	2.2
120.99390	1.6
121.03004	1.6
122.00185	1.9
123.00874	9.2
124.01760	0.7
128.58250	0.6
133.47862	0.6
137.02527	2.7
148.98898	1.7
149.99544	5.7
151.00363	39.4
152.01071	1.5
153.01918	5.9
153.10721	0.6
165.01921	3.7
165.99152	2.1
169.01440	1.0
176.98325	0.8
178.99826	3.4
181.01440	6.6
183.02997	7.8
183.04398	1.0
193.01396	1.1
194.99443	1.3
209.00896	15.7
211.02513	2.6
227.01953	0.9
237.00391	100.0
238.00719	4.4
255.01422	65.8
255.23291	10.5
256.01773	2.0
271.67346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98815	2.9
69.31788	5.7
69.32212	9.4
71.01348	3.0
77.41304	1.8
92.46995	2.1
98.20667	3.8
101.02446	5.1
121.02922	8.4
177.39673	1.8
253.00093	2.2
253.03450	3.3
253.09163	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	253.2172
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
58.67758	10.0
59.01369	40.6
65.00331	21.7
71.36189	13.5
85.29648	8.7
90.37160	8.9
119.01908	11.4
136.98801	38.3
215.27092	10.0
253.21716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.5
60.58977	0.6
61.46032	0.5
61.98825	4.3
68.32410	0.4
71.01395	1.1
71.50965	0.6
80.96514	0.6
87.00873	6.1
89.02458	0.8
93.03470	1.6
103.00378	1.6
112.98813	2.5
121.02959	100.0
122.03297	2.2
134.03761	0.8
135.53342	0.5
137.02419	0.7
149.06035	0.5
165.01939	0.9
193.05109	0.6
209.00877	1.0
211.06178	1.1
231.54240	1.8
252.99936	2.2
253.03577	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	251.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47216	1.2
55.01878	9.7
57.03435	6.1
58.00591	2.8
59.01380	76.6
61.03423	1.1
67.91205	1.4
68.56628	1.1
69.03455	1.3
71.01382	100.0
71.20523	2.5
71.66669	1.4
72.01691	1.6
72.99302	2.8
73.02946	30.8
75.00871	3.9
75.45439	1.1
82.63370	1.3
83.01385	17.4
85.02953	42.8
86.11584	1.1
87.00861	4.5
87.04515	1.7
89.02441	29.3
89.06076	1.8
95.01382	7.6
97.02956	2.2
99.00879	14.8
101.02443	91.8
102.45967	1.3
113.02450	42.9
119.03493	7.1
125.02454	2.8
127.30719	1.4
135.04521	6.1
143.03481	4.9
159.02983	10.6
161.02490	1.7
161.04564	40.7
162.04802	1.6
179.03450	3.6
251.02296	1.8
251.05556	2.8
251.07736	2.7
251.11362	26.9
251.14241	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	251.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47216	1.2
55.01878	9.7
57.03435	6.1
58.00591	2.8
59.01380	76.6
61.03423	1.1
67.91205	1.4
68.56628	1.1
69.03455	1.3
71.01382	100.0
71.20523	2.5
71.66669	1.4
72.01691	1.6
72.99302	2.8
73.02946	30.8
75.00871	3.9
75.45439	1.1
82.63370	1.3
83.01385	17.4
85.02953	42.8
86.11584	1.1
87.00861	4.5
87.04515	1.7
89.02441	29.3
89.06076	1.8
95.01382	7.6
97.02956	2.2
99.00879	14.8
101.02443	91.8
102.45967	1.3
113.02450	42.9
119.03493	7.1
125.02454	2.8
127.30719	1.4
135.04521	6.1
143.03481	4.9
159.02983	10.6
161.02490	1.7
161.04564	40.7
162.04802	1.6
179.03450	3.6
251.02296	1.8
251.05556	2.8
251.07736	2.7
251.11362	26.9
251.14241	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	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01376	3.4
70.39236	1.4
72.12894	0.4
77.79016	0.4
81.03497	0.5
83.05009	0.6
83.77609	0.4
84.33700	0.4
87.97746	0.5
92.99793	0.7
95.01379	0.6
98.20003	0.5
107.45776	0.4
116.23299	0.4
133.02951	0.5
149.02383	0.6
150.86108	0.5
153.88484	0.4
160.98746	0.5
161.02460	0.6
176.98302	0.6
177.01778	0.4
191.95697	0.5
204.97629	0.9
205.14180	0.8
205.15971	10.5
205.19588	2.0
206.16318	0.9
231.17511	1.3
247.17079	0.6
248.97017	1.5
249.00154	0.6
249.14929	17.2
249.18556	100.0
250.14565	7.3
250.18829	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	249.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33419	1.1
59.01369	2.5
65.00319	3.0
65.02076	1.0
68.99564	1.1
69.03467	1.3
71.53047	1.8
73.02962	1.3
91.00620	1.0
95.01391	2.8
112.98560	3.5
113.06018	1.0
115.03156	0.9
117.03458	1.5
127.07671	6.1
133.10228	2.1
150.10242	1.2
151.11270	1.3
154.97351	3.1
167.06886	2.4
169.08487	1.0
176.98277	2.1
177.05504	1.4
177.09198	1.3
181.12325	24.3
187.07368	1.6
189.05386	2.1
191.07019	1.5
199.07420	1.9
201.08969	5.3
203.10548	13.7
204.97682	1.1
205.01489	2.2
205.08574	2.2
205.12160	4.8
207.09941	1.4
217.08418	4.2
219.09993	7.5
221.11598	3.8
223.13136	71.0
224.13449	2.5
227.62613	1.1
233.07915	9.9
235.09473	23.9
237.11082	49.8
248.97078	7.3
249.00261	2.1
249.11061	100.0
249.15118	3.4
250.11479	4.4
250.14468	8.6
265.10580	9.6
267.12131	84.1
268.12381	3.7
268.68021	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	249.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39228	2.6
59.01368	8.9
60.87271	2.2
71.01373	6.8
71.05019	13.0
71.51048	4.2
72.99307	59.8
73.02946	3.8
80.96482	3.6
81.03441	9.3
83.05022	100.0
84.29841	2.0
87.00867	6.0
88.53701	2.3
93.03459	2.6
97.02943	4.6
99.04512	5.5
101.02428	7.8
109.02930	6.1
111.04522	44.1
113.02429	2.7
115.04013	59.9
116.57372	2.8
127.04016	98.5
129.05592	12.4
133.02834	3.7
137.02423	6.0
155.03506	91.9
158.67723	2.3
161.02477	3.2
162.03130	3.1
170.40279	2.7
171.02902	7.6
186.56039	2.6
189.03992	10.1
199.02473	59.8
205.04999	7.0
217.03526	75.9
218.03894	3.3
227.87180	2.5
231.05052	10.7
249.03966	5.3
249.14998	3.6
250.14311	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	247.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72187	0.1
51.65574	0.1
55.33879	0.1
59.01383	0.2
69.17995	0.3
69.18387	1.3
91.01906	0.3
119.01364	0.2
146.28435	0.1
147.00841	0.6
175.00365	0.3
175.03986	0.2
184.00159	0.3
191.03481	0.2
202.99884	0.9
205.15941	0.3
220.17081	0.3
231.13911	0.5
232.03685	0.2
246.98869	1.7
247.02652	0.8
247.17012	100.0
248.07919	0.3
248.17352	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	247.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31088	0.1
57.27416	0.1
61.91128	0.1
65.03981	0.1
76.09608	0.1
83.94794	0.1
89.03971	0.2
91.05544	0.2
91.45181	0.1
92.94666	0.1
93.03447	0.2
103.05519	0.2
105.03436	0.3
107.05025	0.6
117.03458	0.6
119.05025	1.9
121.02931	0.4
122.34145	0.1
129.03471	0.3
131.04971	0.2
131.62621	0.1
133.02921	0.5
135.04517	1.0
145.01897	0.2
145.02962	2.9
146.03694	0.2
147.04514	3.5
149.02472	0.3
157.02696	0.1
158.03705	0.1
159.04504	0.3
161.02423	0.5
163.03996	2.8
173.02417	4.0
174.03152	0.8
175.02521	0.2
175.03986	3.0
176.01147	0.5
177.01910	0.5
189.01921	0.3
190.02699	3.5
191.03494	14.1
192.00648	0.4
192.03914	0.4
201.01959	0.8
203.03476	1.2
204.00720	0.2
205.01340	0.4
217.01443	0.3
218.02182	0.6
219.02972	5.8
220.03319	0.3
229.01471	0.3
246.01537	0.7
247.02455	100.0
248.02805	4.6
248.05510	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	246.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16931	0.3
61.42625	0.4
63.02403	0.9
65.00334	1.0
69.73146	2.2
75.02395	1.8
79.01908	0.7
91.01893	12.0
93.03460	0.8
95.01390	0.5
103.01875	0.6
107.30499	0.3
111.82346	0.4
113.88217	0.3
119.01379	11.5
121.02949	1.2
131.01366	0.7
147.00880	35.2
148.01193	0.9
165.01978	0.8
175.00362	14.9
175.03912	0.7
176.00682	0.6
186.95580	0.5
190.99860	1.1
191.03583	0.5
202.99852	62.4
204.00166	2.5
214.06297	0.4
218.99147	0.6
246.98817	100.0
247.99126	3.6
268.93661	0.4
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
59.01375	0.8
61.98830	0.6
63.02405	0.5
65.00314	0.8
69.43152	2.8
71.01367	0.4
75.02392	1.8
79.01886	0.6
83.47791	0.3
91.01894	13.1
93.03447	1.1
98.19905	0.7
103.01934	0.7
103.16483	0.5
119.01386	14.2
119.15819	0.5
121.02937	1.4
131.01398	0.7
131.39217	0.4
147.00879	35.0
148.01248	0.6
163.00389	0.5
165.01949	0.6
175.00371	14.0
175.03862	0.6
176.00897	0.5
184.00133	0.4
186.95625	0.6
188.04781	0.4
190.99884	1.6
191.03467	0.9
202.99850	62.4
203.10573	0.4
203.14297	0.6
204.00130	2.3
218.99368	0.7
219.02852	0.6
232.03703	0.4
246.98820	100.0
247.02361	4.6
247.13246	1.2
247.17085	0.8
247.99146	3.7
248.02809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30575	0.6
65.00314	1.0
71.16974	0.6
75.02399	1.9
91.01892	12.8
91.05566	0.6
95.01400	0.6
98.66216	0.8
119.01385	14.2
121.02944	2.4
147.00880	36.2
148.01228	1.3
174.98828	1.1
175.00349	16.3
175.03856	0.9
187.63075	0.6
187.87926	0.7
189.01918	1.4
190.02715	3.5
190.99841	1.8
191.03403	0.9
202.99855	62.5
204.00157	2.6
218.02167	2.8
219.03049	1.1
246.98820	100.0
247.02441	6.7
247.06029	7.5
247.13414	1.5
247.16980	0.7
247.99126	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	246.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43780	0.2
63.02409	0.8
64.83376	0.2
65.00328	0.9
65.38342	0.2
68.18056	0.2
68.99821	0.4
69.45981	1.8
75.02389	2.2
77.03946	0.3
79.01879	0.3
90.18365	0.2
91.01895	15.4
92.02204	0.4
93.03455	1.0
95.01393	0.7
101.58662	0.2
103.01930	0.6
105.34299	0.2
119.01388	15.5
120.01727	0.5
121.02970	1.5
131.01389	0.7
132.04410	0.3
137.02525	0.3
140.09201	0.2
147.00880	38.4
148.01222	1.3
159.00697	0.2
165.01915	0.6
175.00363	18.2
176.00618	0.5
184.17430	0.2
190.99841	1.7
191.03505	0.4
202.99855	65.3
204.00194	2.8
218.99228	0.3
226.89905	0.2
246.98827	100.0
247.99187	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	245.093
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02977	21.9
59.01368	2.0
63.19385	0.9
69.36235	8.4
69.71648	1.2
70.02979	15.2
72.00906	4.7
72.04540	4.2
74.02473	100.0
84.04481	0.9
96.10087	1.0
98.02477	21.6
110.68196	0.9
114.62443	1.0
116.03544	26.0
116.05065	32.9
130.06641	6.3
142.06636	8.5
145.02957	1.3
159.09265	7.9
183.09250	2.3
186.05630	1.9
201.01874	1.6
201.10330	8.9
203.08252	82.4
204.08620	3.4
217.01393	1.1
245.00887	5.1
245.04599	3.4
245.09311	69.1
246.09558	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04753	0.3
57.03442	0.8
59.01379	40.8
59.11742	0.3
69.22306	0.9
69.22712	2.6
83.44255	0.3
98.20641	0.8
108.56815	0.4
111.08150	0.5
113.09716	1.7
123.08152	0.5
125.09715	0.8
127.11255	1.7
139.11284	1.5
141.09215	0.8
142.06624	6.2
147.13373	0.4
155.10762	2.7
157.12332	18.7
158.06136	0.6
158.12671	0.7
178.16594	0.4
185.11823	14.0
185.13466	0.8
186.05634	1.2
201.11360	0.5
203.12869	100.0
204.06650	2.2
204.13203	3.7
245.04698	0.4
245.13947	4.8
259.76651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	41.5
65.29143	1.0
66.40694	0.9
71.05027	1.3
71.53216	1.4
73.62302	1.0
78.72829	0.9
85.01726	0.8
93.91386	1.0
97.55086	0.9
127.11262	4.5
137.99562	0.9
139.11230	1.3
147.50740	1.0
147.98296	0.9
155.10759	2.8
157.12340	17.2
169.25864	1.0
185.11813	16.7
203.12869	100.0
204.13153	2.8
217.01233	1.1
220.64584	0.9
241.80075	1.0
245.00911	1.3
245.14006	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	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
50.23125	0.7
57.03441	0.8
59.01385	1.0
67.01885	1.2
69.36449	6.0
69.36802	0.9
71.05029	1.7
71.10255	0.6
83.05022	1.0
89.03656	0.7
90.16894	0.7
91.22095	0.7
97.00909	0.7
97.02945	2.6
97.06616	0.9
99.00887	12.1
110.02466	1.0
110.03765	0.7
111.00919	3.5
125.09731	3.8
142.48985	0.8
153.12839	1.0
154.99838	1.2
155.14450	1.6
163.11290	5.5
170.22873	0.7
181.12335	15.1
197.11836	1.8
199.13408	26.3
207.10262	23.7
225.11324	51.3
226.11609	1.6
242.99333	1.0
243.02824	1.6
243.06804	2.1
243.12366	100.0
244.12741	3.3
245.63504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
53.42221	0.9
59.01378	100.0
67.75946	0.9
69.58200	1.9
69.58608	3.2
98.20620	2.0
111.00866	2.0
129.23956	1.0
133.89508	0.9
137.02473	0.9
139.11281	20.4
163.11284	3.4
166.90829	1.1
181.12347	31.4
182.12622	1.1
183.10268	22.6
199.13350	11.2
222.15536	0.9
225.11299	7.0
243.12349	64.3
244.12778	2.4
260.77396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
50.63804	1.1
54.57734	1.1
57.07688	1.1
59.01376	2.3
67.01876	1.1
68.90802	1.0
69.45528	2.4
69.45942	6.3
71.05013	3.7
76.78872	1.2
83.05010	1.8
87.10941	1.0
97.02936	7.5
97.06607	1.7
99.00875	25.7
109.06620	2.2
110.03710	2.5
111.00860	4.8
116.68893	1.3
125.09705	5.4
127.11198	1.4
135.08052	1.3
142.02748	2.2
155.14464	1.3
159.01837	1.2
161.09637	1.5
163.11313	9.3
181.12346	26.4
197.11835	1.6
199.13364	22.4
207.10243	52.4
208.10611	1.7
225.11307	100.0
226.11661	4.6
235.16652	1.1
243.06836	2.5
243.12350	97.0
244.12836	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	243.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.6
59.54676	1.2
65.03949	1.8
67.28706	1.4
71.01393	2.1
71.50793	1.8
81.03487	1.6
83.05002	3.6
87.00874	100.0
93.03461	10.0
96.76971	1.8
110.02468	7.7
111.00858	1.8
111.04495	7.2
125.19490	1.6
137.02432	6.4
137.55293	1.6
155.03490	1.4
199.06055	2.4
200.05615	2.6
228.75755	1.5
230.53139	1.9
243.05147	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
54.94899	0.8
55.71477	0.8
57.03454	7.0
58.70265	0.8
59.01382	7.0
61.71690	0.8
62.27005	0.8
69.31289	2.3
69.31699	5.6
71.05019	10.5
85.06576	9.2
87.04549	0.8
97.06600	1.7
99.08149	1.7
109.80015	0.8
110.02451	1.3
111.00861	4.5
111.08148	3.7
125.09721	7.8
139.11299	1.4
143.07129	2.7
153.12843	3.6
154.99796	1.0
155.10803	1.6
163.11244	0.9
181.12334	15.7
183.10223	1.6
197.11852	3.3
199.13388	100.0
200.13725	2.9
201.11328	5.5
225.11295	4.6
243.02962	3.0
243.06848	2.1
243.12357	44.0
244.12694	1.8
262.78458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29471	0.7
56.90397	0.8
59.01380	3.1
65.03962	3.2
67.01891	1.9
69.03452	1.8
71.01364	1.2
71.50653	0.8
81.03451	2.9
82.02995	0.8
83.01398	2.0
83.05019	9.9
85.02979	0.7
87.00877	100.0
88.01241	1.3
91.63776	0.7
93.03459	37.2
95.05040	0.9
99.00884	2.0
99.04488	0.8
104.27863	0.8
110.02466	2.4
111.00854	1.6
111.04519	9.9
111.08186	1.4
112.98833	1.6
119.05076	1.0
121.02933	2.2
123.57374	0.7
125.06075	1.8
127.04007	0.8
137.02443	29.0
137.06102	1.6
142.99892	1.6
155.03511	5.2
155.07083	2.1
173.00888	2.6
181.05081	0.8
199.04510	0.7
199.06082	3.9
200.05717	0.9
202.35309	0.7
209.69907	0.7
225.04053	1.3
243.05074	52.7
244.05479	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29471	0.7
56.90397	0.8
59.01380	3.1
65.03962	3.2
67.01891	1.9
69.03452	1.8
71.01364	1.2
71.50653	0.8
81.03451	2.9
82.02995	0.8
83.01398	2.0
83.05019	9.9
85.02979	0.7
87.00877	100.0
88.01241	1.3
91.63776	0.7
93.03459	37.2
95.05040	0.9
99.00884	2.0
99.04488	0.8
104.27863	0.8
110.02466	2.4
111.00854	1.6
111.04519	9.9
111.08186	1.4
112.98833	1.6
119.05076	1.0
121.02933	2.2
123.57374	0.7
125.06075	1.8
127.04007	0.8
137.02443	29.0
137.06102	1.6
142.99892	1.6
155.03511	5.2
155.07083	2.1
173.00888	2.6
181.05081	0.8
199.04510	0.7
199.06082	3.9
200.05717	0.9
202.35309	0.7
209.69907	0.7
225.04053	1.3
243.05074	52.7
244.05479	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.9
55.02928	1.7
58.00590	2.0
59.01379	100.0
65.04380	1.4
67.09474	1.7
71.01385	30.9
72.99281	2.2
73.02959	2.7
75.00880	7.5
78.52019	2.0
83.01392	3.5
85.02942	12.7
86.36454	1.7
87.00874	19.2
89.02443	31.1
97.02980	1.6
99.00856	5.1
101.02449	16.8
113.02457	6.6
116.36885	1.8
117.01905	3.8
119.03506	4.5
125.02460	3.0
131.03490	6.2
146.19353	1.8
149.04523	7.2
152.59682	1.7
161.04576	11.1
165.04044	23.3
179.05605	54.8
186.66176	1.6
210.48845	1.9
221.06662	13.5
239.07825	11.4
241.91190	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	241.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53560	0.7
54.56207	0.6
57.03447	1.1
61.98817	1.0
63.39053	0.7
64.24681	0.6
65.15582	0.6
68.55409	0.7
71.23306	1.3
81.03442	1.0
83.05022	4.5
95.05044	1.3
97.06588	9.5
111.08160	9.4
147.11761	2.1
163.11278	2.9
165.12840	100.0
166.13196	3.8
184.00201	2.5
197.15437	19.8
209.11729	4.3
241.04916	1.1
241.14317	1.6
241.18265	1.0
241.21672	1.3
261.35260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49981	2.7
57.53215	2.5
58.99592	3.0
59.01379	95.6
62.60037	2.7
69.56413	19.0
71.01386	8.4
71.60039	2.4
73.09464	2.9
83.01399	2.9
85.02949	9.8
87.00872	22.7
89.02451	3.3
95.01289	2.8
99.00854	4.1
101.02438	5.9
104.95658	2.6
107.77204	2.8
117.01892	5.3
125.02398	3.4
137.02377	2.9
137.31877	3.1
151.04070	3.5
161.04561	23.5
179.05612	100.0
221.06627	7.9
239.02155	3.5
239.05634	4.4
239.07729	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	237.0618
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
52.45462	0.6
57.03448	1.3
58.96588	0.7
59.01379	3.3
63.21716	0.7
66.46886	0.8
70.16454	2.1
71.01379	1.9
75.00875	7.8
78.95895	4.6
85.02947	1.9
87.00879	100.0
87.29012	0.7
89.02466	1.1
91.76013	0.6
101.02442	0.9
101.57587	0.7
105.40052	0.7
113.02502	0.6
129.01947	12.0
216.51682	0.8
237.06157	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	237.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45462	0.6
57.03448	1.3
58.96588	0.7
59.01379	3.3
63.21716	0.7
66.46886	0.8
70.16454	2.1
71.01379	1.9
75.00875	7.8
78.95895	4.6
85.02947	1.9
87.00879	100.0
87.29012	0.7
89.02466	1.1
91.76013	0.6
101.02442	0.9
101.57587	0.7
105.40052	0.7
113.02502	0.6
129.01947	12.0
216.51682	0.8
237.06157	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	236.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98800	0.3
69.75243	1.5
88.09365	0.3
99.21952	0.3
111.04540	0.4
134.03699	0.4
148.05296	9.4
149.06100	0.4
149.09694	1.0
156.67554	0.3
162.06764	0.3
176.08394	1.0
177.09195	43.2
178.09554	1.7
190.09990	1.7
190.80858	0.3
191.10782	0.9
192.11545	32.6
193.11870	1.5
201.09265	0.3
203.07115	0.8
217.08679	3.4
218.09460	8.6
236.10516	100.0
237.10898	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09155	0.3
59.01379	2.2
59.96741	0.6
60.97503	0.5
69.24106	2.6
70.75372	0.3
71.01326	0.3
74.99067	8.9
76.61816	0.3
79.61259	0.3
91.02212	1.0
93.00150	1.8
93.03451	0.3
118.63158	0.3
118.96213	1.7
134.99405	9.0
135.99409	0.4
136.97337	1.5
141.07420	0.5
143.05295	1.4
149.00954	71.9
149.09370	0.3
150.00934	2.2
150.98854	0.9
159.08470	2.3
161.06406	2.9
173.07639	0.3
178.10394	0.3
191.19189	0.3
196.53535	0.3
201.04050	0.5
215.05626	2.1
217.07199	100.0
218.07332	4.4
233.10329	97.3
234.10480	4.6
235.08342	0.3
249.83395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.0
59.01375	4.5
61.98831	100.0
69.03470	1.1
70.76481	2.1
71.01389	3.5
72.99320	2.4
74.02473	4.3
75.00882	8.9
84.05374	1.3
85.02959	2.5
87.00879	32.4
88.04055	1.7
89.02439	1.8
99.00920	1.2
101.02460	1.2
101.12678	1.0
112.04839	1.1
124.98815	1.2
127.03992	1.5
128.04361	3.8
129.01949	6.4
142.99841	8.6
146.04602	1.7
149.02422	1.8
156.03795	1.5
161.02431	4.0
163.25208	1.0
193.01511	1.3
200.02879	3.2
236.05530	1.1
236.32690	1.1
237.06139	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.90028	0.5
68.89642	0.4
69.39084	3.5
98.19925	0.8
99.04387	0.5
165.12840	1.2
167.14404	41.6
168.14803	1.0
180.67465	0.5
185.15454	1.2
211.13385	64.9
212.13734	1.8
229.14426	100.0
230.14702	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	230.0128
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
50.35782	0.9
52.23589	0.8
55.60783	1.0
59.01376	1.3
64.15939	0.9
66.03475	1.3
70.80478	1.9
70.80838	2.0
70.99605	1.1
73.01168	8.3
80.05059	2.7
82.02984	6.9
96.03960	2.0
96.04547	27.5
98.99097	4.6
108.04555	29.5
110.30419	1.1
114.00191	86.2
130.08687	1.8
142.03317	100.0
143.03696	2.1
186.02298	36.1
187.02539	1.3
187.10886	1.6
230.01262	72.5
230.15266	1.5
231.01534	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
62.87067	0.6
68.56377	0.7
69.59103	4.1
98.19877	0.8
117.25854	0.8
165.12839	22.1
166.13155	0.8
183.13892	100.0
184.14236	4.6
201.82170	0.6
203.95915	0.6
209.11836	1.6
227.12885	18.8
228.13127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28477	0.8
63.72084	0.7
64.59191	0.6
65.61031	0.8
70.28099	2.5
73.25474	0.7
73.85944	0.7
75.35317	0.6
77.66681	0.6
89.91094	0.7
111.08154	2.1
165.12848	17.5
166.13205	0.7
180.85921	0.7
183.13892	100.0
184.14200	3.8
209.11803	2.9
227.12883	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	227.1289
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
54.42019	0.4
57.03444	0.3
67.36560	0.4
71.01437	0.4
71.01766	0.6
71.05003	0.4
74.95046	0.3
80.02682	2.3
81.03448	1.8
83.05031	6.3
84.02163	2.9
93.03454	0.5
95.05031	1.1
97.06587	0.4
111.00881	0.4
111.08219	0.4
125.06081	0.8
125.09733	0.5
135.08163	0.8
163.11284	5.6
164.11594	0.3
165.12820	4.5
181.12294	0.8
183.13922	3.1
191.10774	1.5
209.11815	100.0
210.12143	3.5
227.07043	0.8
227.12817	3.3
227.20149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.51343	0.2
57.03448	0.4
57.57411	0.2
62.87455	0.2
69.66573	0.2
71.01424	0.2
71.53448	0.3
73.24686	0.2
80.71147	0.2
83.01428	0.2
95.01416	0.3
97.06585	0.2
111.00911	0.2
111.08130	1.0
130.95863	0.2
165.12836	18.8
166.13211	0.7
183.13892	100.0
184.14240	3.8
189.49167	0.2
191.10858	0.3
209.11819	2.3
227.03668	0.3
227.12868	17.2
227.20143	0.6
228.13170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
62.42964	0.6
67.01898	1.3
68.99803	0.8
69.46838	4.7
83.04997	1.0
95.01363	1.8
98.20633	1.1
103.17245	0.7
111.00886	2.1
111.08186	0.9
136.98790	0.8
137.02414	0.8
139.00383	1.4
139.11218	0.9
143.86446	0.8
150.98849	0.8
165.12846	16.8
180.83087	1.8
183.13893	100.0
184.14258	2.6
208.97232	0.7
209.11818	4.6
211.11700	0.7
226.98375	0.7
227.05243	0.8
227.07185	2.0
227.09308	1.0
227.12874	18.2
227.16559	2.5
227.20114	4.7
234.72899	0.6
240.18085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0196
Annotation	Isochorismate
Peak:m/z	Relative Intensity
57.37268	0.6
59.01370	2.4
63.29972	0.5
68.99801	0.6
69.83360	3.2
79.95732	0.7
80.99808	2.1
83.01389	2.9
92.99831	1.2
96.99307	24.3
99.00865	1.5
111.00872	1.0
112.01670	2.6
112.98789	2.0
123.00887	2.9
139.00327	0.9
140.01152	38.9
140.98286	1.2
146.09579	0.6
151.00354	2.4
152.98335	0.9
156.00612	2.3
168.00652	0.7
172.00127	2.0
183.13879	2.0
184.00273	0.7
196.79062	0.6
199.02431	2.2
227.01955	100.0
227.12839	0.9
227.20155	1.3
228.02330	3.0
241.90193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
65.00330	0.4
67.01884	0.6
69.54716	1.7
78.14397	0.2
83.01379	0.4
89.04002	0.3
91.02524	0.2
95.01393	0.4
111.00883	0.8
117.03463	0.3
120.34991	0.2
127.05532	0.4
129.03461	0.7
139.00333	0.4
139.05515	1.4
139.11302	3.1
140.01120	0.3
140.05922	0.2
141.03487	0.3
143.05058	0.3
145.02873	0.2
147.04471	0.4
152.67137	0.2
154.04245	0.8
154.99829	0.8
155.05019	2.1
157.02954	1.6
159.04533	0.3
164.98181	0.3
165.12787	1.1
169.81325	0.3
171.04486	0.9
182.02039	0.3
182.03708	10.9
183.04504	23.1
183.10278	0.5
183.13892	3.9
184.04810	1.0
185.02429	11.8
186.02658	0.6
189.31770	0.3
198.03207	0.3
199.04036	0.9
199.13309	0.3
209.02458	0.3
209.11824	1.2
214.77371	0.2
226.02702	1.4
227.03487	100.0
227.12822	4.0
227.20149	1.0
228.03813	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	225.004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47815	0.5
59.01379	1.1
59.90307	0.5
61.98824	4.8
65.00320	1.2
69.32583	2.5
69.33020	2.2
72.99304	0.7
76.31982	0.6
78.64691	0.5
79.95724	0.9
80.96538	0.7
81.03442	3.0
82.02988	1.6
91.01904	2.0
93.03463	5.5
96.95986	1.5
101.12649	0.5
103.99454	0.5
105.43458	0.5
109.02950	100.0
110.03295	1.7
111.00861	0.7
122.10942	0.5
125.02390	0.8
126.90498	1.3
135.04483	0.6
137.02443	93.1
138.02823	3.0
153.01967	1.2
163.00281	1.3
163.03993	0.8
163.11380	0.6
165.01949	3.1
167.03409	0.7
180.04265	2.0
181.01421	88.8
181.09874	1.3
182.01762	2.8
194.99321	1.1
195.02951	2.8
195.06606	2.0
206.99361	0.9
210.05327	2.5
225.00386	9.6
225.04146	2.1
225.07617	1.4
225.11212	1.1
225.92645	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	221.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81269	0.3
59.01377	1.4
69.50962	2.6
71.01363	0.4
80.22989	0.4
87.00883	0.8
87.02737	2.6
88.92989	0.4
94.15842	0.3
98.19058	0.4
108.68649	0.4
131.05344	1.7
133.06934	100.0
134.07300	1.9
149.30399	0.4
155.38213	0.3
202.70282	0.4
221.08519	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	223.1338
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
52.85072	1.2
57.03447	1.8
58.70357	0.9
59.01377	8.1
61.98822	2.5
65.00315	1.5
69.03470	5.5
69.17076	12.8
71.01382	2.3
71.05007	2.3
71.37717	1.1
74.99071	1.7
79.01839	1.3
85.06584	1.4
89.00307	3.1
95.05006	1.4
96.95999	4.6
98.20702	1.8
99.40723	1.1
101.02440	1.5
107.01387	1.9
109.06551	1.4
121.10322	1.2
123.00881	2.2
125.09731	1.3
141.09193	1.9
151.00337	1.8
151.03984	1.8
161.13351	1.5
165.01891	1.5
166.06311	4.4
167.10799	10.2
176.83698	2.2
176.98311	4.7
177.12798	1.8
178.99825	2.0
179.10750	4.0
179.14407	11.3
193.01404	7.4
194.99312	6.8
195.13898	31.9
205.12346	20.7
208.03716	6.3
222.98962	2.0
223.02820	8.8
223.06075	3.8
223.09904	3.5
223.13380	100.0
224.09286	1.4
224.13754	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	217.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26135	0.6
55.33260	0.5
57.03447	1.6
57.17635	0.6
59.01378	50.4
60.01714	0.5
63.29044	0.7
70.84778	1.3
72.99310	3.7
83.05018	5.6
85.02870	0.7
85.15116	0.6
93.03431	0.7
97.06564	0.7
99.08163	3.1
108.45321	0.5
111.04516	3.3
111.08127	1.1
115.04017	2.4
117.03459	1.1
127.04012	7.9
127.07636	1.0
129.05563	0.9
129.09215	16.8
145.02919	1.5
155.03496	5.2
157.08704	12.3
161.02417	0.9
173.02354	1.0
173.08205	0.8
175.09753	100.0
176.10048	1.9
189.01929	1.5
189.05612	1.3
189.78601	0.6
199.02440	3.6
202.02736	1.3
217.01392	2.7
217.03464	2.3
217.05080	2.7
217.10741	5.0
237.80096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
61.98814	0.4
71.00363	0.9
86.02496	0.6
87.02737	2.7
89.02454	0.4
93.03475	0.4
96.17263	0.3
111.04430	0.4
115.05874	0.4
117.07399	0.4
119.04996	0.5
130.06612	0.3
131.05350	1.6
133.06932	100.0
134.07249	1.6
135.04594	0.5
135.89111	0.3
137.02417	0.4
144.33775	0.4
149.06088	1.0
161.02467	0.6
177.05577	1.2
220.06357	0.4
220.10121	4.1
220.12712	1.8
220.17838	3.0
221.04524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0302
Annotation	3-Deoxy-lyxo-heptulosaric acid
Peak:m/z	Relative Intensity
55.01858	2.0
57.03444	6.0
57.45285	1.0
58.00582	1.4
58.99601	2.0
59.01380	69.8
60.99308	8.8
66.22738	1.2
69.03453	2.4
71.01011	2.0
71.01380	34.7
71.04988	1.2
71.50539	1.3
72.97482	1.4
72.99308	100.0
73.02943	13.3
74.96098	1.3
74.99094	2.8
75.00872	37.4
76.98784	1.6
78.98589	1.4
80.96527	1.6
81.03452	1.5
83.01394	6.6
83.05025	1.8
85.02949	24.9
85.27715	1.1
86.32767	1.1
87.00880	24.3
89.02444	21.3
89.03957	1.6
93.03448	1.7
95.01366	3.5
97.02961	6.3
99.00883	7.3
99.04488	5.0
101.02436	13.4
105.01917	4.2
109.02906	1.3
111.00884	6.6
111.04485	1.5
113.02477	8.0
115.00373	15.2
115.03995	1.5
117.01927	4.0
119.05005	1.7
121.02963	1.5
123.04511	1.6
125.02445	1.5
127.04018	1.6
129.01939	20.7
131.03493	8.8
133.01428	23.4
133.03108	4.2
134.04677	1.5
139.00362	3.5
141.01907	6.8
141.05495	1.5
145.01367	5.9
147.04578	2.5
148.96404	1.6
149.02353	2.4
150.94757	2.5
150.97987	4.7
159.02966	4.0
161.00877	2.1
161.04547	6.0
162.23824	1.2
166.97429	1.4
176.95984	1.2
177.01883	6.3
177.04082	2.3
177.05528	3.1
194.96910	1.4
203.01903	1.7
203.05634	3.5
206.02129	1.4
221.00945	3.1
221.02913	1.4
221.04643	4.6
221.06610	39.4
221.08768	2.0
221.18192	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	217.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
69.49422	4.4
69.49831	4.3
71.05010	6.9
72.99305	43.9
81.03460	9.0
83.05023	85.1
93.03470	4.2
97.02943	2.9
98.19986	2.4
99.04520	2.3
101.02446	2.2
101.61452	1.3
103.41335	1.8
109.02921	1.8
109.75359	1.2
111.04517	39.5
115.04001	35.3
127.04008	100.0
128.04308	2.0
129.05574	12.0
132.60069	1.5
133.02930	1.2
137.02415	3.7
155.03496	74.5
156.03806	1.9
169.45839	1.5
171.02945	7.9
173.04617	1.6
174.03247	3.1
189.04016	5.5
189.05521	2.0
199.02487	43.6
200.02835	1.8
202.02681	4.3
217.01559	1.4
217.03438	36.5
217.05046	3.7
217.10757	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	217.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79018	1.5
53.98675	1.6
54.74712	1.7
59.01363	4.6
66.09901	1.5
67.01899	2.2
69.03446	2.6
71.01382	5.7
71.05008	6.3
71.50702	1.8
71.51050	3.0
72.99307	46.5
73.66568	1.7
75.51280	1.5
78.69602	1.7
81.03471	10.9
83.05025	72.5
84.17007	1.7
87.00861	3.5
89.02444	3.9
93.03463	5.9
95.01389	2.5
97.02942	6.3
101.02429	2.6
109.02899	2.0
111.00866	3.2
111.04523	50.7
113.02463	1.9
115.04009	34.3
123.00855	3.1
127.04015	100.0
128.04359	2.4
128.52269	1.7
129.05602	8.9
137.02435	6.0
141.01961	3.1
155.03503	94.5
171.02931	4.2
173.04532	4.3
189.03993	4.0
199.02473	46.3
217.03519	23.6
217.07021	2.9
217.10753	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	217.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79018	1.5
53.98675	1.6
54.74712	1.7
59.01363	4.6
66.09901	1.5
67.01899	2.2
69.03446	2.6
71.01382	5.7
71.05008	6.3
71.50702	1.8
71.51050	3.0
72.99307	46.5
73.66568	1.7
75.51280	1.5
78.69602	1.7
81.03471	10.9
83.05025	72.5
84.17007	1.7
87.00861	3.5
89.02444	3.9
93.03463	5.9
95.01389	2.5
97.02942	6.3
101.02429	2.6
109.02899	2.0
111.00866	3.2
111.04523	50.7
113.02463	1.9
115.04009	34.3
123.00855	3.1
127.04015	100.0
128.04359	2.4
128.52269	1.7
129.05602	8.9
137.02435	6.0
141.01961	3.1
155.03503	94.5
171.02931	4.2
173.04532	4.3
189.03993	4.0
199.02473	46.3
217.03519	23.6
217.07021	2.9
217.10753	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	217.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20389	1.4
59.01378	68.0
60.88121	1.3
69.83257	7.7
71.01383	2.5
71.05023	7.8
72.99306	43.5
81.03458	9.7
81.86278	1.5
83.05025	77.1
84.05345	1.5
89.02402	1.5
93.03442	4.3
97.02953	3.0
98.20663	1.4
101.02441	1.9
109.02908	2.4
111.04523	38.7
114.07331	1.4
115.04008	39.8
127.04012	100.0
128.04330	1.5
128.21109	1.5
129.05585	12.4
132.98199	1.6
137.02438	6.0
144.81685	1.3
155.03500	77.8
171.02956	8.2
173.04475	2.0
174.99251	17.7
175.09714	6.2
189.04007	6.6
199.02466	41.8
217.00314	15.6
217.03497	36.6
239.79584	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	215.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97810	0.7
57.35339	0.6
57.38891	0.6
59.01377	40.9
59.18460	0.7
68.99799	0.6
71.01382	0.8
71.08451	0.7
71.08775	1.0
72.99306	1.9
73.02952	1.0
81.03466	0.9
83.05022	5.9
85.02969	0.6
93.03458	2.5
93.07129	4.1
97.06590	1.7
103.50553	0.6
109.06596	14.2
111.04522	11.7
119.92514	0.7
125.09733	2.1
127.07647	3.3
135.04515	0.9
137.06068	3.7
144.00893	1.8
153.09180	0.8
155.07155	6.0
171.10236	1.6
173.08183	100.0
174.08530	2.3
215.00996	16.0
215.03253	1.5
215.05409	5.5
215.07208	1.4
215.09116	7.5
215.12724	1.0
215.15053	0.6
230.28693	0.7
233.16936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1495
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01351	0.3
64.52995	0.3
64.76122	0.2
66.43645	0.3
69.27802	1.5
69.28221	0.9
77.23740	0.3
77.72916	0.2
94.80808	0.3
158.52495	0.3
167.14381	0.3
183.13889	28.9
184.14227	0.7
195.13893	25.0
196.14221	0.7
211.13400	0.7
213.14943	100.0
214.15312	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	215.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52967	0.5
57.03466	0.6
58.43628	0.5
59.01377	39.6
65.03944	0.7
69.61684	0.5
70.38058	0.5
70.52766	0.6
71.05029	0.8
71.51172	0.5
71.51580	0.8
72.99297	1.6
81.03465	0.8
83.05022	4.9
85.02942	1.1
85.06590	0.5
91.05550	0.6
92.86131	0.5
93.03443	2.2
93.07092	3.9
95.05019	0.5
97.06573	1.4
107.70496	0.6
109.02953	0.6
109.06590	14.1
111.04517	11.7
118.45087	0.4
125.09679	0.8
127.07621	3.1
129.05534	0.6
135.04538	0.8
137.06076	4.5
144.00891	2.3
153.09157	1.1
155.07150	6.5
161.14433	0.5
171.02005	0.6
171.04504	0.6
171.10242	1.4
173.08177	100.0
174.08548	2.9
178.12013	0.5
187.04028	0.7
215.01024	14.4
215.03438	1.0
215.05493	8.3
215.09071	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	211.9053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	20.9
59.44405	1.8
60.01702	5.0
61.98826	100.0
70.69267	3.6
70.69663	3.5
71.80571	1.7
78.95910	3.4
84.65841	1.7
103.92032	7.9
121.92266	27.3
122.89397	5.2
123.90195	6.9
126.89086	3.1
137.29890	1.9
141.91216	4.5
153.91490	2.9
165.91214	9.7
166.90852	1.7
167.91194	2.0
167.94080	8.9
168.90718	2.3
168.93825	1.9
176.98306	2.3
183.92311	25.8
184.90656	1.8
185.90408	2.3
211.13466	4.6
211.93076	4.7
212.07515	2.1
226.86960	1.5
229.00471	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	211.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.8
65.00313	0.7
67.01897	0.8
69.03450	1.2
69.31798	5.0
79.32012	0.6
79.88215	0.5
95.01363	2.5
104.38092	0.6
111.00842	0.7
111.08258	0.7
121.02917	0.7
123.00906	1.3
139.00435	1.1
145.62206	0.7
147.69377	0.5
148.01726	0.9
163.03955	0.7
164.98277	1.9
165.12910	0.7
167.10852	0.6
167.14435	1.4
181.04971	0.9
183.13898	13.8
192.97697	1.3
193.12346	5.1
196.03738	1.4
210.98785	0.7
211.13379	100.0
212.13676	4.1
224.46910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
60.01706	0.4
63.58311	0.5
65.30464	0.4
65.47621	0.4
66.21542	0.4
66.81049	0.4
69.03455	0.9
70.85773	1.1
81.65463	0.5
83.04996	0.5
83.07169	0.5
93.78539	0.4
95.01383	0.9
122.34095	0.5
161.32130	0.4
167.10770	1.3
167.14404	1.6
183.13904	15.8
184.14308	0.6
192.97804	0.6
193.12369	3.7
211.13393	100.0
212.13716	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	211.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82958	0.9
57.03440	2.9
59.01360	1.9
60.42746	0.8
61.98832	11.4
65.00327	2.2
67.01895	1.9
68.99816	1.1
69.03454	1.3
71.53782	0.8
79.01900	1.9
81.03461	3.0
83.05028	11.1
89.54407	0.9
92.99821	1.6
95.01383	9.1
95.05037	4.0
97.06583	25.1
109.06579	4.4
111.00883	2.3
111.08167	20.4
121.02981	2.0
123.00868	4.9
123.04583	1.1
123.08150	1.0
136.98761	1.1
137.09703	1.5
139.00323	2.4
147.11765	2.8
148.01614	1.0
148.98846	1.3
149.09697	1.8
153.05585	1.2
154.06421	1.6
163.04028	1.2
163.11269	7.7
164.98276	3.9
165.12849	100.0
166.13188	2.3
166.99826	2.7
167.06166	1.4
167.14400	4.7
181.05067	1.5
183.13907	2.3
192.97844	4.4
196.03802	1.3
209.11771	7.4
210.94954	1.7
210.98943	1.5
211.06203	1.4
211.09592	1.2
211.13403	13.9
229.76192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
57.17704	0.5
58.47587	0.5
59.01377	0.6
61.21256	0.5
69.23386	3.6
69.23808	1.4
80.02640	2.3
81.03463	1.9
83.05025	9.2
89.03133	0.5
92.99812	2.4
93.03473	0.7
94.43048	0.5
95.05026	1.5
110.73061	0.6
121.02953	10.6
125.06111	0.8
135.08179	1.2
136.98830	1.1
148.92447	0.6
151.03999	0.7
161.02454	1.5
163.11273	7.3
164.98268	1.5
165.05479	0.6
165.12840	4.4
173.79745	0.5
176.04720	0.7
179.03491	1.6
181.12363	1.0
191.10825	2.1
194.05800	1.4
209.04529	2.0
209.11821	100.0
210.12125	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13830	0.1
59.01373	0.2
61.98829	100.0
65.32979	0.1
70.87417	0.2
78.95914	0.1
94.03004	0.2
118.57434	0.1
122.03287	0.1
124.04053	0.5
137.94467	0.2
140.48286	0.1
163.95607	0.2
164.05495	0.1
164.96436	0.4
166.91138	0.1
185.50479	0.1
202.57408	0.1
209.94885	29.7
210.07741	0.2
210.94942	1.1
223.34778	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	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01380	100.0
65.00336	1.4
69.37061	1.0
69.37464	4.4
80.05433	0.7
81.03463	1.6
85.39369	0.6
92.99807	4.0
93.03478	1.4
95.95494	0.7
96.96032	1.1
97.06604	1.4
109.06609	2.2
117.62402	0.7
120.11562	0.8
121.02956	12.4
121.03757	1.0
124.03996	1.0
136.98822	2.0
137.02441	0.8
141.25975	0.7
164.98250	3.5
165.12874	3.0
176.04662	0.9
179.03508	1.3
188.78795	0.7
194.06032	1.3
198.56703	0.7
208.97281	0.7
209.04588	1.8
209.08405	1.5
209.11798	16.2
209.99931	0.7
228.24371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21754	0.6
69.61153	4.0
77.04003	0.9
78.51486	0.6
84.67696	0.6
85.11246	0.6
90.37966	0.6
91.01896	0.7
93.03475	1.8
95.05029	1.8
105.03453	9.6
117.03419	0.8
120.02171	1.1
121.02957	36.3
123.04517	1.0
133.02957	5.0
146.00722	0.6
147.04538	0.6
150.03233	2.2
151.04001	31.0
151.55943	0.6
152.04355	1.1
161.02437	62.7
162.02818	1.9
165.00375	0.6
165.01924	1.2
176.04776	29.2
177.05188	0.7
179.03491	100.0
180.03839	3.5
191.07143	11.3
193.05011	0.7
194.05829	82.8
195.06172	2.4
209.01289	0.6
209.04626	5.1
209.08174	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	209.1181
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
56.68871	0.5
59.01371	1.7
61.98831	4.5
65.00338	3.6
80.02685	3.1
81.03444	1.8
83.05024	9.3
92.99821	12.1
93.03452	1.0
94.02975	0.9
95.01376	1.2
95.05015	1.4
109.06554	0.8
121.02952	33.8
124.04022	2.4
125.06050	0.9
135.08186	1.3
136.01674	0.9
136.98804	5.2
137.02400	1.0
161.02498	1.2
162.64116	0.6
163.00441	0.7
163.11278	8.1
164.98280	10.9
165.01900	0.7
165.12831	4.3
179.03546	0.8
181.12300	1.4
190.60683	0.6
191.00002	0.6
191.10771	2.4
194.05789	1.3
208.97250	2.1
209.00883	1.7
209.04564	5.2
209.11813	100.0
209.94905	1.7
210.12080	2.5
210.13878	0.6
211.73289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
65.69571	0.2
66.26807	0.2
67.12666	0.2
69.16961	1.3
69.17393	0.8
77.03975	0.5
93.03445	0.4
95.05016	0.4
105.03457	5.2
109.91611	0.2
119.01401	0.3
122.90675	0.2
123.04543	0.5
133.02953	37.7
134.03273	1.0
135.04486	0.5
146.93065	0.2
149.02438	2.6
151.04066	0.5
160.01627	0.3
163.00342	0.4
163.03940	0.3
164.04793	2.8
174.89342	0.2
177.01927	14.7
178.02255	0.4
192.04272	100.0
193.04593	2.7
207.06610	19.5
207.13901	0.8
208.06970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0665
Annotation	alpha-D-Mannoheptulopyranose
Peak:m/z	Relative Intensity
55.01859	3.8
57.03449	25.7
58.00586	1.6
59.01107	1.6
59.01376	21.6
68.99815	2.8
69.48264	7.5
70.81732	1.0
71.01387	31.3
72.99316	6.9
73.02936	2.6
74.79620	0.9
75.00867	4.7
80.96488	1.5
83.01382	6.4
84.02147	5.2
85.02951	100.0
86.03293	1.6
87.00877	28.7
89.02456	9.6
91.50488	1.0
93.03443	3.9
97.02947	2.2
99.00886	9.6
101.02442	4.4
103.00385	1.4
109.04909	1.1
111.00880	8.9
112.98816	18.4
115.00338	2.4
115.04033	1.3
121.02946	11.2
121.06572	1.9
124.98820	5.1
129.01945	31.0
133.01445	5.8
137.02406	4.3
140.98232	1.7
141.01903	1.6
142.99860	69.0
147.02913	2.8
159.02948	7.8
165.01920	4.0
165.05507	1.4
173.00896	17.8
191.01968	13.6
191.05603	1.7
209.01051	2.4
209.03004	13.4
209.04977	1.7
209.06630	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.1
61.98828	100.0
62.98533	0.2
63.99261	0.1
68.13708	0.1
71.01326	0.1
71.50189	0.1
77.02614	0.1
79.67774	0.1
107.05047	0.1
122.46564	0.1
123.04508	0.1
133.03020	0.1
135.04538	0.1
143.42661	0.1
143.86473	0.1
149.02435	0.2
153.51944	0.1
162.98462	1.4
164.96394	0.3
177.01927	1.0
192.04279	1.1
203.20767	0.1
206.78893	0.1
206.97438	7.1
207.02931	0.2
207.06631	0.3
207.97507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0662
Annotation	Sinapoyl aldehyde
Peak:m/z	Relative Intensity
50.28288	0.4
50.80010	0.4
52.33776	0.5
53.42913	0.5
58.84845	0.4
69.22367	1.1
69.22782	3.4
91.01902	0.6
108.02161	1.0
109.02879	0.5
116.27205	0.5
121.02959	1.5
122.19046	0.6
123.04514	1.5
124.01637	1.3
134.03764	2.4
135.04523	100.0
136.04956	1.7
145.02934	0.6
146.03717	1.2
147.04523	1.6
148.05328	2.7
149.02423	1.2
149.06001	0.8
150.03220	1.0
151.03957	2.5
161.02383	0.8
161.06001	0.5
162.03214	4.4
162.43813	0.5
163.04001	13.7
164.04793	7.0
173.02504	0.6
174.03218	10.2
175.41177	0.5
177.01935	4.9
177.05554	5.0
179.07153	1.1
189.05597	1.9
191.03513	1.1
192.04274	20.0
193.04623	0.6
203.63835	0.5
207.06635	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	206.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	37.0
62.58280	0.8
69.44685	5.1
69.45102	2.7
70.02979	11.1
72.00909	6.2
91.05534	14.1
93.08282	0.8
98.20716	1.6
103.05518	1.4
111.81226	0.9
135.04538	6.2
147.04517	40.0
148.04852	1.5
162.09190	1.0
164.07156	100.0
165.07481	3.3
192.04210	2.3
195.22375	0.8
206.08226	40.0
206.12480	1.1
207.06580	0.9
207.08519	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
55.49643	0.1
55.71569	0.2
58.20840	0.2
59.01375	0.2
66.96757	0.1
85.02905	0.2
98.20629	0.6
109.66591	0.2
115.00335	0.2
115.15816	0.1
125.38521	0.2
148.14316	0.2
153.34308	0.1
153.58638	0.1
162.89372	0.2
189.12830	1.5
191.36830	0.1
205.15961	100.0
206.16327	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	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
52.43544	0.7
55.38242	0.8
58.02973	32.3
69.20587	5.4
69.21001	2.9
70.02972	11.7
71.14417	0.8
72.00897	4.9
91.05531	13.5
103.05537	2.7
135.04501	2.5
144.50854	0.8
145.89510	0.8
147.04524	34.5
148.04774	0.9
153.76720	0.8
162.09244	1.0
164.07156	100.0
165.07449	2.4
203.58446	0.9
206.08202	31.1
207.08470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	8.4
57.03438	5.6
58.00604	3.4
59.01380	75.6
63.59295	3.3
68.99814	8.1
69.77088	14.0
70.21246	3.6
71.01380	81.1
72.99310	43.4
73.02938	10.1
75.00868	35.4
78.14540	3.5
83.01399	13.2
85.02936	6.3
87.00877	33.8
89.02439	19.2
96.99334	6.5
98.20589	3.6
99.00878	49.6
101.02437	4.2
103.00363	5.6
106.32483	3.2
110.16133	3.3
111.00880	22.5
111.02214	4.3
112.98815	100.0
115.00372	87.8
117.01940	13.6
124.98813	13.9
127.00299	8.9
129.01927	14.0
131.50072	3.8
142.99863	21.9
145.01427	22.7
154.99875	15.3
173.00899	8.2
175.02502	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.0
56.20261	3.7
57.03442	11.0
59.01377	100.0
67.01895	9.7
68.99820	17.2
71.01382	97.6
71.05019	7.8
71.51607	4.8
72.99305	45.3
73.02960	22.0
75.00867	45.6
83.01378	21.0
83.05024	7.5
85.02940	6.6
87.00874	63.9
88.98799	5.2
89.02440	8.5
96.99329	5.8
99.00883	55.5
99.04510	22.5
101.02452	33.1
103.00377	7.5
111.00882	66.2
112.98805	78.5
115.00370	94.8
115.03986	10.8
117.01924	16.1
124.98788	12.8
125.02452	57.2
125.06033	4.5
127.00371	10.1
129.01953	19.3
142.99864	24.0
143.03474	11.5
143.07144	4.0
145.01425	45.7
145.04988	3.6
154.99831	16.3
173.00925	8.1
175.02473	7.8
187.02504	19.5
187.06134	4.1
205.03577	24.0
205.07129	6.2
205.09241	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	203.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00428	0.1
54.01647	0.1
56.67946	0.1
59.01376	3.6
60.01709	1.4
61.01812	0.3
61.98829	100.0
62.02134	0.1
62.98518	0.1
70.65488	0.2
70.65857	0.2
75.02036	0.1
93.07520	0.1
99.18862	0.1
115.00427	0.2
160.03625	0.1
166.56761	0.1
203.99968	0.9
204.02670	0.6
205.05142	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	204.0664
Annotation	Indolelactic acid
Peak:m/z	Relative Intensity
51.83517	0.9
55.40567	0.8
59.01348	1.3
61.67922	0.8
69.20661	8.3
69.25295	0.9
72.98890	1.5
72.99308	28.6
75.00864	1.3
80.91642	1.3
87.00875	1.2
98.19849	1.8
116.05061	35.9
128.05060	23.9
130.06625	24.7
132.04546	4.3
142.06616	36.4
144.04567	5.1
146.06085	1.4
156.04547	1.0
156.11017	1.3
157.05263	1.0
158.06107	87.1
158.12663	4.8
159.06470	2.6
172.04051	2.7
186.05603	33.7
203.63614	0.9
204.06645	100.0
204.13153	8.9
205.05127	1.3
205.06973	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	203.1288
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
55.78129	0.3
57.03448	3.9
59.01391	0.8
62.98349	0.3
65.97190	0.3
68.69821	0.3
71.05020	0.6
72.99301	1.4
80.61639	0.3
83.05042	0.4
91.94132	0.3
98.20660	0.9
103.92054	0.4
104.97775	0.3
111.08150	1.4
113.09725	4.8
116.05054	1.7
123.08150	1.1
127.11287	5.0
128.05064	0.7
130.06630	1.1
131.05084	0.3
137.09724	0.9
139.11295	1.8
141.09233	2.2
141.82617	0.3
142.06607	1.3
155.10774	9.3
156.11090	0.3
157.12335	46.6
158.06105	3.0
158.12672	1.1
159.04514	0.4
175.04028	0.4
185.11823	0.6
186.05591	1.5
201.11325	1.1
203.12871	100.0
204.06633	4.2
204.13203	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	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55382	0.3
57.96571	0.4
59.01381	100.0
70.96409	0.9
109.28942	0.4
136.61969	0.4
149.34126	0.4
157.03575	6.8
157.04762	0.7
159.01506	2.0
201.02563	12.0
202.02904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03449	6.7
59.01368	1.0
62.47548	0.7
71.02472	0.7
84.79025	0.7
98.19823	1.1
99.75236	0.7
110.80207	0.7
111.08145	3.6
124.11646	0.9
137.09706	2.9
139.11292	100.0
140.11613	2.7
155.58379	0.7
157.12349	1.6
183.10251	49.5
200.90269	0.8
201.11316	85.2
202.11652	3.0
217.75623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01377	2.2
69.90317	2.2
69.90711	1.3
72.00907	21.2
74.02469	30.2
101.28012	0.9
103.92030	1.1
104.86552	0.7
116.05059	100.0
116.33295	0.9
117.05400	2.3
130.06578	2.3
137.66113	0.9
142.06615	28.1
147.41780	0.8
157.07777	1.0
159.09265	17.2
165.72145	0.9
186.05588	3.4
191.53323	0.8
203.03439	2.3
203.08244	60.3
204.08560	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	200.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55245	1.3
56.82203	1.5
59.01382	33.5
61.98817	6.3
70.02969	4.4
71.01379	6.3
72.99291	5.8
83.05054	2.5
84.04558	3.8
86.02425	1.4
87.00864	1.8
87.92507	2.2
94.06637	3.3
95.05022	9.0
97.01740	2.2
98.02473	18.3
103.92075	1.7
108.04552	4.0
110.02483	26.6
110.06110	5.7
111.04543	4.7
112.04042	13.5
112.07676	9.0
123.03248	2.6
124.04046	7.9
126.05619	7.3
136.04047	9.3
138.05618	21.1
150.07187	1.5
154.05093	28.9
155.03482	5.5
156.02220	2.2
156.06660	25.9
172.06137	4.9
174.03305	7.2
175.02921	1.9
182.04558	40.1
195.16685	1.5
196.41174	1.6
200.01175	4.7
200.05640	100.0
201.02557	3.1
211.17513	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	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03430	0.3
59.01353	0.3
67.01891	0.5
69.03468	0.3
70.99813	0.2
71.40736	0.5
80.84187	0.2
83.05025	0.4
111.00914	0.3
112.01440	0.2
137.09735	5.7
138.10078	0.3
155.10779	100.0
156.11098	2.3
181.08707	1.0
182.09375	0.2
199.09760	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	199.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69609	0.8
56.78643	0.8
57.08884	0.9
59.01385	1.0
67.01883	1.4
69.32915	0.8
83.01384	1.3
83.04985	1.0
83.71120	0.8
92.99825	2.0
99.00872	1.4
111.00838	2.5
127.00356	1.7
137.09749	5.6
155.10786	100.0
156.11095	1.3
180.97836	1.0
181.08704	1.3
199.09744	8.9
199.13406	2.2
199.16991	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
61.64104	0.5
61.98846	1.4
65.00316	1.1
67.88869	0.6
69.03470	1.0
70.28110	1.8
70.28466	0.6
71.05031	0.7
83.01380	0.7
97.02967	0.7
97.06590	14.7
99.08163	4.0
103.97704	0.6
109.02927	1.2
109.06620	1.1
110.00074	0.7
111.08176	1.0
121.02943	1.2
122.03735	2.6
123.00900	2.9
123.04549	1.0
125.02451	1.2
125.09761	0.9
126.03245	1.1
126.90514	2.3
129.54427	0.6
137.02412	0.8
137.09706	1.8
138.03210	1.1
151.11253	0.7
153.01904	0.6
153.12852	100.0
154.13167	2.2
160.84196	6.8
161.84225	1.2
162.83917	21.9
165.12842	2.1
166.99831	1.5
178.99899	0.9
179.10777	21.7
180.11150	0.8
182.02223	4.8
197.02213	1.4
197.04539	1.7
197.08118	1.0
197.09975	0.9
197.11823	7.0
197.80794	10.8
205.96840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1546
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
51.61735	0.9
51.85280	0.8
53.88953	0.7
57.03445	2.8
59.01360	0.9
61.98825	0.9
65.00316	2.0
65.28339	0.8
69.03432	0.9
69.25515	8.0
69.63848	0.8
71.05033	1.0
72.74226	0.8
80.02674	1.5
81.03458	3.7
83.05031	10.9
93.03458	1.3
93.62020	0.9
95.05024	5.5
95.05531	0.9
97.06589	25.6
109.02932	1.9
109.06585	3.1
110.13413	0.8
111.08163	23.1
121.02982	1.0
123.00872	3.7
123.08150	0.8
125.02453	0.9
126.90502	3.1
137.09755	1.6
138.03239	1.0
147.11790	2.0
149.09714	1.6
153.01932	1.6
153.05484	1.5
153.12863	1.4
160.84227	7.1
162.83900	19.8
163.11307	8.5
165.12843	100.0
166.13162	2.6
166.99893	2.1
178.99838	1.5
179.03441	0.8
182.02185	5.7
195.43288	0.8
197.02054	0.9
197.04523	2.1
197.06155	1.2
197.08130	0.8
197.15388	2.3
197.80789	9.7
209.11826	3.6
214.75034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0662
Annotation	Isosafrol glycol
Peak:m/z	Relative Intensity
58.00592	17.8
59.01376	11.1
61.98828	2.7
69.57687	5.9
71.01376	5.1
75.00874	13.3
80.96483	1.7
83.01376	1.5
85.02947	1.3
87.00870	6.1
89.02426	1.3
92.90521	1.0
93.03453	3.2
95.01369	1.3
99.00871	1.8
105.01945	7.6
107.05031	10.4
108.02164	4.6
109.02946	3.2
111.00841	1.3
121.02959	46.9
122.03753	24.5
123.00859	4.2
123.04509	4.6
124.01640	2.7
128.18974	1.2
129.01942	6.3
132.54472	1.2
133.02890	1.9
136.01639	1.6
136.05252	1.3
137.02466	5.4
137.06088	2.3
147.03035	2.0
150.03212	22.7
151.00322	1.8
151.04021	11.4
151.75972	1.2
152.91774	1.6
154.02698	4.2
159.03011	1.6
162.03215	1.4
163.03963	3.7
165.01895	3.9
165.05566	19.5
177.04083	2.2
179.44847	1.1
180.04279	100.0
181.04590	2.3
194.99364	2.2
195.03020	3.3
195.05023	11.1
195.06609	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
54.32972	0.6
59.01379	5.1
61.98828	1.7
65.00306	1.4
67.01897	0.8
69.39635	0.8
69.40038	4.3
71.01385	0.9
75.00889	1.1
78.66213	0.6
79.01910	0.8
89.00340	2.7
95.01401	1.9
95.05009	0.6
103.92020	2.6
105.01945	0.7
107.01376	1.2
109.02949	1.3
111.00874	1.2
121.02951	2.4
123.00893	4.9
123.04533	2.3
125.02470	1.0
126.09672	0.6
129.01971	1.1
131.04829	0.6
135.04468	0.9
136.05336	2.1
137.02429	3.1
139.00391	0.6
141.39214	0.6
150.03186	5.6
151.00348	2.5
151.03989	3.0
151.07689	1.5
158.84764	0.6
160.84210	38.5
165.01933	4.7
165.05525	2.3
166.99742	0.8
176.89494	0.9
176.98277	2.5
177.12846	4.4
180.04330	7.1
194.90591	1.5
194.99318	4.2
195.02965	2.6
195.04681	1.8
195.06683	3.7
195.13895	100.0
195.81078	14.9
196.14238	2.6
203.69661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0297
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
59.01370	0.5
67.01875	1.5
68.99812	0.5
69.21893	4.9
75.00863	0.8
83.01385	2.4
93.03454	0.5
95.01373	3.9
97.02962	0.5
107.01424	2.9
107.05015	0.9
108.02160	5.8
109.02944	0.5
111.00878	13.4
121.02914	0.7
122.03732	1.7
123.00888	25.8
123.04530	1.3
124.01665	27.2
135.00816	2.5
136.01616	1.2
137.02400	2.5
139.00368	3.2
149.02425	0.8
150.03232	7.1
151.03952	1.3
152.01151	4.2
165.01907	1.0
165.05556	4.5
167.03490	7.3
177.05548	0.7
180.04251	2.0
195.02977	100.0
196.03278	3.4
196.62997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
61.08586	0.3
69.17516	1.1
69.17939	1.6
71.01387	0.5
73.39868	0.3
82.67516	0.3
93.03452	1.0
103.74849	0.3
106.04240	0.7
109.02929	0.4
111.00876	0.5
121.02956	2.5
121.10378	0.3
122.60506	0.3
133.02960	19.4
134.03748	19.1
135.04102	0.8
136.01672	0.4
137.02444	13.8
138.02805	0.5
139.04001	4.6
149.02534	0.5
149.06024	0.5
150.03217	1.9
161.02448	27.9
162.02795	0.7
165.01904	0.3
178.02716	5.5
193.05051	100.0
194.05368	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
59.01384	1.4
69.16404	1.5
69.16833	1.2
71.01385	1.4
73.02961	0.8
78.88231	0.3
83.01393	0.7
85.02953	1.5
87.00898	0.6
89.03970	4.0
93.03452	0.9
95.01361	0.3
97.02982	0.5
98.20774	0.5
99.00874	0.6
101.02458	0.9
106.04231	1.5
109.02982	0.6
111.00889	0.5
117.03470	7.9
117.04292	0.5
118.03860	0.3
121.02940	1.6
133.02977	1.6
134.03740	100.0
135.04060	3.0
136.01636	0.3
137.02441	7.0
139.04036	1.9
149.02481	0.7
149.06078	9.9
150.03189	1.0
150.06531	0.3
161.04549	0.9
175.06052	0.4
178.02708	25.2
179.03059	1.2
193.01367	0.6
193.05019	14.8
193.06839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0428
Annotation	3-Methoxy-4-hydroxy-trans-cinnamate
Peak:m/z	Relative Intensity
51.02385	0.4
53.15952	0.5
57.27412	0.4
59.01370	1.8
61.98830	1.8
63.16283	0.4
65.00327	0.7
69.03478	0.4
71.01387	1.6
72.99328	0.5
73.02938	1.1
77.03980	3.8
83.01414	0.7
83.23775	0.5
85.02960	2.1
86.00094	0.4
86.03281	1.2
87.00870	1.8
88.01212	0.9
89.03979	1.0
93.03476	0.6
94.26169	0.5
95.05030	4.4
97.02955	0.8
99.00880	1.1
101.02432	2.2
105.03465	27.0
111.00887	1.0
112.01201	2.6
121.02937	2.6
123.04533	1.8
132.02187	0.7
133.02962	100.0
134.03685	3.3
137.02432	1.0
139.03983	0.6
145.86253	6.7
149.02429	5.9
149.06087	0.7
151.04051	0.4
161.02472	1.7
161.04556	2.2
163.87331	1.2
164.04800	5.6
177.01929	25.6
178.02711	4.2
191.85529	0.5
192.04298	62.6
193.05005	6.8
193.07190	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	191.0562
Annotation	Quinic acid
Peak:m/z	Relative Intensity
54.15150	0.2
56.43472	0.2
59.01381	2.8
67.01885	0.6
69.03461	0.6
70.17540	0.7
71.01382	1.5
73.02944	1.0
80.16373	0.2
81.03457	0.9
83.05035	0.8
85.02950	20.0
86.03267	0.3
87.00882	3.9
93.03462	6.2
95.01350	0.2
99.00871	0.3
99.04529	0.9
101.02418	0.4
109.02949	1.7
111.00881	0.4
111.04512	2.4
113.02456	0.3
127.04000	4.0
155.03493	0.3
171.02969	1.3
173.04530	2.2
173.34015	0.2
182.17734	0.2
191.05608	100.0
192.05951	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Quinic acid
Peak:m/z	Relative Intensity
54.10631	0.3
57.03433	0.5
59.01379	3.5
67.01884	1.0
69.03463	0.8
69.34389	0.3
71.01379	2.3
73.02940	0.9
80.76186	0.3
81.03455	1.0
83.01420	0.4
83.05035	0.9
85.02951	22.5
86.03308	0.4
87.00877	5.3
93.03455	7.7
95.35329	0.3
98.19842	0.5
99.04514	1.0
101.02491	0.4
109.02930	1.8
111.00880	2.2
111.04510	2.6
122.14760	0.3
127.04014	4.2
137.02452	0.3
140.65338	0.3
155.42062	0.3
164.63152	0.3
171.02954	1.5
173.04538	2.4
191.05609	100.0
191.71054	0.3
192.05969	3.5
200.60629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03438	0.7
58.05883	0.3
59.01382	3.1
63.06128	0.3
66.43549	0.3
67.01883	1.4
69.03445	0.9
69.62019	0.9
69.62431	0.7
71.01378	2.1
73.02939	0.9
74.25933	0.3
78.72902	0.3
79.99889	0.2
81.03452	1.0
83.01378	0.4
83.05022	1.2
85.02948	25.1
86.03281	0.5
87.00872	6.2
93.03454	8.0
94.03792	0.3
95.01369	0.3
95.64950	0.3
97.20678	0.3
99.04510	1.0
101.02466	0.3
109.02953	2.2
111.00880	2.5
111.04517	2.1
113.02451	0.3
125.02477	0.4
127.04015	4.6
127.75403	0.3
137.02480	0.4
145.15300	0.3
155.03493	0.5
166.08385	0.3
171.02965	1.4
173.04529	2.5
191.05603	100.0
192.05957	2.6
194.93393	0.3
210.33179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03423	0.4
57.96961	0.3
59.01378	3.3
67.01895	0.9
69.03465	0.7
69.20990	2.4
69.21379	0.5
70.14030	0.2
70.32771	0.2
71.01391	2.1
73.02940	1.0
75.33279	0.2
81.03447	1.2
83.05023	1.2
85.02949	23.0
86.03299	0.5
87.00877	6.1
93.03457	8.0
99.04501	0.9
101.02478	0.3
109.02953	1.9
111.00872	2.0
111.04527	2.6
113.91333	0.3
121.58029	0.3
127.04009	4.2
131.47984	0.3
150.18903	0.3
150.52542	0.3
171.02988	1.2
173.04538	1.7
191.05606	100.0
192.05942	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	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
59.01385	3.1
67.01884	1.5
68.66210	0.4
69.03444	0.7
69.86395	1.7
71.01387	2.1
73.02953	0.9
79.87688	0.3
81.03454	0.9
83.05058	0.7
85.02950	28.7
87.00876	19.8
93.03458	6.6
98.19960	0.6
99.00832	0.5
99.04499	0.8
101.02434	0.4
109.02942	1.7
111.00880	39.1
111.04512	2.1
112.01225	0.8
112.98824	1.0
127.04025	3.9
129.01976	2.2
153.74553	0.4
155.03534	0.5
165.32095	0.4
171.02954	1.1
171.78641	0.4
173.04517	2.5
191.02065	4.4
191.05606	100.0
192.05986	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	191.0562
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
53.79390	0.4
57.03445	2.3
59.01377	4.1
59.27929	0.4
67.01888	2.0
69.03448	0.6
70.06094	1.5
71.01394	2.9
72.99284	0.4
73.02948	0.8
77.24586	0.4
81.03470	0.9
83.05022	1.4
85.02953	34.0
86.61282	0.4
87.00880	20.7
93.03458	8.0
99.04538	0.9
101.02402	0.5
109.02965	1.8
111.00884	33.5
111.04503	2.7
112.01256	0.7
119.88796	0.4
126.92189	0.4
127.04025	4.9
129.01959	2.0
130.99940	0.5
155.03557	0.4
171.03008	1.4
173.00961	0.7
173.04543	1.7
191.02087	4.1
191.05612	100.0
192.06013	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	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27377	0.5
52.29298	0.6
57.03447	7.6
59.01376	4.0
67.01894	4.7
69.29777	4.4
69.30166	0.9
71.01380	2.5
73.02931	1.2
81.03425	0.7
85.02953	49.7
86.03288	0.9
87.00877	53.5
88.01241	0.6
93.03454	5.7
98.20600	1.2
99.00874	0.7
99.04496	1.1
101.02436	0.7
109.02942	2.0
111.00882	100.0
111.04498	1.4
112.01245	1.5
112.98785	0.7
123.48517	0.5
127.03973	3.0
129.01936	5.8
130.99849	0.9
171.02924	0.9
173.00879	1.2
173.04564	1.5
191.02017	9.0
191.05609	74.2
192.05952	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	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
54.56810	0.3
57.03434	1.2
59.01369	1.0
59.75874	0.3
61.98820	0.6
66.48811	0.3
67.01868	0.5
69.23277	0.6
69.23682	2.4
71.01368	0.7
77.03971	0.3
79.21904	0.3
83.05029	0.4
85.02950	8.5
87.00874	8.0
91.01868	0.3
93.03442	1.5
101.02445	0.4
102.37329	0.3
111.00877	15.2
112.01310	0.3
119.01430	0.3
119.05016	1.5
121.02951	100.0
122.03282	2.0
127.04007	0.8
129.01942	1.1
135.04555	0.3
139.99728	0.3
140.00984	0.3
144.86557	0.4
145.86243	1.2
147.00830	0.3
147.04504	5.8
163.00322	0.5
163.04013	1.2
173.00905	0.5
176.01132	0.5
191.01941	1.5
191.03525	9.4
191.05615	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	187.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77949	3.7
55.01863	7.1
57.03448	4.6
59.01377	22.5
67.01884	4.9
68.99803	42.8
71.01373	13.7
71.05018	12.1
72.99285	4.8
81.03452	18.7
81.07082	4.7
83.01382	9.7
84.02164	14.1
85.02951	62.7
87.00877	4.3
90.53550	3.4
97.02933	6.4
97.06598	10.3
98.02459	9.5
99.00859	22.5
99.04514	43.1
101.02441	4.5
111.00857	5.0
113.02482	3.7
113.06080	4.9
115.03999	17.0
115.05510	5.8
116.03527	8.2
117.13062	4.1
125.02441	46.6
125.06071	32.1
125.09698	7.4
127.00326	7.3
127.03992	4.0
137.75829	4.3
139.03937	4.0
143.03488	100.0
143.07120	59.5
144.03006	4.8
154.99872	4.4
159.03024	9.8
169.05052	48.7
187.02458	55.1
187.04002	5.4
187.06056	38.8
187.09688	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	187.0974
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
59.01377	96.0
69.33006	5.6
69.33437	4.6
71.01382	1.9
83.05021	1.5
96.99300	2.6
97.06609	1.1
99.08157	24.5
112.97940	1.3
115.05517	3.4
125.09712	11.7
125.61753	1.1
127.07661	18.9
143.04944	1.8
145.08702	100.0
146.09044	2.5
159.04488	1.5
168.97775	1.7
169.14127	1.5
172.05276	2.7
187.03978	5.5
187.07597	10.5
187.09724	5.7
193.60104	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	187.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25621	1.6
55.01867	3.4
57.03416	2.0
59.01379	5.3
67.01863	3.2
68.99807	2.6
69.03439	1.9
69.39922	12.8
70.53517	1.6
71.01371	5.7
71.05012	4.8
72.87847	1.7
72.99303	1.7
75.93149	1.6
81.03455	17.3
83.01395	10.4
84.77386	1.8
85.02938	3.5
86.06191	1.8
97.02911	3.0
98.02482	15.1
99.00909	10.9
99.04518	72.2
99.05177	3.5
102.05624	2.0
108.62488	1.8
111.00882	3.0
113.02427	4.9
114.05623	8.7
115.03997	20.4
116.03524	6.2
116.07138	2.0
116.37497	1.7
125.02443	100.0
127.00388	5.5
128.03528	3.0
142.05104	7.8
143.03491	24.4
144.03011	4.3
144.06657	4.8
157.01355	2.5
159.03011	15.9
169.01387	3.0
186.00766	1.7
187.02458	71.6
187.04111	4.4
188.02896	2.1
188.05676	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	186.056
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
53.04465	0.2
61.24741	0.2
69.37998	1.5
69.38326	0.3
105.95273	0.2
110.77458	0.2
115.05598	0.3
116.05075	1.8
125.09678	0.3
128.62215	0.2
128.69904	0.2
129.62930	0.2
130.06627	0.3
140.05052	0.6
142.06624	100.0
143.06953	2.8
144.10388	0.2
153.58572	0.2
186.05591	3.4
186.07362	0.3
187.07584	0.4
204.63759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1387
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.23753	0.6
55.47335	0.7
57.03442	1.1
60.16447	0.6
63.07869	0.6
65.00308	1.0
67.01881	1.9
67.99321	0.7
68.80395	0.8
69.03444	1.3
71.01386	0.6
71.53710	1.2
83.01368	0.8
83.78301	0.6
85.02960	0.6
90.94062	0.6
92.99843	1.1
95.01400	1.6
111.00875	5.1
123.00894	2.3
124.01671	2.6
136.98782	1.2
139.00354	2.8
139.07730	0.7
140.01154	2.0
153.00620	1.6
154.99863	0.6
164.98441	0.9
168.00667	4.6
183.00568	6.3
183.02974	20.7
183.13893	100.0
184.14258	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	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.68621	0.4
67.39230	0.3
71.22614	0.6
101.89182	0.3
131.74760	0.3
138.61142	0.3
141.61975	0.4
160.46930	0.4
183.02992	0.5
183.13893	100.0
184.14256	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0298
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
50.25251	0.3
59.28879	0.3
65.00311	1.1
67.01891	0.6
68.99808	0.7
69.67814	1.2
69.68230	1.0
71.01381	0.9
72.99298	1.1
78.79863	0.3
82.00581	1.0
83.01386	1.3
84.99315	0.4
85.65684	0.4
87.00866	0.3
89.04635	0.3
95.01381	0.7
99.00879	0.4
106.00616	0.5
110.00107	1.1
111.00874	8.9
120.13876	0.4
123.00867	1.2
124.01662	11.6
125.21117	0.4
127.00402	3.1
136.98808	5.1
139.00380	7.7
140.01161	12.7
151.00340	0.7
154.99863	1.2
168.00638	15.6
169.01051	0.5
183.02977	100.0
184.03300	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
55.04768	0.6
59.01387	0.6
60.81409	0.5
65.58999	0.5
67.01875	1.2
71.01366	1.0
79.84954	0.5
84.84310	0.5
90.96196	0.5
92.71634	0.5
95.01378	1.2
101.02477	0.5
106.26321	0.6
109.02963	0.5
109.72040	0.5
111.00858	3.0
124.01649	1.3
127.00379	0.7
136.98782	1.4
139.00385	2.4
140.01167	2.0
164.98233	0.9
165.69252	0.5
168.00598	4.7
183.00562	1.1
183.02977	15.4
183.04398	0.7
183.10565	2.4
183.13889	100.0
184.14232	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	182.9934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27615	0.4
67.01892	34.8
69.46411	2.7
69.46817	1.1
76.11687	0.4
79.95740	0.9
80.98165	0.7
83.01389	45.6
83.11417	0.5
84.01720	0.7
85.02966	0.5
95.01389	85.5
96.01746	1.5
96.99311	1.2
98.19945	0.9
101.41282	0.4
111.00883	100.0
112.01212	1.8
139.00375	12.8
140.00844	0.4
164.98477	0.6
182.99434	2.1
183.03145	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	183.0046
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
50.49596	0.4
56.33215	0.3
65.00317	1.0
66.09842	0.4
67.01898	2.7
68.99814	1.4
69.03481	1.9
72.99325	0.4
76.67422	0.3
79.01882	0.4
83.01377	0.4
91.02823	0.4
92.99808	0.8
95.01384	10.6
101.02435	0.5
108.00928	0.3
109.01682	1.3
110.97675	0.4
111.00884	4.0
120.00908	0.7
123.00887	22.6
124.01635	1.5
125.01217	2.1
127.00388	0.4
136.98793	1.2
137.01201	1.2
139.00375	2.3
139.07643	0.4
139.11293	0.6
140.01175	2.7
153.00674	19.8
154.01093	0.4
164.98334	0.9
165.01932	0.7
168.00670	3.9
183.00470	100.0
183.02869	16.8
183.10303	2.6
183.13889	8.0
184.00761	2.0
184.03304	0.5
184.14229	0.5
188.45042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0295
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
55.01859	0.2
58.00611	0.3
62.28941	0.2
65.00327	1.3
67.01891	1.6
68.99809	0.8
69.03439	0.5
71.01374	1.0
71.05006	0.3
72.99312	1.0
82.00601	0.9
83.01394	1.4
86.00139	0.2
87.00861	0.6
91.41611	0.2
95.01379	1.1
95.31179	0.3
96.99303	0.3
99.00903	0.2
106.00600	0.6
110.00102	1.5
111.00887	8.9
111.01659	0.5
123.00893	1.2
124.01660	7.8
124.98806	0.3
127.00387	3.3
136.97803	0.5
136.98807	6.1
139.00380	7.8
140.01157	13.0
151.00354	0.7
154.99876	0.8
164.98306	0.7
168.00638	16.0
169.01007	0.3
171.78114	0.3
183.02975	100.0
184.03304	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	182.9934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66332	1.2
67.01888	29.7
69.37318	9.9
79.95745	1.1
83.01388	39.9
83.03925	1.1
95.01387	75.5
95.05067	1.8
96.99323	1.3
111.00882	100.0
111.04510	1.3
112.01196	1.7
124.01662	4.0
139.00377	20.2
139.04007	2.5
140.01196	1.2
164.98427	2.5
168.00635	10.1
182.47238	1.1
182.99411	3.6
183.02975	7.0
183.06631	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	182.9936
Annotation	Chelidonic acid
Peak:m/z	Relative Intensity
50.49971	0.6
56.04145	0.7
60.02598	0.7
67.01888	37.0
68.02225	1.0
68.57433	0.7
70.75881	1.8
79.95730	1.5
83.01384	48.1
95.01384	82.2
96.01692	1.2
96.99322	1.3
108.15819	0.6
111.00877	100.0
112.01216	2.4
117.08624	0.6
120.57561	0.7
139.00374	12.9
164.98616	0.9
167.48897	0.6
182.99481	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	179.0562
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
55.01871	3.0
57.03442	3.7
58.00581	1.4
59.01382	24.4
69.03461	4.9
69.34883	4.1
69.35308	4.0
71.01385	30.2
72.99301	3.1
73.02951	12.8
75.00877	18.1
78.34634	1.0
79.01918	2.2
81.03455	2.1
83.01389	6.4
85.02954	19.2
87.00881	100.0
89.02450	9.8
95.01379	2.1
97.02952	7.1
98.19894	1.4
99.00886	27.0
99.04456	0.9
99.52882	0.9
101.02456	11.8
111.00835	1.0
113.02427	4.3
117.01950	20.0
123.00863	1.5
125.02443	15.2
129.01953	2.8
133.01857	1.1
135.04585	5.7
141.01933	10.4
143.03441	2.4
156.66943	0.9
159.03014	7.1
161.04559	61.2
177.04094	2.1
179.05614	81.6
180.05928	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	179.0561
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
56.41845	0.9
57.03426	1.1
58.00593	1.3
59.01381	18.8
63.93059	1.0
69.26309	4.8
69.26723	3.9
71.01382	14.2
71.05016	2.6
72.99304	10.4
73.02940	11.4
75.00874	100.0
81.03454	3.8
83.01373	1.4
85.02966	8.0
86.83193	1.0
87.00880	42.6
88.33889	0.9
89.02462	5.4
90.98589	1.3
95.01389	1.1
97.02935	4.2
99.00885	11.0
99.04514	1.8
101.02446	3.3
117.01941	7.1
125.02463	4.6
125.12872	1.0
130.45517	1.0
137.51782	0.9
137.60242	1.2
141.01956	1.8
143.03490	9.5
152.32014	1.0
159.02950	1.2
161.04556	30.3
177.04066	1.0
179.05611	83.2
180.05891	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.5
61.98841	0.6
65.09636	0.3
65.19667	0.2
68.54095	0.2
69.88023	1.3
71.01379	0.5
78.22480	0.3
86.00168	0.3
87.00876	1.6
91.62868	0.2
97.49805	0.3
99.00911	0.6
119.93719	1.2
125.02443	0.3
134.96092	57.3
135.96153	2.4
136.94011	100.0
137.94084	4.1
151.92717	17.7
152.92860	0.7
161.04573	0.8
178.95059	66.5
179.05617	0.9
179.93649	0.4
179.95154	2.9
184.90790	0.3
196.95976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Daphnetin
Peak:m/z	Relative Intensity
50.33007	0.3
52.39481	0.2
56.29488	0.2
57.03436	0.2
59.01148	0.3
59.01384	3.0
69.41373	2.2
70.93282	0.2
71.01382	0.6
75.00874	0.3
77.03965	1.2
79.01886	0.3
81.03450	1.5
87.00854	0.6
89.02456	0.3
89.03448	0.6
89.03973	8.9
93.03456	4.0
95.05039	1.3
96.23438	0.3
97.02937	0.3
105.03462	14.9
106.03803	0.4
107.01395	0.8
109.02937	0.9
119.05018	0.8
121.02961	1.3
123.04424	0.5
130.04280	0.3
131.05040	1.0
133.02957	29.7
133.06575	0.5
134.03639	0.6
139.04024	0.7
147.04506	1.8
149.02438	4.0
149.06093	0.7
159.04546	0.6
161.02403	0.8
162.03212	7.5
177.01924	100.0
178.02281	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	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33007	0.3
52.39481	0.2
56.29488	0.2
57.03436	0.2
59.01148	0.3
59.01384	3.0
69.41373	2.2
70.93282	0.2
71.01382	0.6
75.00874	0.3
77.03965	1.2
79.01886	0.3
81.03450	1.5
87.00854	0.6
89.02456	0.3
89.03448	0.6
89.03973	8.9
93.03456	4.0
95.05039	1.3
96.23438	0.3
97.02937	0.3
105.03462	14.9
106.03803	0.4
107.01395	0.8
109.02937	0.9
119.05018	0.8
121.02961	1.3
123.04424	0.5
130.04280	0.3
131.05040	1.0
133.02957	29.7
133.06575	0.5
134.03639	0.6
139.04024	0.7
147.04506	1.8
149.02438	4.0
149.06093	0.7
159.04546	0.6
161.02403	0.8
162.03212	7.5
177.01924	100.0
178.02281	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	175.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.2
59.01375	5.7
68.91256	0.7
69.03448	1.0
69.46807	4.4
71.01376	7.6
71.05010	0.9
72.99302	1.8
73.02910	1.3
75.95754	0.6
78.51849	0.6
83.01376	0.8
83.05015	3.0
85.02954	2.1
85.06583	3.7
87.00867	13.3
92.58515	0.6
95.05037	1.0
97.06606	1.2
99.08152	15.1
105.03450	0.7
109.06577	3.5
111.08178	3.9
113.06054	0.6
115.00369	13.6
115.03972	0.7
119.05038	0.7
127.07651	5.6
129.09213	65.2
130.09514	1.5
131.03516	1.2
131.04971	0.9
132.02153	1.6
139.07596	1.0
147.04489	2.3
157.08678	0.8
160.01642	3.2
173.08186	1.2
174.88950	2.6
175.02454	3.3
175.03987	5.5
175.06166	2.6
175.09738	100.0
176.03532	0.7
176.10040	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	175.0975
Annotation	Metaldehyde
Peak:m/z	Relative Intensity
57.03456	0.6
59.01367	2.1
71.01385	1.8
71.05029	1.3
71.11191	1.0
72.99307	0.6
73.02954	0.5
85.02950	1.1
87.00874	1.7
97.06579	2.5
99.08157	23.3
101.09732	0.6
109.06593	2.5
110.43594	0.4
111.08160	3.3
115.00391	1.7
115.04060	0.6
117.01891	0.5
119.05046	0.4
119.19768	0.4
127.07678	3.0
129.09218	69.0
130.09529	1.6
131.05023	0.6
132.02148	2.4
147.04507	1.5
157.08676	1.4
160.01672	4.8
173.08163	1.3
174.88972	1.2
175.03946	3.4
175.09744	100.0
176.10072	2.6
191.56467	0.4
194.33218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
50.07355	0.4
50.67701	0.5
57.03451	1.9
59.01378	9.4
65.67058	0.5
68.46357	0.4
68.99819	0.8
69.03423	0.5
69.63126	3.1
71.01378	3.4
71.05022	1.1
72.99283	0.4
73.02939	1.0
83.01394	0.5
84.41241	0.5
85.02960	2.0
85.06586	42.1
86.06905	0.5
87.00881	4.2
87.04492	2.2
95.05027	0.5
98.19939	0.8
99.08160	2.4
109.06603	0.6
111.08177	0.6
113.06086	40.5
114.06448	0.6
115.00391	4.3
115.04008	100.0
116.04355	1.7
119.05016	0.5
124.98760	0.5
129.05576	1.7
129.09216	11.7
130.09500	0.7
131.03476	1.0
131.05016	0.7
131.07144	7.5
135.04517	1.6
147.00891	0.6
147.04541	1.0
157.05069	9.7
160.01714	0.5
161.02419	0.4
174.88934	2.9
175.03940	2.7
175.06113	47.7
175.09720	14.8
176.06415	1.0
179.03557	0.8
182.80676	0.6
188.42929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0818
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
54.76278	0.7
57.03446	1.0
59.01379	100.0
60.01699	1.0
67.01890	6.7
69.03448	2.8
69.64315	4.2
71.01373	4.0
73.02951	2.8
75.94530	0.7
78.34406	0.8
79.59252	0.9
83.05020	2.8
85.06587	22.0
93.02863	1.6
93.03457	30.4
99.00890	1.7
111.00893	5.4
111.04545	3.7
111.08168	10.4
113.06082	20.4
129.05574	1.0
129.09253	1.9
131.07141	96.8
132.07475	1.4
147.27361	0.7
155.03381	1.1
173.02359	0.9
173.04529	4.1
173.05974	1.7
173.08160	5.0
174.02086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
54.62614	5.4
57.03444	5.2
58.00585	5.6
59.01381	94.7
60.25944	5.0
68.99818	7.6
70.65424	11.7
70.65758	5.7
71.01379	70.0
72.99308	16.9
73.02962	12.7
78.57827	4.6
83.01378	10.9
83.39862	5.0
85.02957	16.4
87.00880	53.6
96.99287	7.0
99.00882	31.5
100.98808	53.7
101.02445	6.4
113.06006	5.7
115.00378	67.0
115.04005	8.8
116.45708	5.3
124.98808	20.9
127.97514	52.4
129.01926	6.2
130.97551	12.4
131.03516	13.6
135.04529	8.8
142.99840	13.9
146.97102	11.6
148.98615	100.0
149.98660	5.8
152.90611	4.7
174.82826	25.8
174.88922	5.5
174.96516	16.0
175.02486	24.4
175.03896	9.3
175.06143	13.3
175.09795	8.5
194.27222	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	173.0818
Annotation	CHEBI:87267
Peak:m/z	Relative Intensity
55.01860	0.8
56.08470	0.8
57.03438	3.1
59.01379	100.0
60.99297	1.1
67.01887	9.1
69.03454	3.1
70.83099	1.9
70.83443	0.8
71.01382	4.7
72.99331	1.1
73.02941	3.5
79.63763	0.7
81.03452	1.1
83.05021	2.9
85.02957	2.3
85.06103	1.4
85.06589	18.9
87.30017	0.8
93.03456	44.4
99.00873	2.4
99.04514	1.3
111.00896	7.7
111.04541	6.7
111.08152	12.8
113.06091	20.1
131.07140	88.9
131.40739	0.8
132.07455	1.1
137.02455	1.9
145.02977	1.1
151.14667	0.9
155.03551	1.0
170.76114	0.8
173.02475	0.9
173.04527	5.7
173.05948	1.7
173.08224	5.2
173.11823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0818
Annotation	Dimethyl adipate
Peak:m/z	Relative Intensity
55.01876	1.0
57.03441	2.5
59.01380	5.1
60.99300	2.6
65.03955	3.2
67.01891	18.3
69.03456	3.9
70.21893	2.5
71.01387	7.6
71.05022	1.1
72.99309	9.6
73.02949	4.9
75.00890	1.8
81.03466	2.5
83.01396	2.1
83.05024	23.3
85.02950	3.8
85.06577	1.7
87.00890	1.5
91.05527	3.8
93.03456	71.7
93.07082	1.2
94.03796	1.1
95.05031	1.0
97.06599	9.0
98.19997	0.8
99.00881	3.4
99.04520	1.7
101.02472	0.9
107.05025	3.0
109.02990	1.0
109.06590	77.1
110.06895	1.9
111.00890	7.5
111.04523	28.1
111.08141	2.4
112.98814	1.4
113.02477	0.8
124.98845	0.7
127.03996	0.8
127.07637	12.5
129.01938	1.2
129.05580	1.2
131.07127	3.6
131.09091	1.0
131.70226	0.8
137.02406	1.6
137.06087	6.3
138.54160	0.7
142.99803	1.7
145.01367	1.2
145.01794	1.0
145.02963	10.7
145.06604	2.1
155.03500	2.2
155.07117	7.3
158.03728	0.8
171.04539	0.7
173.00960	1.4
173.02429	15.1
173.04550	8.3
173.08180	100.0
174.08527	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55629	0.8
53.00293	2.1
55.01876	7.4
57.03431	3.3
59.01376	8.1
67.01882	4.1
68.99804	3.6
69.76914	1.7
69.77314	3.6
71.01380	100.0
72.99294	4.1
73.02942	10.3
80.99789	2.0
81.03434	1.9
83.01379	10.4
83.05027	3.0
85.02941	7.1
85.06580	2.0
87.00863	6.7
93.03460	11.7
96.99326	5.1
98.20612	1.9
99.00875	35.6
109.06563	3.6
111.00877	24.7
111.04474	5.4
112.98808	50.0
113.02396	1.2
115.00349	3.9
124.98804	28.1
129.01935	3.3
129.05493	0.9
137.02419	3.2
140.98271	1.7
142.99855	65.4
144.00157	1.1
155.03490	1.7
173.00882	11.0
173.04498	3.3
173.08138	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	173.0091
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
52.39529	1.1
53.00297	3.0
55.01873	8.6
57.03446	5.9
59.01390	7.9
67.01884	6.2
68.99813	3.7
69.86417	4.3
71.01384	100.0
71.05003	1.1
72.99294	5.6
73.02943	12.4
80.99817	1.1
83.01387	10.4
83.05000	2.7
85.02953	9.3
85.06107	2.1
85.06593	29.5
87.00874	6.6
93.03461	19.0
96.99337	5.3
99.00877	31.7
99.04509	3.0
101.02429	1.2
111.00888	29.5
111.03827	1.5
111.04519	17.3
112.98813	44.0
113.02390	1.0
115.00354	5.6
124.98810	26.4
129.01923	2.2
129.05563	3.1
135.44456	1.0
137.02434	1.9
142.99867	61.2
144.00160	1.3
146.14481	1.1
154.99884	2.2
155.03502	10.0
173.00916	11.6
173.04549	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	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84893	1.0
51.34493	1.0
53.00301	2.4
55.01876	7.9
57.03435	3.2
59.01383	5.7
67.01881	3.0
68.99813	3.3
70.83811	2.1
70.84153	2.0
71.01382	100.0
72.99295	3.5
73.02948	6.6
83.01385	7.7
85.02943	3.0
87.00873	6.7
93.03469	6.8
96.99280	4.3
99.00880	34.6
111.00883	3.0
111.04498	2.4
112.98072	2.1
112.98809	27.9
115.00371	5.3
119.25945	1.2
124.98800	38.4
125.99108	1.5
129.01944	1.6
140.98311	2.8
142.99861	85.0
173.00906	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	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02971	1.7
59.01389	0.3
67.01886	1.0
69.44418	0.9
69.44839	0.7
71.01391	0.4
76.20442	0.3
82.06631	0.7
84.08224	0.2
85.02977	0.2
93.03459	4.0
97.52398	0.2
98.20657	0.5
111.00883	0.5
111.04529	0.5
113.41569	0.2
128.10828	2.7
130.08736	100.0
131.09064	1.8
144.04521	0.4
172.09782	11.7
173.04530	0.5
173.10048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
59.01379	4.1
68.07976	0.7
69.27203	5.1
69.27604	1.3
78.95621	0.7
101.06126	0.7
109.06594	10.1
127.07651	100.0
128.07986	1.3
131.64192	0.7
171.01974	1.1
171.06621	3.0
171.10239	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	166.9986
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
51.02374	0.8
53.00296	0.4
65.00324	0.4
67.01887	2.0
68.99818	3.2
69.03442	0.6
79.01888	0.9
80.02663	0.6
81.03461	1.2
83.01417	0.4
91.01914	0.9
93.03444	0.8
95.01388	100.0
95.05029	1.6
96.01706	2.1
97.02953	1.0
100.93893	0.3
108.01467	0.6
108.02171	8.3
109.02941	1.2
111.00864	1.2
120.89902	0.4
121.02952	1.0
123.00889	65.2
123.04514	7.7
123.08089	0.8
124.01632	2.2
125.02447	1.3
129.75189	0.3
135.04575	0.4
137.02441	0.8
139.00374	1.1
139.03998	1.0
149.02443	0.4
149.99591	1.0
152.01151	18.7
153.01613	0.5
166.83331	0.4
166.99854	11.6
167.03488	10.0
167.07188	1.6
168.00505	0.8
181.60083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0142
Annotation	Gallic acid
Peak:m/z	Relative Intensity
50.55294	0.3
55.01870	0.3
57.03442	0.4
58.76245	0.3
65.00327	0.7
66.52328	0.3
67.01895	1.0
69.03452	5.8
71.01370	0.4
71.08830	0.5
79.01885	2.2
81.03455	2.3
83.01395	0.8
85.02969	0.7
95.01385	0.8
97.02941	5.3
99.00870	0.6
107.01405	1.2
108.02222	0.3
111.00896	0.4
113.02463	1.1
122.89426	0.5
123.00919	0.4
124.01681	1.4
125.02442	100.0
125.99590	0.8
126.02769	2.0
126.98872	0.4
127.58470	0.3
139.00342	0.6
141.01961	0.3
151.00356	0.8
168.83594	1.2
169.01414	32.3
170.01740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44031	0.9
57.03456	5.0
59.01377	2.9
61.98826	2.1
65.00323	7.5
65.03947	1.1
67.01891	1.0
68.99815	2.7
69.03448	1.3
71.01378	2.1
71.53274	0.9
72.99303	1.8
74.99055	1.1
75.00868	4.1
77.03981	6.4
80.02674	2.4
81.03456	6.0
83.05029	12.5
85.06550	1.2
87.00863	2.6
92.99815	25.3
93.03464	9.5
93.99359	1.6
95.01392	2.6
95.05025	8.3
96.99313	1.6
97.06587	17.4
105.01945	2.1
108.02155	1.0
109.02961	4.7
109.06596	3.4
111.08162	17.7
119.05035	2.3
121.02961	100.0
122.03251	2.6
122.03762	1.0
123.04544	1.9
123.51816	1.0
136.98802	1.5
137.02446	8.0
137.09702	1.2
138.05588	1.0
147.04517	6.7
147.11867	1.6
149.00943	4.7
149.09720	1.3
150.03214	8.1
151.00346	1.6
163.11304	6.2
164.83614	11.0
164.89694	3.4
164.98343	2.0
165.01947	19.7
165.04079	3.9
165.05565	7.6
165.09175	1.8
165.12845	36.1
166.05104	2.9
166.13094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1284
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03445	15.6
59.01379	5.0
61.98827	4.0
65.00327	6.9
67.01897	0.8
68.99825	2.9
69.03450	1.9
70.49515	0.6
71.01382	2.3
71.05035	1.1
72.99308	2.0
73.02953	1.2
75.00867	5.2
77.03962	5.3
81.03461	2.1
83.05035	3.5
85.02965	0.6
87.00883	3.3
92.99820	17.1
93.03458	8.3
93.07065	0.7
93.99364	1.8
94.00140	0.7
95.01376	2.3
95.05040	0.8
96.99326	0.7
97.02920	0.7
97.06593	2.2
101.02447	1.2
105.01917	3.1
107.05029	0.7
108.04556	1.0
109.02938	2.5
109.06596	2.0
111.08157	25.4
112.08502	0.7
119.05018	2.5
121.02954	100.0
121.06555	1.5
122.02495	0.9
122.03249	2.1
122.03892	0.8
123.00929	0.8
123.04517	2.2
135.04495	0.9
136.98840	1.0
137.02441	10.0
137.06126	1.2
138.05595	0.7
147.04518	6.0
147.06564	0.9
149.00952	2.8
150.03223	7.6
151.00345	0.9
163.11266	1.2
164.83611	22.0
164.89529	4.2
164.98294	1.6
165.01933	17.6
165.04077	4.0
165.05573	6.7
165.07764	1.1
165.09195	1.8
165.12836	51.7
166.05057	1.7
166.13182	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	165.1284
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.20532	1.8
53.77438	2.1
54.06133	1.8
57.03449	12.3
57.03671	2.0
59.01374	5.5
61.98838	2.4
65.00303	5.9
69.03457	3.9
71.01379	2.9
72.99293	2.1
75.00865	5.5
75.75913	2.1
77.03955	3.7
80.02681	4.7
80.16324	1.8
81.03449	11.4
83.05031	25.0
87.00870	2.4
92.99818	13.5
93.03481	12.2
95.05028	16.5
97.06596	35.3
98.20738	5.4
105.01915	3.2
107.69077	1.8
109.02933	3.6
109.06587	5.1
111.08161	47.4
121.02956	100.0
121.06601	2.4
122.03240	3.4
137.02458	9.1
147.04514	4.5
149.01009	2.7
150.03221	6.4
163.11276	15.3
164.83600	40.6
164.89503	3.8
165.01903	16.4
165.04115	4.3
165.05577	7.5
165.12845	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1284
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03449	29.0
59.01384	1.4
65.00326	2.3
65.52752	0.6
69.03454	1.5
70.04099	1.8
71.05022	2.6
75.00871	1.8
77.03985	1.3
80.88278	0.6
81.03458	2.2
83.05023	6.7
91.64436	0.6
92.99821	3.2
93.03426	1.8
95.05012	1.2
97.06598	3.1
98.20655	0.7
107.05034	1.9
109.02959	0.7
109.06572	3.8
110.82742	0.6
111.08157	49.3
119.04996	1.1
121.02954	23.6
137.02469	3.0
147.04462	1.8
149.00943	0.8
150.03226	2.0
155.52122	0.7
163.11264	1.9
164.83614	9.0
164.89594	1.1
165.01907	5.5
165.04109	0.7
165.05603	1.6
165.12839	100.0
166.13141	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	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
52.26602	0.7
71.27590	0.8
71.27934	0.9
72.00909	43.1
75.00883	1.2
87.00934	0.6
91.05536	2.6
93.03461	0.7
93.66585	0.7
103.05547	5.5
119.05035	3.1
120.05372	4.2
121.02943	3.0
121.06676	0.7
147.04520	100.0
148.04861	2.5
149.02393	1.0
150.03215	3.2
164.07158	46.6
165.07550	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
50.92672	0.4
59.01368	0.5
71.29166	0.9
72.99287	0.3
74.32307	0.4
75.00872	3.5
75.40715	0.4
77.03965	1.5
77.86172	0.4
87.00871	1.5
93.03460	2.7
105.01945	1.0
108.02156	0.7
114.79826	0.4
119.05016	0.7
121.02956	100.0
122.03260	2.6
137.02426	1.8
147.02959	0.6
147.04520	0.5
150.03232	1.4
164.89511	0.4
165.00555	0.6
165.01927	9.6
165.04079	1.3
165.05580	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	165.0404
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
54.74361	0.5
55.01885	4.0
57.03438	1.0
59.01381	8.6
59.50778	0.5
60.87012	0.5
63.07016	0.5
69.82878	2.1
69.83279	0.7
71.01381	5.6
72.99306	6.9
73.02942	1.5
75.00873	100.0
76.01208	0.6
85.02941	1.3
87.00879	31.6
89.02435	3.5
93.03473	0.7
99.00880	5.0
101.02453	2.3
101.42380	0.6
105.01937	23.8
117.01953	2.0
121.03030	0.5
129.01947	9.9
145.86702	0.5
147.02989	5.3
165.04044	45.5
166.04503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
69.98056	0.4
72.99305	33.8
91.05517	2.2
97.26022	0.4
98.19887	1.5
101.03968	1.6
103.05521	7.1
117.03474	1.1
119.05024	34.2
120.05376	0.8
121.02968	1.5
136.77142	0.4
138.45712	0.4
146.60291	0.4
147.04515	100.0
148.04869	2.5
165.01875	0.8
165.05557	28.6
166.05846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01608	1.8
55.01874	3.3
57.03450	93.7
58.00591	2.0
59.01378	55.4
69.03450	3.0
70.01167	1.3
70.65382	3.9
70.65720	1.8
71.01382	27.9
71.05019	19.2
72.99297	4.0
73.02950	45.7
75.00891	3.2
77.63374	1.4
77.86980	1.5
81.03462	9.8
83.01372	8.1
83.24807	1.6
84.02164	1.6
85.02952	40.9
87.00874	19.2
89.02438	10.3
97.02980	8.1
97.92841	1.6
99.04518	100.0
100.04845	2.6
101.02441	56.9
102.99225	1.7
113.02454	3.5
115.04025	4.8
115.07647	3.0
117.05593	12.9
121.64369	1.4
131.03508	16.6
133.02966	12.6
143.03517	14.6
157.62846	1.5
161.02577	10.4
161.04552	65.6
161.05911	3.4
161.08224	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	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.63257	0.4
59.01366	0.9
70.84606	0.9
70.84952	0.7
71.35738	0.4
86.83660	0.4
93.03458	2.6
95.01414	0.6
101.02438	1.3
109.52381	0.4
112.17720	0.4
118.76443	0.4
119.05031	100.0
120.05380	1.8
133.97075	0.5
135.00887	0.7
135.04471	0.5
163.00366	4.2
163.04019	11.3
163.06107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
59.01352	1.2
61.98846	1.5
71.51712	1.6
77.46000	1.1
82.06477	1.1
95.01369	2.4
101.02473	2.4
105.40246	1.1
116.92091	2.8
119.01352	1.5
119.05025	37.0
120.05418	1.9
160.30270	1.3
163.00366	9.5
163.04036	2.4
163.06194	2.6
163.11287	100.0
164.11626	4.5
176.91734	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	157.087
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
52.88748	1.0
56.41444	1.0
59.01376	18.1
67.05518	3.0
69.21334	9.5
71.01382	20.5
83.05031	1.5
84.99300	2.9
86.17700	1.1
89.07402	1.0
98.19922	1.7
99.00918	1.6
109.06589	8.7
111.08143	5.4
121.06554	2.6
127.00330	8.3
127.06699	2.4
127.07645	50.2
139.07642	32.7
140.08051	1.2
144.22227	0.9
156.89474	1.3
157.01414	1.1
157.08693	100.0
157.12328	3.4
158.08986	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	157.087
Annotation	Cleroindicin E
Peak:m/z	Relative Intensity
57.03448	4.2
59.01360	0.7
68.99785	0.5
69.03456	1.1
69.27455	3.4
69.27861	1.0
71.01378	1.0
72.99313	1.3
84.99314	10.1
89.55450	0.5
93.07108	0.7
93.53162	0.5
99.00877	1.3
109.06586	1.2
111.08158	100.0
112.08510	2.8
114.93406	0.6
127.00382	8.0
128.00740	0.5
128.98291	1.2
139.07640	4.6
155.07126	1.9
156.89449	0.8
156.97845	0.6
157.01405	1.1
157.08693	55.1
157.12268	2.6
158.09105	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	155.1078
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01862	1.1
58.90322	0.6
59.01365	0.8
67.01910	0.8
69.40528	1.4
69.40935	3.0
69.82270	0.6
70.16919	0.6
83.01368	1.4
111.00864	1.0
114.05589	0.9
124.45071	0.7
154.99905	1.0
155.10780	100.0
156.11116	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	157.0142
Annotation	3-Hydroxy-cis,cis-muconate
Peak:m/z	Relative Intensity
55.01875	0.3
57.03465	0.4
58.02982	0.5
59.01378	2.7
68.31112	0.3
68.44472	0.3
68.99818	3.9
69.03455	100.0
70.03795	1.4
70.99641	0.4
71.01381	15.8
71.50117	0.3
71.50494	0.3
72.01725	0.4
72.99305	0.3
82.95583	0.3
82.99620	0.3
83.01389	0.7
83.05029	0.4
84.99317	1.2
85.02954	4.4
86.06120	1.0
95.01396	1.3
95.05046	0.6
96.04554	1.0
96.99302	1.3
99.00893	1.3
104.70905	0.3
111.00905	0.4
111.21278	0.3
111.46585	0.3
112.04035	1.3
113.02450	14.4
113.06075	0.8
114.05598	0.7
114.09229	0.8
115.00365	0.9
115.05964	1.3
116.07175	14.2
124.98824	2.3
127.00383	2.6
129.01913	0.6
129.38628	0.3
139.00389	0.8
139.89217	0.5
156.89479	9.0
157.01421	14.3
157.05037	0.8
157.08694	0.7
157.12321	0.9
158.01749	0.3
158.04596	0.3
158.08208	1.9
176.30353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0108
Annotation	2,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
51.35965	1.1
60.51612	1.0
65.00314	2.7
66.03484	32.7
68.99801	1.0
71.41819	1.1
79.95702	1.3
80.93845	1.2
80.96502	1.1
81.03443	4.4
83.01374	4.3
85.02946	2.3
95.01377	2.0
96.96011	4.9
96.99289	1.2
97.02938	2.5
97.77834	1.0
98.19871	3.3
103.74876	1.1
108.02174	46.9
108.04554	3.5
109.02950	100.0
110.00105	13.2
113.72793	1.0
122.03708	3.0
123.00870	3.5
123.04454	1.7
124.01654	2.0
124.04007	1.7
124.04829	2.8
124.20701	1.4
125.02464	6.8
137.02016	9.3
137.99582	9.9
138.03163	1.0
151.00365	4.2
152.01140	7.4
152.03337	9.2
152.04405	4.4
152.07126	2.7
153.00713	2.0
153.01929	35.6
153.05515	3.5
159.86415	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	153.0194
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
51.02442	0.3
54.53128	0.5
57.03448	4.1
62.31484	0.4
62.92751	0.4
63.02396	1.9
64.99974	0.6
65.00320	11.1
65.03955	0.8
67.01888	3.1
68.99814	10.1
71.51813	0.4
81.03454	3.3
83.01384	33.4
84.01731	0.6
85.02957	3.2
85.03379	0.4
86.57049	0.4
91.01852	0.5
97.02974	0.5
107.01385	19.7
107.79556	0.5
108.02178	3.1
109.02949	46.5
110.00103	1.2
110.03294	1.1
111.00894	2.7
120.99369	0.4
124.01653	0.5
125.02445	14.4
126.02751	0.5
137.99567	0.7
151.00363	64.4
152.00708	2.3
153.01927	100.0
154.02298	2.7
164.25006	0.5
165.83470	0.4
169.01401	0.6
169.13681	0.4
171.77679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	L-Arabinose
Peak:m/z	Relative Intensity
59.01379	12.6
62.52603	1.2
63.30786	1.2
64.09129	1.6
65.87650	1.4
69.03454	3.0
70.00110	5.9
71.01378	30.8
72.99311	7.8
73.02943	27.3
75.00867	35.8
85.02951	2.5
87.00868	14.1
89.02441	100.0
90.02752	1.7
101.02437	2.0
103.04021	6.0
109.98335	1.5
131.03496	13.7
149.02568	1.7
149.03366	2.2
149.04536	42.8
150.04907	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	L-ribulose
Peak:m/z	Relative Intensity
50.64970	1.6
54.19839	1.4
56.12428	1.4
59.01378	14.9
69.27313	10.5
71.01006	2.6
71.01379	32.8
72.99300	11.9
73.02945	20.7
75.00465	3.0
75.00870	35.5
78.18520	1.5
83.01420	1.5
85.02922	2.7
87.00874	15.7
89.02444	100.0
101.02414	3.1
103.04008	5.6
113.30043	1.7
118.04052	1.8
121.02933	3.1
131.03514	10.4
138.74821	1.5
149.00923	2.2
149.04546	46.1
154.10574	1.6
168.45934	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	149.0455
Annotation	L-ribulose
Peak:m/z	Relative Intensity
53.85463	0.9
54.08162	0.9
55.01863	0.9
58.05104	0.9
59.01379	14.9
69.03442	3.7
69.63489	4.2
71.01379	35.5
72.99301	4.1
73.02946	24.2
75.00869	22.0
78.14983	0.8
85.02914	1.6
87.00878	10.8
89.02442	100.0
90.02788	1.5
92.88040	0.9
98.20636	1.3
101.02418	1.3
103.04005	4.3
126.27300	0.8
131.03505	11.1
149.04553	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
52.73630	6.9
53.03223	6.0
57.03462	9.4
59.01370	12.0
61.66438	7.6
69.72889	40.5
71.01377	13.8
74.47477	7.1
75.00830	6.8
85.02940	8.5
103.05507	13.7
107.59547	7.9
108.75539	7.5
110.62334	6.3
119.05018	28.8
129.01913	15.2
147.04520	100.0
148.04834	8.8
163.89313	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	147.0452
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
57.60397	7.0
59.01368	7.3
60.89345	7.1
69.27090	51.7
69.27494	16.0
71.71250	7.4
82.51324	8.1
103.05541	43.9
119.05006	34.2
127.05312	7.9
131.40440	7.1
147.04510	100.0
169.03709	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.44549	4.5
59.01379	21.5
61.98833	32.8
69.28033	45.2
71.01376	20.1
75.00857	5.9
82.30054	4.8
82.85172	4.8
83.19373	4.7
84.99359	9.1
85.02966	8.2
87.00871	5.2
90.05067	4.2
91.93967	4.2
95.69073	4.8
96.06057	5.4
99.00943	6.5
102.93594	4.9
103.05531	14.3
105.32259	5.2
109.35957	5.1
115.28386	4.4
119.05000	17.3
127.38932	4.4
130.58687	4.5
143.05119	5.5
147.04529	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	147.03
Annotation	(S)-2-Methylmalate
Peak:m/z	Relative Intensity
50.99578	1.1
57.03450	27.0
59.01386	9.5
71.01390	2.6
71.05016	3.9
71.51348	1.9
73.02946	3.7
75.00859	1.6
80.62653	1.3
85.02953	70.0
86.03262	1.2
87.00879	100.0
88.01218	2.2
91.88978	1.3
95.70589	1.3
101.02463	6.1
101.06065	4.1
103.04026	10.6
113.61971	1.1
129.01944	18.1
147.01855	1.8
147.02992	26.2
147.06619	2.9
151.65758	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	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
55.89258	0.7
56.08960	0.9
69.17842	8.9
83.05022	9.5
97.06551	1.6
99.08152	100.0
99.63127	0.8
100.08491	3.6
101.06119	0.8
120.93311	0.8
127.07653	2.5
143.07144	1.7
145.08705	35.0
146.02512	1.8
146.09087	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	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.7
64.64171	0.7
67.31841	0.7
69.29092	7.0
81.20780	0.7
83.05035	1.0
84.02168	0.9
97.06594	5.7
99.08158	100.0
100.08500	3.1
108.42731	0.8
127.07621	3.3
136.08484	0.8
145.03050	1.0
145.05130	0.8
145.08704	33.6
146.02422	1.5
146.09055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0507
Annotation	3-Hydroxy-5-oxohexanoate
Peak:m/z	Relative Intensity
57.03453	100.0
59.01381	33.1
59.02222	4.9
69.03092	5.5
71.01385	57.3
71.05016	48.8
71.17747	6.2
71.49811	9.3
71.50155	7.1
72.02163	5.7
73.02947	17.8
81.03452	9.2
83.01392	8.7
83.05021	59.2
85.02954	26.0
86.32765	5.3
87.00879	13.6
99.04530	42.4
101.06079	51.8
103.95320	5.3
109.02981	8.0
115.00348	16.5
117.03469	10.3
127.00310	6.0
127.03998	49.8
144.96465	11.0
145.02954	9.4
145.05067	68.3
146.02470	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	143.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	28.5
55.01844	7.7
59.01363	8.2
67.16632	6.1
68.99811	48.4
69.03430	10.6
70.09014	18.8
70.09406	13.7
71.01376	55.8
71.05009	25.5
72.99276	6.0
79.01665	5.3
80.99784	6.9
81.03401	6.2
84.02162	52.1
85.02946	65.8
87.00843	11.7
96.99293	19.7
97.81698	6.2
98.20575	9.4
98.93825	6.0
99.22165	5.8
112.98837	33.2
115.00380	7.7
115.03974	6.7
119.90057	5.9
120.73252	7.6
124.98799	68.9
140.98277	11.2
142.27698	6.3
142.99869	100.0
143.03459	26.7
143.07132	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	143.035
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
68.99814	69.0
69.03452	27.0
69.47920	67.9
71.01373	39.4
71.05007	32.2
77.18154	10.4
81.03443	26.2
84.02182	69.4
85.02947	100.0
95.01387	11.7
97.02938	23.8
98.20597	21.8
108.07106	8.7
113.44542	10.7
124.98758	12.9
125.02413	27.7
142.99860	13.1
143.03441	36.7
143.10765	12.8
144.04507	10.9
161.98969	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	145.0142
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
57.03443	27.3
59.01374	28.4
60.53447	10.7
64.38522	10.5
66.78619	11.5
68.50795	11.2
68.54967	10.1
70.30991	9.0
70.35922	11.4
71.01379	66.1
71.16979	18.3
73.02940	22.4
74.02475	15.1
83.01379	30.2
87.00880	62.9
99.00897	12.1
101.02444	100.0
102.05627	11.2
106.80039	12.2
114.51394	11.5
114.73929	12.8
115.00370	39.0
122.11217	10.2
125.99358	9.2
127.00367	34.6
137.58568	12.2
145.00352	11.0
145.01421	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	19.7
59.01378	8.1
63.24438	3.3
66.43494	3.5
68.99816	5.7
70.98588	7.5
70.98937	4.6
71.01382	53.3
71.27624	3.1
72.42373	3.2
79.32350	3.7
80.99805	8.0
87.00877	12.3
87.31174	3.4
96.99306	28.6
112.98814	37.0
115.00380	3.5
124.98801	63.5
130.22824	3.3
134.37784	3.0
140.98332	12.4
141.05095	3.7
142.99852	100.0
157.85487	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	21.7
54.94281	3.1
55.01073	3.1
56.04781	2.9
58.13582	2.9
59.01373	8.6
62.05064	3.0
68.99792	11.3
71.01377	49.3
71.05017	3.3
71.20710	4.5
75.18297	3.0
80.99818	8.4
84.02149	7.8
85.02947	11.4
87.00851	11.5
91.75821	3.3
96.99306	28.8
100.14364	3.0
106.81770	3.6
112.98814	33.1
115.00362	4.0
124.97945	6.1
124.98808	82.8
140.98273	11.2
142.99863	100.0
153.61223	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	142.0662
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
50.61932	0.5
53.26657	0.4
56.49776	0.5
62.42249	0.5
69.42662	3.9
71.01376	1.0
113.02481	0.6
113.65565	0.5
116.05048	2.6
125.02395	0.9
126.28056	0.5
140.05061	1.0
142.06621	100.0
143.06967	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	22.6
55.65047	2.6
59.01382	5.4
63.86802	2.4
68.99817	5.8
70.68429	8.9
71.01381	52.6
80.99805	4.8
87.00868	11.6
88.68218	3.2
96.99310	25.5
112.98811	36.4
115.00374	4.9
124.98809	66.7
140.98309	13.4
142.99857	100.0
144.00259	3.1
154.52007	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	139.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79270	1.7
54.59616	1.9
55.01872	2.6
56.08161	2.1
61.30779	2.1
62.47497	1.9
63.59929	1.9
67.01890	100.0
69.36407	3.9
69.36810	11.3
76.51945	2.2
79.95064	2.3
79.95731	6.1
82.07082	2.3
93.20238	2.4
94.98081	7.4
95.01387	37.0
98.17381	2.2
102.14699	2.3
111.00883	12.2
119.79818	2.1
139.00488	7.9
139.04012	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	139.0039
Annotation	5-Formyl-2-furoate
Peak:m/z	Relative Intensity
52.04065	0.6
56.88218	0.7
58.30305	0.5
67.01888	100.0
68.02208	2.8
71.20126	0.7
71.25424	1.2
77.85721	0.6
79.72522	0.7
79.95736	2.4
83.01369	1.0
94.98096	3.6
95.01382	32.0
96.01730	1.0
96.99283	1.2
102.47496	0.7
111.00888	1.8
139.00377	2.8
150.32162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
56.95957	0.3
65.03954	1.0
71.22374	0.7
93.03459	100.0
94.03790	3.9
137.02452	14.7
138.02798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
51.28462	0.4
67.01876	0.7
69.46186	3.2
76.98578	0.4
83.01385	0.6
93.03494	0.6
94.03799	1.8
104.36243	0.4
108.02170	77.1
109.02457	3.5
111.00887	1.9
138.01965	100.0
139.00356	0.8
139.02299	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	135.03
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.5
59.01377	10.2
62.46930	0.3
65.65491	0.3
70.11138	1.2
70.11487	0.8
71.01378	4.7
72.99305	16.9
74.02754	0.4
75.00870	100.0
76.01217	0.8
83.66411	0.3
84.58227	0.3
87.00878	1.4
89.02441	4.8
98.19965	0.4
99.00923	0.4
117.00715	0.4
117.01936	3.2
134.88370	0.6
135.02994	22.4
136.03339	0.9
139.62747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.03
Annotation	Threonate
Peak:m/z	Relative Intensity
58.00577	0.5
59.01377	10.2
62.46930	0.3
65.65491	0.3
70.11138	1.2
70.11487	0.8
71.01378	4.7
72.99305	16.9
74.02754	0.4
75.00870	100.0
76.01217	0.8
83.66411	0.3
84.58227	0.3
87.00878	1.4
89.02441	4.8
98.19965	0.4
99.00923	0.4
117.00715	0.4
117.01936	3.2
134.88370	0.6
135.02994	22.4
136.03339	0.9
139.62747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.03
Annotation	Threonate
Peak:m/z	Relative Intensity
59.01380	10.3
67.77001	0.6
69.69862	3.6
71.01387	4.2
72.99309	17.5
75.00871	100.0
76.01238	1.1
85.27826	0.7
87.00874	1.6
89.02449	7.1
98.19859	0.6
107.05015	1.2
110.87509	0.6
117.01926	2.6
119.03875	0.6
134.03690	3.1
134.89479	1.8
135.02995	24.6
135.04526	16.6
136.04913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00394	0.3
57.37407	0.3
65.01445	1.3
68.02530	0.4
68.72525	0.3
70.90145	0.9
71.01337	0.3
72.99284	0.7
75.00860	2.0
80.02533	0.8
89.48521	0.3
91.66861	0.3
92.02545	9.2
92.60960	0.3
107.03638	35.9
108.03973	0.9
122.00589	0.4
134.04729	100.0
135.05244	2.7
151.78679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.03
Annotation	Threonate
Peak:m/z	Relative Intensity
53.04825	0.7
59.01379	10.6
59.18547	0.5
69.80600	1.0
69.81006	2.7
71.01376	4.5
72.99303	19.3
75.00871	100.0
87.00882	1.2
89.02438	7.2
91.00219	0.6
98.20560	1.0
101.05814	0.6
107.05034	0.8
117.01920	2.1
123.90250	0.8
134.03761	2.2
134.86629	0.9
134.89490	3.9
135.02992	20.3
135.04526	13.8
135.86539	0.7
136.03299	0.8
136.04868	0.8
139.79840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	Leucinic acid
Peak:m/z	Relative Intensity
69.03460	11.5
73.02937	1.0
80.28844	0.7
85.02953	3.5
85.06590	100.0
86.06934	3.7
98.19872	2.2
113.06083	2.3
129.05534	1.6
131.03474	0.8
131.07143	37.3
132.07515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53645	0.7
60.56327	0.7
69.03452	13.6
70.98727	0.6
85.02975	1.6
85.06588	100.0
86.06937	4.1
113.06097	3.3
129.05568	1.7
131.07144	37.4
132.07481	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
56.82239	1.0
59.01379	1.5
69.80480	4.6
71.01382	73.4
72.01721	1.7
72.99309	17.3
87.00882	4.0
89.02451	7.8
115.00373	100.0
116.00668	2.5
117.48912	1.0
133.01434	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	133.0144
Annotation	(S)-Malate
Peak:m/z	Relative Intensity
52.41793	1.1
57.78306	1.0
59.01363	2.7
69.54220	3.5
69.54630	2.9
71.01385	75.6
72.01729	1.9
72.99310	17.9
77.25427	1.0
84.98215	1.0
87.00863	3.4
89.02438	8.3
92.02558	7.0
94.30853	1.0
107.03642	30.4
115.00378	100.0
116.00701	3.3
132.86777	10.1
133.01439	21.0
133.02914	1.5
133.05084	2.7
134.04732	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
51.72285	17.0
55.01864	22.5
67.01894	45.0
68.99810	31.1
69.40186	100.0
85.02936	45.5
98.19851	27.2
128.85674	16.8
128.90161	48.6
129.01917	45.3
129.05568	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0874
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.87387	1.2
70.84448	2.4
71.96265	1.1
73.02924	2.1
79.68375	1.1
85.02950	7.0
87.04533	2.1
109.38158	1.0
111.23993	1.2
113.75639	1.1
127.75808	1.1
130.08739	100.0
131.03500	2.3
131.09079	3.2
131.86249	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	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01868	17.6
57.03452	45.8
62.46463	4.1
64.32500	3.9
64.49739	4.5
66.98847	4.4
67.01892	100.0
68.02193	4.1
68.99812	11.4
71.01363	13.3
71.50562	5.2
71.50955	4.9
72.99300	10.2
73.02950	5.9
74.85822	4.1
75.92226	4.9
79.10423	4.9
83.01395	9.9
85.02947	63.2
87.00864	7.5
88.04010	6.5
93.67146	4.7
99.00878	5.1
101.02455	6.8
111.00917	5.4
129.01942	26.0
129.05553	19.3
130.00462	5.2
130.08711	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	129.0194
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01882	14.2
55.10733	4.6
57.03449	45.8
62.13633	4.9
67.01885	100.0
68.99805	4.8
69.98842	21.5
71.01384	10.3
71.95672	4.9
72.99330	5.2
85.02930	39.3
87.00877	8.1
90.53632	4.5
98.20543	8.2
99.00869	6.5
101.02428	5.0
110.03397	4.1
128.90141	13.0
129.01941	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
55.01886	27.0
69.19900	100.0
85.02954	43.1
101.58645	12.6
115.60490	12.5
128.90149	28.8
129.05568	40.6
129.07426	12.0
130.08780	16.3
131.03065	13.2
138.60976	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
79.44681	2.3
80.36605	2.2
93.03442	8.8
94.03008	2.8
108.02158	3.4
121.02953	100.0
122.02475	3.3
122.03279	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
58.59163	1.3
66.03500	1.5
79.28317	1.2
93.03439	7.8
94.02988	6.0
101.70336	1.5
108.02219	3.0
115.71120	1.3
121.02956	100.0
122.02468	4.8
122.03260	3.2
139.58064	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	127.0765
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
59.01366	17.3
64.09902	7.3
71.01361	9.9
71.12630	15.7
71.15079	7.1
109.06622	16.8
126.90424	28.1
127.04004	10.8
127.07661	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
55.48476	0.7
55.65326	0.8
56.61957	0.8
69.56760	5.6
72.99324	1.0
91.05520	1.3
93.03475	4.7
96.33124	0.8
101.92387	1.7
118.92667	3.4
119.05026	100.0
120.05362	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	1193.7718
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05016	0.6
87.00845	0.3
95.01425	0.2
101.02440	0.8
113.02432	0.4
125.02422	0.4
129.21533	0.2
131.07927	0.2
140.00536	0.2
161.04512	0.5
163.11281	0.4
164.00609	0.2
165.12788	0.2
165.93379	0.2
209.11815	26.9
210.12210	0.8
227.12868	3.9
235.08232	2.7
235.16988	0.6
253.09235	3.0
254.78993	0.2
277.21707	37.2
278.22034	1.9
423.32529	0.4
427.19696	0.3
445.20847	1.0
451.32260	0.4
469.33191	100.0
470.33563	8.4
513.30615	2.1
723.43195	0.4
995.50110	0.3
1193.55591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1195.7864
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05026	0.5
89.02441	0.2
94.23995	0.1
101.02438	0.3
113.02462	0.3
161.04518	0.2
163.11287	0.5
165.12839	0.3
191.10841	0.2
209.11819	26.6
210.12155	1.8
211.12279	0.1
227.12880	3.3
228.13177	0.2
235.08278	0.6
253.09288	1.9
254.09541	0.2
277.21713	16.0
278.22058	1.4
279.21994	0.1
344.61160	0.1
391.30069	0.2
425.33673	0.2
426.34924	0.2
445.20746	2.2
446.21063	0.2
463.22141	0.1
469.33270	4.8
470.33612	6.0
471.34769	100.0
472.35162	7.4
472.42249	0.2
513.30707	0.4
514.31262	0.1
723.43182	0.2
1195.54187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.7036
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05103	0.2
85.03056	0.2
87.00946	0.2
87.20506	0.1
89.02575	0.8
94.74124	0.2
95.05122	0.3
97.03050	0.2
97.06717	1.2
99.01022	0.2
101.02460	1.0
101.06181	0.2
102.42337	0.2
111.08298	0.8
111.29672	0.2
113.02599	0.6
119.03622	0.3
123.08321	0.4
125.02454	0.8
131.08652	0.1
135.08267	0.3
137.09868	0.5
139.11388	0.1
143.03586	0.2
153.09354	0.6
153.82301	0.1
161.04672	0.3
163.11447	0.3
175.11433	0.2
179.05745	0.3
187.15120	0.2
189.12807	0.7
191.14403	0.9
201.02338	0.2
203.14449	0.2
205.16122	0.3
217.16222	0.6
235.08234	0.9
237.14847	0.7
247.17137	0.3
253.09621	0.2
269.19171	0.2
277.21722	4.6
278.22211	0.3
287.07831	0.5
295.20831	0.2
300.99976	0.2
305.08850	0.3
307.24377	0.2
309.22534	0.2
315.38129	0.2
327.23450	0.3
329.25046	0.4
333.22220	0.2
359.23706	0.3
359.27673	0.3
361.29095	0.5
364.29456	0.2
371.27417	0.4
372.24625	0.3
373.25204	0.8
374.26181	0.6
375.26828	2.4
376.27670	0.2
377.28522	0.8
381.28070	0.5
385.27783	0.3
387.26846	0.5
387.31131	1.1
388.31351	0.2
389.24747	0.5
389.28629	4.7
390.29016	0.6
391.25500	0.9
391.30609	1.2
393.27213	1.6
393.32495	1.6
397.13498	11.5
398.13998	0.6
401.28763	0.3
403.26102	0.1
403.30084	3.3
404.30865	0.2
405.32071	2.6
406.28714	6.3
407.29492	2.9
408.29886	0.2
409.27380	0.8
409.31583	4.7
411.32849	0.2
415.14548	3.7
416.14578	0.2
419.29614	0.6
421.31244	7.2
422.31573	0.7
423.32791	20.6
424.28912	0.5
424.33908	1.3
425.30005	1.2
425.34976	4.2
426.35123	0.3
437.30542	1.3
438.30728	0.2
439.32318	16.6
440.32806	1.5
441.33698	20.1
442.34201	1.2
453.30496	0.6
455.31668	1.3
457.33304	1.8
458.33582	0.5
459.34924	2.0
465.30356	0.3
467.31653	2.6
469.33182	100.0
470.33548	8.8
470.40369	0.3
471.34177	0.8
473.32697	0.4
483.31247	0.5
484.31641	0.4
485.32706	13.8
486.33035	1.2
499.30753	0.4
501.32077	4.6
502.32428	5.8
503.33780	47.1
504.34091	3.0
513.32263	2.0
514.32935	0.2
540.29437	0.2
601.70184	0.2
675.35992	2.4
1042.97473	0.2
1179.68396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	0.4
85.02953	0.7
86.61728	0.1
87.00900	0.3
89.02444	6.0
91.01891	0.2
93.03458	0.9
95.01391	0.4
101.02442	4.3
107.01402	0.9
109.02955	0.5
113.02459	2.3
117.03483	0.3
119.03500	3.8
120.02253	0.1
121.02960	0.4
122.03749	0.5
125.02403	0.5
131.03500	0.5
132.02179	0.4
133.02939	0.3
135.00874	0.8
137.02437	0.3
143.03517	1.2
143.05023	0.6
145.02885	0.2
149.02435	1.3
149.04546	0.4
150.03236	2.9
151.00357	1.1
153.01920	0.5
154.04172	0.2
157.06566	0.4
159.04503	0.6
160.01593	0.2
161.02422	0.2
161.04556	1.1
163.00366	1.4
164.04793	0.2
165.01965	0.3
165.05562	2.6
167.03694	0.2
167.05025	0.6
169.01511	0.2
169.06586	0.5
171.04512	0.5
173.02321	0.2
178.99899	0.4
179.05588	3.9
179.07022	0.2
182.03662	0.3
183.04501	1.3
184.05112	0.1
185.02484	0.4
185.06119	1.4
187.04010	1.8
189.05589	0.5
195.04588	0.5
195.06598	2.8
196.05293	0.2
197.06073	0.7
199.03946	0.6
200.04797	0.2
201.05463	0.4
211.03986	2.3
212.04691	0.3
213.05499	1.0
214.02654	0.2
215.03467	0.4
223.96556	0.2
226.02579	0.2
227.03487	53.1
228.03833	1.9
229.05057	6.1
239.03394	1.2
240.04224	0.4
241.04970	1.0
243.03006	0.4
255.02979	71.5
256.03589	7.0
257.04541	3.5
267.02908	0.5
269.04642	0.2
275.01672	0.2
283.02304	0.3
284.03256	63.2
285.04013	57.0
286.04364	2.3
298.08423	0.2
299.05634	0.2
325.10846	0.2
326.07928	0.3
327.05106	0.6
340.12958	0.2
341.10233	1.9
356.12665	0.9
371.14990	3.9
372.15277	0.2
430.52344	0.2
431.09805	100.0
432.10089	5.1
433.10352	0.4
519.20068	2.1
567.21979	0.6
699.26941	0.3
747.28748	10.0
748.29150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
52.99295	0.4
55.01880	0.8
68.22630	0.4
70.70716	0.4
70.71049	0.9
73.02944	100.0
74.03290	2.6
74.59192	0.4
93.44418	0.4
99.00876	8.2
99.92576	0.9
116.92850	2.0
117.01939	12.0
121.09119	0.5
127.55746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22810	0.5
70.84592	0.6
70.84905	0.6
73.02943	100.0
74.03281	2.2
95.78739	0.4
99.00880	9.3
99.92567	1.3
116.92844	2.6
117.01940	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	1169.7363
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05119	0.5
85.03028	0.2
85.06684	0.7
87.04552	0.3
89.02523	0.2
97.06702	0.9
99.08237	0.2
101.02517	0.2
101.79829	0.2
101.89868	0.2
113.02543	0.2
116.92967	0.2
121.06660	0.2
123.04633	0.2
123.08292	0.7
125.02573	0.5
125.06281	0.2
135.04688	0.2
135.08252	0.3
137.02536	0.4
137.09879	0.6
145.03070	0.4
150.03358	0.2
161.02525	0.3
161.04614	0.3
163.04135	0.3
169.01570	0.5
185.13422	0.4
187.14989	0.3
188.12094	0.2
189.12968	0.5
191.05664	0.3
201.01956	0.3
203.14558	0.3
205.15961	6.8
211.15076	0.3
229.01440	0.3
245.01042	0.3
261.10846	0.2
270.98923	0.2
274.01202	0.5
275.02042	0.3
287.20209	0.3
293.19244	0.2
298.98373	0.3
299.99200	0.7
300.99957	1.0
303.21158	0.2
306.19910	0.2
307.17551	0.2
307.20822	0.7
307.24335	0.3
319.24222	0.4
320.21149	0.2
321.22333	1.9
321.25742	0.4
323.23734	1.8
325.21738	0.3
335.23898	0.8
337.21671	0.2
337.25323	3.8
337.29041	0.2
338.25912	0.2
339.26996	1.8
349.25446	0.5
351.23056	0.2
351.26901	2.4
353.24945	0.4
355.26385	1.7
367.26337	0.7
369.27991	2.6
379.30130	2.1
387.25763	0.3
389.27002	0.8
391.26187	1.1
393.27805	1.9
395.29837	0.3
397.31082	0.5
399.25201	0.6
401.27039	1.0
405.23944	0.3
405.32083	0.4
407.29657	2.1
408.29926	0.2
409.26486	0.4
409.31219	4.2
409.36377	0.3
413.26965	1.5
419.29453	1.3
421.26422	0.3
421.31650	2.0
423.32742	25.5
424.32925	1.9
425.30899	0.4
427.32379	0.2
429.30103	0.3
435.29208	0.2
437.30685	2.3
439.32193	14.4
440.32718	1.3
441.33725	100.0
442.34058	6.7
443.31769	0.3
453.30026	0.7
455.31671	5.8
456.32092	0.5
457.33414	0.4
459.29065	0.3
459.35049	4.4
460.35190	0.2
467.31818	0.5
473.32709	10.9
474.32803	0.7
480.05170	0.2
483.30963	0.9
485.32715	78.4
486.33057	6.2
487.33487	0.5
491.33719	0.4
501.32339	1.0
502.32501	0.9
503.33899	25.3
504.34348	2.1
517.31805	0.3
519.33649	0.4
521.34857	0.2
545.34589	0.2
561.10620	0.2
681.29358	0.3
746.10187	0.3
901.14673	0.2
996.95569	0.2
1169.43848	0.4
1169.71814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.7347
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05019	1.0
85.02986	0.2
85.06592	0.8
87.04533	0.1
88.18917	0.1
89.02499	0.1
97.06598	0.8
99.08222	0.1
109.06615	0.1
113.02498	0.2
116.92882	0.1
121.06627	0.1
122.03641	0.1
122.05318	0.1
123.08212	0.3
125.02441	0.2
135.08253	0.3
137.02451	0.1
137.09721	0.6
138.06871	0.2
144.92722	0.1
145.02979	0.1
161.02455	0.1
161.09758	0.1
165.05507	0.1
165.12869	0.2
166.61099	0.1
175.11421	0.1
185.13409	0.2
187.15028	0.3
189.12895	0.3
201.01772	0.1
203.14409	0.2
205.15965	6.7
206.16371	0.2
211.14923	0.2
270.98831	0.1
275.02084	0.3
285.04120	0.1
287.20264	0.3
298.98306	0.1
299.99301	0.2
300.99847	0.6
305.22125	0.1
306.19955	0.2
307.20737	0.7
307.24081	0.2
309.22299	0.1
319.20798	0.1
319.24399	0.3
321.22272	1.7
321.25867	0.3
323.20215	0.1
323.23773	1.0
325.21924	0.2
325.25510	0.2
333.22156	0.1
335.23816	0.5
337.21765	0.2
337.25360	3.4
338.25723	0.2
339.23007	0.2
339.26871	1.7
340.27274	0.1
347.23575	0.2
349.25354	0.5
351.23367	0.2
351.26938	2.2
352.27277	0.2
353.24902	0.5
355.26389	1.7
356.26807	0.1
363.23044	0.2
363.27063	0.1
365.28616	0.1
367.26392	0.4
369.24655	0.1
369.28018	2.8
370.28522	0.3
371.25833	0.1
379.30045	2.1
380.30426	0.3
383.25992	0.1
387.25360	0.3
389.27005	0.8
391.26279	0.8
392.26825	0.1
393.27878	1.5
394.28464	0.1
395.25507	0.1
397.31085	0.5
399.25296	0.7
401.26840	0.9
405.24222	0.3
405.31992	0.2
407.29688	1.9
409.31305	3.1
410.31387	0.3
413.26895	1.6
413.31860	0.1
414.27444	0.1
419.29590	1.1
420.29916	0.2
421.26151	0.1
421.31516	1.8
423.32706	25.8
424.33090	1.9
425.30646	0.4
429.29889	0.2
433.25784	0.1
437.30673	2.2
438.30795	0.2
439.32205	8.7
440.32788	0.6
441.33701	100.0
442.34045	8.1
443.31586	0.3
453.30460	0.6
455.31659	5.1
456.31787	0.4
457.33463	0.1
459.29050	0.1
459.34912	1.9
460.35434	0.1
467.31470	0.6
469.30283	0.2
473.32700	10.6
474.32983	0.8
479.04929	0.1
480.05267	0.2
483.31030	0.7
485.32697	76.2
486.33051	7.5
487.33139	0.4
501.32599	0.5
502.32767	0.5
503.33890	24.0
504.34204	2.2
545.35059	0.1
1028.39758	0.1
1076.28064	0.1
1125.43311	0.1
1169.45276	0.1
1169.74109	0.9
1170.73267	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1167.7198
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04636	1.0
83.05193	4.2
85.06713	0.2
86.01583	0.1
95.05169	0.2
97.06779	1.1
107.04594	0.1
107.05231	0.4
109.05988	0.3
109.06786	1.1
116.36551	0.1
119.05240	0.1
121.06743	0.3
123.08360	0.4
133.06792	0.3
135.04631	0.2
135.07439	0.1
135.08377	0.4
137.09955	0.6
138.06960	0.1
147.08351	0.3
149.09927	0.8
163.11482	0.1
173.09966	0.1
175.11398	0.2
185.13506	0.2
187.14954	0.2
189.12843	2.9
190.99252	0.1
191.14577	0.2
201.13110	0.2
203.14423	1.9
205.15971	6.1
206.16513	0.2
211.15118	0.2
217.16086	0.3
219.13884	1.7
219.17468	0.8
239.18367	0.1
255.17812	0.2
271.17285	0.4
281.22772	0.3
287.20328	0.2
291.17838	0.2
292.18259	0.1
293.23218	0.1
295.20605	0.1
300.99960	0.2
305.19141	0.2
306.20016	0.3
307.20810	0.8
307.24292	0.2
309.22482	0.2
311.23917	0.2
319.21149	0.2
319.24249	0.8
321.18643	0.1
321.22226	2.7
323.20367	0.2
323.23749	0.7
325.21957	0.5
325.25699	0.4
327.23349	0.1
331.24484	0.5
333.22302	0.3
335.20297	0.2
335.23465	0.6
337.21646	0.3
337.25333	3.8
338.25931	0.2
339.23300	0.6
339.27100	1.1
341.24957	0.3
347.24121	0.2
349.25272	1.1
351.23251	0.3
351.27094	1.3
352.27240	0.1
353.21173	0.2
353.25052	0.5
355.22488	0.3
355.26483	2.2
355.30539	0.2
359.26767	0.2
363.27069	0.2
365.24850	0.2
365.28787	0.2
367.26389	1.3
369.24167	0.4
369.28149	2.2
370.28473	0.2
371.26031	0.2
373.27704	0.2
379.30115	1.3
383.29745	0.1
387.25687	0.4
389.27524	0.6
390.25735	0.2
391.26233	1.1
392.27295	0.2
393.27820	1.0
395.29739	0.2
397.31140	0.5
398.31851	0.2
399.25470	0.5
401.26962	0.6
403.30276	0.2
405.27972	0.9
405.32446	0.1
407.29642	2.1
409.31366	2.2
411.24789	0.2
413.26669	0.7
419.29666	1.3
421.31314	4.0
422.31329	0.2
423.32791	17.3
424.33041	1.4
425.30649	2.1
426.31082	0.2
429.29706	0.2
437.30591	2.0
438.30994	0.2
439.32196	13.6
440.32516	0.9
441.33704	100.0
442.34036	7.1
453.29944	0.4
455.31607	7.3
456.32391	0.7
457.33200	52.0
458.33521	3.7
459.34842	1.0
467.31433	0.6
471.30887	0.2
473.32748	2.7
474.33203	0.6
475.34558	1.1
483.31046	0.9
485.32703	52.6
486.33029	4.2
487.33490	0.4
499.30838	0.2
501.32211	28.1
502.32489	2.1
503.33633	0.6
517.31354	0.9
518.32031	1.3
519.33307	11.4
520.33533	0.7
531.33221	0.2
1167.72620	0.9
1168.68604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1165.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	2.9
91.01865	0.2
93.03474	1.4
93.11800	0.1
107.01390	9.9
108.02254	0.2
109.02954	1.9
119.01339	0.3
121.02957	7.7
123.00887	0.4
125.02436	1.0
135.00941	0.3
137.02481	0.1
139.00386	0.2
139.04047	0.4
145.02948	0.2
147.04536	0.2
148.01683	0.3
149.02414	1.1
151.00365	38.4
152.00723	0.8
154.18950	0.1
157.06538	0.2
159.04533	0.5
161.02473	0.4
162.02721	0.1
162.18765	0.1
163.00362	1.7
163.03989	0.5
164.01106	0.7
165.01874	0.3
167.05028	0.1
169.01434	1.4
173.05975	0.1
175.03967	0.5
178.99855	17.8
179.58679	0.1
180.00139	0.3
183.04488	0.5
185.06050	0.3
187.04005	0.8
189.01962	0.2
189.05597	0.2
190.99997	0.2
192.00681	0.4
193.01396	0.9
194.18460	0.2
199.04048	0.2
201.05551	0.6
203.03517	0.5
205.05061	0.3
211.04010	1.0
213.05717	0.2
215.03514	0.3
226.02580	0.1
227.03476	1.0
228.04135	0.2
229.01419	0.1
229.05064	1.4
229.67862	0.2
239.03471	0.3
240.04175	0.3
243.02971	1.3
245.04477	1.5
254.02089	0.4
255.02966	4.5
256.03680	0.4
257.04541	0.8
271.02454	7.3
272.03021	0.6
273.04019	2.3
283.02502	0.7
299.01904	0.4
300.02744	11.2
301.03510	100.0
302.03854	4.4
313.05600	1.9
463.08801	1.4
464.09021	0.2
505.09879	11.6
506.10522	0.7
507.10617	0.1
615.09875	51.5
616.10175	4.4
672.46863	0.2
723.63837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.707
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01372	0.2
83.05029	0.2
85.02956	0.4
87.00886	0.5
87.04535	0.1
89.02441	1.4
90.02784	0.1
94.30185	0.1
95.01346	0.2
97.02963	0.5
97.06579	0.2
99.00875	0.2
101.02444	1.7
103.04012	0.1
109.06615	0.1
113.02447	1.0
115.03974	0.1
115.84636	0.1
119.03499	0.5
123.08138	0.1
125.02439	1.2
131.03496	0.1
139.04050	0.1
143.03516	0.3
161.04517	0.7
169.01422	0.2
179.05612	0.6
179.14398	0.1
189.12958	0.1
205.15862	0.1
217.07178	0.1
221.06686	0.2
235.08206	1.3
236.08485	0.2
253.09303	0.3
263.07803	0.2
275.01874	0.2
277.21713	6.5
278.22009	0.8
279.22507	0.1
287.07751	0.5
289.08401	0.1
289.76770	0.1
299.99417	0.1
300.99875	0.3
305.08688	0.6
306.08963	0.1
307.24225	0.2
308.24564	0.1
323.09781	0.1
339.26743	0.2
340.27164	0.1
351.26718	0.1
352.27661	0.2
369.27734	0.1
375.26553	0.1
377.28568	0.3
378.28802	0.2
379.12152	0.1
379.30035	0.2
381.31497	0.3
382.02267	0.1
383.25885	0.3
384.26321	0.2
388.31339	0.1
389.28387	0.3
390.28830	0.1
391.30075	0.2
393.31625	0.2
394.31815	0.3
395.29288	0.1
397.13480	17.6
398.13815	2.4
399.14020	0.7
399.32779	0.1
403.30634	0.1
405.27365	0.1
405.31940	0.2
407.28708	0.4
407.33850	0.1
408.29929	0.3
409.31027	1.0
410.31686	0.4
411.32483	0.3
415.14548	5.3
416.14841	0.6
417.15115	0.3
421.30792	0.1
422.31549	0.1
423.32980	0.6
424.33069	0.3
425.30688	0.7
426.31018	0.3
427.32132	2.4
428.32376	0.2
436.29886	0.1
437.30624	0.3
438.30844	0.4
439.31644	0.3
441.34369	0.6
442.34317	0.3
443.31531	0.7
443.35873	0.3
453.29974	0.3
454.30380	0.2
455.31668	1.8
456.31985	1.5
457.32495	0.9
467.31689	1.4
468.31985	1.4
469.33408	2.4
470.33566	0.1
471.31174	0.4
485.32736	10.6
486.33093	14.1
487.34232	100.0
488.34613	7.1
513.31854	0.1
675.35889	2.8
676.36072	0.6
677.36621	0.3
769.08893	0.1
825.26495	0.1
826.27631	0.2
1163.71094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1161.6943
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	0.1
83.01389	0.2
83.05032	0.2
85.02962	0.5
87.00869	0.5
89.02444	1.5
92.80922	0.1
93.03512	0.1
93.98337	0.1
95.01379	0.1
97.02967	0.3
97.03484	0.1
97.06590	0.4
99.00892	0.1
99.04535	0.1
101.02436	1.8
109.02955	0.1
113.02448	0.9
113.06037	0.1
119.03481	0.5
121.02943	0.1
123.08179	0.1
125.02455	1.0
131.03505	0.1
133.05064	0.1
134.76601	0.1
135.08154	0.1
139.04062	0.1
143.03468	0.4
145.02982	0.1
153.09270	0.1
161.04578	0.6
163.11292	0.1
167.03522	0.1
169.01450	0.1
175.11203	0.1
179.05606	0.6
189.12833	0.2
221.06596	0.2
235.08215	1.3
245.06665	0.1
253.09157	0.3
272.59766	0.1
275.02008	0.1
277.21701	6.4
278.21933	0.3
287.07782	0.5
300.99893	0.2
305.08804	0.7
323.09647	0.1
323.24002	0.1
339.26947	0.2
353.24826	0.1
357.28549	0.1
361.25177	0.1
363.26944	0.1
367.26181	0.1
369.27948	0.5
373.25330	0.1
375.26450	0.4
375.30679	0.2
377.28433	1.6
378.28751	0.1
379.12421	0.1
387.31107	0.1
389.28342	0.2
391.25818	0.1
391.30087	0.3
392.31042	0.1
393.31650	2.6
394.32175	0.1
395.29556	0.2
397.13474	18.8
398.13708	0.7
403.30023	0.5
405.27094	0.1
405.32083	0.6
406.28598	0.1
407.29532	0.9
409.31686	0.1
411.32565	0.4
415.14539	5.6
416.14639	0.2
419.29935	0.3
421.31262	0.9
422.31631	0.1
423.32870	1.5
424.33054	0.1
425.30603	2.2
426.30591	0.1
437.30576	1.3
438.30579	0.1
439.32068	0.9
440.32397	0.2
441.33768	0.9
451.28622	0.4
453.30161	0.2
455.31769	0.5
465.30087	1.8
466.30487	0.2
467.31638	14.6
468.32016	1.1
481.29449	0.2
483.31244	0.4
484.31555	0.5
485.32697	100.0
486.33051	7.1
499.30640	0.2
590.75983	0.1
675.35931	4.0
676.36029	0.3
1161.69849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	3.3
83.01386	7.6
85.02946	1.2
87.00876	1.1
89.02450	1.8
89.68304	0.3
91.05527	0.5
91.22646	0.3
93.03465	2.7
95.01391	1.1
95.05033	1.7
97.02945	3.9
99.00899	0.3
99.04507	1.6
100.70834	0.3
101.02435	3.1
107.05050	0.9
108.02174	0.6
109.02953	5.5
113.02430	1.2
119.03527	0.5
119.05017	0.6
120.02158	0.7
121.02959	4.6
122.03736	1.2
123.00905	0.5
123.04548	1.9
124.01656	1.0
125.02448	36.8
126.02818	0.5
130.04282	0.7
131.05022	0.7
133.02948	0.9
135.04532	3.1
137.02448	29.2
138.03326	0.3
139.04044	1.4
143.04951	0.5
145.02960	0.6
146.03738	14.8
147.04509	1.5
148.05333	0.3
149.02403	1.8
149.06044	0.7
150.03244	0.8
151.04008	2.4
151.90851	0.3
158.03761	0.9
158.49120	0.3
159.04524	7.8
160.05296	2.5
161.02417	1.6
161.04797	0.4
161.06038	1.9
162.03217	0.6
163.00339	0.8
163.03984	0.9
163.99765	0.3
164.01157	9.5
165.01927	20.2
166.02298	0.3
167.03493	11.8
167.04930	0.7
169.01370	0.4
171.04413	0.4
172.05284	4.6
173.06079	3.3
174.03214	8.5
174.06790	2.6
175.04007	3.2
175.07697	0.4
176.04802	2.3
177.01947	4.1
179.03490	7.1
181.05026	0.7
183.04514	0.6
184.05278	0.5
185.06056	1.7
186.06824	2.2
187.04008	4.4
187.07614	0.5
188.04779	6.1
189.05605	1.8
190.02733	0.7
191.03540	0.5
196.05299	1.2
197.06093	1.1
197.09309	0.3
198.03325	0.3
198.06859	0.8
199.04095	0.7
199.07635	1.1
200.04776	4.1
200.08392	0.7
201.05568	3.4
202.06328	1.1
203.03511	0.4
204.04283	3.7
209.06032	2.3
210.06851	1.6
211.04120	1.6
211.07635	1.0
211.13443	0.8
212.04776	6.4
212.08127	0.3
213.05510	1.4
213.09081	0.4
214.06331	0.7
217.05031	0.6
217.12337	0.5
218.05798	0.7
220.07356	0.4
221.06664	1.0
222.06863	0.7
223.07587	1.0
224.04791	1.6
224.08391	0.5
225.05573	4.2
225.09244	0.5
225.12814	0.7
226.06371	2.3
227.07076	1.4
228.07970	0.5
234.06900	0.4
235.07855	0.6
236.04846	0.6
237.05521	1.8
237.09274	0.4
238.06146	0.8
239.07106	1.3
241.08673	0.4
241.12444	0.5
243.13824	1.4
244.07344	0.9
245.11719	0.4
250.06448	0.5
251.07097	2.4
252.07956	2.4
253.05196	0.4
253.08835	0.5
253.12309	0.6
254.05673	0.5
255.13914	2.9
257.11859	0.4
264.07834	0.4
265.08685	1.0
267.13876	0.7
268.07440	1.8
268.10257	0.3
268.10767	0.3
269.04538	0.6
269.08478	0.7
269.11832	4.5
269.14954	0.5
270.05286	0.3
270.09012	2.1
270.12552	1.0
271.13397	20.5
272.13843	0.8
276.07944	0.5
277.05014	0.3
277.08722	0.3
277.21719	8.0
278.21765	0.4
281.08017	0.5
281.11777	0.8
281.14914	0.3
283.13391	3.5
285.14923	2.4
287.05688	1.1
287.12897	1.0
288.06393	0.9
289.14438	4.9
292.07294	0.5
293.08075	0.5
294.09009	4.5
295.13306	2.7
297.15063	2.3
299.12897	8.0
299.16058	0.4
300.13580	1.0
301.14349	2.2
307.13422	0.7
309.15002	1.9
311.13007	0.4
312.10281	0.4
313.14447	10.4
314.14835	0.4
315.15997	2.0
317.13831	2.8
320.06906	1.2
321.14886	0.4
325.14453	9.1
325.17960	0.4
326.14795	0.7
327.15857	0.8
331.15509	1.5
333.14740	0.4
335.12988	0.6
335.16522	3.3
337.14438	7.7
338.15079	0.4
341.13858	0.5
343.15469	4.5
349.18076	0.6
351.16003	1.8
353.13885	0.4
353.17661	1.8
355.15460	2.1
359.16583	0.4
361.14188	0.6
369.16971	1.2
375.16129	0.6
376.16608	0.6
377.17645	3.4
378.17627	0.4
379.15488	2.3
391.15164	0.8
391.19205	1.0
393.17050	2.6
395.18600	4.5
397.13055	0.5
401.17935	1.5
409.20654	0.4
413.19687	1.1
419.18591	10.9
420.18890	0.6
421.16562	0.5
437.19617	6.2
445.16541	1.2
455.20468	0.5
463.17477	3.9
481.18469	0.9
729.29803	1.4
753.30017	0.6
835.34204	1.8
861.31775	0.7
869.50360	0.4
879.33179	1.3
947.49493	0.6
959.49371	1.0
971.49200	0.4
975.49548	1.1
989.51196	17.0
990.50702	2.7
1001.51123	10.4
1002.52142	0.9
1013.51062	10.8
1014.52008	1.0
1019.52228	11.2
1020.52637	1.2
1031.52588	0.9
1055.52661	1.7
1056.52771	0.4
1067.57263	0.5
1071.54944	1.1
1095.55371	16.5
1096.56091	2.3
1113.54932	4.3
1114.54407	0.5
1121.53235	7.6
1122.53748	0.9
1139.54285	100.0
1140.54272	15.2
1157.55322	69.8
1158.55603	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	1157.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	3.3
83.00915	0.6
83.01385	8.7
85.02953	1.3
87.00854	1.5
89.02444	1.7
89.03976	0.5
91.05520	0.4
93.03468	2.4
95.01389	1.7
95.05013	1.6
97.02950	4.1
99.00864	0.4
99.04512	2.1
101.02441	3.9
107.05020	1.3
108.02168	0.9
109.02948	5.3
111.04486	0.4
113.02425	1.6
117.03443	0.4
120.02176	0.8
121.02962	4.3
122.03721	1.3
122.72691	0.4
123.00887	0.8
123.04504	1.7
124.01653	0.9
125.02445	38.1
130.04199	0.4
131.05020	0.7
133.02927	1.0
135.04539	3.1
136.01596	0.4
137.02443	30.4
138.02759	0.5
139.03978	1.0
142.78395	0.3
145.02997	0.8
146.03734	16.8
147.04550	1.7
147.65707	0.4
148.01613	0.4
149.02470	1.7
150.03242	0.8
151.04047	2.5
157.06616	0.5
158.03745	0.5
159.04517	6.9
160.05299	2.9
161.02440	1.5
161.06055	1.9
162.03209	0.8
163.00345	0.8
163.03984	0.8
164.01151	9.1
165.01930	19.6
166.02255	0.3
167.03493	13.1
169.01314	0.5
169.06308	0.5
171.04570	0.6
172.05284	4.1
173.02354	0.5
173.06041	2.8
174.03221	8.4
174.06821	2.2
175.03961	2.2
176.04753	1.5
177.01918	3.5
179.03508	7.8
181.05029	0.6
183.04517	0.7
184.05292	0.6
185.06070	2.1
186.06818	1.9
187.03989	4.4
187.07585	0.6
188.04790	5.2
189.05568	1.7
190.02611	0.5
191.03540	0.4
196.05293	0.7
197.06082	1.5
198.03174	0.4
198.06891	0.6
199.03934	0.7
199.07632	1.1
200.04776	4.6
200.08401	0.7
201.05557	2.9
201.09193	0.4
202.06210	0.8
203.03375	0.4
204.04245	3.4
209.06001	2.2
210.06842	2.0
211.03949	1.3
211.07535	1.0
211.13359	0.7
212.04773	5.3
212.08299	0.6
213.05518	1.3
213.09262	0.6
214.06279	0.6
215.06914	0.4
215.10706	0.6
218.05637	0.4
221.06613	3.1
222.06787	0.8
223.07574	1.4
224.04730	1.1
225.05560	4.0
225.12918	0.4
226.06279	2.0
227.07130	0.9
228.07895	0.6
232.02048	0.3
232.04762	0.3
235.07906	0.5
236.04767	0.8
237.05513	1.6
238.06435	0.5
239.07010	1.3
241.05139	0.4
241.12378	0.5
243.06682	0.6
243.13850	1.2
244.07396	0.8
245.11919	0.4
250.06329	0.7
251.07088	2.3
252.07841	2.9
253.04932	0.4
253.12314	0.4
255.13933	2.1
265.08676	0.9
267.06653	0.4
268.07343	1.6
269.04315	0.4
269.08209	0.9
269.11819	3.3
269.15341	0.8
270.05389	0.4
270.08932	2.1
270.12469	0.8
271.13385	21.3
272.13724	0.8
276.07852	0.9
277.21707	4.5
278.05923	0.4
280.07199	0.4
281.08398	0.4
281.11746	0.7
281.15311	0.4
283.13425	3.2
285.14893	2.9
287.05640	0.4
287.12961	2.2
288.06268	0.8
289.14432	8.2
293.08276	0.6
294.08945	3.2
295.13354	2.3
297.14938	3.1
299.12924	6.3
299.16415	0.7
300.13528	0.8
300.99957	1.1
301.14429	3.5
302.14755	0.4
303.16019	0.4
309.14917	1.8
311.12860	0.6
311.93921	0.4
313.14459	10.6
314.14761	0.7
315.16028	2.2
316.13071	0.5
317.13895	5.1
318.14517	0.7
319.13208	0.6
320.06866	1.2
325.14478	10.0
325.17981	0.5
326.14783	0.6
327.16092	1.3
331.15512	3.2
335.12701	0.7
335.16544	3.3
337.14450	6.8
338.15012	0.4
343.15433	4.1
349.18088	0.6
350.14868	0.4
351.16107	1.6
353.13812	0.4
353.17630	2.0
354.14633	0.5
355.15411	2.9
359.16730	0.4
361.14136	0.4
365.17612	0.4
367.19443	0.4
369.16965	1.2
373.16638	0.4
375.15933	0.6
377.17682	3.1
379.15652	1.9
379.20139	0.4
391.19186	1.1
393.16925	1.8
395.18579	4.2
397.16626	0.8
401.17715	1.6
411.18103	0.9
413.19727	1.7
419.18661	10.1
420.18921	0.6
421.16531	0.7
437.19720	7.5
438.20193	0.5
445.16553	1.3
463.17685	2.8
481.18430	1.3
485.32565	0.4
715.28363	0.6
729.29828	3.3
741.29474	0.7
753.29755	1.5
759.30487	0.7
785.43512	0.5
817.33014	0.9
835.34058	4.7
853.34808	0.5
861.31427	0.7
863.15143	0.4
879.33002	3.0
897.33514	0.8
947.49896	0.8
959.49500	1.1
973.51770	1.2
975.49573	1.2
989.51184	19.5
990.51593	3.0
1001.51245	10.4
1002.51031	2.0
1013.51178	11.8
1014.51172	1.8
1019.52301	12.5
1020.51440	1.6
1031.51465	1.1
1055.51929	2.1
1067.55383	0.5
1071.55408	1.4
1072.57056	0.5
1095.55383	18.6
1096.55676	2.9
1113.54150	4.0
1114.54590	0.9
1121.53235	6.7
1122.53577	1.4
1139.54272	100.0
1140.54333	18.1
1157.55322	64.6
1158.55640	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	1155.7565
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05012	0.9
85.06583	1.0
89.02484	0.1
93.03576	0.1
97.06642	0.3
99.08210	0.2
101.02506	0.1
109.06698	0.4
113.02503	0.1
121.02959	3.2
123.08212	0.2
125.02529	0.1
134.03807	0.2
135.04622	0.1
135.08246	0.1
137.02545	0.1
137.09814	0.5
149.09839	0.2
161.02493	0.3
165.12952	0.1
169.08783	0.2
187.15031	0.2
189.12907	0.2
205.15987	3.1
205.17897	0.2
209.11877	0.1
237.15042	0.2
247.17084	0.2
255.06767	0.2
269.19272	0.2
297.22211	0.2
307.20776	0.2
310.94290	0.1
317.21158	0.2
321.22345	0.5
323.23898	0.5
325.09357	0.2
325.21799	0.2
325.25165	0.7
337.25296	0.6
339.23294	0.3
339.27090	0.2
341.24973	0.3
343.26343	0.6
350.26218	0.1
351.26978	0.4
353.28513	0.2
355.26669	0.3
357.24289	0.2
367.26266	0.4
368.26773	0.3
369.27963	0.7
370.28339	0.3
371.29422	0.6
375.25723	0.2
377.28387	0.3
379.30112	0.2
381.31686	0.2
387.25534	0.2
389.27634	0.4
390.27545	0.2
391.25858	0.2
391.30316	0.3
393.27649	1.0
393.32397	0.2
395.29611	1.2
397.30844	0.1
399.25247	0.3
399.33047	0.2
405.31808	0.8
407.33472	1.8
409.31305	1.3
411.28406	0.2
411.32928	2.0
413.26694	0.2
414.26959	0.2
415.28281	0.2
421.31485	0.3
423.32999	2.0
424.33176	0.2
425.34305	17.9
426.34512	1.3
427.32285	1.8
437.30707	0.4
439.32132	1.5
440.32568	0.3
441.33856	6.0
442.34073	0.8
443.35315	43.2
444.35651	2.9
445.33286	0.2
455.31552	0.5
457.33246	2.1
461.29150	0.6
461.36346	0.7
467.31952	0.2
469.33234	11.4
470.33514	1.3
473.33273	0.2
475.34311	8.2
476.34592	0.5
483.31213	0.2
485.32922	0.9
486.33282	0.2
487.34299	100.0
488.34607	7.9
489.34961	0.4
501.33118	0.1
503.33905	3.9
504.34250	5.4
505.35483	82.8
506.35800	6.0
513.32227	0.4
519.33099	0.4
1155.49561	0.2
1155.75671	3.6
1156.76001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.7405
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05029	0.8
85.06597	1.2
90.91770	0.2
94.75552	0.1
97.06577	0.2
99.08199	0.3
99.92581	0.9
102.20267	0.2
109.06606	0.3
116.92859	3.2
119.08703	0.7
125.02493	0.2
133.67474	0.1
134.46196	0.2
135.08214	0.3
145.02969	0.2
150.07719	0.1
155.08685	0.2
165.72498	0.1
169.10205	0.4
175.04007	0.2
189.12885	0.4
198.57123	0.2
203.14441	0.3
205.15958	2.4
205.17732	0.2
207.13847	0.2
233.15526	0.2
249.14984	0.6
255.17558	0.4
275.18082	0.2
289.19788	0.3
299.99503	0.2
301.00082	0.3
305.22562	0.8
307.20667	0.7
309.22336	0.2
318.46365	0.2
321.22235	0.3
323.23825	0.3
333.22281	0.2
335.23837	0.2
337.25247	0.3
339.23151	0.2
343.20636	0.2
345.22202	0.4
349.25278	0.4
351.26938	3.4
352.27179	0.3
355.26648	0.2
361.25284	0.7
365.28445	0.4
367.26376	0.4
369.27960	7.6
370.28448	0.5
373.25284	0.3
375.26846	0.5
377.28473	8.0
378.28766	0.6
379.26212	0.3
381.28027	0.4
383.29626	0.5
387.29025	0.3
389.26974	5.5
390.27179	0.3
391.25558	0.7
391.30698	0.9
393.31628	22.9
394.32059	1.9
395.29691	1.0
397.31052	0.7
401.27017	2.5
405.31769	1.1
407.29544	3.5
409.27194	0.9
409.31757	2.4
411.32889	2.9
412.33264	0.2
413.26413	2.0
413.30966	0.6
419.29898	0.4
421.27243	0.5
423.28693	0.6
423.33823	0.9
425.30591	11.9
426.31036	1.0
427.32162	7.0
428.32416	0.7
429.33746	1.8
437.30521	1.5
439.32260	1.4
440.32883	0.2
441.34311	2.0
443.31631	1.1
445.26157	0.2
455.31699	2.9
457.33249	14.5
458.33640	1.1
459.34784	36.5
460.35092	3.1
467.31464	0.3
469.32980	0.4
471.31216	0.2
473.32727	7.3
474.33273	0.6
485.32880	1.7
487.34381	3.1
488.34561	0.3
489.32059	0.2
491.33755	100.0
492.34082	8.4
493.34329	0.5
501.32477	1.1
502.31699	0.2
503.33835	62.8
504.34198	5.0
517.31531	0.2
535.32684	1.3
637.51453	0.2
707.98633	0.2
768.92322	0.2
1037.21265	0.2
1153.72668	0.7
1191.42102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.7419
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05032	1.1
85.06590	1.3
87.01009	0.1
87.08187	0.1
97.06619	0.4
99.08163	0.2
99.92581	1.2
109.06608	0.3
116.92861	3.6
117.01970	0.2
117.92908	0.2
119.08662	0.9
121.02992	0.2
121.06664	0.1
125.02496	0.2
127.00304	0.2
133.02907	0.1
135.08165	0.2
145.02972	0.4
155.08688	0.3
161.02446	0.2
163.07533	0.1
169.10213	0.4
189.12897	0.4
203.14389	0.4
205.15962	3.2
205.17697	0.2
206.16425	0.2
207.13850	0.3
239.14426	0.2
249.14983	0.6
255.17368	0.3
275.18109	0.3
289.19620	0.4
291.17560	0.2
295.20901	0.2
295.24481	0.1
299.99088	0.2
300.99890	0.3
305.19150	0.1
305.22794	0.6
307.20599	1.0
309.22354	0.4
311.23892	0.2
319.24228	0.2
321.22256	0.4
323.23782	0.4
325.21835	0.2
333.22235	0.2
335.23892	0.4
337.25507	0.6
339.23166	0.3
339.26956	0.2
345.22275	0.5
345.25961	0.2
349.25400	0.6
351.26923	5.2
352.27319	0.4
355.26630	0.4
361.25452	0.7
363.23129	0.2
363.27197	0.2
365.28564	0.6
367.26410	0.5
369.27960	11.9
370.28516	0.7
373.25211	0.3
375.26892	0.6
377.28464	7.7
378.28876	0.5
379.26273	0.6
381.27997	0.7
383.29541	0.4
387.29166	0.4
389.26984	9.0
390.27313	0.7
391.25681	0.7
391.30841	0.7
392.26541	0.2
393.31628	22.4
394.31995	1.8
395.25229	0.2
395.29636	1.6
397.31131	1.2
401.26950	4.6
402.27240	0.4
405.27615	0.2
405.31970	1.2
407.24631	0.2
407.29559	3.3
408.29678	0.3
409.27225	0.7
409.31644	2.7
411.33041	2.9
412.33002	0.2
413.26419	3.8
413.30890	0.8
414.27090	0.2
419.29993	0.2
421.26819	0.3
421.31357	0.5
423.28549	0.5
423.33710	1.0
425.30600	12.7
426.31021	0.9
427.32208	7.1
428.32291	0.7
429.33841	2.8
430.33844	0.2
435.29272	0.2
437.30811	1.4
438.31088	0.2
439.32480	1.6
440.32782	0.2
441.34320	2.1
442.34039	0.2
443.31924	1.3
444.66553	0.1
445.26349	0.2
451.28021	0.2
453.30463	0.2
455.31619	3.4
456.32086	0.3
457.33249	15.6
458.33618	1.3
459.34793	36.7
460.28848	0.1
460.35098	3.0
467.31848	0.5
469.33151	0.5
471.30969	0.3
473.32678	7.2
474.33011	0.6
480.05658	0.2
485.32953	2.1
487.34390	3.5
488.34601	0.5
489.32275	0.3
491.33752	100.0
492.34088	8.6
493.34247	0.7
499.30441	0.2
501.32132	1.5
502.32608	0.5
503.33798	99.9
504.34161	8.2
505.34619	0.3
517.31659	0.2
535.32776	1.1
945.34973	0.2
1153.73157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.7245
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03410	0.1
83.05030	0.1
85.26649	0.1
86.22482	0.1
91.45861	0.1
97.06602	0.2
98.19817	0.2
100.75745	0.1
101.06067	0.1
108.15631	0.1
109.06591	0.2
113.10556	0.1
119.08646	0.1
123.08159	0.1
168.90997	0.1
175.11320	0.1
191.14410	0.2
205.15994	0.1
230.34213	0.1
265.37384	0.1
271.54605	0.1
343.24310	0.2
357.25848	0.7
359.27423	0.6
363.26654	0.1
369.27954	0.2
371.26709	0.1
373.25327	0.3
373.29071	0.3
375.26990	0.3
377.28455	0.2
379.29987	0.2
387.30450	0.1
389.28503	1.8
390.28876	0.2
391.26215	0.3
391.30466	0.8
393.31683	0.7
403.25839	0.2
403.30121	0.3
405.27612	0.1
405.32233	0.1
406.28708	0.7
407.29541	4.7
408.29935	0.3
409.26465	0.1
409.31226	1.4
410.31412	0.2
411.32608	0.2
419.29550	0.7
421.31305	0.6
423.32764	1.3
424.33142	0.1
425.30576	0.9
426.30798	0.1
427.32132	0.2
435.29099	0.3
437.30533	0.4
439.32236	1.0
440.32419	0.4
441.33908	2.5
442.34344	0.2
443.31189	0.1
451.28555	0.2
453.29935	0.6
455.31573	0.3
457.33218	6.9
458.33578	3.9
459.34283	2.1
467.31482	1.0
468.31613	0.1
471.31598	0.1
473.32770	1.2
485.32733	10.4
486.33194	0.7
489.32343	0.2
490.32571	0.1
501.32230	1.7
502.32571	1.8
503.33777	100.0
504.34146	6.9
504.41971	0.1
515.30157	0.2
647.38300	0.2
665.39221	0.1
1035.02722	0.1
1151.72351	3.5
1152.72424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.7247
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05035	1.0
85.02898	0.2
85.06564	0.5
87.04541	0.2
93.03446	0.2
97.06564	0.7
101.06025	0.2
108.11461	0.2
109.06563	0.2
123.08128	0.4
125.02409	0.4
137.02370	0.2
137.09703	0.4
145.02908	0.2
149.09700	0.2
169.01424	0.3
173.37866	0.2
189.12819	0.2
205.15952	3.9
206.16307	0.3
208.72408	0.2
299.02072	0.2
299.99179	0.3
300.99783	0.7
307.20682	0.5
321.22327	0.9
321.25620	0.2
323.23679	0.6
335.23892	0.6
337.25284	1.3
339.26733	1.2
349.25204	0.3
351.26968	1.3
353.24921	0.3
355.26544	0.9
367.26398	0.3
369.28168	1.0
377.28748	0.3
379.30124	1.1
385.27582	0.5
387.25781	0.2
387.30679	0.9
389.27597	0.6
391.26236	0.7
393.27814	0.7
393.31702	0.7
397.31207	0.8
398.31473	0.4
399.25269	0.4
403.30396	0.2
405.23892	0.4
405.31558	0.5
406.28857	0.6
407.29755	1.7
409.31393	1.3
411.33487	0.2
413.26749	1.0
419.29581	1.2
421.31381	2.0
422.31790	0.3
423.32736	14.8
424.32990	1.0
425.30664	0.6
429.30026	0.2
437.30560	1.4
439.26642	0.3
439.32245	5.2
440.32510	1.4
441.33710	54.7
442.34076	3.8
443.31567	0.8
452.44876	0.2
453.29913	0.8
455.31720	3.8
456.31946	0.5
457.33197	0.9
458.33713	0.4
459.34961	2.2
460.35437	0.3
461.72461	0.2
467.31696	3.4
468.31595	0.3
471.31052	0.5
473.32715	5.5
474.33160	0.3
483.31070	1.2
484.31512	0.5
485.32712	59.2
486.33151	4.8
487.33835	0.5
489.32101	1.9
490.32294	1.2
491.32928	0.6
501.32364	3.4
502.32761	2.1
503.33777	100.0
504.34155	6.7
505.35458	0.3
647.37750	0.6
764.68579	0.2
1151.46875	0.4
1151.72192	3.4
1152.73340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03478	0.2
83.01400	0.5
83.21087	0.1
85.02959	0.4
87.00880	0.2
89.02441	0.7
93.03469	0.4
95.01385	0.5
97.02953	0.6
101.02428	0.5
107.01390	5.0
108.02205	0.5
109.02948	0.6
111.00895	0.5
112.97337	0.1
113.02464	0.7
117.01978	0.2
117.03489	0.2
119.03539	0.2
121.02976	0.4
122.67559	0.2
123.00892	2.3
124.01656	0.5
125.02442	24.7
126.02796	0.7
127.00423	0.2
132.02214	0.2
135.00899	0.3
135.02994	5.6
136.03352	0.6
136.98784	0.3
137.02434	0.4
139.00389	1.1
139.03989	0.2
140.01161	0.9
143.05035	0.4
148.01686	0.3
151.00365	6.3
153.01915	0.4
155.04951	0.1
156.51338	0.1
157.06618	0.2
159.04517	0.5
161.02417	0.2
161.13335	0.4
162.13683	0.2
163.00336	0.9
164.01070	0.4
166.99797	0.3
167.05046	0.2
168.00658	1.1
169.01414	38.7
170.01759	1.0
171.04509	0.2
178.99831	1.4
179.03424	0.3
183.04453	0.2
185.06084	0.3
187.03990	0.6
189.05560	0.2
193.01378	0.2
197.06128	0.2
199.03999	0.5
201.01990	0.2
201.05539	0.3
201.35002	0.1
205.12308	0.6
206.12666	0.3
211.02293	1.0
211.04045	0.7
213.05551	0.5
214.02626	0.2
215.03419	0.3
226.02641	0.5
227.03482	6.8
228.03963	0.4
229.05072	1.4
239.03445	0.6
240.04201	0.2
241.03404	2.3
243.02985	3.7
244.03334	0.2
245.04500	0.2
249.11288	0.2
253.03464	0.5
254.02213	0.5
255.02968	22.2
256.03574	2.0
257.04599	1.4
271.02441	19.0
272.02985	1.3
274.84457	0.2
283.02518	0.5
284.03244	19.7
285.03992	15.9
286.04291	1.0
299.01886	0.6
300.02722	32.0
301.03439	8.0
302.03717	0.3
313.05630	11.2
314.05981	0.5
327.05038	0.5
429.17731	0.3
445.07803	1.1
447.09229	2.6
448.09540	0.2
463.08701	0.5
471.23206	0.2
476.50433	0.2
505.09860	31.7
506.10107	2.0
547.11774	0.2
547.20288	4.4
548.20624	3.9
549.20898	2.2
599.10388	100.0
600.10712	9.9
601.11127	1.1
938.98499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	0.6
83.05006	0.2
85.02951	1.1
87.00874	0.7
89.02442	7.7
93.03479	0.2
95.01392	0.7
97.02945	0.4
99.00859	0.2
99.04530	0.8
101.02439	2.5
107.01388	3.1
109.02995	0.2
111.00891	0.5
113.02441	2.4
113.60924	0.2
117.01941	1.7
119.03505	1.7
123.00887	1.8
124.01670	0.3
125.02444	16.6
126.02768	0.3
135.02992	57.6
136.03310	0.5
139.00372	0.8
140.01199	0.5
143.03510	0.4
149.02522	0.2
151.00351	2.6
153.01932	0.3
161.02440	0.3
161.04562	0.3
161.13356	3.9
163.00383	0.6
165.01944	0.2
167.03474	0.2
168.00661	0.8
169.01414	24.6
170.01765	0.6
178.99792	0.3
179.05623	0.7
185.06131	0.2
187.03989	0.4
187.11197	0.5
193.01387	0.4
205.12309	6.3
206.12703	0.3
211.02441	0.9
211.04187	0.4
213.05495	0.2
223.13361	0.3
227.03461	4.6
229.05043	1.0
241.03426	1.4
249.11288	2.1
253.03416	0.3
255.02954	9.6
256.03699	1.2
257.04602	1.0
267.03067	0.2
271.02393	0.6
284.03253	11.9
285.04004	10.6
286.04395	0.5
292.64026	0.2
300.02722	1.4
301.03467	0.4
313.05627	7.6
314.05936	0.4
327.04944	0.3
367.13968	0.5
385.18661	1.1
429.17645	3.0
447.09155	2.0
463.08649	0.4
523.19507	0.2
547.20288	100.0
548.20624	6.1
548.28992	0.3
599.10394	48.5
600.10760	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	1139.761
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05034	1.1
84.28880	0.2
85.02965	0.3
85.06619	0.8
87.04578	0.3
90.84937	0.2
93.03478	0.3
96.39854	0.2
97.06606	1.1
109.06614	0.2
113.02500	0.2
116.92912	0.2
121.06635	0.2
121.81046	0.2
123.08200	0.4
125.02464	0.5
128.66786	0.2
131.03554	0.4
134.67093	0.2
135.08176	0.3
137.02441	1.0
137.09763	0.6
138.06787	0.3
145.02960	0.4
163.04045	0.2
165.01958	0.3
165.12923	0.4
169.01524	0.2
187.15007	0.3
189.01942	0.2
189.12836	0.4
205.15967	6.3
206.16196	0.3
209.11830	0.3
211.13353	0.3
287.20120	0.2
300.99875	0.4
307.20871	0.4
319.24261	0.3
321.22235	1.9
323.20261	0.3
323.23904	0.8
325.21710	0.3
333.22330	0.2
335.20233	0.3
335.23825	0.6
337.21768	0.4
337.25427	3.0
339.26889	2.1
349.25363	0.4
351.22995	0.3
351.26862	2.3
353.25012	0.3
355.26367	1.8
363.27048	0.4
367.26331	0.3
369.28033	2.3
371.26291	0.3
379.30161	2.2
387.26416	0.5
387.30618	1.9
389.27127	0.8
391.26422	0.8
392.08041	0.2
393.27966	1.5
397.31009	0.7
399.25256	0.7
401.26987	0.8
405.31952	0.5
406.28830	0.4
407.29532	3.1
409.31177	3.1
413.26855	1.7
419.29544	1.1
421.31464	3.2
422.31668	0.3
423.32700	28.4
424.32941	1.9
425.30240	1.7
437.30487	2.3
438.31198	0.3
439.32288	7.8
440.32513	0.6
441.33701	100.0
442.34048	6.9
453.30078	0.9
455.31741	4.9
456.31726	0.4
457.33105	0.7
458.33661	0.5
459.35004	2.2
467.31635	6.8
468.31952	0.5
471.25964	0.8
472.26471	0.3
473.32480	6.8
473.37006	3.7
474.37375	1.5
475.36905	0.6
483.30444	0.9
485.32706	81.8
486.33017	6.8
487.33578	0.4
501.32092	0.6
502.32455	0.6
503.33765	99.4
504.34152	7.5
505.35660	0.4
517.31561	0.3
557.37872	0.2
617.37109	0.5
635.38092	1.0
1107.45093	0.3
1139.76074	4.7
1140.47144	0.2
1140.76172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.7466
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05005	0.2
93.03444	0.1
101.62495	0.1
109.06579	1.0
111.07460	0.1
123.08152	0.1
125.02467	0.1
137.02466	0.1
140.78983	0.1
191.14404	0.2
209.11780	0.1
217.85423	0.1
270.96796	0.1
275.01880	0.1
300.99921	0.4
351.26846	0.3
363.26801	0.2
369.27576	0.2
375.27023	0.2
377.28406	0.3
379.30051	0.4
385.27545	0.1
387.26727	0.2
389.28442	0.4
391.30127	0.4
393.31610	0.4
395.29559	0.3
401.28439	0.7
402.28476	0.1
403.29974	0.3
405.27936	0.3
406.28577	0.2
407.29590	1.8
409.27240	0.2
409.31317	1.6
410.31772	0.1
411.32816	0.6
417.28003	0.5
419.29611	0.6
421.31177	3.0
422.31503	0.3
423.33163	1.0
425.30566	1.6
426.31235	0.1
435.28952	0.3
437.30634	0.3
439.32224	1.7
440.32309	0.4
441.33780	10.5
442.34070	0.6
443.31732	0.7
453.29999	1.1
455.31564	0.8
457.33237	3.4
457.39545	0.2
458.33588	0.8
459.35257	0.9
467.31461	0.4
471.35129	1.9
472.35913	0.2
473.32648	2.8
474.32956	0.1
483.31296	0.3
484.31567	0.4
485.32788	4.8
486.33078	0.5
487.34760	0.2
489.32013	0.2
499.30881	0.2
501.32294	3.5
502.32626	4.4
503.33777	100.0
504.34119	6.8
505.34988	0.1
517.30994	0.5
568.15051	0.1
828.53455	0.1
920.65778	0.2
1137.74670	1.7
1138.75293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.7459
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05046	0.2
88.42222	0.2
96.53133	0.2
97.06610	0.2
102.50707	0.2
125.02409	0.2
129.73041	0.2
137.09705	0.3
149.09735	0.2
167.89865	0.2
175.11295	0.2
300.99921	0.6
339.26941	0.2
351.27084	0.2
352.92996	0.2
355.26282	0.6
361.25320	0.5
367.26425	0.3
373.29083	0.3
375.27036	0.6
377.28467	4.6
378.28979	0.3
379.30176	0.4
389.27469	0.7
391.25861	0.3
391.30286	1.6
393.31717	7.8
394.32242	0.3
395.33749	0.4
403.30423	0.3
405.32016	0.5
407.29395	0.8
407.34100	1.6
409.26520	0.3
409.31461	1.7
410.31747	0.5
411.32843	0.3
415.32236	2.6
419.29559	0.6
421.31219	1.4
422.31601	0.3
423.32742	19.1
424.33295	1.3
425.34369	18.1
425.40283	0.4
426.34738	1.2
437.30542	1.6
438.31076	0.3
439.32147	6.4
440.32593	2.8
441.33850	6.9
442.34360	0.3
443.30905	1.3
453.30127	1.0
454.30453	0.5
455.31512	0.8
457.33411	2.3
458.33633	2.3
459.35358	3.3
467.31439	1.5
469.33218	22.0
470.33588	2.2
471.35480	2.7
472.30902	0.2
473.32846	0.9
483.31281	0.8
484.31558	0.7
485.32712	19.6
486.33215	2.2
487.33984	0.3
490.33194	0.5
501.32294	6.8
502.32632	7.7
503.33871	100.0
504.34302	8.0
505.35400	5.0
506.35928	0.5
515.30457	0.2
640.59180	0.2
789.84210	0.2
859.95880	0.2
946.80737	0.3
1137.48645	0.4
1137.73901	2.0
1138.76807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.7456
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05023	0.1
85.06589	0.0
88.46639	0.0
97.06596	0.1
98.19923	0.1
99.08154	0.0
109.06625	0.1
109.09073	0.0
132.02205	0.1
133.02942	0.3
135.04492	0.1
137.09724	0.1
148.05319	0.2
161.02449	0.8
163.07666	0.0
179.03539	0.1
187.14963	0.0
195.06624	0.1
205.16014	0.2
235.41508	0.0
313.40536	0.0
323.07843	0.1
325.25134	0.0
337.25406	0.1
341.28455	0.1
353.28619	0.1
369.28101	0.1
371.29529	0.4
373.25244	0.1
375.26956	0.1
375.30643	0.1
377.28430	0.2
389.28430	0.1
391.25845	0.0
391.30258	0.2
393.31757	0.3
403.30066	0.1
405.31735	0.5
407.33273	1.6
408.33923	0.1
409.31262	0.1
415.28445	0.1
421.31717	0.2
423.32715	0.9
424.32700	0.0
425.34354	1.6
426.34579	0.1
427.32150	1.6
428.32550	0.1
437.30981	0.2
439.32269	0.5
440.32013	0.0
441.33508	0.1
443.35236	1.0
444.35782	0.1
447.08847	0.0
451.32083	0.1
455.31531	0.4
457.33221	0.1
467.32144	0.2
469.33194	14.8
470.33487	1.0
483.31836	0.0
487.34253	100.0
488.34573	6.9
513.32068	0.4
649.39453	0.3
650.40106	0.0
1002.31653	0.0
1137.74475	2.3
1138.74182	0.4
1143.96753	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	1135.7323
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05039	0.7
93.03459	0.1
97.06618	0.2
109.06606	0.4
126.63634	0.1
133.02997	0.1
137.02475	0.1
159.70901	0.1
175.04004	0.1
186.00137	0.1
245.32520	0.1
300.99756	0.2
313.45215	0.1
361.25287	0.1
377.28452	0.6
379.26492	0.3
381.27777	0.1
387.28659	0.1
389.28436	0.1
391.30273	0.2
393.31897	1.0
395.29300	0.6
397.31287	0.1
399.28976	0.2
405.27554	0.1
405.32025	0.1
407.28784	0.4
407.33438	0.4
409.31558	0.8
410.31644	0.1
411.32813	0.1
413.30466	0.1
415.32312	0.6
421.31686	0.1
423.32813	3.2
424.33237	0.2
425.29938	1.1
425.35068	0.3
427.32663	1.9
428.33112	0.1
437.30725	0.3
439.32614	0.4
441.34302	2.3
442.34167	0.2
443.31277	10.1
444.31659	0.6
453.30121	0.2
457.33249	1.5
458.33615	0.1
467.31696	0.7
468.32352	0.2
469.33313	1.5
473.32724	0.3
475.34558	0.1
485.32806	3.9
486.33078	1.4
487.34351	100.0
488.34766	5.6
489.32281	0.4
499.30823	0.1
501.32159	0.6
503.33667	0.7
611.94635	0.1
1077.36414	0.1
1135.72986	1.7
1136.73999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.7443
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95890	0.1
83.05030	0.3
83.26914	0.1
83.96365	0.1
85.06565	0.1
97.06577	0.2
99.04552	0.2
102.15861	0.1
109.06588	0.4
125.02477	0.2
126.15360	0.1
133.02893	0.1
135.08138	0.2
137.02457	0.1
137.09676	0.1
142.98969	0.1
169.01466	0.2
189.12756	0.1
205.15994	1.8
275.02017	0.1
300.99924	0.4
321.22165	0.5
323.23694	0.1
332.98969	0.1
335.23843	0.2
337.25275	0.5
339.27017	0.2
349.25372	0.3
351.26889	3.1
352.27362	0.2
355.22452	0.1
355.26392	2.0
356.26874	0.2
359.25928	0.2
363.26898	0.2
367.26285	0.7
368.27017	0.1
369.27969	3.6
370.28271	0.5
371.25958	0.2
377.28683	0.2
379.29840	0.7
385.27454	0.2
387.25107	0.3
389.27029	1.1
391.26343	0.3
392.26535	0.1
393.27335	0.2
393.31964	0.2
399.25186	0.9
401.26996	2.9
402.27219	0.3
405.31976	0.2
407.29462	0.3
409.26563	0.1
409.31396	0.8
410.31604	0.1
411.32498	0.5
413.26917	1.8
414.27353	0.2
419.29532	0.2
421.31039	0.7
422.31317	0.3
423.32858	2.8
424.32993	0.4
425.30682	0.3
427.32205	0.2
429.33871	0.2
433.26181	0.2
437.30603	0.9
438.30963	0.5
439.32150	3.9
440.32480	2.9
440.38181	0.2
441.33676	8.1
442.34164	0.7
443.31601	1.4
455.31876	0.9
456.31912	0.3
457.33121	1.3
458.33282	0.6
459.34796	1.8
460.34872	0.2
467.31369	0.2
471.35327	1.4
472.35849	0.1
473.32724	1.3
474.33096	0.1
483.31192	0.9
484.31409	0.7
485.32730	6.1
486.33630	0.5
487.34433	0.2
489.36182	1.4
490.36050	0.3
491.33868	0.9
501.32254	10.8
502.32587	10.3
503.33734	100.0
504.34143	9.4
505.34906	1.1
516.30493	0.1
517.31653	0.4
617.36780	0.4
619.38678	0.3
1137.46960	0.2
1137.73950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.7296
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95894	0.2
83.05014	0.4
85.02953	0.1
85.15610	0.2
97.06583	0.3
99.04491	0.3
109.06616	0.2
125.02448	0.3
130.08725	0.2
136.15694	0.2
137.02521	0.2
149.28915	0.1
153.09352	0.2
161.02498	0.2
169.01382	0.2
185.91591	0.2
201.12804	0.2
205.15924	0.6
205.38573	0.2
215.14403	0.9
229.01477	0.2
229.16011	0.2
255.17383	0.2
269.19412	0.2
275.02017	0.2
300.99948	0.5
323.23868	0.2
337.25363	0.2
349.25052	0.1
351.27048	0.6
355.26358	0.5
363.26791	0.2
365.24567	0.2
367.26459	0.8
369.28119	0.8
371.26184	0.3
379.30362	0.2
385.27493	0.8
387.25006	0.4
387.29175	0.5
389.27209	0.6
391.26321	0.5
391.30603	0.3
393.31989	0.2
395.29776	0.2
399.25177	0.3
400.04144	0.2
401.27283	0.7
402.28107	0.2
403.30014	0.3
405.28036	0.6
407.25278	0.2
407.29724	0.5
409.26938	0.4
409.31223	0.6
413.26865	0.3
419.29550	0.6
421.31241	3.6
422.31564	0.3
423.29062	0.6
423.33337	0.4
424.29590	0.2
425.30682	0.3
429.33987	0.2
431.27661	0.2
435.28751	0.2
437.30536	5.8
438.30945	0.5
439.32141	26.5
440.32495	2.3
441.34070	2.0
442.33710	0.2
443.31561	0.5
453.30023	0.8
454.27332	0.3
455.31619	3.4
456.32150	0.4
457.33255	5.7
458.33643	0.6
459.34915	0.3
469.33453	0.3
471.30811	0.9
471.35172	0.9
473.32611	0.7
483.31152	6.7
484.31549	0.5
485.32834	1.4
487.34564	0.3
489.36716	1.4
490.36179	0.2
491.34073	0.3
499.30811	0.4
500.31332	0.3
501.32211	100.0
502.32584	9.0
503.33743	19.7
504.34183	1.6
515.30200	0.4
1135.73462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.7309
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05015	0.1
98.20616	0.2
123.08150	0.1
130.85065	0.1
137.02531	0.1
154.78072	0.1
169.01439	0.1
191.14400	0.2
191.76668	0.1
275.02139	0.1
300.99844	0.3
324.15073	0.1
325.19672	0.2
353.24792	0.2
357.25940	0.3
359.27414	0.2
363.27008	0.4
367.26395	0.2
373.25317	0.2
377.28482	0.5
379.30038	0.5
380.30243	0.1
385.28690	0.2
387.26825	0.2
389.28531	0.4
391.25818	0.2
391.30099	0.5
393.31610	0.6
401.28506	1.1
403.29755	0.5
406.28036	0.1
407.29489	1.6
409.31271	2.7
410.31387	0.4
411.32745	0.3
417.28036	0.4
419.29376	1.1
421.31137	3.7
422.31635	0.4
423.28372	0.2
423.33148	0.3
425.30600	1.0
435.28998	0.4
437.30466	0.4
439.32156	5.3
440.32455	0.7
441.33737	7.5
442.33963	0.8
453.30026	1.5
454.30603	0.2
455.31641	0.8
457.33270	6.0
458.33383	0.6
459.34528	0.4
459.94971	0.1
469.33698	1.0
471.31006	0.5
472.31668	0.2
473.32684	2.9
474.32904	0.3
475.34540	0.2
485.32724	4.1
486.33008	0.4
487.34271	3.4
488.34735	0.6
489.32837	0.2
501.32434	2.9
502.32684	0.5
503.33752	100.0
504.34103	10.5
505.34595	2.6
517.31769	0.5
599.35883	0.2
617.36920	1.5
687.71997	0.2
1067.67932	0.1
1135.50098	0.2
1135.73645	2.0
1136.71741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.7145
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95931	0.2
83.01421	1.0
83.05020	1.2
83.97603	0.2
85.02953	3.3
85.06607	1.3
87.00904	0.3
87.04538	0.3
89.02451	3.7
95.01437	0.7
97.06629	0.7
99.00914	1.0
99.08202	0.3
101.02444	5.3
101.03101	0.3
111.00934	0.5
113.02457	3.4
119.03500	1.8
123.08217	0.3
125.02491	0.6
129.01913	0.5
137.09761	0.5
143.03511	0.2
159.02963	0.3
161.02460	0.3
161.04630	0.6
169.01477	0.5
170.26523	0.2
179.05634	0.5
183.12131	0.2
187.14955	0.3
189.12906	0.3
205.15971	4.2
211.98647	0.2
301.00006	0.6
305.21243	0.2
307.20767	0.5
321.22385	0.8
323.23889	0.9
325.25452	1.0
337.25443	1.0
338.25449	0.4
339.23224	0.5
339.26862	0.3
341.24918	0.3
343.26514	0.7
355.26407	0.6
369.28232	0.3
371.29370	0.4
375.25485	0.3
377.24664	0.3
379.30090	0.3
381.31567	0.4
387.25449	0.4
393.28256	1.1
394.28391	0.3
395.29547	1.9
396.29971	0.3
405.31766	0.9
407.33310	0.8
409.31369	1.8
410.31573	0.5
411.32870	3.3
412.32803	0.3
421.31598	0.5
423.32831	1.5
425.34305	21.3
426.34698	1.2
427.32278	1.0
437.30923	0.4
439.32065	2.3
440.32492	1.9
441.33737	13.9
442.34039	3.4
443.35291	53.6
444.35645	3.0
455.31598	0.7
456.51755	0.2
457.33389	2.2
459.34763	0.7
460.35284	0.9
461.36288	1.0
467.30096	2.6
468.29922	0.5
469.33252	0.4
473.32846	0.5
474.33148	0.3
475.34250	10.4
476.34607	0.7
483.31247	0.3
485.32693	3.6
486.33115	2.1
487.34280	27.6
488.34747	2.2
489.32813	0.3
501.32266	0.6
503.33688	2.5
504.34229	3.1
505.35379	63.2
506.35861	4.1
519.33221	0.8
629.35413	100.0
630.35797	8.7
630.52106	0.3
631.36011	2.2
969.68353	0.3
1135.45093	0.4
1135.71362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	1.6
81.03463	3.4
83.01376	8.7
85.02953	1.4
87.00877	1.4
89.02423	2.5
93.03419	1.4
95.01379	1.6
95.05029	1.2
97.02943	3.0
98.20659	2.3
99.04519	1.2
101.02435	3.5
107.05014	2.2
109.02940	4.5
120.02204	1.4
121.02950	4.2
123.04543	2.7
125.02451	37.0
131.04985	1.1
135.04503	3.5
137.02443	29.3
139.03964	1.4
141.06926	1.2
146.03751	14.8
147.04526	1.6
149.02466	2.3
150.03215	1.4
151.04031	1.7
152.99614	1.1
159.04497	5.9
160.05298	2.2
161.02443	1.6
161.06029	1.9
163.00439	1.4
164.01147	10.2
165.01920	19.2
167.03490	13.3
172.05319	4.5
173.05972	2.8
174.03203	7.6
174.06758	1.8
175.04016	2.6
176.04828	1.0
177.01915	4.4
179.03519	7.2
185.06154	1.3
186.06905	1.4
187.04010	5.9
188.04785	6.2
200.04713	3.8
201.05585	3.4
204.04213	3.0
211.04004	1.4
212.04807	6.1
224.04709	2.0
225.05533	3.9
226.06227	1.2
235.08348	1.1
237.05565	1.6
239.07100	1.4
251.07124	2.3
252.07910	1.8
255.13911	1.5
255.23286	13.3
265.08746	1.5
268.07352	1.7
269.11807	2.7
269.15695	1.0
270.09250	1.0
270.12573	1.2
271.13403	22.1
272.13837	1.1
278.05807	1.2
283.13245	2.8
285.14966	3.4
287.12808	1.5
289.14337	6.5
294.08945	4.1
295.13358	2.8
297.14978	2.2
299.12796	7.9
309.14954	1.2
313.14404	9.6
317.14056	3.0
325.14548	9.9
335.16599	2.9
337.14398	8.1
343.15549	4.6
351.15912	2.4
353.17554	1.7
355.15604	2.1
360.89612	1.2
369.17020	1.3
377.17499	3.2
379.15619	1.5
391.19232	1.8
393.16992	2.1
395.18564	3.7
401.17346	1.1
419.18716	10.8
437.19540	6.6
445.16397	1.6
445.22681	1.2
463.17731	2.3
471.34943	2.9
481.18640	1.3
534.09076	1.4
638.39801	1.1
835.34656	1.6
967.52618	19.2
968.52667	2.9
979.52606	8.7
991.52899	10.2
997.53857	13.4
1009.54688	1.3
1073.56763	14.6
1091.56384	3.5
1099.55249	5.4
1117.55823	100.0
1118.56348	14.3
1135.56873	79.5
1136.56482	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	1135.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	1.6
81.03463	3.4
83.01376	8.7
85.02953	1.4
87.00877	1.4
89.02423	2.5
93.03419	1.4
95.01379	1.6
95.05029	1.2
97.02943	3.0
98.20659	2.3
99.04519	1.2
101.02435	3.5
107.05014	2.2
109.02940	4.5
120.02204	1.4
121.02950	4.2
123.04543	2.7
125.02451	37.0
131.04985	1.1
135.04503	3.5
137.02443	29.3
139.03964	1.4
141.06926	1.2
146.03751	14.8
147.04526	1.6
149.02466	2.3
150.03215	1.4
151.04031	1.7
152.99614	1.1
159.04497	5.9
160.05298	2.2
161.02443	1.6
161.06029	1.9
163.00439	1.4
164.01147	10.2
165.01920	19.2
167.03490	13.3
172.05319	4.5
173.05972	2.8
174.03203	7.6
174.06758	1.8
175.04016	2.6
176.04828	1.0
177.01915	4.4
179.03519	7.2
185.06154	1.3
186.06905	1.4
187.04010	5.9
188.04785	6.2
200.04713	3.8
201.05585	3.4
204.04213	3.0
211.04004	1.4
212.04807	6.1
224.04709	2.0
225.05533	3.9
226.06227	1.2
235.08348	1.1
237.05565	1.6
239.07100	1.4
251.07124	2.3
252.07910	1.8
255.13911	1.5
255.23286	13.3
265.08746	1.5
268.07352	1.7
269.11807	2.7
269.15695	1.0
270.09250	1.0
270.12573	1.2
271.13403	22.1
272.13837	1.1
278.05807	1.2
283.13245	2.8
285.14966	3.4
287.12808	1.5
289.14337	6.5
294.08945	4.1
295.13358	2.8
297.14978	2.2
299.12796	7.9
309.14954	1.2
313.14404	9.6
317.14056	3.0
325.14548	9.9
335.16599	2.9
337.14398	8.1
343.15549	4.6
351.15912	2.4
353.17554	1.7
355.15604	2.1
360.89612	1.2
369.17020	1.3
377.17499	3.2
379.15619	1.5
391.19232	1.8
393.16992	2.1
395.18564	3.7
401.17346	1.1
419.18716	10.8
437.19540	6.6
445.16397	1.6
445.22681	1.2
463.17731	2.3
471.34943	2.9
481.18640	1.3
534.09076	1.4
638.39801	1.1
835.34656	1.6
967.52618	19.2
968.52667	2.9
979.52606	8.7
991.52899	10.2
997.53857	13.4
1009.54688	1.3
1073.56763	14.6
1091.56384	3.5
1099.55249	5.4
1117.55823	100.0
1118.56348	14.3
1135.56873	79.5
1136.56482	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	113.0609
Annotation	2-Hydroxycyclohexan-1-one
Peak:m/z	Relative Intensity
50.16615	2.8
57.03441	12.3
57.07054	3.0
68.99570	100.0
69.03452	5.1
69.44577	18.3
71.01357	3.1
85.02946	25.9
98.19901	5.9
109.47881	2.8
110.38547	2.8
113.02443	27.3
113.06088	78.5
114.05601	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	1133.205
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01390	1.2
85.02945	0.3
87.00897	0.1
91.01891	0.3
93.03455	1.6
95.01389	0.5
98.73147	0.1
101.02405	0.2
101.22995	0.1
107.01391	4.0
108.02233	0.1
109.02960	0.6
109.70730	0.1
111.00857	0.3
113.02457	0.2
117.03452	0.4
119.01389	0.1
123.00874	1.2
123.04488	0.2
124.01705	0.2
125.02444	2.0
131.05029	0.2
132.02187	0.1
135.00897	0.8
136.98772	0.3
137.02432	0.2
139.00357	0.4
140.01129	0.4
141.07124	0.2
143.05054	0.9
145.02914	0.5
147.05496	0.1
151.00362	8.4
152.00621	0.2
153.01939	0.3
154.04256	0.3
155.05025	0.3
156.05763	0.2
157.06564	0.5
159.04515	0.9
161.02495	0.3
161.06081	0.1
163.00372	1.9
164.01099	0.5
165.01938	0.4
167.03577	0.2
167.04996	0.4
168.00554	0.5
168.05804	0.1
169.01424	3.7
169.06615	0.6
171.04477	0.7
173.02400	0.2
173.06058	0.2
182.03603	0.2
183.04506	0.4
184.05232	0.3
185.06067	2.5
187.03993	2.3
189.05513	0.8
191.03377	0.1
192.00787	0.2
195.04491	0.6
196.05261	0.2
197.06111	0.6
199.04037	0.7
201.05627	0.6
211.02220	0.2
211.03986	1.4
212.04597	0.2
213.05536	2.1
214.02742	0.2
215.03455	0.3
217.04965	0.2
217.07646	0.1
223.03973	0.2
226.02725	0.1
227.03488	3.0
228.04031	0.2
229.05043	9.2
230.05382	0.2
239.03488	1.3
240.04237	0.6
241.05060	1.4
243.03004	0.2
255.00218	0.2
255.02980	4.3
256.03729	1.0
257.04538	7.0
258.04865	0.2
267.03082	0.7
283.02463	0.1
284.03271	7.0
285.04025	100.0
286.01163	0.2
286.04346	3.0
300.02698	0.4
301.00134	0.1
301.03430	0.4
313.05630	14.6
314.06006	0.5
447.09277	0.8
489.10355	6.4
490.10623	0.4
533.18726	0.1
599.10413	19.3
600.10645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95904	62.4
80.96507	0.6
96.96951	4.6
101.34678	0.5
150.98013	0.8
152.99586	65.2
171.00645	16.8
182.37856	0.5
227.03304	4.1
230.16258	0.6
245.04303	79.4
246.04688	1.1
253.21716	37.4
254.22052	1.1
281.24878	1.5
282.25229	0.9
301.00003	0.5
311.16507	0.5
441.16406	0.5
478.29498	1.3
479.29831	0.9
481.25705	100.0
482.26001	4.1
675.38232	0.8
795.23224	1.0
895.44574	0.9
1078.75562	0.6
1123.49084	23.9
1124.49097	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	1125.7297
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	0.1
83.01387	0.4
85.02953	0.8
87.00887	0.8
89.02444	2.8
95.01369	0.2
96.96000	0.4
97.02954	0.7
99.00871	0.2
101.02438	2.8
113.02451	1.5
115.03976	0.1
115.66262	0.1
119.03506	0.8
121.03011	0.1
125.02451	1.5
131.03516	0.2
133.04993	0.1
137.02458	0.1
139.04015	0.2
143.03490	0.5
161.04564	0.7
179.04007	0.1
179.05568	0.9
205.15991	0.1
217.07153	0.2
219.05154	0.1
221.06618	0.3
235.08212	1.9
245.06644	0.1
253.09326	0.4
255.23276	8.5
256.23578	0.4
263.07730	0.2
265.14810	0.5
277.21570	0.1
287.07672	0.6
300.99933	0.2
305.08710	1.0
323.09784	0.3
372.61807	0.1
379.12354	0.2
393.31607	0.2
397.13480	27.9
398.13919	1.0
407.33240	1.6
408.33676	0.1
415.14548	7.8
416.14975	0.4
423.33047	0.2
425.34503	0.3
439.31967	0.1
447.34747	0.5
469.33481	0.2
470.33640	0.2
471.34769	100.0
472.35141	6.7
473.35416	0.3
491.33755	0.3
501.91803	0.1
612.70697	0.1
653.37512	8.4
654.37964	0.6
1100.65222	0.1
1125.50232	0.1
1125.73450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.7523
Annotation	Unknow
Peak:m/z	Relative Intensity
82.68850	0.2
83.05094	1.6
85.06098	0.4
85.06579	2.6
97.06586	1.1
99.08247	0.3
109.06615	0.4
109.60915	0.2
123.08225	0.2
137.09836	0.7
146.25008	0.2
149.09839	0.2
203.14398	0.2
205.15959	6.1
207.14020	0.3
209.15527	0.3
275.02145	0.2
283.66797	0.2
291.17719	0.3
295.20670	0.4
297.22385	0.2
301.00058	0.4
305.21249	0.4
307.20901	0.4
309.22189	0.2
311.24023	0.5
319.24231	0.3
321.22275	1.2
323.20392	0.3
323.23877	0.9
325.25269	3.1
337.25497	1.0
339.23370	0.6
339.27020	0.3
341.24875	0.7
343.26401	2.1
351.27051	0.4
355.26456	0.7
357.24335	0.3
365.28796	0.3
367.30103	0.3
369.27960	0.9
370.28363	0.5
371.29517	0.6
375.26086	0.4
377.24808	0.3
379.30392	0.5
381.31586	1.2
387.25479	0.8
393.27930	2.5
395.29532	2.7
397.31143	0.6
399.25241	0.4
399.32932	0.5
403.29977	0.3
405.31570	1.2
407.29004	0.4
407.33398	0.9
409.26505	0.3
409.31204	2.6
411.32941	3.3
414.27325	0.3
415.32526	0.4
421.31128	0.9
423.33096	1.9
425.34262	32.6
426.29312	0.3
426.34512	1.6
427.32532	1.4
439.32190	5.5
440.32300	0.5
441.33780	22.1
442.34030	1.7
443.35294	63.6
444.35663	3.9
455.31952	1.6
457.33228	13.7
458.33560	0.7
461.36411	0.7
465.29813	0.3
469.33691	0.3
471.30606	0.8
471.35052	0.8
473.32874	1.6
475.34265	100.0
476.34586	6.8
477.34634	0.6
483.31036	2.3
485.32751	11.1
486.33081	1.9
487.34363	38.5
488.34729	3.1
489.33246	0.3
501.32217	7.4
502.32693	0.5
517.31775	0.3
519.33289	6.2
520.33313	0.6
619.38678	0.4
1141.72302	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.7132
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03955	0.2
103.85893	0.1
116.02698	0.2
116.92872	0.3
117.03468	19.5
118.03788	0.2
119.05026	9.9
120.05365	0.2
121.02957	0.9
123.04533	0.3
125.02455	0.1
133.02922	0.2
145.02954	56.2
146.03304	1.1
147.04495	0.2
162.03258	0.5
163.04079	0.7
169.01424	0.3
201.21422	0.1
230.46074	0.2
275.01987	0.2
299.99252	0.2
300.99908	0.5
409.30945	0.3
421.30859	0.2
453.30188	0.2
467.31604	0.6
469.33109	1.3
471.35046	0.2
483.30777	0.3
484.31512	0.2
485.32758	3.6
486.33057	0.4
487.34393	0.4
513.32159	1.4
571.38037	0.5
587.37415	0.5
589.38922	2.2
590.39099	0.2
615.36761	0.3
625.03503	0.2
633.37927	100.0
634.38312	9.1
635.38647	0.4
904.27020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.5651
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95914	0.4
79.25433	0.2
80.96558	0.4
83.05006	0.3
85.06581	0.4
89.33891	0.3
96.96040	0.3
97.06571	2.1
113.13561	0.2
137.09718	0.6
145.02885	0.2
149.77840	0.3
172.73863	0.3
311.16879	0.3
361.20969	0.3
363.27203	0.3
373.25143	0.5
375.26666	0.4
377.28787	0.3
389.28519	0.7
391.29953	1.1
403.29968	0.7
405.31592	1.8
407.28543	0.4
407.33282	5.2
409.31067	3.5
423.32947	0.4
425.34299	1.0
433.61765	0.3
437.30658	0.5
438.13348	0.5
439.32123	0.6
451.32156	14.5
452.32617	0.6
469.33188	25.5
470.33334	1.2
481.15207	6.9
482.15298	1.1
495.16858	2.9
496.17572	0.3
514.14844	0.4
525.14282	0.3
539.15314	0.3
540.16431	2.6
554.18164	0.7
555.18726	3.6
572.15491	7.3
573.15668	0.6
586.16846	1.5
609.20197	0.4
627.20361	0.4
641.22455	6.6
642.22986	0.3
829.78619	0.3
1111.56433	100.0
1112.56628	17.3
1124.52979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01879	29.7
63.47673	2.5
65.17683	2.3
67.01889	62.2
69.27129	12.8
69.27548	10.6
71.01375	5.8
74.78596	2.6
78.95904	75.1
82.23856	2.4
83.01385	82.9
83.05024	3.4
84.01756	3.6
87.75391	2.6
91.47247	2.3
108.40696	2.9
111.00883	100.0
111.04521	6.6
112.01230	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	111.0088
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
50.50819	2.0
51.93615	1.7
53.17318	1.9
55.01633	2.6
55.01880	39.2
59.42200	1.7
67.01891	47.8
70.79968	2.4
71.01395	11.0
78.95903	50.8
79.95737	2.1
83.01388	100.0
84.01691	3.8
92.21585	2.3
98.20592	1.8
110.97598	4.9
111.00886	73.9
111.04535	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	1109.7503
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05042	0.4
85.02956	0.3
85.06608	0.1
86.00110	0.2
89.02476	0.1
97.06609	0.3
101.02454	0.6
109.06617	0.2
123.08153	0.1
131.03487	0.4
135.08157	0.2
137.09741	0.2
157.51321	0.1
181.37827	0.1
187.14992	0.1
205.15970	2.0
205.17940	0.1
246.84866	0.1
275.02164	0.1
299.99313	0.1
300.99911	0.1
305.21347	0.2
306.19931	0.1
307.20508	0.1
319.24469	0.2
321.22321	0.6
321.25674	0.1
323.23755	0.4
325.21753	0.2
335.23819	0.2
337.25330	1.0
338.25867	0.2
339.23254	0.1
339.26932	0.4
349.25412	0.2
351.23032	0.1
351.26953	1.1
353.25064	0.1
355.26422	1.9
355.30597	0.2
356.26974	0.1
357.24234	0.1
367.26343	0.5
369.27939	2.7
370.28418	0.2
371.25967	0.1
379.30078	0.6
387.25482	0.2
387.30411	0.2
389.27087	0.8
391.26434	0.2
393.27914	0.5
395.29364	0.1
397.31161	0.4
399.25189	0.6
401.26865	0.9
403.30118	0.1
405.27798	0.2
407.29663	1.1
409.31339	1.1
413.26965	1.1
413.32300	0.1
413.34387	0.1
419.29660	0.3
421.31445	0.9
423.32697	7.4
424.33093	0.6
425.30688	0.3
429.30304	0.1
433.26166	0.2
437.30524	0.9
439.32205	4.1
440.32440	0.4
441.33710	25.6
442.33969	1.6
453.30060	0.1
455.31665	2.9
456.31989	0.2
459.34772	0.2
467.31680	0.6
473.32706	9.7
474.33066	0.8
483.31140	0.6
485.32715	12.9
486.33121	0.9
491.33658	0.1
501.32562	0.3
502.32242	0.4
503.33777	40.8
504.34137	2.9
504.40662	0.1
517.32056	0.4
545.30017	0.2
545.38470	4.0
546.38855	0.3
577.36902	0.1
587.39160	0.1
589.37567	0.2
605.40552	100.0
606.40918	9.2
607.41174	0.4
779.36755	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	1105.7345
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95914	0.5
117.03464	14.9
119.05023	7.8
121.02959	1.0
145.02946	44.1
146.03302	0.7
162.03328	0.4
163.04012	2.6
204.19685	0.2
227.03438	0.3
277.21738	0.3
283.13223	0.4
299.98843	0.3
300.99893	0.5
327.12296	0.4
329.14084	0.3
406.32117	0.3
409.31122	0.5
469.33160	1.1
471.34903	8.4
472.35187	0.8
513.32068	1.0
571.38013	0.6
573.36261	0.3
589.38855	2.2
615.37012	1.2
616.37195	0.3
633.37897	100.0
634.38208	8.4
635.38715	0.4
869.79877	0.3
1061.53809	0.5
1105.56006	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	1099.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01896	0.8
83.01377	0.4
85.02964	0.5
93.03442	0.9
95.01373	1.4
97.02968	0.3
101.02437	0.8
107.01383	3.6
108.02205	0.3
109.02962	1.7
111.00891	1.0
113.02455	1.3
117.03455	2.7
119.05026	13.1
120.05369	0.4
121.02947	1.2
123.00885	8.0
123.04488	0.6
124.01668	0.4
125.02448	18.5
126.02829	0.3
131.05087	0.3
132.05826	1.0
133.02966	0.7
133.06590	4.8
134.03673	0.3
135.04526	1.3
136.01663	0.6
136.98729	0.3
137.02440	0.5
139.00365	2.2
140.01138	0.9
141.01900	0.6
145.02953	13.3
146.03398	0.5
146.22224	0.3
147.04523	0.6
148.01703	0.4
149.06042	0.4
150.99191	0.6
151.00363	7.1
151.03998	1.1
152.00948	0.3
153.01933	0.9
153.05580	0.4
159.04489	0.6
161.02472	1.3
161.06070	9.6
162.03194	0.3
163.00352	0.7
163.04010	16.0
164.04381	0.6
165.01917	1.1
166.02708	0.8
167.03561	0.3
168.00655	1.4
169.01414	27.4
177.05562	3.6
178.99969	0.6
179.03488	1.2
179.07080	0.6
181.01414	0.5
181.05066	4.3
187.03958	0.8
193.01373	0.6
193.05013	1.3
195.70241	0.3
199.03905	0.4
205.05046	9.2
211.02457	4.3
211.04167	0.4
211.06126	1.2
226.02614	0.3
227.03432	1.0
235.06119	3.9
243.02946	2.1
253.03485	0.9
254.02168	0.3
255.02950	7.0
265.04324	0.6
265.07147	11.3
266.07547	0.4
269.08038	0.4
271.02444	13.1
272.02881	1.1
283.02582	0.5
284.03174	0.4
285.03973	0.8
299.02060	0.5
300.02740	23.6
301.00165	0.4
301.03458	7.4
302.03723	0.3
307.08243	0.4
313.05624	2.2
315.05063	0.5
323.07727	0.4
331.06708	1.3
343.11850	0.4
373.12848	2.3
387.49597	0.3
417.08231	1.0
463.08957	0.3
477.10342	100.0
478.10663	5.3
505.09863	27.2
506.09985	1.7
533.24860	0.3
593.14569	1.3
621.23969	1.0
630.94006	0.3
1087.29016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.7393
Annotation	Unknow
Peak:m/z	Relative Intensity
82.34953	0.1
82.35513	0.2
83.01427	0.2
83.05071	0.1
85.02952	0.6
86.00116	0.3
89.02488	0.1
97.78088	0.1
101.02461	1.3
131.03502	1.4
135.18405	0.1
205.15997	0.2
209.34497	0.2
371.29669	0.3
377.28632	0.2
391.30145	0.3
393.31720	0.3
405.31641	0.5
407.33142	2.2
409.31229	0.2
423.32684	0.9
425.34341	3.1
426.34915	0.2
427.32181	1.0
437.30612	0.3
439.32233	0.6
441.33661	0.5
443.35034	0.8
453.33694	0.6
457.33200	0.3
467.31793	0.4
469.33188	12.3
470.33554	0.7
474.33047	0.2
487.34268	98.5
488.34598	6.1
513.32031	0.4
543.37537	0.7
573.38123	0.3
585.37927	10.7
586.38269	0.6
603.39001	100.0
604.39313	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	108.0212
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
54.63305	0.8
65.03924	0.7
67.03019	1.8
76.94341	0.7
81.03461	3.0
91.01886	2.9
108.02179	35.7
108.04556	7.1
109.02952	100.0
109.06602	0.9
128.99393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.09
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02946	0.2
89.03977	0.1
95.01412	0.9
107.01385	0.8
109.02967	0.2
111.00903	0.4
117.48420	0.2
121.02943	0.2
123.00872	1.3
124.58218	0.2
125.02451	3.3
135.66167	0.2
139.00375	0.8
141.01978	0.2
145.02971	0.5
147.04579	0.2
149.02399	0.2
151.00420	0.4
151.01854	0.1
161.02449	0.4
163.00420	0.4
163.03915	0.2
166.99910	0.3
167.05074	0.2
168.00624	0.3
169.01421	3.8
171.00964	0.2
173.02443	0.5
175.03999	0.4
177.01909	0.2
178.99760	0.2
179.03441	0.3
181.01436	0.2
181.05093	0.3
183.04518	0.3
185.02338	0.4
187.03987	0.3
189.01942	0.3
191.03487	0.3
193.01350	0.3
193.02957	0.2
193.05013	0.2
195.04541	0.4
197.02441	0.2
198.03319	0.2
199.00285	0.2
201.01917	0.8
203.03473	0.3
207.04590	0.3
209.02492	0.3
211.04012	0.6
211.05888	0.2
213.01906	0.4
214.99904	0.4
215.03459	0.3
216.00790	0.2
217.01425	0.6
221.02577	0.3
223.04030	0.7
223.06001	0.2
225.01991	0.4
226.02718	0.2
226.99846	0.3
227.03311	0.4
228.00569	0.2
229.01344	1.0
231.02975	0.4
233.04550	0.3
235.04131	0.3
237.01872	1.0
239.03488	0.9
241.01413	0.5
242.99365	0.6
243.02939	0.3
245.00859	0.9
247.02563	0.5
249.01918	0.6
250.02654	0.4
251.03514	0.9
253.01372	0.4
253.05139	0.2
254.99420	0.3
255.03102	0.9
256.03424	0.2
257.00928	0.7
259.02493	0.5
261.00436	0.3
263.03503	0.4
265.01453	1.0
266.02115	0.5
267.03049	1.2
269.00937	0.6
269.04529	0.3
270.98831	1.2
271.02454	0.6
273.00549	0.8
275.01981	0.6
277.01437	0.9
279.02798	0.8
280.03610	0.2
281.00970	0.3
282.01605	0.3
282.98981	0.2
283.02560	0.5
283.99445	0.3
285.00397	1.4
285.03726	0.3
293.00882	2.2
294.01587	0.4
295.02246	0.9
297.00378	0.5
297.03976	0.3
298.98273	0.7
299.01413	0.2
299.99142	0.6
300.02783	1.4
300.99887	4.1
301.03357	1.2
302.00403	0.4
302.03745	0.4
305.00922	1.3
306.01501	0.2
307.02640	0.6
309.00546	0.4
310.01028	0.3
310.98611	0.2
311.01743	0.7
313.05820	1.2
321.00397	1.9
322.01035	0.9
323.01965	2.1
324.02573	0.2
325.00040	0.3
325.03375	0.3
326.97842	1.3
333.00378	1.0
335.01892	0.9
336.99933	0.6
338.00699	0.5
339.01425	2.0
341.02936	0.4
348.99847	3.2
350.00443	0.8
351.01471	2.8
352.01874	0.2
352.99225	0.3
353.03000	0.7
360.99878	0.6
364.99356	0.4
366.00043	0.7
367.00897	1.8
369.02426	0.3
373.12860	0.2
376.99323	6.0
377.99973	0.5
379.00977	1.6
381.02597	0.6
388.99390	0.4
393.99802	0.3
395.00467	1.4
399.03293	0.9
403.13947	0.3
404.14676	0.3
404.98877	4.0
405.99246	0.4
407.00278	0.8
421.07587	0.3
422.99918	0.5
424.00558	0.4
425.01477	5.8
426.01990	0.3
432.98480	0.8
433.07761	0.8
433.99237	0.5
434.08096	0.6
434.99289	0.2
435.08395	0.2
441.01080	0.3
449.98026	0.2
450.99402	100.0
451.99753	5.2
463.08701	0.3
465.06671	3.0
483.07672	0.2
505.09778	0.4
635.08850	1.0
749.06683	0.6
917.06647	3.4
918.07697	0.5
935.07428	1.1
936.08148	0.3
1087.08875	16.9
1088.09058	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	1070.6769
Annotation	Unknow
Peak:m/z	Relative Intensity
78.48056	7.1
96.99683	7.9
107.01343	10.2
123.00873	7.7
125.02398	31.5
135.02902	10.1
137.43784	8.1
142.87875	8.2
169.01379	41.7
180.08369	6.9
194.15395	7.3
195.12238	7.7
201.01947	7.8
275.01813	8.8
299.99280	8.5
300.99860	33.1
455.31812	10.2
564.85406	9.6
566.33240	100.0
567.33325	17.9
826.77808	28.1
903.66797	8.8
987.26721	8.7
1070.65198	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	1079.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
76.99607	0.2
80.39314	0.2
83.01387	2.9
91.01942	0.2
93.03450	1.4
95.01371	0.3
107.01391	9.3
108.02235	0.3
109.02946	2.0
119.01366	0.4
121.02957	8.0
123.00901	0.4
125.02429	0.9
137.02415	0.3
139.04036	0.5
148.01733	0.3
149.02408	1.0
151.00368	38.3
152.00708	0.8
159.04578	0.4
161.02463	0.7
163.00377	1.9
163.03975	0.5
164.01137	0.6
169.01427	1.7
173.06068	0.4
175.03992	0.3
178.99861	17.6
180.00305	0.4
183.04526	0.4
185.06050	0.4
187.04048	0.6
190.99892	0.3
192.00639	0.3
193.01389	0.9
201.05565	0.8
203.03528	0.3
205.05052	0.3
211.04022	0.8
212.04817	0.2
214.02658	0.2
215.03505	0.3
226.90869	0.2
227.03482	0.9
229.05026	1.4
239.03296	0.2
243.03053	0.7
245.04427	1.2
255.02879	1.5
256.03641	0.4
257.04578	1.0
271.02509	1.1
273.04022	2.5
283.02496	0.4
299.02118	0.3
300.02661	2.1
301.03516	100.0
302.03848	4.3
303.04114	0.3
313.05615	1.6
350.62738	0.2
463.08850	1.5
615.09869	42.0
616.10187	3.3
776.53918	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01898	0.4
83.01402	0.5
84.40124	0.2
85.02937	0.4
89.02422	0.3
93.03453	0.3
95.01389	0.6
97.02964	0.6
101.02441	0.8
104.96564	0.2
107.01385	3.5
111.00872	0.6
113.02457	0.7
119.28053	0.2
123.00896	4.2
124.01663	0.4
125.02446	24.9
126.02821	0.3
127.00399	0.3
135.00877	0.2
136.98749	0.3
137.02457	0.4
139.00374	1.3
140.01147	0.6
141.01952	0.4
149.02443	0.2
151.00362	5.6
153.01964	0.3
159.04427	0.2
163.00421	0.4
165.01942	0.2
166.99805	0.2
168.00645	1.2
169.01421	41.4
170.01747	0.8
185.06056	0.4
187.04039	0.4
204.25282	0.2
211.02342	1.3
213.05568	0.3
223.02356	0.4
227.03491	4.3
229.05095	0.9
239.03546	0.3
241.03474	3.0
241.05644	0.2
253.03479	0.6
255.02977	9.5
256.03558	0.9
257.04614	1.1
271.02423	0.4
284.03262	14.4
285.04031	12.3
286.04416	0.3
300.02774	0.6
301.03415	0.2
313.05637	13.3
314.06042	0.5
327.05167	0.3
447.09390	1.8
463.08167	0.3
599.10406	100.0
600.10803	6.2
1007.82074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95876	82.0
100.69156	66.5
100.72829	60.9
110.46650	62.8
111.72137	64.5
116.92866	100.0
163.64064	60.5
277.21741	88.3
1038.45569	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.183
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	0.3
85.02942	0.5
93.03466	0.4
95.01385	0.5
97.02949	0.4
101.02467	0.3
103.80652	0.2
107.01384	4.4
109.02975	0.3
111.00894	0.4
113.02477	0.5
123.00896	1.8
123.04592	0.2
124.01680	0.3
125.02443	23.4
126.02823	0.4
136.98775	0.3
137.02415	0.4
139.00348	1.0
140.01152	0.6
141.01918	0.3
148.91992	0.2
151.00365	3.9
152.00754	0.3
153.01996	0.3
159.04474	0.4
163.00359	0.4
167.03456	0.5
168.00655	0.9
169.01413	35.9
170.01762	0.7
179.03438	0.3
185.06026	0.4
187.03957	0.5
193.01390	0.5
211.02437	0.9
211.04176	0.3
213.05504	0.4
223.02559	0.3
227.03484	5.6
228.04037	0.3
229.04951	1.7
230.65590	0.3
239.03491	0.3
240.04228	0.2
241.03349	1.9
253.03494	0.4
255.02977	11.7
256.03763	1.6
257.04498	1.2
271.04709	0.4
284.03241	16.4
285.04010	15.8
286.04346	0.4
300.02823	0.7
313.05655	10.8
327.04956	0.3
447.09390	2.2
455.12396	0.3
595.61304	0.3
599.10394	100.0
600.10706	7.7
1041.85083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.7492
Annotation	Unknow
Peak:m/z	Relative Intensity
73.51767	0.2
75.00912	0.2
78.98617	0.4
79.95734	1.2
80.96511	4.2
82.30710	0.2
85.03004	1.0
87.00895	0.4
88.87371	0.2
91.76241	0.3
93.03473	1.3
94.98132	0.7
97.02988	0.3
97.06559	0.3
101.02491	0.5
105.26547	0.3
111.24699	0.3
125.02439	1.2
130.51459	0.2
131.15077	0.3
137.02489	0.8
139.46498	0.2
146.03732	0.3
158.24716	0.2
159.04507	0.4
164.98723	0.7
165.01979	0.5
191.05594	3.8
207.99818	0.3
221.62227	0.2
225.00746	1.6
262.05655	0.2
277.21799	0.3
283.13403	0.3
289.07028	0.3
300.99832	0.7
309.14926	0.6
393.31351	0.5
409.31177	0.3
410.31921	0.5
423.32629	0.6
439.32187	0.5
440.32126	0.4
451.32147	2.0
452.32428	2.3
453.32816	1.6
469.33182	14.9
470.26581	0.4
470.33557	19.1
471.34717	100.0
472.35080	6.4
536.50519	0.3
587.39502	51.3
588.39832	16.1
588.49420	0.6
589.31299	0.5
589.40155	7.9
825.87585	0.3
849.44269	0.3
867.45300	2.3
868.46027	0.4
921.42853	0.7
978.48730	1.8
996.50256	1.5
1041.50952	0.5
1059.46753	6.4
1060.47351	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	1057.7348
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05055	0.1
97.06602	0.5
98.09158	0.1
125.02433	0.4
136.15434	0.1
137.02423	0.2
375.30621	0.2
391.29749	0.2
395.33191	0.4
405.31415	0.2
407.33206	1.2
408.33206	0.2
409.31091	2.0
410.31149	0.2
423.32617	0.2
425.34204	0.6
439.32220	2.0
439.37775	0.3
440.32501	0.2
451.32166	11.9
452.32825	0.7
469.33191	100.0
470.33545	6.7
470.40393	0.3
471.34546	0.2
511.11801	0.2
587.39514	55.2
588.39911	4.6
977.48431	0.8
995.50873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01399	0.4
88.19262	0.3
93.03455	1.1
98.20690	0.6
99.87144	0.4
107.01380	1.7
108.02189	1.9
109.02949	1.4
113.78735	0.3
132.02180	0.8
133.02901	0.4
135.00902	1.1
143.05025	0.7
151.00356	1.5
152.01152	2.1
153.01912	1.0
157.06531	0.5
159.04472	0.9
161.02411	0.9
163.00331	1.8
164.01134	0.4
169.06590	0.9
171.04463	0.6
176.01201	0.4
183.04536	0.8
183.65611	0.3
185.06076	1.1
187.04016	1.8
189.05553	1.0
190.02644	0.8
191.03497	0.6
195.04480	0.5
197.06042	0.5
199.03871	0.7
205.62965	0.3
211.03888	2.3
213.05566	1.5
215.73241	0.3
227.03502	19.8
228.03949	1.1
229.05051	7.6
239.03419	1.1
240.04160	0.4
241.05098	0.4
255.02980	46.2
256.03488	3.0
257.04544	4.1
267.02939	0.9
283.02496	0.8
284.03247	62.5
285.04019	69.9
286.04330	3.1
309.92093	0.4
315.07352	0.6
447.08801	0.5
475.24295	0.4
489.10364	100.0
490.10706	7.3
491.10962	0.6
520.15704	0.9
521.12872	5.8
522.13654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99272	0.6
73.02941	8.2
75.00877	0.6
77.24592	0.4
83.01382	2.8
85.02950	14.9
87.00877	1.3
89.02444	5.8
95.01375	2.9
97.02972	0.8
99.00883	4.4
101.02441	18.3
101.03108	0.9
113.02453	13.7
119.03516	1.0
125.02445	0.8
129.01898	0.6
137.74005	0.4
143.03511	1.6
159.02988	2.6
161.04550	13.1
203.05544	0.8
315.18112	28.9
316.18484	1.1
337.09293	0.4
357.19180	26.4
358.19452	0.9
359.17276	0.5
392.85373	0.4
401.18149	0.6
427.32217	1.6
443.35257	0.8
467.31805	1.6
469.33157	7.8
487.34277	100.0
488.34677	5.9
649.38983	0.5
982.77429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
76.54688	0.3
83.01382	1.1
93.03466	0.6
98.19851	0.6
107.01379	1.5
108.02185	1.5
109.02952	9.6
117.38445	0.4
119.01364	0.4
121.02947	1.9
123.04490	1.1
124.01579	0.6
124.67413	0.4
125.02425	0.4
134.03725	0.6
135.00851	0.7
136.01665	3.2
145.02934	0.5
146.03708	1.4
147.04672	0.4
148.01648	1.9
149.02422	1.1
149.14662	0.4
150.03172	0.9
151.00368	9.5
151.03996	5.7
153.05547	0.8
159.04471	0.4
160.63756	0.4
161.02408	0.8
161.06096	0.8
163.00407	2.2
163.04021	3.7
164.01167	2.2
164.04768	1.3
165.01912	2.0
165.05588	0.5
166.02711	5.0
167.03481	1.3
169.01465	0.5
173.06114	0.5
178.02728	1.3
178.99870	4.5
179.03481	0.9
179.07132	5.6
181.05055	26.7
183.04515	0.6
187.04012	0.5
192.00565	0.5
193.05058	10.3
193.06807	0.5
199.04088	0.6
201.05556	0.8
211.04044	1.2
211.06082	12.3
212.06563	0.4
215.03506	0.8
216.04280	0.4
226.02654	1.3
227.03537	2.5
228.04095	0.4
229.05035	0.9
239.03586	0.7
243.02985	8.3
244.03656	0.6
245.04456	2.0
254.02260	2.1
254.05855	1.0
255.02962	23.5
256.03397	1.2
269.08176	1.1
271.02463	51.4
272.02960	3.4
273.03952	1.0
283.02448	1.3
299.02054	1.1
300.02740	84.2
301.03476	43.5
302.03882	1.5
313.10699	1.4
328.88126	0.4
343.11859	2.6
373.12946	12.3
374.13132	0.8
433.07724	100.0
434.08063	5.2
481.79221	0.4
505.09958	1.0
506.10074	1.0
589.20343	0.4
593.15753	0.4
621.23615	1.0
795.94348	0.4
877.65625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
77.07897	0.3
107.01382	2.1
120.69382	0.3
121.02946	0.9
123.00871	1.0
125.02446	6.7
139.00359	0.6
151.00368	6.3
152.00842	0.3
163.00374	0.8
165.29308	0.3
169.01428	7.9
177.01872	0.3
178.99861	3.0
181.50800	0.3
191.03468	0.2
200.01007	0.4
201.02065	0.3
203.03452	0.2
207.28873	0.3
211.02451	0.6
215.03523	0.3
216.00658	0.3
226.02684	0.3
227.03481	0.9
229.01346	0.6
241.03447	0.7
243.02937	2.4
244.00029	0.5
245.04463	0.3
254.02229	0.9
255.02974	11.5
262.05725	0.3
271.02444	21.3
272.03079	1.2
273.03967	0.5
283.02426	1.0
298.98480	0.4
299.01898	0.5
299.99118	13.1
300.02728	51.2
300.99835	9.2
301.03476	20.6
302.03912	0.7
313.05649	2.1
317.54419	0.3
343.04556	0.6
360.45639	0.3
433.04083	6.4
463.08789	13.1
464.09097	0.7
485.96347	0.3
615.09875	100.0
616.10126	6.6
1034.42407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99289	1.1
73.02945	2.0
75.07741	1.3
78.88042	1.0
79.95321	1.1
83.01381	2.9
85.02932	2.1
87.00859	3.0
89.02460	4.2
95.01373	1.9
97.02982	1.5
98.20680	2.5
101.02437	5.7
104.65441	1.2
109.02934	1.8
111.00884	2.1
113.02485	2.8
119.03480	1.2
125.02495	2.3
129.17744	1.2
133.02966	1.8
146.03697	1.7
158.03745	2.2
159.04471	6.2
160.05298	3.0
161.02408	2.3
161.04575	1.8
172.05275	15.6
172.25653	1.1
173.06052	6.9
174.03166	2.7
174.06860	1.4
179.05690	2.3
183.04518	2.1
185.06041	5.1
186.03229	1.2
186.06831	2.1
187.04044	7.8
187.07555	1.3
197.06058	1.9
198.06877	1.1
199.03978	9.2
200.04758	7.8
201.05545	4.6
202.06340	3.5
203.03465	1.1
204.04269	5.1
209.11835	7.4
211.04089	1.3
213.05540	1.9
213.59387	1.3
214.06383	1.4
227.03481	24.4
228.04289	9.0
232.03804	1.5
239.07135	2.5
239.14494	2.0
245.01125	1.3
245.04323	1.9
246.72430	1.2
255.13860	2.3
277.21695	16.1
281.11890	1.3
281.15311	1.3
283.13385	100.0
284.13742	4.3
297.15018	1.3
299.16370	2.0
300.99991	1.8
301.14334	15.9
307.13113	1.4
308.74329	1.1
309.14951	10.2
311.12885	16.6
325.14594	6.0
327.12302	18.6
327.16013	15.8
329.13861	4.3
345.13412	3.2
345.17160	2.1
353.13928	22.4
369.13422	9.3
371.14969	3.4
379.12347	1.5
387.14493	1.5
437.83405	1.2
471.34842	7.0
472.35034	3.9
541.17651	3.8
559.18848	9.7
581.25903	1.7
607.23749	2.2
642.07336	1.3
777.01978	1.3
823.42877	2.9
825.44647	8.4
841.47125	28.3
842.47003	3.2
867.45319	56.2
868.45966	6.3
883.47473	1.5
885.46344	46.3
886.46576	6.8
909.45740	2.4
913.47003	1.8
927.47327	10.3
943.46271	3.6
957.48401	15.7
958.49390	1.3
987.31976	1.1
987.49408	32.5
988.49463	6.2
1003.48663	3.4
1029.49536	1.6
1047.51379	30.1
1048.51880	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	1047.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.7
84.19859	0.6
98.20574	2.2
107.01398	4.7
109.02960	1.6
111.00923	0.9
113.79708	0.7
123.00854	2.8
125.02445	24.5
133.02852	0.8
134.57335	0.7
135.00826	0.7
137.62779	0.7
139.00366	1.5
140.01149	0.8
142.09155	0.8
151.00325	3.4
153.01907	2.1
161.02504	1.2
163.00322	1.0
168.00658	1.1
169.01425	33.7
211.02464	0.9
227.03500	5.9
228.03716	0.9
229.04984	1.6
241.03577	1.3
255.02988	12.1
256.03528	1.9
257.04498	1.7
284.03235	17.1
285.04031	14.3
301.00006	1.3
309.30936	0.8
313.05676	12.3
343.11429	0.9
362.56955	0.7
447.09439	5.9
599.10406	100.0
600.10718	6.9
613.51752	0.8
629.11847	1.0
977.30920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.6601
Annotation	Unknow
Peak:m/z	Relative Intensity
76.46066	0.3
78.45551	0.3
81.52676	0.3
109.02977	0.3
116.23711	0.3
125.02473	0.7
134.29037	0.3
161.02437	0.3
169.01375	0.7
179.38043	0.3
229.01320	0.4
254.12262	0.5
257.00986	0.3
262.15759	0.3
275.01950	0.7
300.99936	1.2
381.55411	0.3
414.84668	0.3
423.09485	0.3
503.94150	0.3
539.31427	100.0
540.31750	9.4
577.74884	0.3
1043.49536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	0.9
86.09905	0.1
87.23615	0.1
91.01917	0.4
93.03450	1.2
95.01385	0.3
98.19933	0.3
101.02410	0.2
107.01389	3.4
109.02933	0.6
111.00893	0.2
113.02473	0.2
117.03471	0.3
119.01376	0.3
123.00893	1.3
124.41223	0.1
125.02439	1.8
127.00388	0.1
131.05023	0.2
133.02960	0.1
135.00862	0.6
137.02423	0.3
139.00357	0.5
140.01192	0.2
141.07112	0.1
143.04993	1.1
145.02956	0.5
149.02597	0.1
151.00357	8.5
152.00740	0.3
153.01892	0.2
154.04230	0.3
155.05038	0.3
156.05830	0.2
157.02972	0.1
157.06601	0.6
158.03748	0.2
159.04495	1.1
163.00372	1.7
164.01176	0.8
165.01935	0.4
167.03625	0.1
167.05023	0.5
168.00575	0.6
169.01413	3.1
169.02827	0.3
169.06558	0.9
171.04495	0.8
173.02460	0.2
182.03641	0.2
183.04515	0.3
184.05241	0.2
185.06079	2.4
187.03990	2.1
189.05534	0.7
195.04459	0.5
196.05078	0.2
197.04456	0.1
197.05998	0.8
198.03235	0.2
199.03966	0.5
201.05539	0.6
211.02425	0.2
211.04019	1.4
212.04520	0.1
213.05527	1.6
214.02588	0.3
214.05962	0.2
215.03488	0.3
223.04025	0.2
224.04686	0.1
227.03513	1.7
229.05032	8.0
230.05333	0.3
239.03464	1.1
240.04169	0.4
241.05020	1.3
243.02921	0.4
255.02988	0.9
256.03693	0.6
257.04538	6.4
258.05005	0.2
267.02921	0.7
271.02518	0.4
284.03281	0.4
285.04025	100.0
286.04373	3.4
300.02768	0.3
301.03488	0.3
313.05634	15.0
314.05960	0.5
447.09259	0.6
599.10382	14.5
600.10596	1.2
925.68652	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	1041.214
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01373	0.4
87.82849	0.2
91.01871	0.3
98.36279	0.2
107.01392	1.9
108.02168	1.3
109.02934	0.9
116.28079	0.2
119.04974	0.2
121.02937	1.4
125.02396	0.2
126.97382	0.3
129.74602	0.2
130.42561	0.2
133.02962	0.5
135.00868	0.6
135.04544	0.5
139.00423	0.3
139.04010	2.4
145.02951	0.9
146.40439	0.2
148.01645	0.8
151.00374	7.8
152.01173	0.4
157.06837	0.2
161.02441	1.0
163.00381	1.7
163.04031	0.7
169.01385	0.5
178.99860	3.2
181.05063	0.3
183.04533	0.4
185.06018	0.3
187.03976	0.2
190.99837	0.3
191.05557	0.3
199.03995	0.7
199.92732	0.3
201.01804	0.3
201.05533	0.5
203.03658	0.3
211.03989	0.9
215.03429	0.4
226.02715	0.9
227.03468	2.4
229.01381	0.3
229.05020	0.5
239.03271	0.2
243.02989	7.3
244.03627	0.3
245.04510	0.9
254.02208	1.7
255.02975	19.7
256.03412	1.0
267.26099	0.2
271.02463	40.9
272.02908	3.0
273.03909	0.8
283.02490	1.2
299.02078	1.0
300.02731	76.6
301.03470	26.8
302.03799	0.8
354.54507	0.3
438.94223	0.2
463.08975	2.1
491.12769	2.4
505.09869	100.0
506.10153	7.0
506.17587	0.4
564.89069	0.2
566.94537	0.2
773.71893	0.3
854.07605	0.3
898.51105	0.3
1048.16321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
82.91038	0.4
85.02960	0.4
89.02465	0.8
101.02456	0.9
109.02948	1.0
113.02392	0.4
117.03474	0.5
121.02987	0.5
125.02374	0.4
132.02162	2.1
133.02951	31.4
134.03670	1.6
135.04518	37.5
136.04826	0.9
137.02448	1.0
148.05304	1.0
149.06079	5.9
152.01146	0.5
160.01627	0.5
161.02434	81.3
162.02763	2.1
163.00452	0.4
169.48984	0.4
175.03949	0.7
177.05542	11.5
178.02745	0.7
179.03490	51.5
180.03798	1.1
184.44075	0.4
187.03954	0.4
189.05525	0.6
203.03520	2.8
221.04533	19.9
222.04869	0.4
227.03427	1.9
229.05087	0.6
245.04538	0.5
251.05589	20.5
252.05843	0.6
255.02977	3.8
256.03345	0.7
257.04449	0.4
281.06653	26.9
282.06934	0.9
284.03271	5.2
285.04053	4.5
300.02805	0.4
302.93713	0.4
305.06406	0.5
323.07751	4.2
341.08746	32.7
342.09158	1.2
443.09705	0.8
485.10785	0.5
489.10312	5.6
490.10583	0.7
491.11856	0.7
503.11935	100.0
504.12253	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	1035.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03470	0.6
84.31285	0.6
93.03455	6.3
95.01397	1.1
95.05047	0.9
105.03452	0.9
107.05038	0.8
108.02180	1.6
109.02963	4.0
113.72835	0.6
116.96255	0.5
117.10596	0.7
121.02953	9.6
122.03742	18.5
123.00883	2.4
123.04523	1.6
124.01708	1.1
125.02448	1.1
133.02985	2.9
134.03758	1.2
135.04530	1.8
136.01668	8.9
136.28398	0.5
137.02440	17.9
138.03189	2.6
139.03999	1.0
145.02975	1.4
146.03735	1.8
147.04507	1.7
148.01675	0.8
149.02435	36.9
149.06084	2.3
150.03220	100.0
151.00357	9.1
151.04016	13.3
151.07634	0.6
152.01154	1.5
152.04730	2.2
152.32507	0.6
153.01930	1.9
153.05605	1.8
159.04449	1.5
160.01738	0.6
161.02448	2.0
161.06029	0.6
162.01279	0.5
162.03236	3.3
163.00359	0.5
163.03981	1.8
164.01149	0.9
164.04791	9.8
165.01927	26.3
165.05563	92.6
166.02707	26.0
166.05901	1.8
167.03481	3.0
168.04279	3.1
175.03966	2.4
176.01173	0.7
176.04768	1.1
177.01852	2.3
177.05544	4.9
178.02711	1.7
179.03513	6.2
179.07117	6.3
180.04286	18.8
181.05052	35.2
182.05345	0.8
184.03748	1.3
187.03947	1.8
188.04727	0.5
189.01805	0.6
190.02773	1.0
190.06424	0.9
191.03503	1.9
192.04292	2.9
193.05013	2.6
194.05803	2.3
195.06613	68.9
196.06941	1.9
202.06258	0.8
203.03618	0.6
204.04204	0.6
205.05055	8.2
206.05679	0.7
207.06635	2.4
209.04538	0.9
209.08133	1.9
210.05309	1.7
211.06042	0.6
219.06593	2.3
220.07451	4.1
221.08063	0.7
223.06184	1.0
225.07666	10.0
231.98149	0.5
235.09634	0.7
265.05133	0.6
281.04514	0.8
282.05280	1.1
283.06384	0.7
287.05475	1.2
297.07718	0.8
299.09201	0.9
315.08835	1.1
327.08524	0.7
328.09113	0.9
329.10208	1.2
339.08606	0.7
341.10403	0.6
343.11771	4.4
355.11572	0.6
357.10007	0.8
359.11298	1.1
372.12009	1.1
373.12875	26.6
374.13327	1.7
379.26492	0.7
385.12946	1.3
386.13391	0.8
387.10223	3.4
387.15198	2.8
388.11505	1.4
402.13034	3.1
403.13922	12.2
416.14661	1.4
417.15469	25.6
418.15881	1.6
421.15039	20.2
487.33463	0.6
505.14771	0.7
535.16870	2.1
550.18451	1.3
551.18781	0.9
565.20734	40.3
566.21228	3.6
577.20959	1.0
595.21814	26.2
596.22064	2.0
599.21265	1.1
613.22766	16.0
614.22992	1.6
643.24347	2.7
668.04993	0.7
743.26617	3.4
773.28522	2.8
791.29565	3.7
821.30609	1.8
839.31525	2.8
939.34741	1.8
969.35352	2.7
987.36713	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	1035.386
Annotation	Unknow
Peak:m/z	Relative Intensity
76.94363	0.4
93.03453	6.0
95.01409	0.9
95.05033	0.6
98.20719	0.7
105.03455	1.1
108.02187	1.3
109.02959	2.9
117.03487	0.4
119.05084	0.4
121.02953	7.4
121.03764	0.6
122.03736	17.9
123.00886	1.5
123.04529	1.4
124.01670	1.0
125.02471	1.9
131.05045	0.5
133.02931	2.2
134.03708	1.0
135.04546	1.2
136.01663	5.1
137.02443	15.3
138.03250	2.6
139.00423	0.5
139.03999	0.8
145.02956	1.5
146.03746	1.4
147.04480	1.1
149.02435	25.6
149.06062	1.4
150.03221	100.0
151.00368	6.9
151.04019	10.5
152.01126	1.3
152.04758	1.4
153.01996	0.5
153.05585	0.9
154.02759	0.4
159.04457	0.8
161.02477	1.8
161.06111	0.6
162.03230	2.2
163.03989	1.4
164.01109	0.7
164.04779	6.1
165.01930	28.1
165.05562	90.4
166.02710	16.5
166.05844	2.5
167.03455	1.7
168.04265	0.7
173.05943	0.5
175.03986	2.7
176.01160	0.4
176.04695	0.6
177.01898	2.0
177.05539	3.3
178.02707	0.5
179.03494	6.1
179.07123	5.1
180.04277	21.0
181.05060	22.4
184.03784	1.0
187.03976	1.7
190.02728	0.6
190.06248	0.7
191.03499	1.4
191.07019	0.5
192.04227	1.6
193.05087	2.1
194.05882	2.0
195.06612	78.8
196.06960	1.6
201.05385	0.4
202.06352	0.7
203.03510	0.4
205.05038	4.6
206.05879	0.7
207.06575	1.3
209.04558	0.6
209.08154	1.8
210.05267	2.3
211.06023	0.5
219.06583	1.5
220.07393	2.3
221.08130	0.9
225.07684	14.9
234.08893	0.4
253.05219	0.4
259.06042	0.8
260.53735	0.4
279.06906	0.4
281.04556	0.7
283.09760	0.4
287.05603	3.4
288.06430	0.6
299.09299	0.4
300.10147	0.4
309.07898	0.5
313.07242	0.8
315.08719	1.0
323.09442	0.4
325.07059	0.4
327.08920	0.5
329.10114	0.6
339.08411	0.5
341.10104	0.5
343.11920	2.1
354.11032	0.4
355.11798	0.6
357.09631	0.7
359.10809	0.6
369.64145	0.4
371.11407	0.8
372.12256	0.7
373.08438	0.6
373.12909	10.6
374.13245	0.5
385.12708	2.2
386.13440	0.4
387.09839	2.4
387.14932	4.8
388.11334	0.7
394.05161	0.4
401.12427	0.5
402.13089	2.1
403.13916	6.3
416.14609	1.0
417.15515	20.7
418.15906	1.0
421.15036	8.3
469.34045	0.5
487.33978	2.5
503.33972	0.4
535.15558	1.9
547.19116	0.5
550.17999	0.7
564.19733	1.3
565.20776	24.8
566.21167	2.6
577.21082	0.5
581.21021	0.5
583.21802	0.6
591.62360	0.4
594.21344	0.9
595.21826	15.1
596.21887	1.4
599.21283	1.3
613.22919	14.5
614.23059	1.0
625.22156	0.6
643.24036	2.2
649.23010	0.5
667.24078	0.6
697.24176	0.5
743.27039	4.3
744.26965	0.5
755.27917	0.5
773.27905	2.7
791.28894	4.0
803.28094	0.9
821.29816	2.0
839.31226	2.7
939.34009	0.8
969.35486	1.3
987.37378	0.9
999.35822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0401
Annotation	2-Hydroxy-2-methylpropanoate
Peak:m/z	Relative Intensity
51.93716	0.4
55.01880	0.9
57.03448	100.0
58.03790	2.6
59.01368	1.3
59.05007	1.7
63.73264	0.3
70.41174	1.3
73.02944	1.7
75.46516	0.4
83.01399	0.8
85.02950	38.2
86.03310	1.1
93.22621	0.3
97.79736	0.4
98.19941	0.4
101.02443	18.3
102.02763	0.7
103.04010	25.4
104.04349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
71.34715	67.7
79.58827	66.4
81.84586	62.9
89.74907	62.6
98.19958	70.4
99.77026	62.5
116.09467	61.2
116.92840	100.0
140.29216	66.4
253.73895	69.1
306.23221	76.1
416.82562	65.8
515.43854	72.3
595.82172	63.2
861.62659	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
83.15559	0.4
95.01361	0.5
97.03001	0.4
101.02404	0.5
107.01386	4.5
109.02925	0.4
111.00890	0.6
111.36832	0.3
113.02416	0.7
123.00890	2.9
125.02447	24.3
126.02785	0.4
139.00357	1.1
140.01109	0.7
151.00369	4.1
153.01901	0.3
160.01567	0.4
160.13460	0.3
161.02441	0.4
163.00288	0.6
168.00609	1.3
169.01416	39.9
170.01785	0.8
186.74622	0.3
187.03972	0.7
211.02411	1.3
227.03481	6.0
229.05089	1.7
230.26765	0.4
239.03383	0.4
241.03479	2.6
242.47360	0.4
255.02960	12.2
256.03726	1.6
257.04501	1.3
267.02875	0.4
269.04565	0.5
271.04730	0.4
275.01895	0.5
284.03247	19.2
285.04016	16.3
286.04352	0.7
299.99103	2.2
300.02737	1.1
300.99847	2.2
301.02850	0.4
313.05630	11.1
314.05942	0.9
327.05310	0.3
423.70291	0.3
433.04037	2.5
447.09171	2.4
509.84833	0.3
526.95184	0.3
599.10394	100.0
600.10693	8.7
601.10895	1.2
635.56030	0.3
1049.29419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
73.86153	0.5
83.01358	0.7
83.16716	0.4
84.41982	0.6
85.53292	0.4
97.72221	0.5
107.01388	3.1
108.02149	1.0
109.02943	1.3
119.05011	1.8
121.02974	1.3
123.00845	1.0
125.02439	2.5
135.00865	0.9
135.03046	0.5
145.02921	1.8
148.01707	0.9
151.00368	7.9
153.01953	0.5
161.02411	0.8
161.06068	1.3
163.00327	2.1
163.04001	2.3
164.01106	0.9
169.01434	4.1
178.99840	3.8
183.04501	0.6
187.03969	0.8
199.04051	0.8
199.84906	0.5
205.04968	0.7
211.04018	1.1
216.04326	0.6
219.49203	0.5
226.02728	0.6
227.03493	5.1
229.05067	1.5
239.03389	0.7
243.02950	7.9
245.04512	1.0
254.02251	2.4
255.02971	26.4
256.03552	0.8
257.04736	1.0
265.07086	0.7
271.02466	42.7
272.02893	3.4
273.03964	0.6
283.02451	1.1
284.03253	11.2
285.04019	13.4
299.02011	0.7
300.02725	90.6
301.00125	1.2
301.03455	31.0
302.03824	1.0
433.07904	15.9
434.08148	0.8
445.07776	1.2
463.09042	2.2
477.10364	12.6
478.11002	0.8
505.09872	100.0
506.10236	8.1
593.15088	30.1
594.15643	1.4
940.38245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00880	0.5
80.05048	1.0
83.01392	0.5
85.02957	1.5
87.00858	0.4
89.02451	3.3
93.03479	1.1
94.64019	0.4
95.01366	0.7
98.20635	0.6
101.02464	2.3
107.01394	1.1
108.04565	6.7
109.02930	0.6
113.02470	1.5
119.03529	1.0
121.05363	0.7
122.06133	0.7
125.02432	1.1
132.02190	0.6
132.04544	0.7
135.00888	0.7
136.07674	9.4
137.02487	0.5
138.05624	0.8
147.03264	1.2
151.00424	0.6
153.01973	0.7
159.04475	0.7
161.02373	0.6
162.05597	4.6
163.00339	1.3
167.04941	0.5
171.04497	0.5
185.06056	1.3
187.04019	1.4
195.57098	0.5
199.04022	0.6
211.04019	1.4
213.06760	0.8
227.03482	12.9
227.11867	1.2
228.03847	0.6
229.04996	5.2
229.09833	1.3
237.06337	0.7
238.07469	1.2
239.03456	1.2
241.06094	0.9
242.07007	1.2
243.11337	1.7
246.11569	0.5
253.09799	3.0
255.02963	32.4
255.11420	0.6
256.03595	2.3
256.08521	1.2
257.04550	4.4
267.02747	1.0
270.10077	1.3
271.10861	58.7
272.11310	2.8
283.02466	0.5
284.03244	53.6
285.04016	59.8
286.04294	2.5
299.99338	0.4
300.99869	0.6
451.17297	1.6
489.10352	100.0
490.10699	7.5
491.11938	0.6
495.16174	33.4
496.16522	1.8
719.49817	0.4
760.10870	0.5
796.15869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	28.5
73.02950	4.5
73.10242	2.4
81.38988	3.0
82.51842	2.9
85.02950	6.1
87.00879	10.1
89.02438	19.5
89.46381	3.1
95.01382	4.0
97.02938	7.1
101.02458	24.4
113.02441	15.0
119.03477	6.4
121.65950	3.6
125.02439	11.0
125.09693	3.5
137.09697	3.7
143.03522	5.4
152.82043	3.0
161.04576	3.7
163.11179	4.5
179.05600	5.2
185.11797	5.9
185.65910	3.1
187.43794	3.0
191.14386	6.8
207.10321	4.8
209.11777	17.0
221.87340	3.1
225.11342	3.7
231.03610	3.1
235.08156	9.2
237.11362	5.9
242.60553	2.9
245.19041	17.4
256.21643	3.4
263.20035	4.1
268.88483	3.1
271.17130	3.5
277.21713	100.0
278.21890	3.0
289.18085	93.5
290.18433	6.8
305.08682	5.0
307.15668	4.6
307.19135	84.6
308.19467	5.1
323.09796	3.9
379.12479	6.4
397.13516	85.6
415.14716	23.1
567.73102	3.5
687.32312	5.4
792.10443	3.0
823.31012	3.5
965.55243	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	1025.6936
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05022	8.6
71.52944	0.9
73.02934	0.7
78.95877	0.8
83.05016	2.3
85.06595	2.2
87.04477	0.9
87.74989	0.7
96.96018	0.7
97.06583	1.6
101.02448	1.0
107.05006	0.7
109.06602	3.8
116.27564	0.7
119.05022	0.7
120.51893	0.7
123.08171	0.9
125.02445	0.9
137.02467	0.8
137.09708	1.1
145.02924	2.3
147.24348	0.6
161.02403	0.8
163.03978	1.2
173.52652	0.7
183.43411	0.6
191.05600	2.4
205.15968	7.1
214.51762	0.8
221.75385	0.7
236.52773	0.8
277.04337	0.7
299.99078	0.7
300.99850	1.1
302.53519	0.7
321.22006	0.7
323.22736	1.4
325.25412	1.6
337.25574	1.8
339.23279	2.8
345.20865	0.8
355.26367	2.1
357.24185	3.2
369.24069	0.9
373.27499	3.0
385.27795	1.1
387.25467	1.2
393.27872	1.6
395.29553	2.1
405.31976	0.7
406.23578	1.0
407.29517	1.5
409.31107	2.5
411.32993	3.2
419.29663	0.8
421.31531	3.8
423.28793	2.2
425.34317	27.4
426.34677	3.5
427.32086	1.1
437.30972	4.2
439.25589	1.4
439.32245	20.4
440.32672	1.2
441.34262	7.6
442.26550	1.3
442.33765	1.3
443.35278	100.0
444.35593	12.3
445.35687	2.3
455.32001	0.8
456.31766	1.1
457.33301	44.8
458.33469	2.5
459.30444	0.8
461.36502	1.6
471.30960	3.9
473.32581	11.1
474.03555	0.8
474.26352	1.4
474.32971	10.6
475.34235	43.8
476.34537	3.0
483.31152	13.2
484.31641	1.2
485.32880	1.1
487.34290	67.3
488.34674	9.8
489.34198	2.7
501.32260	22.1
502.32382	2.0
505.35397	64.0
506.35791	7.2
507.36020	2.0
517.31805	4.7
518.31995	4.7
519.33374	74.2
520.33960	5.9
533.31195	0.9
545.31152	2.6
802.25195	0.9
944.83289	1.0
1025.42273	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	1023.6771
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05021	11.7
73.02960	1.0
76.98804	7.4
83.05027	5.5
85.06618	0.7
97.06606	1.6
103.51941	0.3
107.05130	0.4
109.06593	1.6
133.06674	0.3
137.09724	0.8
149.09694	0.5
189.12822	2.5
203.14413	1.8
205.15973	5.3
213.00029	0.3
219.13925	1.1
219.17503	1.0
235.54655	0.3
277.77267	0.3
287.20227	0.3
300.99991	0.3
306.19925	0.4
307.20633	0.6
314.89420	0.3
319.24332	0.6
321.22284	2.4
323.23856	0.5
335.23654	0.5
337.22159	0.3
337.25415	2.9
339.23175	0.5
339.26907	1.3
349.25342	1.1
351.26984	1.4
355.26447	2.3
367.26428	0.9
369.24103	0.5
369.28043	2.2
379.30093	1.2
383.21588	0.3
389.27124	0.5
391.26413	1.0
393.27814	0.6
399.25461	0.4
401.27197	0.6
405.27808	0.6
406.28857	0.4
407.29709	2.2
409.31433	1.7
411.25143	0.3
413.27008	0.5
419.29416	1.1
421.26978	0.3
421.31277	3.7
423.32773	14.6
424.32990	0.8
425.30722	1.1
437.30807	1.6
439.32208	11.8
440.32397	1.1
441.33707	100.0
442.34073	8.6
443.34390	0.5
455.31586	5.9
456.31705	0.8
457.33200	48.1
458.33514	4.3
459.34631	1.1
467.31732	0.4
473.32654	2.1
475.34549	1.4
483.31223	0.9
485.32715	44.3
486.33121	4.1
487.34006	0.7
501.32257	24.0
502.32581	2.6
503.34036	14.4
504.34445	1.9
515.30450	0.4
518.31152	0.3
519.33282	8.3
520.33295	0.9
1042.44519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.6769
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05022	8.7
83.05030	0.4
97.06587	0.4
99.04503	0.3
109.06596	0.2
121.06564	0.2
125.02475	0.2
143.11331	0.2
161.02635	0.2
205.15952	2.0
215.14285	0.2
239.86534	0.2
321.22290	0.5
335.23676	0.3
337.25317	0.4
351.26932	2.5
355.26440	2.0
359.25653	0.2
363.27060	0.3
367.26205	0.6
369.27939	4.3
370.28180	0.2
371.25934	0.3
377.28253	0.2
379.29950	1.0
387.25595	0.4
389.27161	1.2
391.25989	0.3
391.30362	0.3
399.25439	0.5
401.26938	2.4
405.27795	0.3
407.29639	0.5
409.31586	0.9
410.31619	0.2
411.32819	0.2
413.26846	1.4
421.31024	0.8
422.31671	0.3
423.33017	2.5
425.30258	0.3
437.30502	0.6
438.30792	0.4
439.32089	4.5
440.32465	3.3
441.33652	8.7
442.33920	0.5
443.31567	1.5
453.30273	0.3
455.31906	0.9
456.32022	0.4
457.33282	1.6
458.33777	0.7
459.35126	1.4
467.31750	0.6
471.31403	0.4
472.31213	0.3
473.32660	1.4
475.29999	0.2
483.31198	0.5
484.31470	0.5
485.32791	7.0
486.32968	0.7
487.33844	0.4
489.35626	0.6
491.33881	0.6
501.32230	9.9
502.32553	11.4
503.33725	100.0
504.34140	6.8
505.34256	0.3
515.30365	0.3
517.31567	0.4
518.31793	0.2
519.33337	3.5
520.33728	0.3
521.34125	0.5
815.48859	0.2
1023.67316	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	1023.677
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93726	0.7
71.05022	4.3
73.02941	0.5
76.98803	1.0
78.20847	0.3
78.96002	0.2
83.05021	0.6
84.19431	0.3
97.06570	0.5
115.04776	0.3
125.02461	0.3
128.74998	0.3
151.54013	0.3
174.18770	0.3
189.12863	0.9
205.15936	1.5
321.22305	0.3
335.23694	0.4
337.25403	0.6
339.26883	0.5
349.25491	0.3
351.26880	0.9
355.26358	1.6
367.26300	0.5
369.27982	1.4
377.28308	0.4
379.29971	0.5
387.30435	0.6
389.27408	0.6
391.26239	0.4
401.26883	0.7
405.27704	0.4
406.28647	0.9
407.29422	1.4
409.31369	1.2
413.27008	0.7
419.29568	0.6
421.31250	1.6
423.32733	6.2
424.33298	0.6
425.30606	1.5
430.04263	0.3
437.30444	1.0
439.32166	6.8
440.32477	1.2
441.33707	24.9
442.34161	1.9
443.31238	0.4
453.29666	0.3
455.31607	4.1
456.31973	0.6
457.33246	6.4
458.33646	0.7
459.34708	1.1
465.54086	0.3
467.31805	2.4
473.32727	5.0
474.33231	0.5
475.34152	0.4
483.31259	0.4
485.32706	20.8
486.33029	2.2
489.32513	0.7
490.32352	0.3
491.32736	0.3
501.32156	5.3
502.32715	2.1
503.33762	100.0
504.34076	7.7
505.35110	0.5
517.31592	1.1
518.32190	0.4
519.33429	5.7
520.33588	0.7
719.19208	0.3
756.60602	0.3
1023.67670	2.7
1024.68774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	1.4
73.02932	0.4
79.02788	0.4
95.01375	0.8
95.42102	0.4
97.02940	0.5
101.43288	0.4
107.01391	5.0
111.00881	0.7
113.02402	0.4
123.00875	2.2
124.01640	0.6
125.02442	22.3
126.02789	0.5
139.00365	1.0
140.01115	0.6
151.00356	4.0
165.02029	0.5
168.00645	1.4
169.01414	38.4
170.01740	0.9
200.28398	0.4
211.02408	0.6
227.03453	5.1
229.05057	1.4
234.74313	0.4
241.03355	2.1
255.02988	12.1
256.03583	1.5
257.04434	0.8
284.03217	16.5
285.04013	15.7
286.04211	0.9
300.02570	0.5
313.05634	10.9
447.09158	2.5
500.15054	0.4
562.22504	0.4
598.39038	0.5
599.10376	100.0
600.10828	9.9
721.88190	0.5
831.46613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57941	100.0
70.58285	53.4
71.77926	47.5
78.80065	40.7
169.80899	46.5
294.21509	50.9
582.54041	50.3
583.41418	53.1
913.96167	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	1.7
71.69870	0.3
82.20156	0.3
85.02943	0.5
97.02941	0.5
101.02409	0.5
101.38093	0.3
107.01390	5.3
109.02936	0.4
110.37879	0.3
111.00886	0.4
113.02468	0.5
114.35109	0.3
123.00912	2.4
124.01751	0.4
125.02445	24.7
137.02467	0.6
139.00404	0.8
140.01060	0.4
141.01903	0.4
151.00372	3.9
163.00357	0.4
168.00636	1.3
169.01418	38.5
170.01796	1.0
185.06166	0.5
187.03906	0.5
211.02463	1.5
213.05632	0.5
227.03471	5.6
229.05032	1.1
239.03397	0.6
241.03479	2.2
255.02988	11.5
256.03571	1.5
257.04501	1.1
271.04572	0.6
284.03262	19.3
285.04001	16.2
286.04501	0.5
300.02618	0.7
313.05609	11.1
447.09283	3.2
599.10394	100.0
600.10724	9.9
601.10333	0.5
642.19745	0.4
959.98291	0.4
1052.10205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.6768
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05022	6.4
73.02971	0.7
77.17966	0.5
77.32363	0.7
82.21457	0.7
84.05952	0.5
86.13190	0.6
96.95975	1.1
97.06596	1.7
97.73136	0.5
116.92784	0.6
124.21452	0.6
125.02464	1.2
145.99788	0.7
149.09674	0.6
162.85904	0.6
169.01430	1.1
175.11145	0.6
207.47072	0.6
235.17096	0.8
291.18005	0.6
297.69534	0.7
300.99796	1.7
310.59332	0.6
319.24286	2.6
323.24060	0.8
331.24146	1.3
337.21609	0.9
367.26401	0.9
387.26404	4.9
387.31445	3.2
393.24069	1.4
399.25531	1.1
399.31158	0.7
403.30173	1.6
405.27771	1.7
406.28391	1.5
407.29758	1.4
409.27628	1.8
411.25247	0.9
421.26321	0.8
421.31177	4.7
423.28146	6.0
423.33398	2.3
425.30225	0.8
437.31189	0.9
439.32178	44.4
440.32501	6.0
441.34503	4.9
443.31573	0.9
455.31699	2.3
457.33130	1.7
467.32062	10.5
468.32010	1.7
473.32663	7.0
474.33371	1.5
475.34003	0.9
483.31131	3.8
485.32718	100.0
486.33093	14.8
487.33603	3.8
489.31351	4.5
490.32776	5.2
491.33459	8.0
501.32175	30.1
502.32605	4.1
503.33780	5.9
504.33862	1.3
505.34647	1.3
517.31519	1.5
518.32056	1.8
519.33264	66.3
520.33557	10.3
521.33600	2.0
768.10602	0.8
1011.66504	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	1013.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
107.01372	1.8
108.02186	0.9
109.02968	1.0
121.02972	1.0
135.00893	0.9
137.02379	0.4
148.01649	0.6
149.95393	0.3
151.00374	7.6
163.00369	1.6
178.99843	3.5
198.03143	0.4
207.82716	0.4
211.04066	0.6
216.04184	0.5
226.02670	0.9
227.03503	2.2
229.05093	0.6
243.02965	6.7
244.03442	0.7
245.04529	0.5
254.02228	1.6
255.02982	19.6
256.03467	1.0
271.02466	41.1
272.02972	2.1
273.03937	0.9
283.02347	0.8
299.01852	0.9
300.02740	76.2
301.03479	27.8
302.03864	1.2
377.24570	0.4
463.08783	2.9
505.09866	100.0
506.10159	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	1011.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01890	1.1
71.54136	1.9
78.95890	1.8
80.01170	1.1
81.03456	4.0
81.51344	1.0
81.92047	1.0
83.01395	7.5
93.03461	3.5
95.01388	2.1
95.05008	3.9
96.00137	1.2
96.95982	1.3
97.02943	10.3
98.24166	1.2
105.03474	1.3
107.05048	1.5
108.02158	2.0
109.02950	27.2
113.02451	1.4
119.99549	1.1
121.02943	7.2
122.03694	1.4
123.04536	19.0
125.02454	24.8
125.09717	1.5
133.02919	1.9
135.04474	3.4
137.02454	24.2
138.03178	2.3
139.03981	6.0
145.02936	3.3
146.03722	3.6
147.04546	1.6
149.02463	7.6
150.03194	1.8
151.04022	10.2
159.04494	8.3
160.05377	2.4
161.02446	6.5
161.06071	12.9
162.03220	5.1
163.00356	3.1
163.03929	2.7
164.01122	8.3
165.01939	11.0
167.03539	3.5
173.06003	1.7
174.03200	1.8
175.03987	4.3
175.07631	5.9
177.01944	4.1
177.05486	3.3
179.03500	8.2
185.05991	1.8
187.03979	11.4
188.04761	5.2
195.74091	1.3
199.07729	1.6
201.05438	1.6
202.06302	3.7
203.03561	1.9
203.07129	21.0
204.07419	1.5
205.05074	13.2
221.08163	3.7
223.13426	2.7
227.07118	3.6
229.05049	1.5
230.05724	2.1
245.05750	2.0
245.08170	26.6
247.06128	2.5
271.06107	3.9
277.21777	4.1
289.07178	100.0
290.07455	4.4
301.00162	2.2
805.44904	2.0
817.81451	1.5
859.44891	4.7
882.76117	1.2
993.48907	5.6
1011.49561	89.7
1012.49615	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	1011.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	14.8
71.51451	2.1
84.99707	2.1
85.02945	2.5
87.00895	5.8
89.02434	12.0
91.76672	2.2
94.41376	2.2
101.02440	13.3
113.02473	7.3
125.02457	3.9
139.04124	2.1
183.10199	2.9
235.08179	4.6
235.16882	4.3
275.19928	10.9
277.21683	46.7
287.07770	2.2
293.21219	100.0
294.21530	5.1
364.50882	2.6
366.07574	2.4
379.12418	5.2
397.13525	41.5
415.14539	12.9
675.36157	2.8
691.35809	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	1009.6979
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05027	5.7
72.62537	0.3
74.40594	0.3
80.10909	0.4
83.05016	0.8
85.06575	1.0
93.03432	0.3
97.06581	0.5
99.08098	0.3
109.06546	0.4
118.21090	0.4
119.08681	0.3
123.08096	0.3
134.96609	0.3
173.04517	0.4
188.77408	0.4
205.15930	3.0
221.20714	0.3
225.71997	0.4
264.19470	0.4
269.20346	0.4
306.19730	0.4
307.20462	0.4
321.22577	0.6
322.22672	0.4
323.23636	0.9
325.21619	0.4
325.25287	0.4
337.25186	1.0
339.26794	0.4
341.24545	0.4
343.26437	1.0
351.27045	0.5
355.26358	0.8
369.27692	0.7
371.29193	0.4
379.30182	0.5
387.30524	1.2
393.27954	1.5
395.29434	1.2
407.29208	0.8
409.31284	1.8
411.32831	1.7
421.31363	1.8
422.31378	0.6
423.32700	3.3
424.33170	1.3
425.34366	14.2
426.34528	1.2
427.32434	0.5
437.30838	0.4
439.32098	6.2
440.32449	1.5
441.33749	22.0
442.34122	5.3
443.35263	48.7
444.35663	3.5
453.29962	0.4
455.31720	1.3
457.33279	2.4
459.34625	2.7
461.35974	1.1
467.31808	3.7
468.31821	2.0
469.32248	0.7
473.32736	1.6
475.34235	9.2
485.32709	16.4
486.33035	6.7
487.34183	17.5
488.34482	1.2
501.32397	0.5
503.33807	43.3
504.34152	25.7
504.41937	0.4
505.35260	100.0
506.35632	8.1
612.20892	0.5
1009.41418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	0.7
99.44015	0.6
107.01400	1.1
109.02936	0.7
125.02437	2.7
135.02983	0.7
135.04524	1.8
148.29062	0.6
151.00369	4.3
161.02386	0.9
163.00308	0.6
163.03905	0.6
173.02356	0.7
178.99872	0.6
187.03914	0.6
199.03972	1.5
201.01843	0.7
215.03410	0.7
226.21967	0.6
227.03467	2.1
231.02837	0.8
243.02946	3.3
244.03366	0.8
255.02921	1.5
271.02463	33.9
272.02805	3.2
285.03931	0.9
287.02228	0.6
299.01953	59.6
300.02548	12.1
301.03476	26.2
302.03809	1.4
313.03116	0.7
343.04379	1.7
447.39758	0.6
462.08051	15.7
463.08633	4.2
464.08676	1.5
505.09793	5.9
625.13708	1.0
667.15131	100.0
668.15424	13.4
669.16052	5.3
711.13806	0.8
720.09058	0.8
1005.31403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.6583
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	1.6
71.05019	11.1
73.02962	5.7
77.05038	1.2
83.05003	1.5
88.98815	1.7
89.01649	1.3
97.06599	1.6
99.04511	1.5
108.45254	1.0
125.02477	1.7
131.82106	1.1
135.04471	1.3
151.68428	1.2
158.96107	1.1
163.51787	1.0
169.01418	1.2
181.87958	1.1
191.05569	2.0
191.14450	1.5
205.16069	1.1
242.16350	1.4
245.00801	1.5
300.99887	3.9
319.24252	4.6
323.23727	1.8
337.21600	1.3
353.28271	5.7
367.26270	1.9
387.26443	6.1
387.30786	3.3
389.28149	1.5
393.24323	2.0
405.27902	1.5
407.29462	4.5
409.31485	2.1
413.30603	1.5
421.31168	5.5
423.28256	7.1
425.30560	2.8
427.32230	6.6
429.33310	1.5
437.30392	3.3
439.32153	48.1
440.32639	5.4
441.34204	8.8
443.31567	3.6
455.31769	5.6
457.33258	1.7
467.31946	9.9
471.31119	3.9
473.32779	7.2
474.32767	1.6
483.30859	5.7
485.32712	100.0
486.33127	13.1
487.33560	7.4
488.35110	6.2
489.32266	89.5
490.31934	8.8
499.30441	4.3
501.32230	39.4
502.32605	7.9
503.33783	27.8
504.33878	6.2
505.34085	3.7
517.31696	21.0
518.31586	3.2
519.33276	66.7
520.33466	6.9
533.31189	2.3
585.71497	1.4
1009.65485	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	1007.6819
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05027	1.1
71.30090	0.2
83.05025	0.2
86.57979	0.1
89.11232	0.1
91.34622	0.1
97.06583	0.1
109.06574	0.3
118.32808	0.1
122.17286	0.1
143.93810	0.1
205.16002	0.3
211.09052	0.1
276.54089	0.1
323.22302	0.2
344.12677	0.1
355.26517	0.3
357.24020	0.3
367.26385	0.3
371.29230	0.3
373.27374	0.5
377.28391	0.2
405.31714	0.5
407.33521	1.1
421.30939	0.6
423.28186	0.2
423.32745	0.5
425.34299	1.5
426.34509	0.2
427.32242	1.6
437.30493	0.4
439.25000	0.4
439.32162	2.1
440.32520	0.2
441.29453	0.2
443.35260	0.9
455.31516	0.4
457.33289	1.5
458.33664	0.2
469.33200	13.9
470.33459	1.4
475.34222	0.4
483.30978	0.3
487.34265	100.0
488.34634	8.9
513.32043	0.4
519.33234	15.3
520.33508	1.3
603.10278	0.1
1007.68213	4.4
1008.69025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.6832
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04957	0.7
83.05019	2.1
88.98724	0.2
91.14205	0.2
94.49854	0.2
94.59496	0.2
97.06528	0.5
109.06503	0.3
125.02352	0.2
133.10146	0.2
135.89735	0.2
164.58449	0.2
173.13249	0.7
175.92467	0.2
180.09523	0.2
191.14334	0.2
205.15891	0.7
300.99698	0.3
339.26938	0.3
355.26465	0.4
357.28006	0.8
359.27280	0.7
371.23608	0.2
373.24991	0.4
373.29050	0.4
375.26773	0.2
375.30688	2.0
377.28400	0.2
379.29874	0.3
389.28094	0.5
393.31754	0.3
397.31100	0.3
401.27045	0.5
405.31818	1.1
407.29507	4.0
408.29770	0.5
409.31250	0.4
413.30716	0.8
421.31329	0.9
423.32761	2.2
425.30588	0.5
437.30536	0.8
439.32138	1.4
440.32391	0.3
441.33820	3.6
452.13696	0.2
455.31570	1.1
457.33554	0.2
459.35403	0.8
467.31613	10.5
468.31808	1.0
473.32364	0.9
482.39627	0.2
483.31281	0.2
485.32700	100.0
486.33102	8.7
487.33945	1.8
488.34067	0.3
489.35489	0.6
501.32373	1.5
502.32593	0.7
503.33746	2.4
504.34207	0.6
505.34653	0.2
511.30670	0.4
517.31476	0.2
519.33282	0.5
520.33978	0.2
521.34821	21.6
522.35077	1.5
529.31787	0.2
714.45911	0.2
1007.68243	4.0
1008.68463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.6812
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01364	0.6
71.05006	0.5
73.02934	0.5
73.74305	0.3
76.26907	0.3
88.72421	0.3
97.06563	0.9
120.48486	0.4
125.02432	0.7
133.62335	0.3
135.29256	0.3
144.09651	0.4
154.66568	0.3
159.81548	0.3
166.43541	0.4
169.01424	0.3
243.00105	0.3
259.17569	0.3
263.71863	0.3
300.99826	0.7
374.25903	0.4
379.29944	0.5
387.30527	2.4
389.28543	3.9
405.31775	0.7
406.28632	3.6
407.29248	1.7
409.31030	1.1
421.30951	1.4
422.31271	0.5
423.08218	0.3
423.27643	0.5
423.32761	6.0
424.33264	0.8
439.27835	0.7
439.32968	0.4
441.33716	0.6
453.29999	0.6
455.31680	1.7
456.31937	0.4
457.33127	1.3
458.33542	0.4
459.34613	0.6
467.31647	2.3
468.31723	0.4
469.33185	100.0
470.33575	11.5
470.40317	0.6
471.33798	2.6
473.32202	0.3
483.31049	0.7
484.31268	0.8
485.32693	9.1
486.33002	1.2
487.34085	1.5
501.32227	5.1
502.32486	7.3
503.33740	42.7
504.34161	4.9
505.34579	1.1
513.32166	5.3
514.32452	0.6
519.33380	0.6
529.31702	0.4
562.81842	0.3
974.71442	0.4
1007.66608	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	1005.6665
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	0.3
71.05013	1.2
73.02922	0.4
78.65541	0.2
83.01273	0.2
83.05036	0.6
95.05041	0.4
111.04531	0.3
169.01390	0.3
169.99324	0.2
189.12834	0.2
222.52644	0.2
253.80162	0.2
275.01718	0.2
307.20526	0.2
321.20544	0.5
340.84012	0.2
357.25897	0.6
363.26978	0.5
369.25739	0.3
371.23746	0.2
373.24829	0.3
373.29025	0.5
375.26822	0.5
377.28455	0.7
379.30161	0.5
385.28876	0.4
387.26822	0.8
389.24408	0.4
389.28848	0.3
391.30185	0.8
393.31793	1.6
395.29529	0.6
401.28375	1.8
403.30423	1.1
405.27670	1.2
406.28510	0.3
407.29608	0.8
409.31229	2.3
410.31555	0.3
411.32520	0.7
417.27679	1.1
418.25076	0.3
419.29709	1.5
420.30508	0.3
421.31137	9.9
422.31348	0.9
423.29001	0.8
425.30350	0.7
427.32208	0.4
435.28925	0.5
437.30585	1.9
439.32156	5.6
440.32474	0.6
441.33731	1.3
443.35803	1.4
447.29025	0.5
453.30023	1.3
455.31717	5.0
456.32108	0.5
457.33249	4.3
458.33469	0.6
459.35400	0.3
465.29953	1.1
471.31137	2.4
472.31686	0.3
473.32819	0.4
475.34259	2.0
483.31140	2.2
485.32718	3.5
486.33102	0.3
487.29977	0.3
487.35272	0.3
489.32196	23.2
490.32480	2.4
491.32513	0.3
499.30722	0.7
501.32202	100.0
502.32584	10.0
502.38400	0.2
503.33752	43.5
504.34125	3.8
505.35226	1.4
507.33398	0.3
517.31604	2.3
533.31183	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	1005.6668
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01353	0.2
71.05019	1.3
73.02946	0.4
79.30499	0.2
81.03446	0.2
83.05018	0.6
85.02952	0.2
85.06603	0.2
89.76190	0.2
95.01337	0.2
95.05012	0.2
98.19875	0.4
99.14684	0.2
108.31196	0.2
109.06566	0.3
111.04523	0.3
123.08110	0.2
123.12515	0.2
139.00264	0.2
146.40103	0.2
149.09731	0.2
157.10107	0.2
165.81772	0.2
169.01350	0.2
205.15947	0.3
227.18861	0.2
301.00082	0.4
357.25803	0.5
363.26868	0.4
369.25970	0.3
373.28925	0.4
375.26593	0.3
377.28363	0.7
379.29968	0.5
385.29095	0.3
387.26791	1.1
389.28830	0.4
391.30289	1.0
393.31909	1.3
395.29840	0.3
401.28598	1.7
403.30127	1.2
405.27521	0.8
406.28439	0.4
407.29514	1.0
409.31210	1.7
411.32639	0.9
417.28140	1.1
419.29620	1.4
421.31161	9.2
422.31418	0.8
423.28311	0.5
423.33173	0.5
425.30191	0.6
425.34964	0.4
427.32025	0.4
435.29047	0.5
437.30682	1.4
439.32196	4.5
440.32568	0.7
441.34219	2.2
443.35739	1.6
447.29034	0.5
453.30154	1.0
455.31665	4.0
456.31897	0.6
457.33270	3.8
458.33786	0.3
459.34741	0.5
465.30093	1.1
471.31183	1.4
473.32813	0.8
475.34235	3.6
476.34949	0.4
483.31104	1.9
485.32733	4.0
486.33298	0.4
487.35025	1.0
489.32208	12.2
490.32544	1.5
491.33130	0.3
499.30457	0.6
501.32205	100.0
502.32532	10.9
503.33749	42.5
504.34134	3.3
505.35312	2.1
517.31671	3.3
518.31488	0.2
533.31030	1.4
841.39453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.6659
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01344	1.3
71.05001	2.5
71.53289	1.2
97.06583	1.5
109.02972	0.8
118.05081	0.9
122.68243	0.8
125.02409	1.6
160.23341	0.7
169.01445	1.8
286.05542	0.7
300.99786	2.1
387.30600	2.0
389.28415	2.3
391.30142	0.9
406.28708	3.0
407.29214	1.5
409.31003	1.7
421.31076	4.1
423.32889	7.7
437.30731	1.6
439.32101	3.5
441.34055	1.2
453.29889	1.0
454.68619	0.9
455.31610	6.4
456.32629	1.0
457.33310	7.6
465.30038	3.7
467.31555	2.7
469.33197	99.1
470.33459	9.3
483.31058	12.7
484.31589	2.3
485.32727	10.0
487.34274	4.5
499.30685	4.2
500.31229	3.8
501.32199	100.0
502.32480	13.5
503.33768	33.2
504.34180	2.5
513.32190	2.7
517.31708	2.6
519.33032	2.0
627.49438	0.9
747.15393	0.9
1005.51318	1.6
1005.67725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
73.50531	0.3
81.03430	0.5
86.77892	0.3
90.75691	0.4
93.03455	6.0
94.33958	0.4
95.01390	1.0
95.05031	0.6
105.03432	0.7
107.05000	0.5
108.02162	0.9
109.02962	2.2
121.02958	7.7
122.03743	18.1
123.00882	1.2
123.04514	1.5
124.01628	0.6
125.02422	0.5
132.02190	0.7
133.02972	1.9
134.03749	1.3
135.04533	1.3
136.01653	7.6
137.02444	5.2
137.06122	0.3
138.03239	1.7
139.00342	0.8
139.04015	0.8
139.15703	0.4
145.02962	1.3
146.03749	2.2
147.04530	0.8
148.01711	0.7
149.02438	30.5
149.06041	1.0
150.03224	100.0
151.00380	4.1
151.04024	9.6
152.01155	0.6
152.04823	0.8
153.01871	0.7
153.05530	0.5
161.02466	1.1
161.06073	1.0
162.03258	2.4
163.04016	0.9
164.04784	6.8
165.01959	2.9
165.05565	89.1
166.01300	0.7
166.02710	11.3
166.05879	1.2
167.03459	1.5
169.01485	0.8
175.03972	2.6
176.04784	0.5
177.01920	1.0
177.05583	2.7
178.06044	0.4
179.03506	1.8
179.07112	4.8
180.04303	7.3
181.05063	14.5
182.05318	0.5
184.03876	0.5
187.04056	1.0
188.04846	0.5
190.02655	0.4
190.06323	0.6
191.03630	0.5
193.05046	1.2
194.05811	0.5
195.06619	55.6
196.06995	1.5
203.03561	0.4
204.04219	0.7
205.05046	2.6
206.05823	0.8
207.06728	0.6
219.06670	1.8
220.07332	1.3
221.08128	0.8
225.07698	1.4
229.40131	0.4
229.42395	0.4
249.71364	0.4
254.05908	0.5
267.06760	0.8
269.08228	0.8
270.08920	0.4
283.06146	0.5
297.07669	0.5
298.08340	0.6
300.99930	0.5
311.06107	0.4
311.23361	0.4
313.10782	2.0
315.08533	0.5
328.09604	0.5
329.10147	0.7
339.08871	0.7
343.11865	13.4
344.12054	0.8
357.13742	0.8
371.11627	0.6
372.12241	0.8
373.13049	5.9
387.10611	1.6
387.14920	3.8
391.13736	2.7
402.13251	1.6
403.14093	2.2
417.15549	13.0
418.15796	0.7
421.14990	1.2
471.16556	0.6
535.17010	1.5
550.18201	0.6
551.18811	0.5
565.20715	13.2
566.21033	1.2
577.20642	0.6
583.21710	1.0
595.21820	7.5
596.22461	0.6
599.21057	0.7
613.22827	6.8
614.22357	0.6
713.26019	1.0
724.46503	0.5
743.26648	0.7
761.28168	4.7
762.28510	0.5
791.29175	2.2
809.30725	2.5
815.29596	0.5
909.33612	3.1
910.34528	0.5
921.33771	0.7
939.34082	3.0
957.35138	2.0
969.36145	0.7
987.36707	0.8
1005.36774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
73.50531	0.3
81.03430	0.5
86.77892	0.3
90.75691	0.4
93.03455	6.0
94.33958	0.4
95.01390	1.0
95.05031	0.6
105.03432	0.7
107.05000	0.5
108.02162	0.9
109.02962	2.2
121.02958	7.7
122.03743	18.1
123.00882	1.2
123.04514	1.5
124.01628	0.6
125.02422	0.5
132.02190	0.7
133.02972	1.9
134.03749	1.3
135.04533	1.3
136.01653	7.6
137.02444	5.2
137.06122	0.3
138.03239	1.7
139.00342	0.8
139.04015	0.8
139.15703	0.4
145.02962	1.3
146.03749	2.2
147.04530	0.8
148.01711	0.7
149.02438	30.5
149.06041	1.0
150.03224	100.0
151.00380	4.1
151.04024	9.6
152.01155	0.6
152.04823	0.8
153.01871	0.7
153.05530	0.5
161.02466	1.1
161.06073	1.0
162.03258	2.4
163.04016	0.9
164.04784	6.8
165.01959	2.9
165.05565	89.1
166.01300	0.7
166.02710	11.3
166.05879	1.2
167.03459	1.5
169.01485	0.8
175.03972	2.6
176.04784	0.5
177.01920	1.0
177.05583	2.7
178.06044	0.4
179.03506	1.8
179.07112	4.8
180.04303	7.3
181.05063	14.5
182.05318	0.5
184.03876	0.5
187.04056	1.0
188.04846	0.5
190.02655	0.4
190.06323	0.6
191.03630	0.5
193.05046	1.2
194.05811	0.5
195.06619	55.6
196.06995	1.5
203.03561	0.4
204.04219	0.7
205.05046	2.6
206.05823	0.8
207.06728	0.6
219.06670	1.8
220.07332	1.3
221.08128	0.8
225.07698	1.4
229.40131	0.4
229.42395	0.4
249.71364	0.4
254.05908	0.5
267.06760	0.8
269.08228	0.8
270.08920	0.4
283.06146	0.5
297.07669	0.5
298.08340	0.6
300.99930	0.5
311.06107	0.4
311.23361	0.4
313.10782	2.0
315.08533	0.5
328.09604	0.5
329.10147	0.7
339.08871	0.7
343.11865	13.4
344.12054	0.8
357.13742	0.8
371.11627	0.6
372.12241	0.8
373.13049	5.9
387.10611	1.6
387.14920	3.8
391.13736	2.7
402.13251	1.6
403.14093	2.2
417.15549	13.0
418.15796	0.7
421.14990	1.2
471.16556	0.6
535.17010	1.5
550.18201	0.6
551.18811	0.5
565.20715	13.2
566.21033	1.2
577.20642	0.6
583.21710	1.0
595.21820	7.5
596.22461	0.6
599.21057	0.7
613.22827	6.8
614.22357	0.6
713.26019	1.0
724.46503	0.5
743.26648	0.7
761.28168	4.7
762.28510	0.5
791.29175	2.2
809.30725	2.5
815.29596	0.5
909.33612	3.1
910.34528	0.5
921.33771	0.7
939.34082	3.0
957.35138	2.0
969.36145	0.7
987.36707	0.8
1005.36774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.4
80.67461	0.4
93.03452	6.2
95.01402	0.9
95.05052	0.4
102.29185	0.3
105.03471	1.1
108.02174	1.5
109.02946	2.8
121.02955	8.3
122.03740	17.7
123.00905	1.4
123.04549	1.4
124.01657	1.1
125.02451	1.0
132.02147	0.7
133.02911	2.8
134.03726	2.7
135.02982	0.4
135.04506	1.1
136.01656	8.1
137.02449	9.0
138.03223	1.5
139.03984	0.5
145.02975	2.0
146.03761	1.9
147.04536	1.7
149.02438	34.9
149.06076	1.8
150.03224	100.0
151.00400	4.5
151.04025	14.7
152.01094	0.7
152.04771	1.8
153.01933	1.0
153.05544	1.0
159.04547	0.7
161.02434	1.8
161.06070	0.7
162.03224	2.7
163.03932	0.8
164.04785	7.4
165.01941	2.6
165.05563	85.6
166.02707	13.3
166.05811	2.0
166.29588	0.4
167.03424	1.5
169.01418	0.5
173.02286	0.5
175.04005	2.8
176.01088	0.5
176.04762	0.5
177.01898	1.1
177.05577	4.6
178.02736	0.4
179.03458	1.7
179.07114	5.6
180.04276	6.7
181.05069	15.0
184.03784	0.7
187.03993	1.7
188.04720	0.7
190.02727	0.5
190.06310	0.7
191.03531	1.2
192.04282	0.9
193.05034	1.5
194.05824	0.9
195.06615	47.4
196.06944	0.9
201.05475	0.5
202.06276	0.6
204.04323	0.8
205.05029	3.8
206.05858	0.8
207.06609	1.1
219.06581	1.8
220.07381	2.6
221.11772	0.5
225.07614	1.1
235.06061	0.4
266.05585	0.4
267.06555	1.0
269.08063	0.8
270.08813	0.8
282.05582	0.5
298.08282	1.0
300.99728	0.7
313.10736	2.3
315.08823	0.6
325.06912	0.4
329.10379	0.9
339.08771	0.5
341.09995	0.5
343.11813	14.8
344.12265	1.3
367.16818	0.4
371.11584	0.6
372.11905	1.2
372.16821	0.4
373.12930	7.9
374.13446	0.6
387.10495	1.3
387.14822	3.8
388.11340	0.8
391.13947	4.1
392.08359	0.5
399.14594	0.6
402.13348	1.9
403.13876	1.2
416.14612	1.0
417.15579	11.7
418.16122	0.9
421.14926	0.7
471.16571	0.5
535.16528	1.3
550.18329	1.4
551.18842	1.5
564.19568	1.1
565.20728	28.8
566.21161	2.0
577.20953	0.9
583.21582	1.1
595.21790	14.3
596.21851	1.1
599.20660	0.6
613.22949	8.4
614.23395	0.9
619.21436	1.3
667.23425	0.7
713.26056	5.9
714.26031	0.9
718.26007	0.5
725.25842	0.7
743.26721	4.1
744.26276	0.6
761.27997	4.1
762.28571	0.6
773.27625	0.6
791.29645	2.4
809.30261	2.8
848.35999	0.5
909.32593	1.1
910.31976	0.7
939.33704	2.4
951.34094	0.6
957.34717	1.1
969.34601	0.8
987.17438	0.6
987.35101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.658
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69289	0.2
71.01440	0.2
71.05009	0.8
78.95901	5.5
89.86968	0.2
98.61981	0.2
105.19021	0.2
107.01407	0.4
125.02451	1.1
152.99564	0.8
168.04343	0.6
169.01413	1.6
224.06990	2.0
242.08055	0.5
277.21707	17.4
278.22003	2.1
279.22330	0.3
300.99869	0.7
377.28345	0.5
378.28922	0.2
389.28427	0.6
391.03027	0.3
391.53430	0.2
393.31757	0.5
403.30325	0.3
405.31668	0.4
406.28421	0.3
407.29330	0.5
408.29715	0.3
421.31213	0.3
423.32770	1.9
424.33234	0.3
425.34799	1.2
438.31070	0.2
441.33826	0.6
443.35480	0.2
455.31744	0.2
457.33194	0.7
467.31506	1.6
468.32089	2.1
469.33148	7.2
470.33591	0.6
485.32693	7.8
486.33069	12.1
487.34232	100.0
488.34622	7.9
501.32162	0.2
502.29364	36.2
503.29712	5.9
504.29861	1.6
513.32294	0.5
515.33868	0.2
516.34320	0.3
517.31610	0.5
518.31329	0.2
564.77570	0.2
745.24976	0.5
745.76318	0.6
945.58899	0.6
1004.66144	2.4
1005.66553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.6514
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05008	1.0
71.53470	0.2
73.02942	0.6
75.58923	0.2
78.72185	0.2
83.05006	0.5
83.96829	0.2
85.86761	0.2
96.96007	0.2
111.04507	0.2
137.02448	0.3
150.36319	0.2
219.75085	0.2
291.21622	0.2
300.99881	0.4
363.27133	0.3
367.26523	0.3
369.25885	0.2
377.28299	0.5
379.30240	0.4
387.26764	1.0
389.24628	0.3
391.30029	0.6
393.31812	1.4
395.29834	0.3
401.28564	1.7
403.30118	1.3
405.28137	0.5
407.29507	0.6
409.31165	1.9
417.27847	0.9
419.29465	1.2
421.31088	6.9
422.31430	0.6
423.28735	0.5
425.30618	0.8
435.28909	0.6
437.30603	2.0
439.32144	2.9
441.34256	1.1
453.30106	1.5
455.31744	3.5
456.31973	0.3
457.33313	1.6
465.30008	0.3
471.31165	2.6
473.32956	0.5
483.31210	1.1
484.32260	0.3
485.32840	2.8
486.33136	0.3
487.29916	0.3
487.34793	0.6
488.30615	0.3
489.31613	0.3
499.30704	0.6
500.30893	0.3
501.32199	100.0
502.32529	8.8
503.34064	1.7
517.31683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.69
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05014	1.8
75.44147	0.5
77.65954	0.4
78.95901	0.9
96.95998	1.3
98.20735	0.8
116.92877	0.5
125.02425	1.0
132.02029	0.4
169.01411	1.2
179.01131	0.4
265.56772	0.5
275.02029	0.6
277.21713	1.2
278.22079	0.5
301.00012	1.0
352.10406	0.5
377.28491	1.7
391.30124	0.6
393.31842	3.1
405.31668	0.7
407.29834	0.8
421.31238	0.8
423.32721	2.6
425.30734	1.6
437.30545	1.6
439.32071	1.4
441.33951	1.0
455.31564	1.2
457.33118	0.5
467.31638	9.7
468.31842	1.3
469.33591	0.5
471.34930	0.9
485.32715	100.0
486.33029	13.1
487.34091	2.6
502.29367	2.3
503.29410	2.0
517.35419	39.9
518.35583	2.6
523.54846	0.5
618.78406	0.5
1003.64130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.6488
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	0.4
71.05027	1.6
71.53306	0.6
83.05029	2.7
105.96491	0.4
109.06582	0.9
134.66496	0.5
169.01425	0.8
186.62741	0.5
203.51469	0.5
233.84116	0.4
275.02023	0.6
300.99820	1.4
339.27103	0.6
355.26282	0.5
357.27985	1.8
375.30838	0.6
391.30099	0.6
405.31711	0.9
407.29657	1.5
409.31027	1.0
413.30917	0.8
419.29895	0.7
421.31271	1.1
423.32700	1.7
437.30484	3.4
438.31024	0.8
439.32217	1.0
441.33600	0.7
448.55124	0.5
453.30060	1.2
455.31900	3.0
457.33582	0.6
467.31631	10.6
468.32257	1.1
471.31320	0.8
473.32513	2.8
483.31143	1.9
485.32709	100.0
486.33105	11.0
487.33917	3.4
499.30658	7.4
500.31168	1.1
501.32205	12.8
502.32584	1.4
503.34161	1.2
515.29681	3.0
516.30109	1.5
517.31311	13.7
518.31885	1.6
746.13000	0.5
1003.64630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5395
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84585	12.2
71.01366	9.2
72.13252	5.7
75.74510	5.5
88.98828	7.6
89.02421	13.3
113.02415	5.6
116.92838	9.6
125.02439	5.9
185.50337	5.6
197.11761	16.6
225.14990	6.2
277.21756	44.3
288.45630	5.8
291.19540	12.4
309.20642	100.0
362.61447	6.0
379.12405	8.1
397.13565	67.9
415.14450	17.7
617.78345	6.4
675.35583	9.1
689.33905	7.4
814.11469	8.4
1003.53839	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.6365
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	11.1
71.05019	10.7
73.02949	5.7
85.02952	5.3
86.73507	0.8
89.02442	15.0
90.02793	0.7
93.73700	0.8
95.01376	1.9
97.06571	0.9
99.00879	24.4
101.02426	4.2
101.06122	0.9
113.02454	11.3
119.03516	2.2
125.02449	0.9
131.03513	3.7
149.03381	0.9
149.04550	16.4
161.04501	5.3
167.00110	0.7
191.05617	12.1
209.11819	0.8
231.02888	0.8
233.06590	5.7
247.02257	1.2
293.08777	1.9
300.99927	4.2
337.25424	1.2
353.28510	1.0
355.26385	1.4
369.27988	1.3
371.29495	6.2
376.57233	0.8
407.29733	1.2
408.29785	0.9
409.31125	1.3
415.28180	4.1
419.29208	1.1
425.30075	1.5
437.30484	4.3
439.32324	1.4
441.33771	1.1
443.35300	33.8
444.35498	3.0
453.30124	1.3
455.31799	2.0
457.33215	20.5
458.33456	2.5
467.31564	3.4
471.30844	1.4
473.32877	2.9
481.29117	1.1
483.30936	1.7
485.32718	29.8
486.33005	6.3
487.34265	100.0
488.34763	8.8
499.30701	16.1
500.31055	1.3
501.32346	9.5
515.28595	61.9
516.29108	7.3
517.31482	8.9
1024.77930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6433
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05021	2.6
71.53139	0.2
78.95900	4.8
83.05042	0.2
93.86804	0.2
100.17367	0.2
123.00905	0.2
125.02439	0.2
129.58603	0.2
152.99568	0.8
168.04303	0.6
169.01395	0.4
224.06885	1.8
242.07974	0.5
277.21710	17.1
278.22086	0.5
280.15186	0.2
300.99802	0.4
339.26865	0.5
357.25983	0.4
369.27753	0.2
377.28339	1.2
391.30182	0.4
393.31644	0.9
403.29990	0.2
405.31516	0.6
406.28830	0.2
407.29468	0.3
407.74197	0.2
409.31207	0.5
421.31241	0.8
423.32809	1.0
425.30566	1.7
437.30716	1.4
439.32123	0.2
441.33929	1.0
453.30145	0.2
455.31647	0.3
467.31628	14.3
468.31921	1.3
485.32693	100.0
486.33087	8.9
502.29379	34.3
503.29675	2.8
515.33539	0.3
517.31836	0.3
535.24713	0.2
603.69537	0.2
943.56610	0.5
1002.64520	1.3
1003.65009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.621
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17695	0.6
71.01382	8.8
71.05022	12.1
73.02943	4.2
79.98189	0.6
83.01364	0.8
83.05028	0.9
85.02954	5.4
85.06610	0.6
89.02444	1.8
96.96005	0.6
97.06563	1.1
98.19879	1.2
99.00916	1.8
101.02446	5.5
111.00842	1.0
113.02445	3.5
118.58298	0.6
125.02463	0.8
131.03508	0.7
159.03012	0.7
161.04565	2.2
161.49222	0.6
205.15976	5.7
208.08630	0.7
237.16533	0.7
300.99857	2.1
305.21204	2.0
321.22263	2.5
323.23627	0.9
325.21704	1.1
337.25320	2.9
339.27029	1.9
349.44232	0.7
351.26993	1.4
355.26392	1.9
357.24298	1.0
367.26294	1.3
369.28116	1.7
379.29965	3.2
383.24609	1.8
391.26251	1.5
393.27692	1.1
397.31104	1.6
399.25201	0.9
401.26578	0.9
407.29669	3.3
409.31012	2.5
411.25119	1.1
419.29599	0.6
421.27267	1.9
421.31830	1.1
423.32733	25.0
424.33121	1.5
425.30597	1.0
437.30634	4.9
439.32205	18.2
440.32501	1.7
441.33749	62.6
442.34122	4.6
453.30136	1.9
455.31619	17.5
456.32214	1.4
469.29797	1.2
471.31253	1.6
473.32687	100.0
474.33066	8.9
475.32968	0.7
482.22525	0.6
483.31223	5.9
484.31409	1.0
485.32693	31.9
486.32864	3.8
487.34036	2.5
499.30490	1.1
501.32281	1.2
503.33807	1.8
515.28644	57.6
516.28912	4.2
517.31763	1.1
858.83246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
75.93665	40.7
88.35488	41.6
90.63445	38.7
98.19874	100.0
107.35772	39.9
229.09012	63.2
523.05859	43.8
718.97845	55.3
738.54346	50.9
770.08362	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	997.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.0
69.07068	3.6
69.47526	3.7
69.47932	2.2
71.04990	1.2
79.05500	13.6
81.03423	7.0
81.06601	1.2
81.07059	14.2
83.04992	2.9
83.08623	3.1
85.02905	1.6
91.05487	10.9
93.03424	1.2
93.07047	12.0
95.04963	3.3
95.08614	11.0
97.02890	2.4
97.06524	1.6
97.10149	1.2
98.20768	1.7
105.07038	7.6
107.04951	2.7
107.08592	6.4
109.02909	1.0
109.10146	3.8
111.04437	6.0
111.08063	1.0
117.07014	2.4
119.04931	1.0
119.08572	4.7
121.02901	2.2
121.06523	1.9
121.10142	7.7
123.04414	7.5
127.03949	1.3
129.06969	2.1
131.04921	1.8
131.08574	3.8
133.06537	1.7
133.10141	3.3
135.04422	6.1
135.07932	1.1
135.11714	2.5
139.03909	100.0
140.04185	1.2
143.08577	1.0
145.10112	2.5
145.87402	1.0
147.04443	2.0
147.11694	2.6
149.05992	5.0
149.09637	2.1
149.13278	1.4
151.03902	11.7
157.10045	1.1
159.04475	1.3
159.11749	1.8
161.06006	2.3
161.13336	1.0
163.03914	35.7
163.07535	1.5
165.05481	1.8
173.05989	2.3
173.13245	1.8
175.03992	1.5
175.11211	1.2
177.05481	8.3
181.04965	9.2
187.03949	2.6
187.07494	1.1
189.05446	1.4
191.07011	1.7
193.12291	3.3
199.07591	1.4
201.05495	2.7
205.04965	15.8
211.13329	2.3
213.05492	1.2
215.07138	1.6
217.04945	2.1
227.06857	1.2
229.04970	2.6
235.06029	4.5
239.06985	1.1
241.04977	19.7
242.05667	1.2
243.06596	1.1
243.13866	3.9
247.06015	3.2
253.04887	1.3
255.06424	1.2
261.22208	2.5
265.07135	2.7
267.06680	2.1
269.04312	1.7
270.05243	4.3
271.06064	7.2
273.07590	1.4
273.14612	1.0
279.06387	1.2
283.08273	8.3
289.14542	0.9
295.06158	0.9
297.07507	1.5
301.05984	1.7
301.09213	22.3
309.14841	0.9
323.09241	1.4
333.16959	3.4
335.25812	34.0
336.25916	0.9
421.16586	4.9
435.18085	1.0
447.18271	2.3
463.17471	7.9
465.19138	54.9
466.19308	1.6
467.20563	1.0
477.19424	1.6
481.18433	3.5
483.20172	1.9
489.19177	3.3
503.20761	1.6
521.21814	8.2
531.20013	3.4
537.20837	1.3
539.22729	20.9
555.21436	3.6
563.22534	1.7
605.23547	1.2
667.41815	1.5
691.41791	1.1
725.40033	1.4
799.44031	13.2
817.45276	20.8
818.45581	1.6
841.44629	1.7
883.45239	1.2
925.47229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.7
69.07069	1.3
71.01350	0.5
77.03987	0.3
79.05495	5.8
81.03449	0.8
81.07063	6.0
83.04974	1.7
83.08611	1.2
85.02901	1.3
91.05485	3.8
93.03410	1.6
93.07053	5.0
93.70139	0.3
95.04974	1.3
95.08612	4.8
97.02895	1.0
97.06523	0.4
97.10154	0.7
103.05447	0.8
105.07056	2.0
107.04960	1.2
107.08602	2.3
109.02899	0.8
109.06494	0.4
109.10178	1.5
111.00847	0.4
111.04455	5.6
115.05466	1.4
117.07024	1.3
119.04922	0.5
119.08619	1.7
121.02890	1.1
121.06477	0.8
121.10150	2.2
123.04429	4.0
123.11704	0.7
127.03905	1.9
128.06227	0.3
129.07030	0.8
131.04913	0.7
131.08566	1.3
133.06441	0.4
133.10149	1.4
135.04420	3.0
135.11714	1.4
137.06001	0.6
139.03909	100.0
140.04283	1.0
141.05498	0.7
141.06992	1.0
145.06496	1.0
145.10153	0.6
147.04425	1.2
147.11681	0.8
149.06020	3.0
149.09630	0.5
149.13272	0.6
151.03902	8.0
153.01822	0.9
153.05467	1.3
153.06953	1.0
157.06482	1.3
157.10150	0.6
159.04434	0.7
159.08083	0.4
159.11688	0.7
161.05983	4.7
161.13341	0.4
163.03912	24.5
165.05495	1.5
165.06895	0.7
167.08620	0.7
169.06418	0.7
169.09930	0.3
171.08067	0.6
173.06004	8.5
175.03923	1.0
175.07504	1.8
176.04803	0.4
177.05476	6.2
177.06931	0.7
179.03412	1.6
181.04971	7.0
181.06528	2.4
183.08008	0.7
185.06010	1.4
187.03928	1.4
187.07558	5.1
189.05528	2.5
189.09128	0.4
191.03444	0.4
191.07045	0.7
193.04971	0.9
195.06552	0.5
195.08165	1.1
197.06000	1.5
198.06670	0.4
199.07536	3.8
200.04692	0.8
201.05463	2.7
201.09142	1.7
203.03424	0.4
203.07072	0.8
205.04974	13.2
207.08147	0.4
209.09663	0.4
211.07593	2.4
213.05505	1.4
213.09036	2.2
215.07060	1.3
217.04990	1.6
219.06487	0.5
223.07585	0.9
225.09131	1.5
227.07051	1.5
229.05035	2.2
235.05928	2.8
237.09042	0.7
239.07155	0.4
239.10876	0.5
241.04965	0.8
243.21165	0.6
247.05928	2.7
251.07098	0.5
251.14342	0.6
253.12305	0.5
259.20483	0.7
261.22107	1.3
265.06924	1.9
267.13803	0.6
269.15372	0.7
273.15091	0.4
279.13992	0.7
281.15353	0.5
283.08212	6.8
287.16638	0.4
289.08618	0.4
295.06116	1.2
297.14990	0.8
299.16455	0.7
301.09183	9.6
303.06604	0.5
308.06842	1.3
309.07776	0.8
309.14896	0.5
311.16437	0.7
313.07080	2.0
313.14261	0.7
315.15915	4.3
321.07513	0.5
321.14877	0.6
323.08936	0.6
325.14386	1.0
327.16025	3.6
335.09274	0.8
335.25818	12.7
339.15948	3.7
341.17380	0.4
357.16681	0.7
359.18475	0.5
389.19409	2.1
401.19580	1.1
413.19525	0.7
419.19376	0.4
421.16574	2.4
429.16858	0.4
431.20395	0.4
447.18097	4.3
465.19058	4.5
489.19156	0.6
495.19833	0.5
521.22119	0.9
539.22723	2.2
649.41791	1.8
661.40887	0.9
673.40839	0.6
679.41748	0.4
691.40955	0.6
773.42029	0.7
799.44055	2.9
817.44910	1.9
823.44519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.5
69.07065	1.5
69.55212	2.4
69.55630	1.0
75.10949	0.4
79.05498	7.2
81.03427	0.7
81.07066	8.5
83.04976	1.9
83.08620	1.3
83.76138	0.4
85.02911	1.6
91.05479	5.1
93.03422	1.3
93.07045	5.9
95.04962	1.8
95.08614	6.5
97.02907	1.6
97.06560	0.6
98.21473	1.0
100.14782	0.4
103.05475	0.5
105.07042	3.3
107.04955	1.2
107.08609	3.3
109.02856	0.5
109.06503	1.0
109.10168	3.8
111.04445	6.3
112.60222	0.4
115.05456	1.0
117.07022	0.9
117.91772	0.4
119.08591	3.2
121.02876	1.7
121.06505	1.0
121.10143	2.9
122.59303	0.4
123.04440	4.4
123.11723	0.4
125.09611	0.7
127.03937	0.6
127.19553	0.5
129.07036	0.8
131.04897	1.0
131.08559	1.7
133.06528	0.8
133.10126	2.2
135.04445	2.5
135.11691	1.4
137.05983	0.7
139.03911	100.0
140.04250	1.2
141.05455	0.7
141.06953	0.7
143.08578	0.9
145.06473	1.2
145.10092	1.6
147.04431	1.1
147.11678	0.9
149.02382	0.5
149.05998	2.0
149.13264	1.0
151.03906	8.8
152.06244	0.4
153.05536	1.0
153.06996	0.7
155.08572	0.8
157.06528	1.1
157.10129	1.0
159.04428	0.6
159.08107	0.5
159.11702	1.0
161.05995	4.7
163.03922	26.7
164.04222	0.6
165.05493	1.7
165.06845	0.5
167.08485	0.5
169.06378	0.7
169.10152	0.6
170.92180	0.5
171.11766	0.6
173.06006	7.3
173.13231	0.9
175.03935	1.2
175.07536	1.1
177.05489	6.2
179.03412	2.0
181.04994	6.5
181.06503	1.3
183.08055	0.9
185.05988	1.0
185.84163	0.4
187.03928	1.5
187.07544	4.6
187.14793	0.5
189.05544	2.3
191.03465	0.6
191.07079	0.7
193.04922	0.8
195.06511	0.4
195.08090	0.7
197.06053	1.8
199.07539	3.6
201.05437	3.1
201.09114	1.4
201.16351	0.6
205.04994	13.6
207.08208	0.5
209.09668	0.5
211.07535	1.9
213.05592	1.3
213.09145	2.2
215.07076	1.1
217.04977	1.1
219.06444	0.7
223.07562	1.1
225.09062	0.6
227.07112	1.3
229.04996	2.0
235.05992	2.8
241.04971	1.0
247.05916	2.6
248.06799	0.4
249.09215	0.6
259.20673	0.8
261.09140	0.6
261.22354	1.2
265.06876	2.3
267.13904	0.6
269.15384	0.5
271.06049	0.7
281.15350	0.6
283.05698	0.6
283.08276	7.0
295.06006	1.5
297.15060	0.8
299.16357	0.8
301.09204	10.5
302.09677	0.5
308.06778	1.0
309.07617	0.7
313.07086	2.2
315.15857	3.7
321.07535	0.5
325.14206	1.1
327.15976	2.0
333.07639	0.5
335.16815	0.5
335.25821	15.7
339.16013	2.4
359.18527	0.9
389.19583	1.7
399.18155	0.6
399.25217	0.7
401.19568	0.8
413.19296	0.6
421.16458	2.4
447.17987	3.9
447.23560	0.8
463.17786	0.6
465.18994	5.0
489.18954	0.7
507.25757	1.2
521.21405	1.1
525.26727	1.7
539.23096	2.9
557.23651	0.6
649.40955	1.5
661.41760	1.0
673.40894	0.7
677.40997	0.6
679.41650	0.9
691.41791	0.7
773.42041	1.7
799.44965	3.8
817.45618	3.4
835.43988	0.7
865.59351	0.5
935.61475	0.9
953.63342	0.9
997.63062	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	2.4
69.07081	0.9
69.56941	1.0
69.57343	0.6
71.01366	0.4
71.05012	0.5
73.02908	2.7
77.89059	0.2
79.05485	2.0
81.03413	1.2
81.07060	2.6
83.08611	0.4
85.02911	4.8
85.03381	0.4
91.03963	2.9
91.05491	1.6
92.75966	0.3
93.07040	2.9
95.04950	0.4
95.08614	2.3
97.02893	4.6
97.06509	0.3
98.21520	0.3
99.04478	0.8
101.02390	1.4
105.04541	0.2
105.07057	1.2
107.08609	1.3
109.02892	0.8
109.10197	0.8
112.82620	0.3
115.03970	0.6
117.07040	0.4
119.08666	0.7
121.10181	0.9
127.03896	1.3
133.10172	0.5
135.11732	0.7
145.05019	0.3
145.10144	0.5
147.11839	0.4
154.05550	0.3
155.42216	0.3
181.43890	0.3
185.04216	0.6
203.05365	0.5
243.08470	1.9
258.86417	0.3
259.08011	0.5
333.20245	1.7
335.25739	0.4
347.09363	1.9
365.10779	1.1
405.13742	5.6
417.60916	0.3
439.19437	0.4
440.95731	0.3
453.20935	0.4
519.29413	5.0
551.28375	2.9
681.34479	6.3
681.44916	0.4
713.33282	2.2
829.50568	1.1
831.76788	0.3
864.72528	0.3
893.49298	0.5
991.56061	100.0
992.56329	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	997.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	0.8
69.07079	1.8
71.01345	0.3
71.04981	0.5
77.03956	0.5
79.05499	6.4
81.03424	0.9
81.07060	6.7
83.04975	1.2
83.08620	1.1
85.02913	0.7
91.05476	4.0
93.03403	1.9
93.07046	5.6
95.04963	1.1
95.08607	4.5
97.02896	0.9
97.06537	0.5
97.10178	0.9
98.21513	1.2
103.05459	0.5
105.07040	2.6
107.04977	1.1
107.08617	2.7
107.38903	0.4
109.02898	0.5
109.06534	0.6
109.10169	2.6
111.04450	6.0
115.05473	0.8
117.07025	1.5
119.08607	1.9
121.02860	1.2
121.06490	0.5
121.10159	2.9
123.04449	3.7
123.08123	0.4
123.11729	0.6
127.03896	1.2
128.06244	0.5
129.07077	0.7
131.04947	0.6
131.08580	1.3
133.06499	0.5
133.10173	2.0
135.04459	2.5
135.11719	1.4
137.05965	0.8
139.03912	100.0
140.04254	1.1
141.05528	0.9
141.06973	0.8
145.06517	1.1
145.10117	1.1
147.04471	0.7
147.08058	0.4
147.11674	1.2
149.05954	2.3
149.13226	1.2
151.03925	7.8
153.05563	0.7
153.06995	0.8
155.08546	0.5
157.06538	0.9
157.10237	0.4
159.04437	0.7
159.08049	0.4
159.11699	0.9
161.06007	4.0
161.13220	0.8
163.03914	26.4
163.07535	0.6
165.05519	1.6
165.06888	0.4
167.07101	0.4
167.08487	0.6
169.06531	0.5
171.08022	0.5
173.05991	7.6
173.13283	0.9
175.07611	1.0
175.11342	0.6
177.05496	4.8
179.03423	1.5
181.04990	5.4
181.06526	0.9
181.10185	0.4
183.08073	0.7
185.05997	1.0
187.03909	1.6
187.07533	4.3
189.05495	2.4
191.03445	0.4
191.07089	1.0
193.04936	0.8
193.06491	0.5
195.08060	0.9
197.06024	0.9
199.07570	2.9
199.14778	0.4
201.05522	2.1
201.09111	1.5
205.04974	10.2
209.09814	0.4
210.06787	0.4
211.07550	2.6
213.05495	2.2
213.08992	1.6
215.07001	1.0
217.05028	1.0
223.07637	1.0
224.08476	0.3
225.09122	0.7
227.07083	1.4
229.05046	1.6
235.05959	2.5
237.09122	0.9
239.07137	0.5
241.05008	0.6
247.05927	1.8
251.07191	0.4
251.10510	0.4
253.12350	0.3
259.20602	0.5
261.22253	1.2
265.07111	1.4
265.12192	0.4
283.08209	4.2
287.16498	0.6
295.06033	1.6
297.14905	0.6
299.16403	0.6
301.09174	7.9
308.06696	0.6
309.07498	1.0
309.14764	0.6
313.07138	1.2
315.15909	3.5
317.08017	0.4
321.07626	1.0
325.14417	1.0
327.15927	3.3
333.24155	0.5
335.09201	0.5
335.25815	14.7
339.15933	2.4
341.17648	0.4
359.18723	0.7
371.18661	0.4
379.19235	0.4
389.19559	1.9
399.25385	0.6
401.19553	1.0
413.19659	1.0
419.20581	0.4
421.16425	2.0
445.16669	0.4
447.17978	3.4
463.17520	0.5
465.18945	3.5
513.19305	0.5
521.21924	0.9
539.23022	2.1
557.23407	0.6
573.21075	0.4
623.12390	0.4
649.41278	1.8
661.40948	1.0
673.40881	1.2
677.40314	0.8
679.42053	0.9
691.41840	0.9
773.42249	0.6
799.43927	2.8
817.45618	2.5
999.47577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	6.3
69.06738	1.4
69.07072	19.6
69.27795	2.1
69.28210	6.2
71.01343	1.3
71.04975	3.8
73.02918	1.9
79.05495	55.1
81.03423	9.8
81.07058	73.8
83.04975	8.3
83.08624	11.5
85.02906	10.4
85.06546	4.8
91.03955	2.6
91.05483	48.2
93.07044	62.8
95.04969	7.3
95.08610	49.6
97.02900	9.5
97.06522	9.1
97.10178	7.3
98.20760	1.2
99.04454	1.7
99.08097	2.9
101.03936	1.0
103.05457	1.0
105.04531	1.9
105.07036	33.0
107.04937	4.4
107.08596	36.8
109.02866	1.9
109.06515	6.8
109.10154	21.7
111.08078	4.7
113.09637	1.8
115.05446	1.4
117.07018	17.7
119.08590	24.4
121.06518	3.0
121.10146	27.0
122.89454	0.9
123.08100	4.7
123.11717	7.0
125.09617	3.7
127.03922	3.9
128.06197	1.6
129.05479	1.2
129.07001	6.3
130.07802	1.3
131.08566	24.1
133.06488	1.9
133.10139	19.9
135.08052	4.3
135.11688	15.6
137.09592	2.5
137.13275	1.7
139.11191	1.1
141.06956	2.4
142.07762	1.0
143.08539	5.1
145.04950	2.3
145.10141	18.3
147.08000	1.1
147.11688	13.8
149.09631	6.5
149.13269	12.8
151.11148	1.7
151.14848	1.0
155.08543	3.3
157.10126	4.7
159.08118	1.0
159.11703	13.7
160.11964	1.1
161.09608	1.7
161.13286	5.8
163.06036	1.2
163.11163	3.6
163.14819	2.7
165.12772	2.0
169.10135	3.1
171.11714	4.1
173.04434	2.0
173.11858	1.2
173.13231	8.2
175.11159	1.8
175.14807	2.5
177.12729	3.1
177.16444	1.5
179.14304	0.9
181.10130	1.1
181.12225	1.2
183.11690	3.7
185.13263	4.5
187.14839	2.7
189.12717	1.9
189.16394	1.4
195.11977	0.9
195.13797	3.0
197.13263	2.7
199.14841	2.5
201.16527	1.4
203.14421	1.5
205.15843	1.4
209.13188	1.0
213.14738	1.1
217.15877	2.8
219.17378	1.8
227.12784	4.0
229.14311	5.0
229.19492	2.1
235.17020	1.6
239.17896	2.5
241.19579	1.7
243.21030	4.1
247.20532	1.6
255.15883	5.1
257.19028	9.7
259.20554	2.1
261.22131	11.3
267.15811	2.2
269.17465	23.5
275.20074	25.3
276.20248	1.2
277.21860	1.4
283.18869	1.3
291.19574	2.4
293.21121	2.0
309.20651	8.8
317.24707	3.3
325.15692	0.9
327.03378	0.9
331.22705	3.0
333.24271	1.7
335.25806	100.0
336.26172	3.7
337.26956	1.4
349.23746	28.8
350.23837	1.3
351.25235	1.6
367.24820	4.0
413.21448	2.7
419.33151	1.3
423.32364	1.1
437.34418	1.5
455.35361	1.2
477.37225	1.1
489.35785	7.1
505.35349	1.5
515.37341	12.9
517.40247	1.1
529.38940	76.9
530.39075	2.4
535.41357	1.1
543.40454	2.7
545.37769	1.2
547.39740	2.0
551.40668	1.4
553.42694	1.5
555.39844	1.2
569.42029	26.4
570.42389	2.3
593.54059	1.0
609.45129	40.2
610.45557	1.9
627.46161	10.8
673.42639	3.1
771.50159	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5889
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	7.7
69.07071	21.8
70.80591	0.5
71.04971	1.7
73.02896	0.8
76.47601	0.5
77.03901	1.0
79.05495	35.8
81.03424	5.0
81.07059	40.8
83.04980	4.1
83.08625	8.9
85.02892	5.0
85.06506	1.5
91.03926	1.8
91.05482	24.0
93.07046	35.6
95.04974	8.5
95.08611	29.4
97.02317	0.6
97.02894	9.6
97.06536	4.0
97.10171	11.1
99.08035	0.6
103.05450	0.9
105.04488	1.6
105.06317	0.9
105.07031	17.4
107.04961	4.8
107.08597	21.1
109.06516	2.9
109.09502	1.0
109.10163	14.3
111.04452	0.8
111.08047	2.4
115.05472	1.2
117.07032	7.3
119.04905	1.1
119.08584	15.4
121.01427	0.7
121.06542	2.8
121.09363	0.8
121.10147	13.0
123.04442	0.5
123.08060	3.9
123.11675	2.5
125.09630	9.5
127.03872	1.5
128.06200	1.3
129.07001	3.1
129.07782	0.6
131.08566	11.4
133.06445	2.4
133.10120	8.1
134.07251	1.1
135.08070	2.6
135.11703	8.2
137.09595	2.1
143.08530	2.3
145.04916	1.1
145.06447	1.0
145.10120	7.3
147.08049	5.0
147.11710	5.0
149.09630	1.8
149.13263	4.8
151.11186	0.7
153.12695	0.8
157.10080	2.5
159.11687	3.3
161.09612	1.9
161.13246	2.3
162.10316	0.6
163.11136	1.8
163.14844	1.4
165.09120	2.0
169.10118	1.1
169.12067	0.6
171.10243	0.6
171.11644	1.5
173.04433	0.7
173.13228	2.8
175.11177	1.6
175.14784	0.7
177.12735	1.7
177.16400	0.8
183.11554	0.8
185.13194	0.6
187.11150	0.5
187.14828	1.3
189.11276	3.3
193.12300	1.1
195.11836	0.6
195.13768	1.3
197.13107	0.6
199.14732	0.6
201.16278	0.7
205.12263	2.6
211.13274	1.0
223.13297	17.3
227.12717	3.6
243.21053	2.1
245.19009	1.0
247.75372	0.6
248.13087	0.5
249.14868	3.9
255.17447	1.1
261.22119	7.3
263.19971	0.7
267.15881	0.9
273.18491	9.5
285.16922	0.7
291.19556	81.5
292.19897	1.8
317.24777	3.1
335.25800	72.3
336.25946	1.5
347.22159	2.3
365.23254	41.7
366.23431	0.9
379.57813	0.6
459.27368	0.9
505.35233	1.1
527.37354	1.4
545.38489	4.3
557.38391	0.7
607.43750	3.1
625.44641	100.0
626.44940	3.5
643.45587	1.1
769.49408	0.7
810.99017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6448
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07086	5.4
71.50248	4.4
79.05511	18.0
81.07063	25.2
83.08592	3.3
85.02885	7.4
90.17133	2.4
91.05479	11.8
93.07067	16.0
95.04979	3.2
95.08624	19.5
97.02872	6.6
105.07014	6.1
107.08588	11.0
109.10163	10.4
119.08584	5.3
121.10149	10.4
123.11713	3.9
131.08560	5.3
133.10147	6.6
135.11707	7.3
143.85190	2.8
145.05009	3.0
145.10114	4.4
147.11667	4.5
149.13229	6.0
159.11598	4.3
161.13295	4.1
163.05962	3.1
180.00082	2.6
193.18779	2.6
259.20544	8.8
261.22137	16.8
275.60690	2.8
333.24173	3.7
335.25830	100.0
336.25870	5.0
337.27332	8.1
422.20361	2.7
533.41888	5.1
595.46997	16.8
596.47437	3.2
613.48322	17.6
682.92212	3.0
802.42236	3.1
1016.65643	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	984.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	9.1
69.07069	23.6
71.04957	2.7
71.50634	0.7
73.02920	0.9
77.03880	0.7
79.05495	39.1
80.06265	0.6
81.03014	0.7
81.03419	7.6
81.07056	42.3
83.04988	4.4
83.08620	11.0
85.02905	5.3
85.06532	1.4
87.04416	0.7
91.03910	1.8
91.05482	26.7
93.07043	37.0
95.01308	0.9
95.04476	0.6
95.04966	7.6
95.08610	27.2
97.02319	0.8
97.02889	11.2
97.06531	4.2
97.09563	0.7
97.10166	12.2
99.08039	1.0
103.05415	1.0
105.03419	0.7
105.04514	1.0
105.07030	20.3
105.77537	0.7
107.04951	6.8
107.07902	1.1
107.08595	20.9
109.02850	1.3
109.06520	2.9
109.10158	15.9
111.08052	2.3
115.05440	1.3
117.07019	9.1
119.04907	1.5
119.08584	16.6
121.06516	3.8
121.10138	13.0
123.08096	3.6
123.11721	3.0
125.09634	9.9
127.03873	1.1
128.06245	1.4
129.07024	3.8
130.07791	1.1
131.07632	0.8
131.08575	12.4
133.06462	2.7
133.10139	9.1
134.07248	1.5
135.08075	4.0
135.11703	7.5
136.48616	0.6
137.09566	2.4
137.13144	0.9
139.11122	0.8
142.07774	1.0
143.08577	3.2
145.04951	0.7
145.10126	10.0
147.08051	5.2
147.11696	5.2
149.09589	2.2
149.13248	4.1
153.09105	1.1
157.10150	3.9
159.11681	5.9
161.09650	3.0
161.13297	2.9
162.10509	0.6
163.06012	0.8
163.11166	2.4
163.14799	1.6
165.09096	1.9
169.10130	1.0
169.12152	0.7
171.10197	0.9
171.11661	1.6
173.09525	1.0
173.13219	2.6
175.11143	2.5
175.14818	0.9
177.12714	2.5
179.10609	0.7
185.13185	0.7
187.14804	1.8
189.09436	0.8
189.11209	3.7
191.14224	0.7
191.34312	0.6
193.12184	1.8
195.13765	1.4
205.12224	1.9
211.13208	1.5
223.11189	1.2
223.13301	20.7
227.12793	4.5
227.17810	0.9
239.55501	0.6
243.21017	2.6
245.19009	2.1
249.14873	3.8
255.17323	1.3
259.20459	0.6
261.22186	9.0
267.15878	2.4
273.18515	12.6
285.16876	0.7
291.19547	100.0
292.19971	1.7
309.20859	0.7
317.24658	3.0
335.25806	67.9
336.26227	1.4
347.22025	1.7
365.23242	64.6
366.23569	0.8
477.28653	1.2
489.03030	0.6
527.36969	0.8
533.39758	0.7
545.38379	6.0
551.41498	1.4
607.43555	3.7
625.44611	82.2
626.44653	4.1
643.46130	1.4
687.57910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.544
Annotation	Unknow
Peak:m/z	Relative Intensity
74.37006	1.1
93.61113	1.0
98.64961	1.1
113.45241	1.0
138.16106	1.1
221.71828	1.3
282.02475	1.1
312.32764	4.6
313.33075	1.4
327.07883	1.2
345.17245	1.3
360.17819	1.2
540.01233	1.4
975.54419	100.0
976.54980	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	970.613
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05846	1.2
69.03444	3.8
69.07069	15.8
71.05002	2.8
71.08662	1.8
71.50523	2.1
73.02920	3.7
79.05502	46.0
81.03429	4.7
81.07064	58.6
83.05009	3.1
83.08630	9.0
85.02917	13.2
85.06576	3.7
87.04514	1.5
91.03969	5.1
91.05489	39.3
93.07054	54.5
93.07648	2.6
94.46238	1.4
95.04980	5.6
95.08615	53.7
97.02908	8.6
97.06545	3.8
97.10207	3.8
99.08107	4.2
103.05466	1.8
105.04542	3.0
105.07039	35.9
107.08607	34.6
109.06567	2.7
109.10162	21.3
111.08101	2.9
117.07047	11.2
119.08591	26.4
119.09367	1.9
121.10155	27.1
123.08132	2.5
123.11705	7.0
125.09629	2.3
127.03985	3.7
128.06197	1.5
129.07045	4.6
131.08589	16.4
133.10138	20.4
135.11714	20.7
137.09656	3.2
137.13319	1.6
139.11212	2.0
143.08598	5.5
145.05048	3.8
145.10143	16.9
147.11717	17.0
149.09705	1.4
149.13286	10.0
151.11177	1.8
157.10165	6.4
159.11734	12.6
161.13266	11.8
163.06070	2.3
163.14915	3.6
171.11783	4.5
173.13258	7.1
175.14888	5.2
179.14354	3.5
185.13371	3.6
187.14909	5.8
199.14891	2.3
201.16490	2.4
205.15915	2.7
213.16382	1.6
229.19553	1.5
231.21188	2.5
241.19560	7.7
243.21164	3.5
257.19199	2.4
259.20602	20.8
261.22110	8.8
277.21628	18.2
289.21786	1.8
293.21329	1.8
315.23575	1.6
333.24225	16.8
335.25830	100.0
336.26538	1.9
337.27383	2.6
351.25369	38.8
405.14014	2.4
406.14313	1.6
459.20813	1.5
483.66510	1.6
489.35986	2.0
497.31390	2.4
498.31912	1.4
529.38910	4.6
551.28833	2.1
552.28949	2.5
593.46167	2.0
611.46765	58.8
612.46991	2.5
629.48004	1.9
660.36578	2.6
713.33984	2.2
755.51001	2.2
970.58099	68.1
971.58618	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	970.6113
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	5.0
69.07073	27.0
71.50970	3.8
71.78201	2.7
75.60262	2.6
79.05492	51.3
81.03416	4.6
81.06597	4.8
81.07058	68.9
83.04989	5.4
83.08620	15.6
85.02894	12.1
85.06538	3.3
86.88005	2.8
91.03926	5.2
91.05484	44.6
93.07043	62.2
95.04941	6.2
95.08615	55.3
97.02898	9.4
97.06535	12.9
97.10147	7.0
105.04494	4.4
105.07030	38.1
107.08598	32.3
108.39662	3.2
109.06541	3.2
109.10159	26.7
111.08105	3.3
117.07018	8.9
119.08580	29.2
121.10140	25.3
123.11723	9.7
126.55685	2.8
127.03938	4.7
129.05470	3.3
129.06999	3.7
131.08578	19.9
133.10133	27.9
135.11685	18.2
140.65656	3.2
143.08540	4.5
145.10103	10.9
147.11690	20.0
149.13258	13.0
157.10176	4.9
159.11763	14.9
161.13249	13.7
162.01561	2.7
162.87685	2.9
163.14742	3.3
165.12791	2.7
165.33492	3.2
171.11784	4.5
173.13219	6.9
175.14775	4.1
185.13304	5.4
186.68785	2.8
187.14812	4.3
206.42834	3.1
231.21017	5.0
241.19496	9.4
259.20526	23.7
261.22244	5.7
273.21939	3.3
277.21585	22.0
333.24274	11.3
335.25836	100.0
346.40585	3.3
351.25262	49.7
360.91107	3.7
489.35883	3.4
492.86813	3.5
603.66315	3.4
611.46692	73.4
831.65234	3.5
875.79871	3.5
970.57825	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	6.9
69.07079	27.6
69.81998	2.9
69.82408	6.2
71.04978	3.8
73.02920	4.4
77.03924	2.1
79.05499	79.6
81.03407	5.5
81.07061	91.9
83.04980	4.5
83.08634	10.2
85.02910	17.7
85.06539	4.2
87.04468	1.8
91.03962	15.1
91.04477	1.8
91.05485	78.3
93.07048	97.2
95.04952	6.9
95.08611	70.8
97.02891	12.4
97.06524	5.0
97.10150	6.0
99.08083	3.2
103.05431	2.2
105.04525	3.4
105.07041	80.4
107.04919	1.8
107.07887	3.0
107.08603	50.3
109.06509	3.9
109.10160	30.0
111.08067	3.9
115.05478	3.2
117.07025	24.0
119.08586	66.2
121.10151	38.8
123.08092	3.3
123.11693	9.8
125.09599	3.0
127.03918	5.1
128.06178	3.3
129.07016	13.9
130.07837	2.0
131.08577	40.2
133.09128	2.9
133.10141	55.8
135.08110	2.4
135.11693	37.3
137.09573	3.7
137.13249	1.9
139.08818	1.6
141.06953	3.1
143.08551	16.3
145.04926	6.8
145.10143	36.3
147.11697	44.4
149.09666	4.7
149.13252	18.9
151.11208	2.5
155.08580	2.3
156.09317	1.9
157.10127	15.5
159.08026	1.6
159.11705	33.0
161.13254	33.3
163.05998	10.7
163.11110	2.1
163.14828	5.7
169.10207	4.8
171.11674	14.8
173.13234	18.7
175.11229	2.7
175.14836	13.8
183.11723	3.2
185.13283	13.0
187.14761	9.7
189.16441	3.2
197.13304	3.8
199.14865	8.4
201.16406	5.4
209.13275	3.6
211.14767	2.5
213.16373	4.7
215.17993	2.5
217.15910	2.2
217.19518	2.5
231.21057	6.4
239.18062	2.3
241.19566	28.7
243.20995	6.1
257.18979	11.0
259.20584	70.6
261.22256	12.7
271.20599	2.8
277.21701	2.1
297.22049	4.0
309.49908	1.8
313.25104	2.7
315.23157	6.1
331.22708	3.9
333.24255	63.8
334.24612	2.9
335.25836	100.0
336.26138	4.3
337.27371	6.7
351.25592	2.0
367.22601	2.4
367.29886	2.2
487.33475	2.4
492.53732	1.9
501.41403	2.8
519.41913	5.5
593.45441	15.4
611.46735	94.9
612.46735	4.3
623.45978	3.0
635.47876	2.5
654.32532	2.0
701.47217	6.8
719.48511	4.8
737.49115	5.2
755.50287	4.9
970.55615	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	968.5951
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	20.4
69.07068	7.7
69.25111	3.8
69.25540	5.8
79.05074	1.8
79.05500	22.4
81.03423	2.5
81.07059	23.6
83.04969	4.4
83.08622	3.4
85.06544	1.4
87.58198	1.2
91.05488	20.5
93.07049	19.2
95.01322	1.4
95.04977	2.3
95.08614	19.3
97.06535	4.1
97.10165	1.9
105.07038	22.0
107.04970	5.9
107.08602	12.0
109.06544	2.5
109.10161	8.6
113.02761	1.1
117.07040	6.9
119.08586	12.1
121.06549	1.1
121.10169	6.9
121.65456	1.1
123.11753	1.6
125.09682	2.6
131.08562	8.9
133.10143	13.1
135.08067	2.4
135.11705	4.2
137.09624	2.1
138.89751	0.9
140.53514	1.0
145.06438	1.3
145.10156	7.4
147.11685	7.3
149.09624	5.4
149.13258	1.9
155.08582	1.5
157.10155	1.8
159.11728	3.2
161.13272	2.5
163.11189	1.7
171.11581	1.1
173.13197	1.6
176.80759	1.1
179.14371	3.1
197.13350	1.2
219.17476	15.9
237.79625	1.1
257.19040	3.0
261.22021	1.5
267.15747	1.2
275.20053	21.8
304.22952	1.1
335.25806	31.5
349.23749	19.5
530.40332	1.2
533.62305	1.1
609.45166	100.0
610.45892	4.9
968.56750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	43.8
69.03437	7.6
69.06736	1.9
69.07070	22.8
69.20449	6.8
69.20871	4.3
71.01321	1.3
71.04980	3.9
71.08637	24.8
73.02913	2.8
79.05499	27.8
81.03426	11.7
81.07059	59.0
83.04993	8.1
83.08624	14.6
85.02909	12.1
85.06542	2.1
85.10192	16.9
89.06028	1.4
91.03972	5.7
91.04922	1.8
91.05480	26.7
93.06493	2.1
93.07052	33.0
95.04948	7.7
95.08607	35.5
97.02899	8.8
97.06557	8.5
97.10185	9.8
98.21460	2.3
99.04462	1.3
99.08064	3.1
105.07037	22.0
107.04961	4.4
107.08603	20.8
109.02850	3.1
109.06519	3.7
109.10156	19.3
111.04390	1.1
111.08067	4.2
113.09656	1.3
117.07027	9.6
119.08591	15.5
121.06506	3.7
121.10146	11.0
123.08073	4.4
123.11687	8.2
125.09646	3.1
127.03905	4.6
129.05507	1.7
129.06996	5.0
131.08566	12.0
133.10127	18.0
135.08075	4.0
135.11703	10.0
137.09618	1.5
139.11226	2.1
141.06927	1.4
143.08553	3.4
145.04942	3.0
145.10121	11.6
147.08012	1.6
147.11658	7.5
149.09625	7.0
149.13268	6.9
151.11159	2.0
151.14864	1.2
155.08527	1.9
157.10152	2.7
159.11700	9.8
161.13191	2.2
161.87944	1.3
163.09758	1.2
163.11208	4.0
165.16364	1.5
169.10115	2.4
171.11623	1.6
173.04500	2.8
173.13272	3.5
177.12752	3.2
183.11708	1.7
185.13206	1.4
195.13739	2.5
197.13344	1.2
216.49934	1.1
217.15900	3.2
227.12804	3.2
229.14290	5.6
229.19527	2.1
239.17931	2.4
239.23734	4.3
247.20528	2.8
255.15950	9.5
257.19043	9.9
267.16000	2.4
269.17480	30.6
275.20068	22.8
291.19519	2.4
293.21039	2.4
299.19901	1.3
309.20605	4.5
313.27386	100.0
314.27811	1.3
331.22656	3.7
349.23752	26.3
367.24680	4.3
413.21747	2.6
467.37253	4.0
489.62585	1.3
493.38895	19.0
507.40485	81.4
508.40820	2.6
531.40869	1.9
547.43707	17.2
547.89398	1.3
587.46735	35.6
605.47546	10.7
606.47186	1.2
651.44281	2.5
749.51678	1.9
870.87958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	3.5
69.03446	3.7
69.07063	0.8
70.89548	1.2
71.01381	0.8
73.02918	4.2
79.05510	2.0
81.03448	2.1
81.07059	5.0
83.08645	0.7
85.02913	5.9
87.04467	0.5
91.03960	4.1
91.05502	1.3
93.07063	2.3
95.08626	3.0
97.02899	6.3
97.60835	0.7
98.88168	0.6
99.04463	0.9
100.62397	0.6
101.02408	2.3
105.07091	0.9
107.08608	1.7
109.02911	0.8
109.10172	1.3
121.10152	1.0
127.03972	2.2
135.11768	0.7
145.04941	0.6
170.02574	0.6
185.04286	1.4
243.08543	2.0
335.26175	1.3
347.09650	2.1
365.10727	1.2
405.13663	5.3
502.54297	0.6
519.29309	3.8
521.30939	3.7
522.90521	0.6
681.34485	4.8
683.36047	4.5
799.54858	0.9
961.58673	100.0
962.58801	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	959.57
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	3.5
69.03433	3.1
69.07053	0.6
69.51477	2.8
69.51885	1.4
71.01358	0.7
73.02930	4.3
79.05502	2.2
81.03435	2.1
81.07069	3.0
83.84215	0.5
85.02904	5.3
86.74663	0.5
91.03963	3.3
91.05477	1.3
93.07063	2.3
95.08611	3.1
97.02896	5.3
98.21503	1.0
99.04528	0.8
101.02385	1.7
105.07052	0.9
107.08610	1.0
109.10156	0.8
119.08616	1.0
121.10163	1.0
127.03976	1.5
129.56180	0.5
131.08537	0.7
133.10185	0.8
135.11690	0.9
174.75424	0.7
176.69055	0.6
185.04190	0.8
217.21753	0.6
243.08415	2.6
335.26117	1.4
347.09558	1.9
365.10703	0.8
405.13663	4.4
499.13422	0.6
519.29291	4.2
681.34467	9.9
959.56995	100.0
960.57068	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	959.5705
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.1
69.03432	3.6
69.07076	0.8
69.94068	2.3
73.02928	2.5
73.18161	0.5
79.05508	2.5
81.03419	1.3
81.07062	3.6
85.02901	5.2
85.06517	0.4
91.03972	2.9
91.05482	2.2
92.11924	0.5
93.07054	2.6
95.08602	2.5
97.02890	6.0
99.04481	0.8
101.02390	1.6
105.07044	1.0
107.08616	2.0
109.02919	0.7
109.10194	0.6
115.03934	0.5
117.07056	0.5
121.10188	0.9
124.96799	0.4
127.03934	2.1
135.11710	1.0
167.97797	0.4
180.43665	0.5
185.04265	0.8
203.05377	0.9
204.56561	0.5
243.08595	1.6
347.09708	1.6
405.13632	5.0
405.17654	0.5
519.29230	6.4
607.56665	0.4
681.34808	6.8
959.57043	100.0
960.57404	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	956.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	91.7
69.03423	3.4
69.07072	31.7
71.04981	2.6
71.08623	2.9
71.20948	1.8
73.02913	6.6
79.05496	45.3
81.03403	1.9
81.07059	96.5
83.04967	2.9
83.08167	1.4
83.08624	19.5
85.02908	23.2
85.06544	3.3
85.10131	1.3
91.03425	1.7
91.03959	17.4
91.05486	28.4
93.07048	53.1
93.08961	1.0
95.04962	3.7
95.08610	79.1
96.08937	1.8
97.02885	13.0
97.06548	6.2
97.10179	8.7
99.04459	1.6
99.08090	2.2
105.07031	23.3
107.07885	1.9
107.08594	32.6
109.06519	1.9
109.10163	33.2
109.89522	1.1
111.08059	3.0
111.11683	2.1
113.09609	1.2
117.07024	7.5
119.07806	1.8
119.08576	17.7
121.10145	28.3
123.08080	2.0
123.11714	13.1
125.09615	1.7
125.91047	1.0
127.03944	6.6
129.06975	2.4
130.07578	1.1
131.08588	12.2
133.10127	17.2
135.11703	20.6
137.13225	5.2
139.11169	2.1
143.08549	1.9
143.65269	0.9
145.04962	8.7
145.10135	11.7
147.11682	13.6
149.13254	12.6
151.14816	2.7
156.45464	0.9
157.10159	3.7
159.11671	8.5
161.13264	10.8
163.06026	11.8
163.14813	7.8
165.16371	1.4
171.11693	1.9
173.13251	7.6
175.14821	4.7
177.16431	2.6
179.17924	1.6
185.13293	2.1
187.14798	5.2
189.16373	2.6
191.17883	1.3
199.14749	1.2
201.16348	1.7
203.17984	1.0
203.99753	0.9
206.00311	1.0
209.42671	1.0
211.14622	1.1
215.17999	1.1
231.21146	1.2
233.22636	1.1
241.19461	2.8
243.21144	8.2
245.22650	4.5
247.20564	1.4
259.20575	6.5
261.22153	27.3
263.23712	5.4
279.23132	1.3
294.70911	1.2
296.39737	1.1
309.24048	1.1
313.25418	1.2
317.24655	5.4
329.28113	1.3
333.24390	5.8
335.25812	82.5
336.26047	3.9
337.27380	100.0
338.27762	2.9
339.28976	8.4
517.38989	1.2
523.45142	3.7
541.46136	3.0
545.41779	1.8
595.59515	1.1
597.48804	39.5
598.48969	2.3
615.49878	45.1
616.50110	2.1
712.31537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33082	0.7
67.05508	51.4
69.03418	2.3
69.06738	1.1
69.07073	15.7
70.68057	1.8
70.68387	1.0
71.04986	2.4
71.08613	0.9
73.02908	3.4
79.05496	39.0
81.03419	1.3
81.07060	54.4
83.04972	2.2
83.08622	7.0
85.02907	15.5
85.06516	1.9
91.03960	11.0
91.04906	1.2
91.05483	22.1
93.07050	43.4
95.04976	1.9
95.08611	47.4
97.02891	10.3
97.06532	2.2
97.10172	4.0
99.04434	1.4
99.08096	1.7
105.04556	0.9
105.07038	18.5
107.08595	25.3
109.06502	1.2
109.10168	20.3
109.10892	0.7
111.08084	1.4
111.11681	0.7
115.03890	0.8
117.07025	7.6
119.08598	17.3
121.10150	22.8
123.08083	1.0
123.11714	8.6
125.09698	1.0
127.03934	3.9
129.07014	1.5
131.08568	12.9
132.42674	0.7
133.10146	14.2
135.11696	12.8
137.09683	0.9
137.13243	3.5
143.08578	2.8
144.06520	0.7
145.04973	6.8
145.10138	11.8
147.11699	10.9
149.09605	1.0
149.13261	9.2
151.11153	0.9
151.14780	1.0
157.10100	2.4
159.11703	11.0
161.13258	8.0
163.06020	7.3
163.14821	6.1
167.14304	0.8
169.10226	0.9
171.11723	1.9
173.13263	7.2
175.14882	4.9
177.16403	2.1
185.13295	2.2
187.14845	3.5
189.16347	1.8
191.14328	0.9
199.14857	1.8
201.16444	2.6
203.18037	0.9
229.19460	0.9
241.19675	5.2
243.21065	6.7
245.22813	0.7
257.19043	0.8
259.20572	10.2
261.22162	19.7
263.23749	1.5
291.23334	0.9
299.23578	1.4
301.25360	1.0
317.24750	3.9
333.24258	8.3
335.25821	100.0
336.26151	2.2
337.27383	13.3
374.54822	0.9
503.42960	1.0
521.43512	2.5
539.44702	0.8
543.40082	1.2
595.47144	15.3
613.48297	20.7
614.48993	1.2
614.74402	0.8
803.78516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.6
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	94.9
67.90371	3.6
68.78671	3.4
69.03427	5.5
69.07064	22.3
69.26035	7.0
69.26442	28.6
71.04948	3.6
73.02899	4.6
79.05499	62.1
81.06593	7.4
81.07058	100.0
83.08619	11.7
85.02909	24.8
87.67637	3.5
91.03976	20.4
91.05486	37.8
93.07048	75.1
95.04974	5.8
95.08618	80.0
97.02890	10.9
97.06523	5.8
97.10146	8.0
105.07036	34.7
107.08601	47.2
108.40862	3.9
109.10164	31.6
109.23813	4.2
113.46587	3.7
117.07014	14.2
119.08591	25.9
121.10154	34.6
123.11707	8.9
127.03893	5.8
131.08571	15.5
133.10123	21.2
135.11720	20.6
145.04938	5.5
145.10149	18.1
147.11693	15.7
149.13245	12.5
157.10052	6.8
159.11696	18.6
161.13249	11.9
163.06007	6.8
163.14766	7.4
171.11667	8.5
173.13274	11.0
175.14766	3.7
185.13240	6.8
187.14772	6.0
199.14812	4.1
229.19598	5.1
245.18988	8.3
247.20589	10.4
259.20612	5.9
261.22232	11.6
301.30753	3.9
319.22717	8.9
321.24258	79.0
323.25723	13.1
333.23965	7.7
335.25848	81.6
337.27271	9.1
507.41818	5.4
581.45514	27.7
599.46802	27.5
604.20764	4.1
690.43274	4.0
693.49823	4.6
744.38354	4.9
836.01050	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	937.586
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	1.6
69.03430	3.1
69.07066	0.4
69.48757	1.0
69.49166	0.6
71.01362	0.2
71.08627	0.7
73.02915	2.1
79.05499	1.3
81.03419	1.3
81.07058	1.9
83.08627	0.6
85.02903	4.5
85.03386	0.3
85.10199	0.5
89.50179	0.2
91.03953	3.2
91.05499	0.7
93.07040	1.7
95.08599	1.8
97.02892	4.1
99.04499	0.5
101.02375	1.9
103.03972	0.4
105.07059	0.5
107.08632	0.5
109.02899	0.7
109.10172	0.6
113.49564	0.2
115.03946	0.5
119.08620	0.4
121.10168	0.3
127.03914	1.5
127.04716	0.2
133.10129	0.4
135.11734	0.4
145.04962	0.3
185.04251	0.8
203.05371	0.6
237.21873	0.2
239.23798	0.3
243.08408	1.8
261.22128	0.2
313.27496	0.5
335.25961	0.3
347.09464	2.2
363.09146	0.5
365.10706	1.0
405.13638	4.4
497.30939	2.8
519.29291	3.7
659.36127	3.5
681.34564	5.7
775.53436	1.1
782.25073	0.3
856.91473	0.3
874.93854	0.3
937.58612	100.0
938.59070	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	937.5859
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	1.7
69.03434	2.9
69.03780	0.2
69.07076	0.5
70.61452	0.4
71.01366	0.4
71.05004	0.3
71.08622	0.7
73.02916	3.4
79.05492	1.2
80.94870	0.2
81.03429	1.1
81.07055	1.9
83.04991	0.3
83.08624	0.4
85.02906	4.8
85.10197	0.5
87.04489	0.3
91.03960	3.0
91.05473	0.7
93.07049	1.0
95.08610	1.8
95.09158	0.1
97.02894	4.7
97.06594	0.2
97.10155	0.2
99.04458	0.7
101.02380	1.7
103.03962	0.2
104.99300	0.4
105.07051	0.3
107.08628	0.5
109.02881	0.9
109.10170	0.9
109.93414	0.1
115.03944	0.3
117.07017	0.2
119.08582	0.3
121.10182	0.5
123.11751	0.3
124.93819	0.1
127.03911	1.7
129.05524	0.2
131.08578	0.2
133.10205	0.2
135.11731	0.3
143.08659	0.1
145.05014	0.4
145.10158	0.2
149.13269	0.1
156.64386	0.1
161.13127	0.1
164.93034	0.1
173.13268	0.2
185.04169	0.7
186.99635	0.2
201.03780	0.1
203.05269	0.6
243.08418	1.5
257.25113	0.1
261.22122	0.1
269.00220	0.1
275.07440	0.1
286.99054	0.9
288.99048	0.1
313.27408	0.6
321.92764	0.1
335.26053	0.3
347.09439	1.9
363.09152	0.4
365.10425	0.6
405.13693	4.4
457.39258	0.1
497.30865	3.0
519.29297	4.0
659.35944	3.4
681.34509	5.3
775.53357	1.1
877.47699	0.4
879.48950	0.3
937.58588	100.0
938.58844	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	936.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	3.2
66.22131	1.3
67.05508	56.9
69.03424	3.3
69.07073	13.9
69.40092	4.0
69.40512	7.6
69.90079	1.4
71.04980	3.5
73.02906	2.9
77.03919	1.7
79.05497	45.0
81.03421	82.9
81.07059	64.1
83.04971	5.3
83.08620	20.5
85.02885	5.9
85.06554	2.0
90.56047	1.5
91.03938	5.7
91.05489	36.9
93.07046	49.4
95.04967	30.4
95.08611	45.4
95.09549	1.4
97.02882	6.0
97.06510	3.0
97.10146	6.8
104.35415	1.6
105.07026	23.2
107.04938	6.4
107.08599	27.4
109.02857	1.6
109.06496	5.9
109.10165	20.7
111.04436	2.5
111.08072	7.3
115.05482	1.9
117.07032	8.1
119.04987	1.5
119.08589	22.7
121.06490	4.9
121.09337	1.9
121.10151	23.2
123.04426	2.5
123.08048	5.0
123.11700	9.1
125.09602	4.9
127.03936	1.6
129.07016	10.9
131.08571	18.4
133.06491	5.7
133.10135	16.4
135.08057	2.7
135.11717	14.3
137.09544	1.8
137.13255	2.7
142.07741	2.6
145.04897	2.4
145.10124	9.3
147.04372	1.9
147.08054	2.9
147.11716	15.5
149.09587	5.8
149.13203	6.7
155.08604	1.8
157.10143	11.7
159.11667	7.8
161.13274	6.9
163.06052	4.4
163.11183	2.1
163.14810	4.2
165.12732	1.9
171.11725	3.2
173.13284	8.2
175.11142	9.7
175.14786	2.8
177.12704	1.8
183.11580	2.3
187.14772	3.7
189.11241	3.4
189.12761	1.9
193.12241	20.8
201.16396	1.9
206.59157	1.4
211.05016	1.9
211.13188	2.0
213.02870	1.3
227.12737	7.1
231.13921	1.5
235.13223	3.1
243.21074	5.3
247.16960	1.5
249.14784	3.3
261.22153	23.6
267.15921	94.0
268.72131	1.4
273.14935	1.6
279.23346	1.7
285.22351	1.6
301.14346	3.4
301.25314	6.5
309.16956	5.4
317.24777	2.6
333.16293	1.7
335.25827	100.0
336.26309	1.6
421.25806	2.9
435.27441	3.1
435.32574	5.7
449.29065	1.6
453.33719	9.6
471.34610	4.9
475.29611	1.9
527.37341	79.3
545.38397	70.7
546.39130	3.0
569.38342	12.3
611.39502	3.4
623.38879	3.2
633.59076	1.4
635.39594	3.3
653.40234	3.1
671.41180	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	935.5707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	2.1
69.03439	3.3
69.07079	1.0
69.16619	5.6
73.02918	3.9
79.05486	0.9
81.03428	1.0
81.07069	2.3
85.02911	4.9
91.03949	3.6
91.05521	0.7
91.09929	0.5
93.07059	1.7
95.08631	1.8
95.93748	0.5
97.02898	4.2
99.04468	0.6
101.02404	2.3
105.07059	0.6
106.05946	0.5
109.10143	0.8
115.03975	0.8
121.10154	1.4
127.03963	1.7
135.11696	0.9
179.56926	0.5
185.04309	1.2
203.05286	0.8
243.08510	1.9
247.06447	0.5
247.98729	0.5
347.09738	1.7
362.13281	0.7
365.10696	0.8
405.13638	5.4
431.05710	0.6
460.63455	0.6
474.52191	0.7
495.29517	3.2
507.94974	0.6
519.29376	3.7
657.34735	4.4
681.34637	5.1
773.51459	1.5
935.57056	100.0
936.57397	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	936.516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.4
67.05507	77.4
69.03411	12.5
69.07071	37.8
71.04988	8.4
71.23671	4.7
72.96378	2.3
73.02921	2.9
79.05495	81.8
81.03417	100.0
81.07056	80.6
83.04978	26.6
83.08160	3.1
83.08624	40.0
85.02907	43.8
85.06536	6.4
91.03947	6.4
91.05482	81.0
93.07050	64.4
93.07647	3.7
95.04966	38.5
95.08605	41.0
97.02891	12.7
97.06534	20.5
97.10167	24.8
99.04471	5.0
99.08111	2.8
103.05446	3.4
105.04478	2.8
105.07037	59.5
107.04950	20.1
107.08593	48.8
107.09306	3.5
109.02869	2.6
109.06522	9.6
109.10173	17.4
111.04438	5.6
111.08066	16.1
113.06009	2.5
115.05434	2.7
117.07019	18.8
119.08584	47.8
121.06513	8.0
121.10159	25.7
123.08060	5.8
123.11701	5.1
125.09631	19.7
127.03932	5.0
129.07008	19.0
131.08563	35.9
133.06523	4.4
133.10130	40.5
135.08003	5.3
135.11685	14.7
137.09622	7.4
141.06961	3.1
142.07782	5.2
143.08565	7.9
145.04953	3.3
145.10101	22.5
147.08055	6.3
147.11685	33.2
149.09636	21.7
149.13248	6.2
151.11205	4.3
155.08553	3.4
157.10114	27.9
159.11693	16.4
161.09564	2.8
161.13269	7.3
163.05806	2.5
163.11176	9.7
165.12733	3.5
169.10143	6.8
171.11696	6.6
173.13268	8.0
175.11205	22.2
177.12766	5.4
179.14308	4.7
183.11673	2.2
185.13181	2.6
189.11215	12.6
193.12245	56.8
197.13206	3.6
211.13289	74.0
212.13643	2.8
227.12756	27.6
229.14317	5.5
229.19527	2.6
239.17947	3.4
242.16608	2.2
255.15782	3.8
257.18988	14.1
267.15952	35.8
269.17471	11.7
275.20071	57.6
285.16974	78.0
293.20966	4.0
331.22733	5.3
349.23712	51.6
375.18280	2.4
421.25934	2.2
437.25150	3.9
439.26974	10.1
447.27130	5.2
452.50214	2.3
455.26254	8.0
461.29059	21.0
463.30829	2.2
465.28439	10.0
467.31110	2.8
475.85840	2.3
479.30057	40.4
523.34491	3.6
541.35236	38.7
542.35413	3.0
559.36310	93.9
566.65485	2.3
577.37164	10.4
599.31134	3.4
623.34131	4.7
703.39734	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	933.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	13.3
68.08173	0.8
69.03436	9.1
69.07077	4.9
71.01344	1.7
71.04990	1.9
73.02917	7.7
79.05490	9.2
81.03425	3.7
81.06599	1.0
81.07061	14.4
83.04979	1.1
83.08627	3.7
85.02911	19.3
85.06554	0.9
89.28294	0.7
91.03968	10.9
91.05493	9.1
93.07048	11.1
95.04977	1.6
95.08608	11.3
97.02885	15.9
97.06544	1.5
97.10165	1.5
98.20727	1.4
99.04456	1.8
101.02386	3.3
102.36497	0.7
103.05476	0.9
105.07030	9.0
107.08595	6.9
109.02866	1.7
109.10160	5.3
115.03957	1.1
117.07024	5.4
119.08598	7.3
121.10162	3.9
123.04520	0.9
123.11744	1.5
127.03919	4.6
128.06253	2.1
129.07013	5.8
131.08580	7.6
133.10143	6.0
135.11696	2.8
137.13303	1.1
141.06987	3.1
142.07802	2.2
143.08560	8.3
145.04961	1.9
145.10141	7.0
147.11676	4.3
149.13304	1.4
154.07732	1.2
155.08568	6.6
157.10150	7.7
159.11714	5.0
161.13260	1.7
167.08607	2.4
168.09340	0.9
169.10141	8.6
170.10780	0.9
171.11714	6.8
173.13321	3.5
175.14844	1.3
177.12712	0.9
179.08620	2.0
181.10149	6.3
182.10861	0.9
183.11693	8.9
185.13255	5.9
187.14861	2.7
189.16415	1.1
193.10208	2.5
195.11748	4.4
196.12474	1.0
197.13246	6.5
199.14859	3.1
205.10207	0.8
207.11797	1.9
209.13248	4.1
211.14838	4.6
213.16454	2.0
219.11723	1.1
221.13318	2.2
223.14854	2.7
225.16463	3.2
227.17986	1.3
234.39293	0.8
235.14838	1.5
237.16454	2.2
239.17976	2.2
241.19757	1.0
249.16283	1.3
251.17992	2.3
259.20746	0.7
281.18774	0.9
311.23895	1.1
335.25891	1.8
336.26083	0.8
349.25558	0.9
351.26761	0.9
363.26550	1.1
367.26511	1.1
417.39670	1.0
475.34656	0.8
514.38098	0.8
517.40503	3.5
535.41724	1.8
539.37579	1.8
540.38751	0.9
591.43872	4.6
607.43488	2.9
609.45160	100.0
610.45532	5.6
621.45477	1.6
633.45294	1.2
651.45905	1.6
699.46124	1.8
717.46783	0.9
735.48468	3.2
753.49396	2.3
771.50433	27.4
772.50421	1.2
933.55878	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	932.6307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.2
67.05508	36.6
69.03421	2.2
69.03784	0.5
69.07069	13.3
71.05010	1.0
71.08637	18.3
71.15956	1.5
73.02917	4.5
79.05496	21.3
81.03423	1.0
81.07058	42.3
83.04977	1.1
83.08623	10.2
85.02444	1.0
85.02911	14.6
85.06532	1.5
85.10191	10.6
88.21355	0.6
88.63252	0.7
89.06039	1.3
91.03955	10.2
91.05479	10.3
93.07046	25.5
95.04964	1.3
95.08611	36.8
95.66871	0.7
95.84745	0.7
96.04478	0.9
97.02410	0.6
97.02902	8.5
97.06480	1.4
97.10175	5.4
99.04440	1.0
103.07555	1.3
105.07029	8.1
107.08604	13.9
109.02858	1.1
109.06509	1.4
109.10160	18.8
111.11688	1.1
115.03951	0.8
117.07024	3.1
117.09124	0.8
119.08600	6.8
121.10156	13.7
123.08009	0.9
123.11709	7.1
127.03916	4.6
127.38866	0.6
131.08565	5.2
133.10146	7.0
135.08031	0.6
135.11713	10.4
137.09607	0.9
137.13268	2.2
145.04959	6.4
145.10123	5.7
147.11655	5.2
149.13281	6.4
151.14795	1.1
154.48055	0.6
159.11688	4.8
161.13226	4.4
163.05991	6.0
163.14865	4.0
173.13275	5.1
175.14789	1.7
177.16382	1.4
179.14314	0.7
187.14864	3.3
233.22643	2.2
239.23788	3.3
243.21086	10.8
257.11905	0.7
257.24731	1.6
261.22165	35.1
279.23105	0.9
313.27371	100.0
314.27667	1.9
317.24698	7.0
335.25806	83.1
336.26123	2.2
499.33511	0.7
499.44843	1.5
573.48810	42.3
574.48969	1.8
591.49890	8.8
693.71729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.6152
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	2.5
67.05508	55.3
69.03429	2.9
69.07072	33.8
69.31699	3.9
69.32127	6.1
71.04977	2.2
71.08619	5.3
73.02911	5.3
79.05495	27.6
81.07061	62.7
83.08625	19.1
85.02448	1.5
85.02917	19.7
85.06551	1.8
91.03948	11.3
91.05484	16.0
93.07047	40.7
95.04985	1.5
95.08613	50.4
97.02891	10.1
97.06514	3.8
97.10168	9.3
98.20782	1.7
99.04433	1.8
99.08111	1.7
105.07035	8.7
107.08604	21.0
107.31484	1.3
109.10157	18.4
111.08099	2.8
111.11732	3.3
117.07035	3.6
119.08611	9.6
121.10146	27.5
123.11718	8.5
125.09646	1.8
127.03954	7.1
127.04706	1.2
131.08577	8.6
133.10158	7.6
135.11691	16.3
137.13248	2.5
145.04950	6.5
145.10141	6.2
147.11728	6.2
149.13240	11.0
157.10103	2.0
159.11674	5.7
161.13245	4.2
163.06009	7.4
163.14876	6.3
173.13254	4.7
175.15002	1.6
177.16364	3.7
187.14885	2.0
219.21089	1.4
237.22037	4.3
243.21184	9.7
261.22168	32.5
279.23181	2.0
299.23434	1.4
309.24158	4.0
311.25818	100.0
312.25989	2.2
317.24783	4.9
335.25812	86.5
336.26053	2.7
337.27588	6.4
377.43893	1.4
402.63458	1.4
497.43286	2.1
520.40894	1.2
571.47223	48.8
572.47266	2.1
589.48260	24.7
745.77618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	4.3
69.03426	3.2
69.07077	1.8
69.25983	2.9
69.26421	3.1
71.05006	0.8
73.02908	3.1
75.31223	0.6
79.05505	2.6
81.03429	2.5
81.07059	4.1
83.08666	0.8
84.86974	0.6
85.02916	6.1
91.03962	3.5
91.05496	2.2
93.07057	3.9
93.93269	0.7
95.04992	1.0
95.08632	2.4
97.02884	6.0
97.03368	0.6
97.06602	0.8
98.21629	1.0
99.04501	0.8
101.02405	2.3
105.07060	1.8
107.08624	3.0
109.02901	1.3
109.10178	1.8
116.21559	0.7
119.08619	2.1
121.10213	2.1
123.08150	0.8
127.03931	1.2
131.08586	1.6
133.10144	1.4
135.11736	1.4
135.40981	0.7
137.10899	0.7
139.11279	0.8
145.10135	1.0
147.11754	1.2
159.11751	0.7
173.13249	0.9
185.04337	1.0
185.83675	0.8
199.15031	0.7
203.05438	1.0
243.08400	1.5
269.13541	1.5
317.52667	0.7
335.25824	0.9
347.09308	3.2
365.10809	0.8
405.13693	5.0
438.48120	0.9
439.32257	1.3
443.19189	3.3
487.22110	1.5
519.29285	7.0
605.24432	2.1
647.31738	0.7
649.26636	1.6
681.34680	9.1
721.41583	1.7
765.43793	1.4
780.77686	0.8
883.46130	1.7
927.49249	100.0
928.49249	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	928.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65794	1.5
65.03941	3.5
67.05510	86.9
69.03427	4.5
69.06735	2.3
69.07072	24.8
69.22316	13.5
71.08620	3.3
73.02905	6.2
79.05499	45.7
81.03430	3.1
81.07062	99.6
83.04960	2.5
83.08634	17.9
85.02910	24.7
85.06548	4.5
91.03955	16.1
91.05485	28.4
93.07050	56.4
95.04937	2.1
95.08614	68.4
96.04461	1.8
97.02891	13.6
97.06535	4.1
97.10181	7.2
99.04507	1.8
99.08092	5.6
99.10484	1.5
105.07038	25.1
107.08600	30.9
109.10159	27.9
111.08083	4.1
113.09635	2.4
117.07040	4.8
119.08585	23.9
121.10143	25.0
123.08075	1.6
123.11711	12.7
125.09637	2.3
127.03933	4.5
127.11166	1.8
129.06966	2.2
131.08565	14.1
133.10152	17.8
135.11694	18.1
137.09607	2.2
137.13242	7.0
145.04980	10.0
145.10127	9.2
147.11693	17.8
149.13268	11.8
151.11118	2.3
159.11732	8.1
161.13303	11.4
163.06044	12.2
163.14804	4.6
165.12703	2.0
171.11671	3.5
173.13272	7.6
175.14833	4.7
177.16344	2.2
185.13257	3.7
187.14781	3.1
189.16400	2.5
191.17906	1.6
199.14825	1.9
215.17957	4.5
215.32016	1.7
217.19563	8.2
233.19000	7.1
233.22682	1.9
235.20602	7.8
241.19582	3.3
243.21083	5.3
259.20535	7.0
261.22171	21.7
279.23297	2.3
307.22681	4.6
309.20642	3.2
309.24265	75.8
311.25980	7.8
317.24756	6.2
333.24265	6.3
335.25824	100.0
336.26245	1.8
337.27365	10.2
477.40796	2.4
495.41849	5.7
513.42603	1.9
569.45667	34.4
587.46722	46.2
588.46844	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	925.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.8
69.03437	3.5
69.07083	1.3
72.68183	0.4
73.02925	3.5
77.94805	0.4
78.40730	0.4
78.57220	0.4
79.05512	2.6
81.03420	1.7
81.03870	0.6
81.07053	3.3
83.08633	0.5
85.02908	6.0
91.03956	3.0
91.05502	1.6
93.07037	2.6
95.08633	2.0
97.02905	5.5
99.04466	0.8
101.02398	1.5
103.04029	0.5
105.07062	1.4
107.07985	0.5
107.08573	2.1
109.02909	1.0
109.10173	1.3
111.68356	0.5
117.07049	0.5
119.08627	1.3
121.10184	1.7
123.11761	0.6
127.03979	1.7
131.08618	1.0
133.10201	0.7
135.11768	0.9
145.10161	0.7
147.11829	0.6
163.11183	0.6
173.13333	0.6
185.04300	1.0
190.81865	0.5
203.05389	0.8
243.08527	1.8
267.12204	0.9
267.16135	0.7
335.26065	0.8
347.09824	1.3
365.10754	0.8
405.13849	3.1
441.17413	1.0
467.19125	2.2
485.20428	1.3
519.29358	3.8
572.50677	0.5
603.22784	0.7
629.24170	1.0
647.25427	1.6
681.34576	4.7
745.42834	1.1
763.42865	0.8
881.46057	0.7
907.46619	5.0
925.47522	100.0
926.47839	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	926.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	5.0
67.05511	92.2
69.03427	5.8
69.07074	22.5
70.63049	3.5
70.72742	0.9
71.04993	4.2
73.02927	7.8
77.03919	1.5
79.05501	76.7
81.03427	3.0
81.07063	100.0
83.04993	2.2
83.08627	13.1
85.02912	31.1
85.06552	5.4
87.04498	1.3
87.96108	1.0
91.03965	16.9
91.05488	49.4
93.07053	88.3
95.04979	4.8
95.08615	73.8
97.02895	17.1
97.06544	5.1
97.10185	5.0
99.04440	1.8
99.08102	3.3
105.04536	3.1
105.07040	35.9
107.08603	42.1
109.06493	2.2
109.10169	34.1
111.08097	3.8
111.11769	1.7
113.09665	2.1
115.03947	1.4
115.05434	1.8
117.07032	14.6
119.08591	28.5
121.10149	37.9
123.08060	2.4
123.11729	13.2
125.09698	1.1
127.03929	7.7
129.05499	1.9
129.07024	5.1
130.07779	1.4
131.08598	22.9
133.10147	29.4
135.11707	32.9
137.09628	1.6
137.13257	4.5
139.11200	1.8
143.08569	6.3
145.04984	9.1
145.10144	20.3
147.11710	19.2
149.09639	3.3
149.13264	15.2
149.14395	1.4
151.11215	1.6
151.14847	1.3
157.10143	4.4
159.11717	16.9
161.13252	10.5
163.06024	10.4
163.11195	1.5
163.14822	5.3
171.11679	6.6
173.13274	11.4
175.11066	1.1
175.14842	5.2
177.12843	2.5
177.16388	2.1
185.13338	3.2
187.14822	8.5
189.16438	3.3
197.13258	2.0
199.14874	2.7
201.16360	1.8
203.17972	2.0
205.19496	2.3
207.17519	1.1
213.16478	7.4
215.17987	16.6
217.19586	2.4
221.65810	1.0
229.19588	1.1
231.17502	7.9
233.19017	14.1
235.20605	1.4
241.19513	3.0
243.21063	5.7
257.18976	1.4
259.20645	8.3
261.22168	14.5
263.23907	1.1
273.21402	1.1
289.21774	1.6
305.21222	3.3
307.22705	57.9
308.23145	1.3
309.24219	9.3
317.24619	2.5
333.24197	5.9
335.25830	92.8
336.26306	2.1
337.27319	7.3
435.66110	1.2
475.39432	2.1
493.40472	4.5
511.41681	1.3
567.44171	20.0
568.43597	1.2
585.45197	22.7
586.45947	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99252	0.4
67.05505	3.4
69.03430	3.5
69.07085	0.8
71.01366	0.5
71.05010	0.8
73.02917	3.7
79.05497	2.8
81.03439	1.7
81.07051	3.2
81.07452	0.4
83.08656	0.4
85.02911	6.3
87.04453	0.4
91.03961	3.7
91.05476	2.0
93.07037	3.4
95.04994	0.6
95.08617	2.7
97.02897	5.5
97.06516	0.6
98.21556	0.8
99.04453	1.0
101.02408	1.4
103.03942	0.4
105.07058	1.0
107.08620	1.2
109.02905	1.3
109.06522	0.4
109.10195	1.2
117.07078	0.6
117.44872	0.3
119.08618	1.6
121.10167	2.0
127.03921	2.6
131.08612	0.9
133.10188	0.8
135.11766	1.0
145.04971	0.5
145.10184	1.1
147.11713	0.6
150.37263	0.4
159.11751	0.6
163.11209	0.9
173.09567	0.4
185.04292	0.7
191.10660	0.4
203.05278	0.9
229.16995	0.3
243.08537	1.2
249.10950	0.7
267.12155	0.6
335.26019	0.9
347.09579	2.5
365.10770	1.3
388.61127	0.4
405.13589	5.2
441.17548	1.0
467.18918	3.3
485.20218	1.6
519.29340	5.5
603.22931	0.7
629.24359	1.3
647.25067	1.8
681.34613	6.6
719.40576	0.5
745.41730	1.1
763.42682	0.6
797.35126	0.4
881.45154	0.5
907.46838	6.7
925.47614	100.0
926.47736	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	920.558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.3
67.05510	66.7
69.03432	3.7
69.07073	11.7
71.05000	20.6
71.05375	0.4
73.02938	4.1
79.05498	38.8
80.05833	0.7
81.03438	3.3
81.07060	99.7
83.04976	3.9
83.08625	10.3
85.02909	11.0
85.06545	8.9
87.04485	1.2
91.03974	6.8
91.04906	1.5
91.05488	31.2
91.57101	0.6
93.07052	43.3
93.62930	0.7
95.04981	3.2
95.08615	27.7
96.04537	0.9
97.02921	6.5
97.06538	4.9
97.10176	3.5
98.20727	1.3
99.04467	0.7
99.08089	1.0
105.04567	1.0
105.07036	17.1
107.08601	26.7
109.02879	0.9
109.06532	2.1
109.10162	14.2
111.08126	2.0
117.07025	6.4
119.08586	9.9
121.10146	18.3
123.08093	1.7
123.11708	14.1
125.09640	1.8
127.03913	2.6
128.44058	0.7
129.07004	1.3
131.08575	10.4
133.10136	18.8
133.11098	1.0
135.08075	1.2
135.11694	11.2
135.27531	0.7
145.04947	3.0
145.10118	5.1
147.11653	4.5
149.09648	0.8
149.13298	7.8
151.11191	5.8
153.12753	1.4
157.10165	0.9
159.11690	7.8
161.13252	4.9
163.06059	3.0
163.11234	1.1
163.14873	1.0
169.10089	0.8
169.12288	1.4
171.11728	1.2
173.13281	3.7
175.14870	1.1
177.12814	1.8
177.99414	0.7
179.14250	1.0
183.11656	1.3
183.13904	1.6
185.13248	1.7
187.13318	3.3
187.14899	3.0
195.13895	1.4
197.13309	1.1
199.14861	0.8
201.14818	1.7
221.86612	0.8
223.99834	0.7
227.16339	3.2
229.14296	1.7
243.15939	0.8
243.65245	0.6
253.17975	1.2
257.17538	2.1
259.20700	1.0
261.22253	2.1
269.17499	6.2
285.16904	1.1
301.20135	21.2
313.16705	0.7
317.24628	1.0
335.25812	17.5
358.24631	0.7
363.25616	0.8
398.01147	0.8
411.32742	2.0
419.33209	0.9
437.34143	2.0
445.24179	1.0
455.35385	1.2
462.06912	0.7
485.36105	3.7
503.37335	81.7
504.37839	3.8
511.37973	2.2
517.39056	3.7
529.38934	30.9
530.38770	0.8
547.39899	1.7
561.41547	100.0
562.41864	5.3
705.45837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.9
67.05508	44.1
68.05813	0.6
69.03415	1.4
69.07075	8.6
69.18504	1.0
69.18896	3.9
70.58414	0.4
71.04996	15.3
73.02916	1.9
73.06577	0.6
79.05496	26.3
81.03416	1.9
81.07058	68.3
83.04995	2.8
83.08630	5.8
85.02911	8.5
85.06553	6.4
87.04480	0.5
91.03973	4.5
91.05487	21.4
93.07048	27.5
95.04969	2.1
95.08611	20.1
96.04524	0.4
97.02898	4.1
97.06518	3.3
97.10167	1.9
98.20785	0.9
99.08092	0.8
105.04531	1.0
105.07035	11.8
107.08596	17.0
109.06532	1.7
109.09476	0.8
109.10165	10.0
111.08077	1.9
111.11723	0.5
117.07022	4.4
119.08585	7.4
121.10146	12.0
123.08111	0.7
123.11709	10.1
125.09602	1.0
127.03928	2.1
129.06998	0.7
131.08569	6.4
133.09123	0.7
133.10138	14.7
135.11691	8.4
143.08603	0.6
145.04980	1.9
145.10130	4.2
147.11696	3.1
149.09665	1.0
149.13272	5.2
151.11185	6.1
153.12816	0.5
159.11687	5.1
161.13210	2.0
163.06044	2.6
163.14853	0.8
165.12819	0.5
169.12309	0.6
171.11685	0.8
171.63371	0.4
173.13277	2.5
175.14879	0.6
177.12744	1.3
183.11935	0.5
183.13838	2.0
185.13313	0.4
187.13313	2.4
187.14806	0.9
188.93500	0.4
191.14342	0.5
195.13895	1.3
199.14890	0.5
201.14819	0.7
201.16463	0.6
227.16422	1.1
234.36485	0.4
243.15904	0.9
243.21074	1.0
250.02525	0.4
257.17514	1.0
259.20670	0.6
261.22180	2.7
267.15979	0.5
269.17487	5.1
285.17120	0.4
301.20087	11.1
317.24933	0.6
335.25818	21.9
336.88367	0.4
393.31189	0.5
411.27182	0.4
411.32538	1.0
437.33853	0.5
445.24011	0.7
485.36453	2.3
503.37341	70.0
504.37823	3.5
511.37994	1.5
517.38770	3.8
529.38934	14.3
529.91339	0.4
547.39948	0.9
561.41528	100.0
562.41931	4.5
601.58679	0.5
647.41351	0.5
692.22650	0.5
705.45483	1.5
901.30463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	3.4
67.05512	73.9
68.05830	1.2
69.03429	5.4
69.07072	22.6
71.01356	1.7
71.04997	4.5
73.02915	5.8
77.03946	1.3
79.05500	54.9
80.49443	1.3
81.03438	10.1
81.07064	70.8
83.04991	14.9
83.08618	12.1
85.02911	21.5
85.06549	3.4
91.03957	10.2
91.05490	42.7
93.07053	66.3
95.04982	13.0
95.08614	48.3
97.02901	14.3
97.06526	9.8
97.10175	7.0
98.71873	1.3
99.04451	1.9
99.08098	2.5
103.05468	1.6
105.04514	2.2
105.07042	28.9
107.04962	10.9
107.08607	41.4
109.02907	1.5
109.06522	5.3
109.10165	27.1
111.04456	11.4
111.08079	3.6
111.30130	1.3
117.07021	19.4
119.08588	24.1
121.06517	5.3
121.10170	30.3
123.04446	2.6
123.08067	5.5
123.11742	6.1
123.39502	1.4
125.09644	5.3
127.03894	4.2
129.07059	6.5
129.94200	1.3
130.07803	1.5
131.08598	21.1
133.06468	2.2
133.10146	19.1
135.08055	3.7
135.11705	31.0
137.09648	2.7
143.08562	6.9
145.04951	5.6
145.06509	3.6
145.10136	23.9
147.08092	3.2
147.11697	10.4
149.06017	1.4
149.09634	5.2
149.13257	7.3
151.11172	4.4
153.01775	1.6
153.12766	4.4
155.08582	3.7
157.10153	3.6
159.08026	2.0
159.11734	8.0
161.09782	1.5
161.13264	5.6
163.06036	4.2
163.11186	17.1
163.14926	2.7
169.10162	3.0
171.11780	2.9
173.09622	8.4
173.11998	1.5
173.13243	7.2
175.11208	2.5
175.14754	1.9
181.10182	1.4
181.12239	4.1
183.11714	3.8
184.07341	1.5
185.13284	3.7
187.11279	1.8
187.14848	3.5
191.10652	7.9
197.13547	1.4
199.14833	1.5
209.11739	26.3
209.13657	1.7
227.12735	9.3
229.37025	1.5
243.21120	4.5
253.14355	4.4
259.20490	1.8
261.22134	16.9
273.22055	3.0
275.19955	1.9
283.15424	63.9
285.16873	2.3
297.22250	1.4
299.20212	2.7
299.23569	3.0
301.16473	26.8
315.23218	3.2
317.24832	2.4
333.24399	3.8
335.25839	80.7
336.26193	2.8
415.30243	1.8
423.32623	2.3
433.30832	8.3
451.32211	14.0
469.33142	10.1
487.33475	3.1
507.34964	2.4
515.37152	3.1
525.35822	22.1
543.36859	100.0
544.37122	4.7
561.29852	2.4
561.37903	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	914.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.7
67.05505	11.7
69.03392	1.7
69.07073	6.4
70.26092	0.5
71.04984	1.3
71.08632	17.4
71.50368	0.5
73.02913	1.0
79.05493	7.8
81.03418	55.3
81.07056	14.2
83.04977	2.9
83.08618	18.9
85.02896	5.6
85.06536	0.7
85.10182	11.4
89.06014	1.2
91.03973	3.5
91.04448	0.7
91.05483	9.2
93.07047	5.2
95.01266	0.6
95.04405	0.9
95.04965	14.1
95.08608	15.1
97.02895	3.0
97.06495	1.3
97.09635	0.6
97.10160	6.0
99.04405	0.7
99.08058	0.9
103.07554	1.2
105.07033	7.8
107.04967	4.4
107.08566	2.1
109.02869	0.8
109.06463	2.1
109.10159	7.7
111.04409	1.8
111.08079	3.7
111.11689	1.0
115.05434	0.7
117.07025	0.7
117.09077	0.5
119.08579	7.3
121.06487	1.7
121.10155	5.1
123.04362	1.7
123.08036	1.0
123.11723	2.9
127.03871	1.3
129.07013	6.3
131.08557	5.6
133.06509	1.3
133.10133	3.1
142.07805	1.4
144.60876	0.7
145.04926	0.9
145.10097	1.0
147.04411	0.7
147.08029	2.4
147.11664	5.3
149.09592	2.8
157.10149	6.7
159.11755	0.6
163.06104	2.6
163.11153	1.2
165.12772	1.1
171.11786	0.7
175.11186	5.9
187.11026	0.6
189.12694	0.6
193.12247	20.5
203.83377	0.5
211.13306	1.7
212.52826	0.5
221.15317	0.6
235.13252	0.8
239.23685	2.0
249.14934	1.6
257.24753	2.2
259.13297	2.3
267.15915	100.0
268.16348	1.7
273.14981	0.9
301.14380	2.0
309.16928	2.7
313.27368	90.7
314.27814	1.8
333.16962	0.6
351.18002	0.7
393.19318	0.6
429.21558	0.6
462.98465	0.5
505.38892	76.4
506.39102	3.1
523.40015	1.3
547.39990	6.8
589.41461	0.7
601.40723	3.0
613.40778	1.5
631.42041	2.1
649.43201	1.3
656.60187	0.7
882.81720	0.6
914.67236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05522	1.4
69.03429	2.4
69.07069	0.6
71.04996	0.8
71.08643	0.6
73.02918	2.8
79.05495	1.2
81.03426	2.6
81.07077	1.5
83.08642	1.3
83.74039	0.3
85.02906	4.7
85.03384	0.4
85.10191	0.7
87.04475	0.5
91.03964	2.4
91.05498	1.0
93.07069	1.1
95.04967	0.9
95.08646	1.2
97.02897	4.5
97.06528	0.4
97.10212	0.5
99.04493	0.9
101.02428	1.6
105.07072	0.7
107.05060	0.4
107.08583	0.4
109.02878	0.4
109.10191	0.4
111.08134	0.6
115.03995	0.3
119.08629	0.7
121.10201	0.8
127.03913	1.5
131.08617	0.9
133.10141	0.7
145.04910	0.3
145.10323	0.4
147.11717	0.7
149.09688	0.8
153.01837	0.5
157.10191	0.5
175.11304	0.7
185.04294	0.8
193.12341	1.2
203.05353	0.5
229.45845	0.4
243.08345	1.9
267.15961	0.7
283.06485	0.6
283.15161	2.3
313.23483	0.3
313.27533	0.9
339.17899	0.8
347.09595	2.4
365.10721	0.9
405.13690	5.5
405.18503	0.4
469.20428	0.6
497.30942	5.2
501.23160	9.5
595.41528	0.5
659.36188	4.6
660.35693	0.4
663.28369	8.1
664.28717	0.7
757.47229	2.1
919.52405	100.0
920.52747	6.8
931.18591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.9
67.05508	17.7
68.61392	0.5
69.03436	2.9
69.07071	8.2
69.19813	6.4
71.04983	2.7
71.08637	15.9
71.82368	0.7
73.02914	2.2
79.05025	0.6
79.05499	13.4
81.03424	38.3
81.07058	22.7
83.04987	9.4
83.08622	18.2
83.82201	0.6
85.02911	24.2
85.06543	1.4
85.10195	9.0
89.06027	0.8
91.03970	5.8
91.05486	19.1
93.07049	8.6
95.04378	1.0
95.04971	15.6
95.08617	15.8
97.02903	6.2
97.06531	2.0
97.10159	6.2
98.21538	1.2
99.04453	0.8
99.08089	1.1
105.07039	10.1
107.04974	4.3
107.08596	4.3
109.02894	0.6
109.06520	2.9
109.10170	6.8
111.04462	1.8
111.08088	5.8
111.11722	1.9
113.06036	1.4
117.07010	1.1
119.08585	10.8
121.06556	1.1
121.10165	4.7
123.08085	0.8
123.11751	2.9
125.09635	1.3
127.03924	1.6
129.07013	6.3
131.08589	7.1
133.06479	1.7
133.10124	5.6
137.09677	0.9
137.13252	0.9
142.07750	1.3
145.04950	2.2
145.10165	0.9
147.08054	2.2
147.11702	7.9
149.09593	4.0
157.10161	6.8
163.06050	1.8
163.11273	0.7
165.12801	1.3
175.11186	8.1
193.12253	26.1
211.13306	45.3
212.13795	0.6
249.14908	1.2
267.13043	1.2
267.15933	16.2
267.26758	0.8
285.16977	64.3
285.27689	1.2
286.17358	1.1
291.92068	0.7
341.30521	62.7
342.31006	1.8
533.41992	14.9
551.43103	100.0
552.43188	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	909.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.4
67.03252	0.3
67.05500	2.1
69.03439	3.2
69.07076	0.6
70.06345	0.9
71.01379	0.5
71.04998	0.6
73.02921	3.7
73.48171	0.3
77.85143	0.2
79.05486	2.0
81.03423	2.3
81.07068	2.7
83.04972	0.5
83.08650	0.5
85.02909	6.1
85.03381	0.4
91.03960	3.7
91.05476	1.8
93.07044	2.6
95.05009	0.9
95.08620	1.8
97.02897	5.7
99.04475	1.0
105.07060	1.1
107.05004	0.4
107.08614	1.0
109.02898	0.9
109.06532	0.4
109.10171	0.6
111.08128	0.3
111.60098	0.3
117.06996	0.5
119.08588	1.5
121.10172	1.3
123.11707	0.3
127.03938	1.5
129.07027	0.4
131.08604	0.7
133.10175	0.8
135.11707	0.6
145.05025	0.4
145.10185	0.5
147.11720	0.9
157.10175	0.4
175.11285	0.4
185.04332	0.8
190.90636	0.3
193.12352	0.8
203.05333	0.7
211.13345	0.4
215.52797	0.3
243.08398	2.3
251.12668	0.6
307.15295	0.9
335.25693	0.5
347.09561	1.9
363.09171	0.6
365.10797	1.1
405.13715	4.7
469.20526	6.6
470.20871	0.3
519.29468	3.0
631.25763	6.0
681.23462	0.5
681.34491	3.2
747.42700	1.3
909.48218	100.0
910.48462	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	909.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.3
67.05511	3.4
69.03436	3.9
69.07063	0.9
69.34531	1.4
69.34943	0.5
71.01350	0.7
71.05004	0.7
72.47607	0.2
73.02923	4.8
79.05502	2.5
81.03426	3.1
81.07064	3.5
82.51218	0.2
83.04998	0.6
83.08612	0.6
85.02911	7.2
87.04486	0.4
91.03965	4.6
91.05489	2.4
93.07062	2.5
95.04992	0.9
95.08608	2.0
97.02899	6.7
99.04478	0.9
103.03952	0.4
105.07027	1.3
107.08592	2.2
109.02914	1.0
109.06536	0.3
109.10181	0.7
115.03943	0.4
117.07031	0.3
119.08547	1.3
121.10157	1.3
127.03930	2.3
131.08615	0.7
133.06476	0.2
133.10159	1.0
135.11719	0.5
145.04970	0.5
145.10210	0.4
147.11742	0.5
148.37845	0.2
149.13335	0.4
157.10210	0.3
175.11224	0.3
176.61145	0.3
185.04272	0.8
193.12341	0.4
203.05321	0.6
207.99792	0.3
221.87314	0.3
243.08388	1.7
245.06335	0.3
251.12608	0.9
259.07977	0.4
261.22092	0.4
335.26147	0.5
347.09500	2.1
363.09018	0.4
365.10812	0.9
405.13663	5.6
405.18527	0.4
421.13126	0.3
439.25381	0.2
464.90262	0.3
469.20523	4.4
519.29321	5.4
631.25800	2.5
681.34613	6.2
682.35242	0.3
747.43353	1.7
909.48236	100.0
910.48383	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	907.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	4.4
68.05831	0.4
69.03439	3.7
69.07071	1.1
69.63452	2.3
69.89709	0.3
71.01351	0.5
71.05006	0.8
73.02913	3.8
79.05497	2.6
81.03427	2.2
81.07058	3.8
83.01363	0.6
83.04994	0.6
83.08640	0.8
85.02908	6.1
91.03953	3.4
91.05479	2.0
93.07053	3.2
95.04973	0.8
95.08607	2.9
97.02898	5.6
98.20741	0.7
99.04464	1.0
101.02399	1.9
105.07053	1.3
107.04980	0.5
107.08598	1.8
109.02898	0.8
109.06535	0.7
109.10197	1.3
115.03946	0.4
117.07047	0.6
119.08600	1.4
121.10134	1.8
123.08105	0.5
127.03943	1.7
131.08626	0.7
133.10149	0.5
135.11743	0.8
144.13068	0.4
145.05034	0.4
145.10162	1.3
147.11736	0.5
158.10817	0.3
161.13278	0.4
163.11238	1.2
185.04265	0.7
202.85831	0.3
203.05258	0.7
203.76514	0.3
243.08414	1.8
335.25998	0.8
347.09436	1.6
363.08878	0.5
365.10629	0.8
380.28027	0.4
405.13705	4.6
429.50867	0.4
467.18939	6.4
489.35730	0.7
519.29547	2.7
547.39886	0.5
548.40479	1.3
629.24182	6.3
641.90375	0.3
652.48206	0.4
681.34369	2.9
745.41833	1.1
907.46625	100.0
908.46844	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	907.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	4.4
68.05854	0.3
69.03430	4.2
69.06738	0.3
69.07076	1.3
69.41354	0.3
71.01372	0.5
71.05006	1.0
73.02917	3.9
79.05502	3.3
81.03424	2.8
81.07052	4.4
83.04992	0.6
83.08628	1.1
85.02910	7.5
85.03382	0.5
87.04487	0.3
91.03957	3.5
91.05489	2.6
93.07041	3.0
93.93578	0.3
94.07372	0.4
95.04990	1.2
95.08601	3.1
97.02900	6.2
99.04464	1.0
101.02370	1.7
103.03962	0.4
105.07038	1.6
107.08612	1.8
109.02899	0.9
109.10187	1.2
111.08080	0.4
115.03976	0.3
117.07018	0.5
119.08615	1.1
121.10134	1.6
123.11739	0.5
127.03915	2.2
128.56538	0.3
131.08591	0.7
133.10178	1.1
135.11731	1.2
145.05005	0.8
145.10187	0.4
147.11734	0.4
157.10197	0.3
161.13313	0.3
163.11253	0.5
172.43895	0.3
175.14850	0.4
185.04233	1.0
193.12325	0.8
203.05272	0.6
211.13383	0.9
213.22832	0.3
225.58092	0.3
226.33661	0.3
243.08408	2.1
259.07968	0.3
267.16098	0.6
268.16370	0.3
285.17017	1.1
286.17621	0.4
335.25821	0.9
336.26422	0.4
337.27496	1.1
338.27802	0.6
347.09528	1.5
363.09122	0.5
365.10608	0.8
405.13687	4.9
460.01260	0.4
467.18903	3.7
490.36310	0.4
519.29248	4.4
547.39728	1.4
548.40155	2.8
629.24268	2.7
681.34583	6.2
745.41302	1.3
868.15753	0.4
907.46613	100.0
908.47180	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	907.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	4.6
69.03437	2.8
69.07069	1.0
70.08321	1.0
71.01366	0.3
71.05000	0.9
73.02917	3.7
79.05507	3.6
79.85778	0.3
80.05814	0.3
81.03421	2.2
81.07057	4.6
82.07413	0.5
83.04974	0.4
83.08631	0.6
85.02908	6.1
87.40624	0.3
91.03960	3.0
91.05499	2.1
93.07056	3.6
93.64050	0.3
94.07426	0.5
95.04977	0.7
95.08605	3.5
97.02892	5.3
99.04485	0.9
101.02414	1.4
105.07022	1.5
107.08603	2.0
109.02885	0.3
109.10167	1.5
111.08056	0.4
113.00046	0.3
115.03958	0.5
116.90990	0.3
117.07060	0.7
119.08621	1.1
121.10174	1.7
123.08076	0.3
127.03950	1.4
131.08594	1.0
133.10176	0.7
135.11687	1.8
145.10138	1.5
147.11685	0.7
149.13297	0.5
157.10207	0.4
163.11195	1.7
169.02641	0.5
169.81699	0.3
185.04300	0.6
193.12303	0.4
203.05327	0.7
211.13403	0.5
227.12813	1.0
243.08452	1.8
243.15959	0.4
249.11020	6.2
249.13382	0.4
258.92606	0.3
259.08176	0.3
261.22372	0.5
285.17285	0.3
287.18686	0.4
305.13687	1.1
316.84592	0.3
335.25845	1.5
336.26315	0.8
337.26715	0.5
347.09460	1.9
365.10663	0.7
405.13708	5.6
467.18875	5.6
503.37180	0.5
504.37823	1.2
519.29340	6.0
546.39056	1.1
547.39160	1.4
548.39764	1.3
629.24323	2.4
681.34692	8.5
745.41266	2.1
895.07837	0.4
907.46655	100.0
908.47021	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	906.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.7
67.05508	37.4
68.05828	0.9
69.03432	3.9
69.07069	14.1
71.04996	4.0
71.08619	0.6
71.50117	0.6
73.02924	2.5
79.05498	20.1
79.26839	0.5
81.03423	31.8
81.07060	40.4
82.07386	1.1
83.04990	7.7
83.08623	18.9
85.02911	21.4
85.06525	1.8
91.03962	6.1
91.05485	19.9
92.05791	0.6
93.07044	16.2
94.07334	0.5
95.04381	0.8
95.04973	12.8
95.08612	26.5
96.08921	0.6
97.02886	6.6
97.06515	2.9
97.10184	5.7
99.04433	0.6
99.08113	2.3
105.07035	16.0
106.07378	0.7
107.04971	3.0
107.08607	9.3
108.08916	0.7
109.06523	2.8
109.10165	10.7
111.04460	1.6
111.08102	6.0
111.11732	0.6
111.63216	0.4
113.05999	1.2
115.05424	1.0
117.07012	1.4
119.08594	13.4
120.08932	0.6
121.06511	1.4
121.09349	0.6
121.10153	8.3
123.08079	1.7
123.11721	4.9
125.09645	1.5
127.03906	2.5
127.07570	0.5
127.11202	0.5
129.06995	5.9
131.08592	8.3
133.06490	1.9
133.10150	10.3
135.11703	2.6
137.09624	1.7
137.13315	1.0
139.11037	0.5
141.13989	0.6
142.07770	1.3
145.04973	2.9
145.10126	2.0
147.08047	1.7
147.11700	12.4
148.11975	1.2
149.09653	3.5
149.13281	1.7
151.11230	0.6
157.10132	7.7
159.11697	0.7
161.13264	1.7
163.06009	2.8
163.11134	0.7
163.14870	1.2
165.12738	2.7
166.13074	0.6
175.11194	7.5
175.14885	1.2
177.16391	0.6
184.07373	1.4
187.14816	0.7
189.16417	0.6
193.12254	25.4
194.12700	0.6
203.17995	0.6
211.13303	41.7
212.13742	1.1
229.14500	0.7
245.22624	1.6
249.14799	0.9
261.22156	0.9
262.22592	0.6
263.23700	2.3
267.15921	13.9
268.16391	1.6
269.16415	0.6
285.16974	55.6
286.17352	3.4
287.17752	0.8
335.25629	2.3
336.26215	2.1
337.27374	49.7
338.27551	1.0
437.34442	0.7
455.35254	1.1
489.35834	3.0
529.38898	11.7
530.39502	0.9
545.37964	0.8
546.38574	1.7
547.39960	100.0
548.40179	4.5
560.42474	0.6
565.41150	0.8
906.50897	4.1
907.48840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.141
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86987	0.1
68.99782	0.1
69.03418	0.3
69.62236	0.4
78.37639	0.1
79.01853	5.0
81.03413	0.6
87.00835	0.2
87.90649	0.1
92.37459	0.1
97.02899	1.4
101.08363	0.1
107.01316	1.5
107.04940	0.1
109.02842	0.6
113.42032	0.1
119.04980	0.1
121.02880	0.1
123.00832	0.2
125.02353	2.6
127.03931	2.5
127.04834	0.2
135.04425	0.1
139.03893	0.1
143.03398	5.1
143.12880	0.1
147.04416	0.2
153.01837	100.0
153.02881	5.7
154.02165	1.2
159.04379	0.2
163.03882	1.0
171.02911	0.7
175.03886	0.2
177.05531	0.2
180.46027	0.1
183.02995	0.1
190.87369	0.1
191.03397	2.2
205.04959	0.1
209.04482	0.7
213.03920	0.7
219.02951	0.6
221.04395	0.2
233.04491	0.4
237.03952	6.6
261.04007	0.9
279.05014	1.7
279.07898	0.2
287.05508	4.2
297.06052	1.2
299.05511	0.1
305.02707	0.1
322.19174	0.1
446.79742	0.1
449.07187	2.6
467.08255	0.3
575.18939	0.1
619.09424	0.4
652.31189	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	904.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.8
67.05505	61.5
68.05831	1.2
69.03425	5.3
69.07066	16.9
71.04996	4.7
71.08631	1.2
73.02898	4.2
77.03932	1.3
79.05493	36.2
81.03419	4.5
81.07056	100.0
82.07371	2.0
83.04974	7.0
83.08623	11.6
85.02905	16.2
85.06522	6.2
91.03963	9.4
91.05479	32.0
92.05798	1.7
93.07044	37.3
93.07640	2.3
94.07366	1.3
95.04983	5.6
95.08607	44.1
96.08955	1.8
97.02895	8.7
97.06532	6.3
97.10170	3.9
98.21558	2.1
99.04472	1.5
99.08096	4.1
101.06025	0.9
103.03963	1.6
103.05437	1.1
105.04535	1.5
105.07033	37.3
106.07369	1.0
107.04980	2.1
107.08592	27.6
109.06509	5.3
109.10153	15.7
111.08045	2.5
113.05994	2.0
117.07030	5.1
119.07722	0.9
119.08583	30.5
121.10141	30.9
123.08064	5.1
123.11707	30.8
125.09634	1.4
127.03909	3.6
127.07565	2.4
129.07008	2.8
131.08559	8.0
133.10143	10.1
135.11700	10.8
135.84731	1.1
136.06296	1.0
137.09608	1.5
137.13264	3.3
141.09074	1.2
145.04948	4.3
145.10132	8.0
147.11690	59.3
149.09538	1.2
149.13274	6.5
151.11189	1.9
153.01848	1.3
157.10129	4.1
159.11693	4.0
161.13260	2.9
163.06039	3.6
163.11151	1.7
163.14853	3.3
165.12749	22.2
173.09592	0.9
173.13300	4.9
175.11128	2.7
175.14732	1.2
177.16367	1.0
183.06735	0.9
183.13782	2.9
184.07295	1.1
184.38451	0.9
187.14778	1.6
193.12218	3.1
211.13292	1.7
229.14404	5.6
243.21080	5.5
246.38026	0.8
254.55606	1.0
261.22137	19.6
267.15915	64.9
275.79678	1.0
279.23190	2.7
282.22229	0.9
283.15393	3.3
284.15790	2.3
285.16971	84.2
286.17322	1.3
317.24686	3.2
335.25800	75.7
336.26123	3.9
353.26801	2.9
410.92584	1.0
435.32413	0.9
437.02325	1.0
453.33499	2.1
471.34634	1.1
527.37305	8.2
531.58673	1.0
543.36304	1.2
544.37042	1.3
545.38367	69.4
546.38550	3.5
563.39337	4.3
904.49078	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	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.3
67.05506	43.5
69.03429	4.6
69.07068	8.2
69.42554	2.0
69.42953	7.6
69.43263	1.0
71.04990	5.0
73.02921	3.1
75.90803	1.1
77.22796	1.0
79.05023	1.2
79.05493	37.4
81.03419	51.1
81.07059	51.5
83.04976	13.9
83.08623	21.2
85.02387	1.1
85.02903	31.5
85.06541	3.1
91.03970	7.3
91.05482	34.8
93.07046	34.8
95.04976	19.1
95.08606	27.6
97.02882	8.6
97.06529	4.3
97.10170	4.2
99.08119	1.2
104.96109	1.0
105.04536	1.8
105.07035	27.2
107.04967	5.8
107.08597	18.0
109.06530	3.5
109.10148	9.1
111.04454	2.2
111.08075	6.6
113.06014	2.0
115.05440	1.5
117.07008	5.5
119.08578	20.3
121.06529	1.3
121.10152	14.2
123.08068	1.8
123.11697	3.6
125.09668	1.1
127.03933	4.9
128.06201	1.4
129.07018	9.1
131.08566	12.7
133.06509	2.8
133.10143	13.8
135.11705	6.8
142.07799	2.1
145.04967	3.1
145.10115	5.6
147.08046	3.2
147.11678	14.1
149.09575	6.1
149.13252	3.9
149.39714	1.1
157.10133	11.2
159.11678	3.2
161.13229	2.3
163.06020	2.9
163.11246	1.2
163.14862	2.1
165.12758	2.8
171.11682	1.1
173.13263	2.5
175.11182	11.0
182.15472	1.0
193.12250	34.1
211.13295	64.9
212.13681	1.5
227.12849	1.4
236.97595	1.1
243.21059	4.0
261.22122	9.6
267.15909	15.6
285.16968	78.9
317.24731	2.3
335.25800	59.8
336.26309	1.5
392.02808	1.2
435.32562	4.3
453.33582	2.9
496.58093	1.1
524.80365	1.2
527.37366	14.3
545.38409	100.0
546.38562	2.9
929.47272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.0
66.37536	1.1
67.05509	32.6
69.03422	3.5
69.07069	9.7
69.45408	4.2
69.45837	2.9
69.97706	0.9
71.04989	3.1
73.02924	2.7
74.95611	0.8
79.05025	1.2
79.05496	30.4
81.03421	35.9
81.07059	38.1
83.04990	9.9
83.08624	15.9
85.02911	21.1
85.06554	2.1
91.03977	5.0
91.05479	25.4
91.11237	0.9
93.07047	27.8
95.04978	14.6
95.08613	26.0
95.09183	1.6
97.02910	6.4
97.06556	3.5
97.10184	3.3
98.20863	1.9
99.08069	1.0
105.07034	15.5
107.04942	3.4
107.08592	13.7
109.06526	3.5
109.10164	10.9
111.04430	1.7
111.08093	6.3
117.07022	3.7
119.08585	15.9
121.10148	14.3
123.08056	1.7
123.11706	3.7
125.09700	1.3
127.03934	1.7
129.07018	7.5
131.08556	10.5
133.06522	1.4
133.10132	12.2
135.11703	6.6
137.09650	1.7
138.37260	1.1
142.07809	2.3
143.08530	1.1
145.04994	1.9
145.10097	5.0
147.08076	2.2
147.11700	10.5
149.09668	3.6
149.13263	3.5
157.10161	7.5
159.11725	2.7
161.13266	2.3
163.06042	2.5
163.14822	3.4
165.12746	2.6
173.13306	2.0
175.11195	9.1
177.16389	1.1
193.12260	25.4
211.13303	35.2
211.15323	1.8
216.63203	0.9
224.31207	1.0
227.12733	1.5
238.26445	1.0
243.21156	2.0
261.22159	6.9
267.15924	9.4
285.16983	43.8
286.17355	1.2
317.24741	2.0
335.25806	68.7
336.26193	2.0
415.33694	0.9
452.62170	1.0
459.19305	0.9
465.83551	1.1
471.34570	1.5
527.37238	12.0
545.38422	100.0
546.38220	4.5
700.78979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.3
67.05507	32.0
67.13641	0.8
68.05824	1.3
69.03442	3.5
69.07069	7.4
69.85706	2.8
69.86118	1.4
71.04990	2.9
71.08657	0.8
73.02904	2.5
79.05497	26.8
80.05829	0.9
81.03419	31.0
81.07056	32.8
82.07391	1.6
83.01316	0.8
83.04985	8.7
83.08620	16.1
85.02906	17.9
85.06546	1.8
91.03959	4.2
91.05478	21.1
92.05820	0.9
93.07044	29.1
93.42857	0.7
94.07370	1.4
95.04388	0.9
95.04967	14.4
95.08608	21.5
96.08958	1.3
97.02908	5.8
97.06532	2.9
97.10145	3.7
98.21503	1.3
99.08054	0.8
100.04822	0.7
103.24183	0.6
105.06326	0.8
105.07033	15.3
106.07336	0.8
107.04939	4.0
107.08596	14.4
109.06523	2.3
109.10152	8.6
109.12254	0.6
111.04445	1.6
111.08077	5.4
113.06007	1.5
115.05452	1.1
117.07000	4.1
119.08582	12.9
119.09383	1.2
119.34933	0.7
120.08911	1.1
121.06485	1.4
121.10151	11.8
123.08092	2.1
123.11694	3.8
125.09621	1.9
127.03929	2.0
129.07008	5.4
129.80467	0.7
131.08577	9.0
133.06520	1.4
133.10153	9.1
135.08084	1.3
135.11696	7.1
136.12109	0.9
137.09589	1.7
137.13271	1.1
140.01559	0.7
142.07764	1.6
143.08594	0.9
145.04999	1.6
145.10132	5.8
146.10464	1.5
147.08098	0.9
147.11693	8.9
149.09694	3.2
149.13278	3.0
151.11121	1.0
152.97862	0.7
157.10132	7.5
159.11728	2.6
161.13219	2.1
163.06078	1.6
163.11177	3.2
163.14777	1.0
164.11612	1.1
165.12822	1.6
173.09734	1.0
173.13223	1.6
175.11212	7.4
175.14830	0.6
184.07359	1.4
185.13260	0.7
187.14893	1.0
193.12257	22.7
211.13286	30.5
222.06917	0.7
227.12828	2.5
233.22884	1.0
243.21167	1.9
257.36758	0.8
259.20700	0.9
261.22150	5.0
262.22388	1.4
263.23230	0.9
267.15945	8.1
283.15421	6.9
284.15689	4.4
285.16977	31.2
317.24881	0.8
331.22446	0.8
333.24298	0.9
335.25803	39.4
336.26141	6.1
337.26465	2.3
365.35672	1.0
384.66302	0.7
435.32486	1.3
453.33612	1.6
471.34454	1.6
513.24530	0.8
527.37292	9.5
543.36841	2.2
544.37201	4.8
545.38354	100.0
546.38971	3.5
563.39172	1.4
623.87518	0.8
904.48907	1.5
905.48279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.6
65.85172	0.4
67.05506	24.8
69.03431	2.3
69.07071	6.0
69.28619	1.2
69.29030	3.7
70.32120	0.5
71.04989	1.9
73.02917	1.8
77.03916	0.6
79.05497	21.4
81.02928	1.0
81.03420	24.0
81.07059	28.2
82.98331	0.5
83.04985	6.3
83.08151	1.0
83.08626	12.6
83.09123	0.7
85.02908	14.5
85.06564	1.3
91.03952	3.1
91.05489	17.2
93.07046	21.5
94.07377	0.6
95.04978	11.6
95.08611	21.0
97.02882	4.0
97.06538	2.9
97.10175	2.4
99.04455	0.6
99.08098	0.8
105.04533	1.0
105.07036	11.9
107.04979	2.9
107.08607	11.8
109.06537	2.5
109.10162	7.6
111.04446	1.2
111.08080	3.8
112.57366	0.5
113.06009	0.5
117.07024	2.8
119.08591	10.7
121.10153	10.8
123.08080	1.7
123.11706	3.1
125.09667	0.7
127.03938	1.0
129.06979	4.6
131.08574	8.3
133.06499	1.2
133.10136	7.9
135.08086	1.0
135.11696	5.0
137.09615	0.9
137.13293	0.8
142.07797	0.8
145.04959	1.2
145.10143	3.0
147.08061	0.9
147.11690	8.7
149.09615	2.8
149.13281	2.2
151.11176	1.0
152.50591	0.5
157.10115	6.0
159.11746	2.2
161.13289	1.4
162.43861	0.5
163.06053	1.4
163.11201	0.9
163.14825	1.2
165.12781	1.8
169.10158	0.5
171.11639	0.6
173.13239	1.6
175.11186	5.3
175.14931	0.8
177.12805	0.5
184.07341	0.9
187.14864	1.3
193.12251	16.9
211.13298	21.6
227.12814	1.7
243.21080	1.7
261.22159	5.4
267.15924	8.8
283.15311	1.2
284.15936	0.8
285.16983	29.0
317.24771	1.2
335.25827	46.1
336.26160	2.2
337.27042	0.6
365.24225	0.5
398.75793	0.6
435.32837	1.5
453.33716	2.1
457.70325	0.6
471.27637	0.5
471.34952	1.0
527.37445	9.2
544.37195	1.1
545.38397	100.0
546.38721	4.2
689.42188	1.6
935.16534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.5
67.05508	44.7
69.03447	3.8
69.07075	9.5
69.46126	0.9
69.46526	4.3
71.01347	1.2
71.04991	3.9
73.02914	5.2
77.31503	0.7
79.05496	39.2
81.03420	12.1
81.07057	46.3
82.07404	0.8
83.01337	8.1
83.04986	10.5
83.08159	1.0
83.08624	14.0
85.02910	21.6
85.06521	2.0
91.03960	11.2
91.05486	24.8
93.07049	50.3
95.04961	7.8
95.08609	34.9
96.04482	0.9
96.08919	0.9
97.02903	11.7
97.06532	5.3
97.10164	6.6
99.04449	3.2
99.08076	1.2
105.04503	1.4
105.05971	0.7
105.07036	17.0
107.04958	8.4
107.08598	27.1
109.06517	7.0
109.10161	14.1
111.04439	2.4
111.08063	3.1
111.11684	1.0
117.07027	11.5
119.08586	15.5
121.06502	2.6
121.10148	19.7
121.36784	0.8
123.08076	9.7
123.11717	5.4
125.05980	1.3
125.09636	4.5
127.03902	3.5
129.07013	3.2
130.07793	1.8
131.08568	10.6
133.10147	10.5
135.08051	2.2
135.11697	19.3
137.09612	1.2
137.13191	0.9
139.11258	0.9
143.08563	2.3
145.04950	4.9
145.10129	20.4
147.08049	2.0
147.11722	4.8
149.09639	1.1
149.13248	6.2
153.12738	2.9
155.08554	1.5
157.10161	0.9
159.11723	5.0
161.13313	5.2
163.06042	6.4
163.07321	1.2
163.11185	23.6
163.14789	2.6
169.10068	0.9
171.11673	1.5
173.09621	2.7
173.13278	5.8
175.11247	1.2
175.14749	1.1
177.16451	1.2
181.12263	3.5
185.13200	1.3
187.14839	3.0
189.11208	2.3
189.16492	0.7
191.10675	2.7
193.12209	2.0
197.13213	0.8
199.14828	1.3
209.11671	6.5
211.13202	1.2
227.12796	10.5
243.21094	5.2
259.20676	2.4
261.22147	14.8
261.24881	1.2
267.15927	2.5
273.22083	0.8
283.15402	100.0
284.15714	3.1
285.17038	1.3
299.23590	4.3
317.24734	3.9
333.24234	2.3
335.25815	65.5
336.26096	2.3
396.88092	0.8
415.29611	0.9
433.30936	2.3
451.32404	4.5
457.30344	0.7
469.33035	3.0
487.34134	1.2
515.37445	1.0
525.36017	5.6
543.36853	58.7
544.37085	2.9
561.37970	4.3
858.03821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	2.6
65.38577	0.7
67.05508	50.8
67.05839	1.6
69.03429	4.9
69.07069	12.1
70.68409	2.0
71.01343	1.0
71.04995	3.8
73.02917	3.9
75.13348	0.6
77.03912	1.3
79.05496	44.7
81.03015	1.0
81.03422	11.1
81.07060	56.2
83.01349	7.5
83.04988	10.4
83.08623	16.5
85.02906	21.2
85.06501	2.3
87.04443	1.0
91.03434	0.9
91.03957	12.6
91.04924	1.3
91.05482	27.9
93.07047	56.0
95.04967	8.0
95.08611	43.2
96.04456	1.1
97.02329	1.1
97.02897	12.8
97.06525	5.2
97.10176	5.8
98.21486	0.7
99.04462	3.6
99.08062	1.1
105.04512	1.3
105.06316	1.0
105.07034	20.4
107.04955	7.0
107.08598	30.5
109.02843	1.1
109.06515	6.2
109.10159	17.0
111.04417	2.6
111.08051	3.0
113.09689	0.7
114.86944	0.7
115.05466	1.5
117.06261	0.8
117.07022	11.6
119.08585	18.8
121.06512	5.0
121.10149	24.4
123.08071	7.6
123.11713	6.2
125.05962	1.7
125.09641	4.2
127.03931	4.8
129.06976	2.9
130.07735	1.9
131.08574	13.6
133.09264	0.9
133.10138	10.9
135.08032	1.7
135.11694	23.6
137.09579	2.1
137.13217	1.3
140.61887	0.7
143.08528	2.3
145.04987	5.3
145.06464	1.4
145.10124	23.0
147.08043	2.8
147.11693	6.5
149.09615	1.5
149.13263	7.5
151.11134	1.0
153.12788	3.7
155.08594	1.6
157.10083	1.9
159.07834	0.7
159.11699	7.5
161.13242	5.2
163.06024	5.4
163.11191	24.1
163.14821	3.8
165.12749	0.9
171.11678	2.4
173.09586	3.6
173.13240	6.3
175.14818	2.4
177.16402	1.5
181.12241	3.3
185.13356	0.9
187.14810	3.4
189.11214	2.9
191.10684	2.7
193.12274	2.0
195.27400	0.7
197.13315	0.8
199.13176	0.7
201.16339	1.3
209.11693	6.3
211.13217	1.7
227.12759	10.7
233.22647	0.9
241.19472	1.2
243.21098	6.3
259.20505	2.2
261.22131	21.2
267.15979	2.3
268.16223	0.9
277.66946	0.8
283.15414	99.4
284.15591	1.9
285.17105	0.8
299.23743	6.5
314.27866	0.9
315.23111	0.7
317.24698	5.7
333.24216	2.2
335.25815	100.0
336.26093	2.8
373.27432	0.8
379.93326	0.7
415.30103	1.1
423.32349	0.8
433.31003	2.2
451.31924	3.0
469.33078	2.4
487.34235	1.4
515.37537	1.4
517.35345	0.9
525.35828	7.7
543.36847	94.3
544.37085	3.7
561.37665	5.1
568.51910	0.9
934.50000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.1
66.61602	0.4
67.05510	31.7
69.03391	1.5
69.07073	9.2
69.39857	3.4
71.04952	1.8
73.02882	1.3
77.03898	0.8
79.05499	26.9
80.05812	0.4
81.03436	2.4
81.07062	31.0
83.04993	2.8
83.08626	7.6
85.02906	2.9
85.06536	1.1
91.03928	1.5
91.05487	13.0
93.07050	38.9
95.04989	4.4
95.08612	39.4
97.02358	0.4
97.02890	3.2
97.06537	3.3
97.10143	1.9
99.04458	2.2
99.08063	0.8
105.07036	9.8
107.04317	0.4
107.04960	4.6
107.08605	24.7
109.06505	1.9
109.10159	9.7
111.08054	1.5
115.05395	0.6
117.03751	0.5
117.07023	6.0
119.07834	0.7
119.08594	10.0
121.06503	3.7
121.10152	14.7
123.08054	1.1
123.11732	2.5
125.05955	1.8
130.07767	1.2
131.08588	4.2
133.10144	5.5
135.08031	1.4
135.11699	34.4
137.09523	0.5
137.13268	0.7
139.07483	0.8
143.08572	0.8
145.04970	0.6
145.10130	20.6
147.11674	2.1
149.13235	2.8
151.81319	0.4
153.12723	1.1
155.08521	0.5
157.10188	0.6
159.11671	1.8
161.13271	2.1
163.05934	1.0
163.11185	37.8
163.14827	1.2
164.11383	0.6
169.04576	0.4
169.13715	0.4
173.13249	1.8
174.98508	0.4
175.14774	0.7
181.12247	5.9
187.14772	0.5
198.48906	0.4
209.11726	1.5
227.12799	45.4
228.13141	0.6
243.21054	2.2
261.22177	7.4
283.15414	55.2
284.15710	1.3
317.24838	2.0
335.25818	100.0
336.26132	3.0
529.91980	0.5
543.36847	95.1
544.37164	5.2
561.37457	0.9
705.40936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54056	0.7
65.03931	1.8
67.05507	33.9
67.58302	0.8
69.03426	2.3
69.07070	8.8
69.24353	1.6
69.24756	6.6
71.04988	1.7
71.08636	1.0
73.02909	1.0
73.06543	0.9
77.03975	0.9
79.05494	43.2
81.03429	5.3
81.07059	36.7
83.04965	5.9
83.08632	3.6
85.02899	4.6
85.06532	1.5
87.04458	0.8
87.41164	0.7
91.03954	2.8
91.05485	29.5
93.07047	45.7
95.04980	8.5
95.08609	26.8
97.02893	2.6
97.06537	3.0
97.10177	2.8
98.21536	1.5
99.08115	1.1
101.93117	0.6
105.04512	2.3
105.07031	22.9
106.07372	0.7
107.04959	2.9
107.08595	16.8
109.06556	3.4
109.10167	7.3
115.05440	0.9
117.07031	5.1
119.08587	15.9
121.06549	1.3
121.10149	10.2
123.08081	3.5
123.11714	2.0
128.06239	1.2
129.07004	9.1
131.08559	4.4
133.06448	0.8
133.10136	8.0
135.08061	1.1
135.11688	5.2
141.06943	0.7
143.08572	4.6
144.09109	0.7
145.10135	7.4
147.08070	1.5
147.11691	22.8
147.69221	0.7
149.13242	2.2
159.11687	2.2
161.09622	1.9
161.13237	8.2
163.14822	1.3
169.10144	1.3
171.11687	13.6
173.13306	1.4
175.14897	0.9
184.07410	0.7
189.12854	4.1
207.13821	15.9
243.21060	1.4
261.22186	4.5
265.18054	0.8
279.15955	2.7
281.17477	55.0
282.17737	1.1
303.85089	0.8
313.27200	1.2
317.24628	1.4
335.25812	39.2
336.26285	1.0
426.27722	0.7
449.33502	1.0
523.38818	1.6
541.38910	100.0
542.39355	5.5
559.39862	2.5
647.94189	0.8
675.67017	0.9
756.47516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72005	0.3
65.84388	0.3
67.76710	0.3
68.99791	1.0
69.03444	4.1
69.37180	0.6
69.37589	2.3
71.04987	0.7
73.02903	0.9
78.04750	0.4
81.03422	7.1
85.02908	5.5
87.00854	2.6
89.03922	4.6
91.03953	0.5
93.07022	0.4
97.02911	2.4
99.04472	1.6
105.01881	1.1
109.02893	4.0
111.00796	0.4
117.01846	0.5
117.03388	12.7
121.02851	0.5
127.03923	5.9
129.01880	0.4
134.03612	0.7
135.04427	1.4
137.02354	4.6
137.05988	0.6
145.02861	36.6
145.04887	1.6
147.02972	0.4
147.04405	0.7
149.02386	0.5
149.05980	4.3
153.00784	0.4
153.01837	2.2
159.02954	1.9
163.03899	1.8
165.01900	0.9
177.05484	100.0
178.05853	1.5
183.02916	0.4
186.05486	0.8
191.03374	0.4
195.06581	0.7
195.17987	0.3
201.05493	0.8
219.06458	0.4
227.93182	0.3
229.05054	2.2
230.98650	0.4
231.04932	0.4
257.04407	1.8
261.07672	0.9
285.03989	0.5
303.05014	58.5
304.05298	1.5
321.09695	5.0
339.10791	6.8
345.06021	1.3
411.07233	0.5
425.10590	0.6
505.79874	0.3
601.45935	0.4
641.15393	0.4
721.44537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	2.1
75.07005	2.2
80.55420	2.2
83.60544	2.0
85.02905	2.5
97.02902	3.1
97.57865	2.3
101.00883	13.1
103.61477	2.1
111.89059	2.1
113.00874	3.8
119.01926	24.3
127.02405	9.0
131.01909	9.6
131.21527	2.3
143.00836	3.8
143.01891	30.4
145.03471	29.4
155.01894	21.3
157.03459	7.4
159.05063	7.4
159.50960	2.7
161.02957	26.2
163.04321	2.4
167.01900	14.9
169.03490	41.4
171.01337	2.1
171.05048	10.5
173.02988	27.0
179.01875	5.3
181.03458	6.1
185.02939	41.2
187.04546	42.7
189.02408	5.6
191.55853	2.0
197.02934	23.3
199.04501	9.2
203.04047	13.6
211.04547	7.8
213.02484	8.4
215.03969	16.8
221.05058	4.1
224.49806	2.4
227.03976	13.5
229.05551	3.1
231.03545	15.4
237.54166	2.7
241.05533	2.2
245.02586	4.9
245.05093	100.0
246.05353	5.0
247.04941	3.4
257.01428	2.6
257.05075	5.3
263.06213	14.0
271.06625	6.5
275.02499	36.1
275.06104	49.9
287.02396	8.7
287.05975	6.7
293.03406	6.1
293.07068	6.1
305.03806	5.5
305.07156	14.9
335.04620	5.3
335.08252	10.7
359.04605	5.4
365.09332	28.3
377.05441	15.8
395.06641	30.3
425.11395	28.2
455.12418	3.2
485.13525	3.4
539.10925	3.5
557.11719	77.9
813.22974	2.4
875.04376	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	888.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67306	0.5
65.03918	1.9
67.05509	53.5
69.03402	2.0
69.07076	16.3
70.76072	1.4
71.05004	3.7
71.08612	1.3
73.02892	2.7
77.03873	0.7
79.05499	35.7
81.03385	1.8
81.07061	58.8
83.04984	4.1
83.08630	8.9
85.02915	8.9
85.06547	2.8
91.03494	0.6
91.03956	6.1
91.05485	18.6
93.07050	51.7
95.04962	3.3
95.08614	28.9
96.04409	0.6
97.02920	4.7
97.06548	7.3
97.10133	1.9
99.08054	2.0
105.04483	1.6
105.07039	10.1
107.08605	27.0
109.06490	1.3
109.10165	9.3
111.08105	4.2
113.09605	1.0
117.07020	4.8
119.08594	7.4
121.10149	17.4
123.11723	3.7
125.09595	1.0
127.03923	1.6
129.06982	1.1
131.08571	8.8
133.10138	8.7
135.08073	0.8
135.11694	9.5
139.11127	1.2
143.08607	0.7
145.04945	2.1
145.10156	3.8
147.11729	4.7
149.13274	22.5
151.11128	0.9
159.11700	10.5
161.13184	1.7
163.06017	1.7
163.07460	0.5
163.14818	1.5
173.13283	1.8
175.14810	0.8
177.12773	4.0
177.16353	0.8
185.20473	0.6
187.14795	1.4
192.97084	0.6
195.13802	7.2
201.16452	0.6
213.14822	0.9
243.21016	3.0
261.22141	10.0
267.15948	2.5
269.17487	100.0
270.17865	2.9
317.24826	3.3
335.25827	52.9
336.26181	1.6
358.10635	0.6
435.30490	0.8
437.34253	1.8
455.34714	0.7
481.34753	0.7
511.37796	1.3
529.38928	96.9
530.39478	5.6
547.40155	2.2
847.83936	0.7
888.50232	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	888.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.0
67.05506	57.2
69.03434	2.3
69.07066	15.2
70.84011	0.8
71.05000	4.5
73.02905	3.3
75.33841	0.8
79.05495	37.1
81.03410	3.0
81.07056	65.2
83.04978	2.8
83.08619	9.7
85.02913	11.5
85.06548	2.6
86.15203	0.7
87.04466	0.8
91.03971	6.2
91.04909	1.3
91.05481	22.8
91.06032	1.5
93.07043	42.0
95.04957	2.6
95.08608	32.4
96.04525	0.8
97.02892	7.6
97.06524	5.1
97.10188	2.5
99.06523	0.8
99.08093	2.4
105.04550	0.9
105.07029	11.4
107.08601	25.5
109.06515	1.5
109.10155	11.9
111.08083	3.2
111.11715	0.9
113.09729	0.9
117.07017	6.6
119.08577	8.2
121.06541	1.6
121.10150	16.1
123.08062	0.9
123.11695	6.1
125.09647	1.1
127.03938	2.2
129.06969	1.5
131.08571	9.7
133.10139	12.0
135.08076	1.6
135.11690	11.9
137.13321	1.2
143.08553	1.4
144.09302	0.8
145.04962	3.1
145.10103	5.3
147.11700	4.5
149.09601	1.0
149.13274	10.9
151.11151	1.1
157.10161	1.0
159.11697	7.2
161.13277	3.3
162.80074	0.9
163.06030	2.1
163.14882	1.1
171.11710	1.3
173.13283	2.7
177.12801	2.5
177.16147	0.7
182.60596	0.7
185.13306	0.8
187.14886	2.1
195.13814	8.0
199.14949	1.0
213.14825	1.4
229.14474	1.1
243.21133	2.6
261.22134	7.6
269.17471	46.1
317.24649	1.3
335.25790	77.7
336.26178	3.1
387.26102	0.9
418.72604	1.0
437.34341	1.3
455.35260	1.2
473.36194	1.0
511.37924	2.0
529.38904	100.0
530.39270	5.3
547.39862	2.3
825.29669	0.9
888.50568	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	3.4
67.05507	47.1
69.03425	4.6
69.07076	11.0
71.04991	3.4
71.08607	1.6
73.02932	5.9
79.05493	31.8
81.03418	72.7
81.07055	48.9
83.04970	4.8
83.08163	1.5
83.08624	20.8
85.02906	23.4
91.03958	15.4
91.05482	27.6
93.07047	34.4
95.04977	23.4
95.08001	1.9
95.08605	36.8
97.02881	14.3
97.06519	3.1
97.10172	7.3
99.04488	1.2
99.08047	1.4
103.05503	1.0
105.07029	25.4
107.04968	5.8
107.08604	24.7
109.06524	3.9
109.10156	17.8
111.04444	1.7
111.08101	5.5
115.03952	1.2
115.05453	2.8
115.52773	1.2
117.07005	4.7
119.04935	1.6
119.08575	21.2
121.06494	4.8
121.10151	18.4
123.04420	2.8
123.08043	3.0
123.11705	6.4
125.09615	4.9
126.18916	1.1
127.03912	4.4
129.07014	9.3
131.04895	1.3
131.08568	15.3
133.06473	3.8
133.10149	12.7
135.08066	2.2
135.11697	12.3
142.07729	2.8
143.08565	2.5
145.04982	9.7
145.06535	1.3
145.10144	8.1
147.08052	3.3
147.11679	12.6
149.09593	4.8
149.13249	5.9
155.08528	2.0
157.10138	8.7
159.11690	6.1
161.09575	1.6
161.13269	3.1
163.06018	10.8
163.11169	2.5
163.14841	2.3
169.76727	1.2
171.11626	2.0
173.13260	6.9
175.11194	7.9
175.14796	1.9
177.12839	1.9
177.16400	1.6
185.13281	1.7
187.14873	2.8
189.11177	3.9
189.12708	1.8
193.10492	1.4
193.12262	21.3
201.16447	1.8
212.10866	1.1
218.16115	1.0
227.12791	7.3
235.13306	2.6
242.09424	1.2
243.20996	5.4
249.14906	3.3
259.13177	2.3
261.22171	16.1
267.15930	100.0
273.14795	1.9
299.23520	1.8
301.14374	2.8
301.25153	5.5
309.16989	5.3
317.24918	3.4
319.15305	1.2
333.24356	1.2
335.25809	82.9
336.26187	2.6
348.86868	1.3
403.24332	1.5
421.25903	2.6
435.27307	1.8
435.32715	4.1
449.29086	1.4
453.33716	8.3
460.11951	1.4
471.34586	2.5
527.37360	51.8
528.37738	2.4
545.38409	36.6
569.38281	9.4
611.39349	1.6
623.38873	2.5
635.39142	3.2
653.39899	1.7
762.74542	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.3
66.75579	0.6
67.05508	13.3
67.81039	0.5
69.03433	2.9
69.07071	3.3
71.04972	2.3
71.49035	0.7
73.02895	1.3
79.05498	15.0
81.03423	66.2
81.06609	0.9
81.07056	14.8
83.04582	0.6
83.04989	7.3
83.08624	16.4
85.02905	10.7
85.06537	1.1
91.03948	1.4
91.05486	20.5
93.06512	0.7
93.07048	10.8
94.47884	0.6
95.04972	21.3
95.08607	5.6
96.08821	0.6
97.02867	2.4
97.06527	2.8
97.10166	5.0
98.88266	0.5
101.19380	0.6
105.07043	13.9
105.07716	0.6
107.04958	6.4
107.08598	5.6
109.02882	0.6
109.06512	4.4
109.10188	3.4
111.04396	1.9
111.08078	5.6
113.05968	0.9
115.05444	1.0
115.31445	0.6
117.07012	2.5
119.04926	1.6
119.08586	13.1
119.27141	0.6
121.06516	3.3
121.10168	7.1
123.04375	1.2
123.08044	2.6
125.09662	3.5
127.03873	1.1
129.07008	9.9
131.04926	1.8
131.08586	9.4
133.06488	3.3
133.10126	6.8
135.04393	0.6
135.08015	1.2
135.11694	1.1
137.05994	1.3
137.09613	2.0
142.07793	3.0
143.08604	1.4
145.06497	4.9
145.10077	2.4
147.04355	0.6
147.08063	2.8
147.11691	9.5
147.90015	0.6
149.09633	4.9
153.09009	0.8
157.06555	0.6
157.10121	9.7
157.80356	0.6
159.08034	0.8
159.11679	1.0
161.05995	0.7
161.09619	0.9
163.03906	0.7
163.06006	1.2
163.11148	1.6
165.12750	2.1
167.07013	0.7
167.08472	0.6
169.10240	0.7
171.07994	1.5
171.11560	0.7
175.07584	0.6
175.11194	10.8
183.08109	1.0
185.13290	0.6
187.11125	0.7
189.11191	0.9
189.12756	1.0
191.07104	1.3
193.12256	28.3
195.11594	1.1
197.13312	1.2
205.12256	1.2
211.11412	0.7
211.13286	12.7
223.13234	1.0
227.14459	0.8
229.14349	1.2
233.15411	1.0
235.13222	0.8
243.13823	0.7
249.14806	1.7
255.13901	2.1
267.15927	100.0
268.16281	1.6
273.14804	4.8
285.17007	11.8
336.73846	0.7
339.23279	1.4
341.21240	1.2
349.21814	2.8
357.24191	1.2
367.22751	8.3
385.23700	8.7
403.24799	2.2
405.24530	1.0
415.24725	0.8
433.25870	17.3
434.26138	1.0
441.26245	5.5
459.27438	85.0
460.27811	2.7
477.28506	48.5
478.28659	1.8
491.30164	1.4
501.28378	1.7
509.31198	1.0
519.29260	2.9
543.29333	1.2
573.30768	1.0
573.87439	0.7
585.30701	1.9
603.31470	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05188	1.8
67.05510	23.8
69.03416	2.4
69.07068	14.3
69.60315	7.2
69.60724	2.5
71.04987	2.5
71.08635	19.7
71.62621	1.3
73.02898	3.0
76.98358	1.2
79.05503	9.5
81.07062	62.0
83.04974	5.3
83.08618	11.7
83.64499	1.2
85.02517	1.1
85.02914	10.8
85.06528	4.4
85.10194	11.7
87.04465	3.2
89.06014	1.2
91.03966	6.0
91.05494	16.7
93.07053	11.0
95.04945	2.1
95.08611	28.1
97.02866	6.1
97.06528	5.6
97.10191	4.0
99.08075	3.2
101.06048	1.6
101.88904	1.1
105.07042	21.8
107.08585	10.5
107.98231	1.4
109.06490	4.1
109.10185	8.0
111.08096	1.4
111.11668	1.9
115.03965	1.2
119.08585	21.0
119.19771	1.2
121.10151	14.9
121.86284	1.1
123.08064	3.2
123.11717	26.5
127.03905	2.5
127.07557	2.5
129.06995	1.2
131.08546	1.6
133.10141	1.8
135.79709	1.3
137.13268	4.1
141.09091	1.3
145.04968	1.5
145.27141	1.2
147.11699	52.6
157.10118	2.9
163.05974	2.7
165.12758	18.8
175.11165	2.7
183.13855	2.4
184.07310	1.9
193.12105	1.6
202.48967	1.3
229.14337	3.5
239.23665	1.9
251.91264	1.3
257.24686	2.9
267.15933	88.7
285.16983	88.5
286.17236	2.5
313.27380	98.3
314.27713	3.1
523.39978	100.0
524.40088	4.8
593.22681	1.3
887.22754	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93168	0.5
65.03919	0.7
66.16907	0.5
66.35077	0.5
67.05510	17.1
69.03432	3.0
69.07076	8.2
71.05001	2.7
71.08635	16.7
73.02915	2.4
79.05500	13.6
81.03420	36.5
81.07059	22.4
83.04989	8.7
83.08623	19.5
83.09126	1.0
85.02911	24.6
85.10185	9.4
89.06049	1.1
91.03945	5.5
91.05482	17.1
91.06030	1.1
93.07047	9.6
95.04977	13.2
95.08611	18.1
96.04480	0.6
97.02892	6.5
97.06548	1.6
97.10172	4.2
99.04488	1.1
99.08113	0.7
103.07602	0.6
105.04541	0.7
105.07040	12.3
107.04959	3.8
107.08607	4.7
109.06532	3.2
109.10159	6.4
111.04452	1.6
111.08093	5.9
111.11726	0.7
113.06030	1.5
115.05450	0.9
117.06976	0.7
119.08583	12.1
121.06514	0.6
121.10136	5.8
123.08057	1.8
123.11714	2.8
125.09654	0.9
127.03954	2.5
129.07002	6.0
131.08585	6.6
133.06511	1.3
133.10141	5.5
135.11711	0.7
137.09625	1.0
137.11543	0.5
137.13264	0.7
142.07813	2.1
145.04970	1.8
145.10176	1.5
147.08069	1.5
147.11694	8.6
149.09612	3.5
157.10161	8.1
163.06018	2.3
164.69815	0.6
165.12775	2.3
175.11209	9.5
193.10440	0.9
193.12253	25.7
211.13298	42.5
212.13695	0.6
239.23683	0.9
249.14867	0.8
257.24753	1.7
267.15936	17.4
278.37286	0.5
285.16977	59.4
286.17227	0.9
313.27368	60.7
314.27673	1.7
337.16299	0.7
401.85828	0.6
505.38925	12.5
506.39679	0.8
523.39972	100.0
524.40338	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	882.542
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.4
67.05507	14.1
69.03436	2.1
69.07071	7.3
69.91240	1.6
70.02140	0.3
71.04963	1.4
71.08634	18.6
73.02910	2.4
73.05643	0.4
79.05495	10.2
79.21530	0.4
81.03420	27.7
81.07059	20.0
83.04986	6.4
83.08621	17.7
83.09118	1.0
85.02908	18.0
85.06504	1.4
85.10185	9.9
87.04447	0.8
89.05999	1.1
91.03956	5.2
91.05485	14.0
93.07048	7.6
95.04973	12.4
95.08611	17.2
97.02895	5.7
97.06486	1.5
97.09661	0.4
97.10170	4.5
99.04433	0.7
99.08033	0.4
99.11697	0.8
99.58013	0.4
103.07580	1.0
105.07034	10.5
107.04959	3.5
107.08570	2.9
109.06528	2.5
109.09487	0.5
109.10162	7.2
111.04399	1.5
111.08101	5.5
111.11670	0.5
113.05964	1.5
115.05425	0.7
119.08585	9.2
121.06478	0.9
121.10155	4.2
123.08046	1.3
123.11725	4.3
125.09592	0.6
127.03870	1.8
129.07010	5.4
131.08572	5.1
133.06462	1.4
133.10132	5.9
137.09604	0.6
137.13199	1.2
142.07774	0.8
145.04987	2.0
145.10100	0.9
147.08009	1.4
147.11681	8.4
149.09630	2.4
157.10143	7.6
162.11317	0.4
163.06000	2.1
163.11099	0.8
165.12711	1.2
175.11212	6.8
184.07306	0.9
193.10455	0.7
193.12244	21.7
211.13303	23.2
239.23697	1.9
257.24686	1.9
267.15930	11.4
285.16965	33.8
286.17383	0.7
292.28888	0.4
313.27374	69.7
314.27731	1.7
427.96375	0.5
496.20331	0.5
505.38919	15.0
523.39960	100.0
524.40234	4.2
776.97272	0.5
810.15118	0.4
905.22021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	4.9
67.05183	1.0
67.05508	10.8
69.03423	2.8
69.07066	16.5
71.01340	0.7
71.04982	2.5
71.08629	4.1
71.50863	1.0
73.02934	1.4
79.05503	10.4
81.03417	24.5
81.07056	12.7
83.04980	5.9
83.08623	23.4
83.25555	0.6
85.02908	16.3
85.06545	1.1
85.10175	1.5
86.09711	3.2
91.03962	4.8
91.05480	12.6
93.07049	8.0
95.04970	9.9
95.08611	7.0
97.02906	5.8
97.06532	2.0
97.10168	11.7
98.20822	0.6
99.04492	0.7
105.07019	9.9
107.04964	2.6
107.08601	3.4
109.06503	1.8
109.10136	2.3
111.04430	1.1
111.08083	4.8
111.11723	2.8
113.06050	0.9
113.15489	0.5
115.86715	0.8
117.06969	0.6
119.08598	8.0
121.06544	0.7
121.10155	4.3
123.08028	1.3
123.11734	1.4
124.99975	1.4
125.09569	1.0
127.03921	1.9
128.06187	0.6
129.07050	3.5
129.47386	0.7
131.08569	4.8
133.06477	1.5
133.10100	4.1
135.11691	2.1
137.09602	1.1
142.07741	0.9
145.04999	1.1
145.10147	0.9
147.11676	7.5
149.09634	2.2
157.10141	5.9
163.06020	1.0
163.11154	0.9
165.12737	1.1
175.11195	7.3
184.07307	5.4
193.12250	15.6
211.13278	18.6
237.22195	1.0
267.15921	10.5
285.16962	30.7
311.25793	37.6
312.26184	0.8
503.37329	10.8
521.38397	100.0
522.38531	3.9
552.67822	0.7
698.05133	0.7
854.54791	0.7
880.47717	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	7.6
61.18368	0.3
65.03909	0.3
66.07336	0.3
67.05508	8.6
69.03441	2.2
69.07074	4.4
71.01337	0.6
71.04993	1.6
71.08633	11.6
73.02920	2.6
74.34229	0.3
76.37212	0.3
79.05495	8.1
81.03006	0.4
81.03412	5.0
81.07056	12.5
83.00926	0.4
83.01345	4.1
83.04981	5.3
83.08621	9.6
85.02906	11.6
85.06519	0.4
85.10191	8.0
89.06008	1.0
91.03957	6.0
91.05482	5.0
93.07047	11.0
95.04976	2.9
95.08611	12.9
96.95657	0.3
97.02890	5.9
97.06532	2.3
97.10171	2.7
99.04464	1.6
103.05450	0.4
103.07532	0.8
105.07030	4.4
107.04966	3.6
107.07911	0.4
107.08594	6.1
109.02872	0.4
109.06517	3.5
109.10162	5.0
111.04404	1.0
111.08057	0.7
111.11677	0.9
115.03905	0.6
117.07016	3.7
119.08595	3.6
121.06509	1.7
121.09504	0.3
121.10149	3.5
123.08064	4.9
123.11661	1.5
125.05928	0.6
125.09593	0.6
127.03927	2.3
129.05522	0.5
129.06978	0.7
130.07796	0.6
131.04913	0.4
131.08548	1.2
133.10086	1.1
135.08023	1.0
135.10724	0.5
135.11687	5.7
137.09596	0.8
137.13278	0.6
139.07495	0.5
142.50696	0.3
143.08531	0.4
145.04959	3.1
145.10120	7.6
147.07990	1.0
147.11719	0.4
149.09642	0.5
153.12738	0.9
155.08521	1.1
163.06023	3.0
163.11180	13.1
165.48257	0.3
173.09621	1.7
181.12257	1.8
184.07288	0.5
191.10622	1.6
209.11765	3.6
227.12885	2.1
239.23688	1.4
257.24631	1.0
283.15405	100.0
284.15729	2.4
313.27368	72.1
314.27606	1.7
472.70496	0.3
521.38403	52.8
522.38818	2.1
692.40375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.5
65.03905	0.8
67.05510	13.1
69.03419	1.4
69.07069	8.4
70.08937	1.2
70.09347	1.6
70.10663	0.6
71.04960	1.2
71.08635	16.9
73.02890	2.4
79.05499	13.8
79.38547	0.6
81.03448	2.9
81.07059	18.7
83.01306	1.1
83.05007	2.8
83.08624	10.2
85.02909	6.5
85.06508	0.9
85.10186	10.9
89.06021	1.1
91.03963	3.9
91.05485	4.7
93.07045	21.7
95.04974	3.6
95.08614	30.5
97.02325	0.6
97.02895	4.7
97.06544	2.8
97.10155	4.1
99.04424	2.6
103.07544	1.0
105.07028	5.1
107.04966	5.1
107.07912	0.9
107.08598	16.7
109.06544	1.4
109.10159	8.4
111.04407	1.6
111.08069	1.1
111.11713	1.2
117.07008	5.5
118.08218	0.7
119.08598	7.0
121.06519	4.5
121.10156	8.2
123.08036	1.1
123.11674	2.4
125.05958	2.1
127.03854	1.1
130.07765	1.0
131.08553	0.8
133.10106	1.4
134.07182	0.6
135.08040	1.5
135.11694	30.7
137.13216	1.0
139.07504	1.3
143.08527	0.7
144.80301	0.6
145.04950	1.7
145.10129	20.5
147.07996	0.6
153.12770	1.0
163.05989	0.9
163.11183	46.2
164.11559	0.9
173.09644	1.3
181.12245	8.6
209.11777	1.7
209.54510	0.5
227.12791	45.9
228.13081	1.2
239.23683	1.6
257.24774	2.0
267.16028	0.8
283.15411	90.4
284.15704	2.4
313.27377	90.2
314.27814	2.7
436.03159	0.6
521.38416	100.0
522.38550	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	874.515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	5.7
65.03925	1.6
65.62834	0.9
66.30409	0.7
67.05508	44.1
69.03424	1.7
69.07070	10.5
69.73352	4.6
71.01337	1.6
71.04984	3.3
71.08590	0.8
73.02918	1.1
77.12395	0.7
77.56238	0.7
77.89716	0.7
79.05495	38.1
81.03419	3.7
81.07060	33.8
83.04984	6.8
83.08646	4.3
85.02915	5.5
85.06535	2.3
91.03944	3.1
91.05486	17.0
92.37456	0.8
93.07046	43.6
95.04948	2.5
95.08608	22.0
97.02884	2.6
97.06525	6.2
97.10170	5.9
99.04449	1.5
99.08104	1.0
105.04527	1.4
105.07031	11.4
107.04969	1.0
107.08596	28.0
107.09312	1.6
109.02894	0.9
109.06500	1.3
109.10152	10.9
109.40546	0.9
111.08083	2.1
117.07013	4.6
119.08575	9.5
121.06480	1.4
121.10143	12.0
123.11686	2.5
127.03878	1.7
131.08568	5.4
133.10136	6.3
135.10715	1.5
135.11697	29.3
145.04991	1.3
145.09157	1.2
145.10127	7.6
147.11716	4.4
149.13232	4.3
153.12772	2.2
159.11725	1.8
161.13255	2.5
163.11223	3.8
163.14812	1.1
173.13252	2.4
175.14745	1.0
181.12215	6.1
184.07318	1.8
187.14813	2.1
243.21118	3.3
255.15926	47.9
256.16129	1.3
261.22171	9.0
317.24619	1.8
335.25821	37.5
336.26132	1.8
423.32333	2.6
441.33548	1.2
489.58755	0.9
515.37354	100.0
516.37329	4.3
533.38086	2.3
772.30237	0.9
874.43213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.431
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	17.5
69.03394	1.2
69.07070	7.2
69.99719	4.4
70.95872	6.0
71.08636	9.4
71.92992	1.8
72.93787	18.0
74.95329	1.7
79.05503	6.5
81.03429	6.4
81.07060	15.6
82.14290	1.3
83.08619	3.9
85.10188	6.5
86.95345	1.4
88.96909	1.9
89.94027	1.5
90.94815	8.4
91.05489	6.7
93.07049	10.2
95.08611	17.3
97.10149	2.8
98.20873	1.6
100.96908	2.1
102.94801	4.3
104.96365	2.1
105.07005	3.0
107.08578	4.3
109.10178	6.5
114.94852	1.2
116.96351	5.7
117.07008	2.7
118.94226	1.3
119.08578	2.1
121.10155	3.2
123.11662	1.6
126.98399	5.2
128.96346	7.1
130.97920	3.5
131.08601	1.8
132.95850	24.9
133.10109	1.1
134.97386	1.8
135.11676	1.7
136.93137	3.1
140.96324	3.3
144.95813	12.0
144.99474	3.6
146.97395	12.8
148.99016	1.4
150.96866	5.1
151.02100	1.4
154.94193	3.9
154.97861	3.0
155.97485	2.2
156.95862	4.2
158.97418	14.6
162.96883	3.8
164.98474	37.1
164.99844	1.9
165.97052	1.7
166.97832	1.7
168.95821	1.6
170.97385	12.1
172.95229	2.9
172.99004	3.1
174.96921	3.0
175.02100	1.2
176.98436	4.2
178.97935	1.7
179.05083	1.3
180.95891	1.3
180.99504	2.4
182.97363	4.4
184.98953	5.0
188.00049	1.9
188.98430	7.2
189.03606	2.2
191.00046	1.8
196.92036	2.7
196.98961	2.1
198.96895	46.9
200.98497	5.8
202.99995	2.4
204.97937	1.5
206.99493	9.4
213.03732	1.5
213.19873	1.2
214.93071	5.2
214.96405	1.2
215.00021	1.8
216.97961	10.0
218.99536	6.1
221.53723	1.2
221.98511	1.3
222.93555	1.7
223.04152	1.8
227.05270	2.0
230.99515	8.6
233.01094	11.0
237.05800	1.5
239.99547	2.5
240.05965	1.3
240.94377	1.3
241.05031	2.0
243.06810	2.0
245.00989	3.6
252.94527	2.1
254.99486	2.3
255.06841	3.0
255.52667	1.2
257.24689	2.4
262.93094	28.9
265.08923	1.7
270.95712	6.4
273.00583	4.9
278.09439	1.7
279.08215	1.6
280.94159	15.9
281.09857	5.4
283.11633	1.8
285.94608	2.5
294.95618	2.2
298.95215	28.3
298.98245	1.5
303.95663	2.4
305.12143	1.2
307.13425	1.4
309.15076	2.2
312.96695	5.3
313.27371	52.0
314.27597	1.3
317.17740	2.0
318.95654	2.7
321.96747	2.6
327.16107	3.7
329.11890	7.3
329.17728	12.3
331.13388	11.0
333.15112	100.0
334.15347	3.8
335.19650	1.4
335.25833	33.5
336.96762	9.5
347.18723	4.3
351.16086	1.7
354.97812	17.2
372.98859	40.9
385.20535	2.9
407.18835	17.2
414.01523	3.7
445.22293	1.4
449.19934	2.5
501.16144	1.6
517.21918	1.8
519.17120	1.5
537.17957	1.8
573.48828	6.2
575.19257	2.4
593.20856	16.6
597.17676	2.1
611.12048	2.5
611.21844	51.0
612.21631	2.4
615.19214	35.0
616.19031	1.9
633.20282	46.9
634.20807	1.7
645.41241	2.5
652.24127	4.2
871.44714	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	869.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	11.7
63.49080	4.9
65.03951	6.4
67.05511	90.1
68.62299	3.9
69.03436	33.2
69.07070	22.1
69.41015	13.9
69.41441	18.3
71.04977	10.1
73.02888	5.1
79.05501	86.7
81.03425	100.0
81.07067	76.7
83.04996	29.9
83.08618	26.7
85.02921	26.3
85.06535	6.8
91.03969	8.4
91.05484	68.2
93.07050	82.8
95.04977	31.0
95.08626	60.5
97.02898	34.0
97.06522	8.0
97.10172	10.7
99.04482	8.2
105.07049	44.7
107.04964	11.6
107.08597	39.1
109.02899	17.1
109.06496	11.4
109.10168	25.5
111.04433	12.0
111.08069	15.6
117.07022	16.2
119.08601	40.2
121.06522	8.6
121.10137	39.5
123.11723	9.2
127.03927	20.5
129.05478	7.5
129.06998	10.9
131.08586	28.6
133.10156	28.6
135.08116	6.0
135.11699	19.4
143.08563	6.5
145.04962	6.2
145.10123	18.3
147.08037	7.3
147.11691	31.4
149.09642	11.0
149.13246	6.6
155.08588	5.7
157.10172	17.9
159.11714	11.3
165.12662	5.7
167.08597	5.4
171.11688	6.0
173.13264	11.3
175.11221	21.5
175.14857	5.5
181.06335	4.4
181.12282	7.5
185.13315	4.9
193.12234	45.5
197.05652	4.4
199.14787	4.7
211.13321	69.9
213.05421	5.0
227.12723	5.7
229.14340	5.2
238.60760	4.3
243.21153	5.9
256.26392	10.8
261.22168	11.0
267.15961	17.8
283.10120	4.4
285.16928	19.3
335.25842	71.4
355.15225	5.3
429.20941	13.3
527.37000	13.6
545.38330	94.5
546.38696	6.0
671.40631	7.1
689.41547	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.49
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	10.4
63.55582	4.1
65.03933	7.1
65.91968	4.3
67.05509	77.5
69.03426	31.7
69.07065	18.8
70.06581	4.2
71.04986	7.6
73.02903	7.8
78.81406	4.1
79.05495	89.8
81.03426	100.0
81.07052	85.2
83.04971	29.7
83.08614	26.8
85.02923	32.2
85.06531	4.1
87.04420	5.8
91.03954	5.5
91.05486	48.7
93.07047	66.8
93.94785	4.1
95.04969	39.1
95.08609	57.5
96.08128	6.0
97.02904	32.6
97.06542	9.0
99.04433	5.0
101.02383	5.1
105.07040	41.6
107.04956	8.0
107.08578	37.7
109.02889	15.1
109.06515	6.7
109.10156	18.6
111.04444	11.3
111.08055	11.7
115.05388	7.2
115.89494	4.0
117.07014	13.3
119.08600	40.0
121.10143	31.7
123.08116	5.5
123.11749	5.8
126.71820	4.7
127.03905	20.1
129.07011	19.2
131.08565	23.6
133.06548	7.2
133.10153	22.4
135.11687	15.7
137.09628	4.6
143.08542	5.6
145.04965	5.7
145.10162	15.2
147.08031	7.9
147.11714	21.3
149.09622	12.2
149.13272	7.6
157.10175	8.6
159.11714	11.3
161.09625	4.4
161.13219	8.5
163.11136	5.7
171.11749	8.2
173.04529	9.0
173.05978	13.3
173.13257	8.0
175.11174	20.3
187.14795	4.3
193.12292	44.1
199.03929	6.4
211.13269	68.5
217.05023	12.8
218.77022	4.4
229.14392	4.9
229.59041	5.3
256.26303	11.2
261.22198	12.2
267.15994	16.7
285.16959	21.4
319.21716	4.3
329.13727	7.3
335.25790	69.5
355.15262	7.3
429.20505	19.2
492.24844	4.5
527.37140	14.7
545.38428	92.8
546.38580	5.7
671.41016	5.4
689.42914	27.0
707.42297	7.4
720.31812	4.8
737.23560	4.7
803.29095	5.0
869.45020	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	867.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.9
68.99792	8.3
70.88508	1.6
70.88846	2.1
77.03933	1.8
81.03421	1.0
83.04949	1.6
84.08589	1.0
85.02919	1.0
89.03944	2.1
91.05473	1.0
93.03427	4.7
95.04967	3.0
105.03435	1.5
107.04958	5.2
109.02883	2.1
111.00819	9.5
111.04461	10.9
115.05451	1.5
117.03381	2.3
119.04915	2.3
121.02862	2.1
123.04439	69.0
127.03926	72.3
127.50610	0.9
131.04938	2.7
135.04424	64.8
137.02351	5.0
137.05971	1.3
139.03909	59.0
145.02788	1.3
145.06523	1.0
147.04414	6.8
149.02301	8.3
149.05988	2.6
151.03917	20.5
153.01787	1.3
155.04889	1.4
157.06335	1.1
157.48825	1.0
159.04424	3.6
161.02322	1.5
161.06006	4.0
163.03915	59.1
164.04289	1.0
165.01836	1.3
165.05518	4.7
167.03415	3.3
169.04994	1.9
169.06500	1.2
173.05994	3.8
175.03957	3.2
177.05449	6.8
179.03424	7.6
181.05005	1.8
183.04459	1.8
185.06004	2.3
187.03842	8.0
189.01758	1.5
189.05516	3.4
191.03365	12.2
193.04962	3.6
194.36719	1.1
197.06000	3.5
199.03960	1.4
201.05489	9.1
203.03375	16.8
203.07092	2.6
205.05016	4.1
207.06471	1.0
211.03960	1.1
213.05496	3.9
215.03461	3.4
215.07095	3.1
217.04987	3.9
219.06464	1.5
223.02408	2.1
225.05402	2.1
227.06941	1.0
229.04938	11.2
231.02957	1.1
231.06485	4.6
233.04469	5.9
237.05476	1.1
239.06888	1.1
241.05003	3.3
243.06558	4.0
245.04471	100.0
246.04750	2.1
247.06039	60.2
248.06300	1.1
253.04942	3.5
255.06496	2.7
257.04471	17.6
258.05118	2.1
259.06046	15.2
261.07608	4.4
263.05573	1.2
269.04471	4.5
271.06000	24.1
273.03967	1.5
273.07440	1.3
274.04611	6.9
275.05499	27.1
281.04413	2.3
283.05997	10.6
285.03989	3.2
286.04666	1.4
287.05518	24.5
289.07068	31.3
289.10184	2.0
290.07047	1.1
291.08691	15.0
295.06055	1.9
297.04028	2.8
299.05524	4.7
301.07068	17.0
303.08710	2.2
309.03925	2.6
311.05521	2.0
313.07022	2.1
323.05527	2.3
331.08124	1.3
351.04895	4.1
361.07294	1.8
365.06454	2.3
379.08115	2.9
383.07687	4.4
389.06671	2.8
391.08054	2.6
393.05801	4.9
395.07751	1.5
396.08490	1.5
397.09204	10.8
405.05887	2.9
407.07617	29.8
408.07544	1.4
409.09253	24.6
410.09811	1.1
411.10883	2.6
419.07632	5.9
421.09183	3.3
425.08731	9.8
427.10251	14.7
433.09354	3.1
437.08643	11.3
439.10208	2.6
449.08731	2.9
451.10162	3.9
453.11835	1.8
517.11389	2.2
527.09454	1.4
535.12280	2.8
541.10626	1.8
545.10657	5.8
552.01453	1.1
559.12305	2.1
571.11993	1.5
579.15173	4.6
697.15503	3.8
715.15582	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.4
65.12627	0.8
65.68365	0.7
67.01883	1.2
67.05491	1.3
67.88375	0.7
68.99448	1.2
68.99795	10.7
69.88511	3.2
77.03939	1.1
78.14920	0.6
81.03415	5.0
82.38173	0.8
83.04983	1.6
85.02921	1.7
89.03902	2.2
91.05459	0.9
93.03405	2.9
95.04942	2.6
99.00845	0.8
99.04455	1.3
103.05490	1.8
105.03416	1.4
105.04498	1.2
107.04961	6.4
109.02878	4.4
111.00796	8.6
111.04443	7.6
115.05431	1.0
117.03400	1.9
119.04953	2.5
121.02891	2.2
123.04433	67.1
127.03922	100.0
128.04340	1.0
128.06238	0.8
131.04959	4.0
133.06546	0.9
135.04419	64.0
137.02397	5.2
137.03362	1.3
137.05975	1.0
139.03908	46.6
141.06976	1.2
143.04863	1.7
145.02887	1.7
145.06487	1.0
147.04399	6.7
149.02376	8.8
149.06010	2.7
150.03076	0.8
151.03905	15.3
153.05446	0.9
153.07091	0.9
155.04916	2.7
157.06435	1.0
159.04459	4.9
161.02248	1.4
161.05963	5.0
162.03156	1.1
163.03911	62.1
164.04384	1.0
165.01851	2.0
165.05507	4.7
165.06721	0.7
167.03400	6.9
169.04990	3.1
169.06485	2.6
173.06024	5.5
175.03897	4.7
177.05495	8.3
179.03410	8.2
181.05002	1.0
181.06497	1.4
183.04416	2.8
185.06015	1.9
187.03874	8.7
189.05461	4.1
191.03374	10.7
193.04919	1.7
197.05902	4.3
199.03830	1.0
201.05492	10.8
202.06258	0.8
203.03404	14.5
203.07091	2.1
205.04999	4.1
207.02850	1.3
207.06567	1.2
213.05472	4.3
215.03465	4.9
215.07072	3.1
217.04994	2.8
219.06557	1.2
221.04370	1.0
223.02390	1.4
225.05524	2.9
229.04984	12.7
230.05766	0.7
231.06599	3.0
233.04510	5.0
235.02464	1.0
237.05437	1.6
241.05013	3.8
243.02882	1.5
243.06516	5.9
244.03712	1.6
245.04469	73.6
246.04837	1.0
247.06024	54.4
248.06496	1.0
253.04968	3.3
255.06516	4.6
257.04495	13.6
258.05200	2.0
259.05954	10.8
261.07623	2.6
263.05566	2.1
265.04950	1.6
267.06436	0.9
269.04355	4.9
271.06003	30.0
273.03958	0.8
273.07550	1.7
274.04718	4.2
275.05490	24.1
279.06412	1.2
281.04535	2.6
283.06009	12.5
285.04089	2.7
285.07559	1.1
287.05478	21.6
289.03870	1.8
289.07086	32.6
291.08673	14.3
295.06058	3.4
297.03958	2.9
297.07327	1.2
299.05560	6.2
301.07092	14.8
303.05200	1.6
303.08725	2.4
309.04071	1.8
311.05481	2.1
313.07166	2.7
319.06009	0.9
321.07751	1.2
323.05688	3.6
331.08295	1.9
337.07187	0.7
339.08856	1.0
341.06723	1.4
345.07541	1.1
351.04959	4.0
361.07306	2.4
365.06592	2.0
377.06735	1.9
379.08105	4.3
383.07608	4.8
389.06570	2.1
391.08237	2.6
393.06021	4.4
395.07620	1.4
396.08621	0.9
397.09152	8.8
401.06943	1.0
405.06100	4.5
407.07632	26.2
408.32095	0.8
409.09210	28.4
411.06134	0.8
411.10635	4.4
415.08533	0.8
419.07709	5.6
421.09366	3.1
425.08664	8.7
427.10345	13.5
431.07660	1.1
433.09311	3.2
435.11536	1.1
435.16504	0.8
437.08618	10.8
439.10696	1.1
449.08679	3.2
451.10501	3.4
453.11652	1.0
517.11481	3.3
527.09448	4.3
529.11511	1.0
535.12177	1.0
541.11322	1.5
545.11011	7.5
557.11292	1.0
559.12354	1.3
571.12048	1.3
577.13538	1.1
579.15063	5.1
589.13232	1.3
613.70569	0.8
679.14447	2.0
697.15283	5.2
715.16711	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.3
65.03934	4.9
67.05510	100.0
69.03431	4.5
69.07069	14.9
69.17995	6.1
69.18413	14.2
71.04981	4.8
73.02921	2.8
75.17493	1.7
79.05499	48.6
81.03411	6.4
81.07059	62.3
82.01472	1.6
83.04977	8.2
83.08631	14.9
85.02925	11.4
85.06535	3.5
87.04475	3.5
88.32145	1.6
91.05489	31.8
92.45412	1.7
93.07049	40.2
95.04995	4.8
95.08614	41.6
97.02894	4.5
97.06542	5.1
97.10185	17.3
98.20671	2.9
105.04568	1.8
105.07041	17.5
107.04957	3.0
107.08605	26.1
107.09676	1.8
107.18901	1.6
109.06512	2.5
109.10161	63.6
111.04460	1.8
111.08104	4.8
117.07015	7.4
119.08601	16.4
121.10166	18.5
123.08121	2.0
123.11700	4.4
125.09641	14.7
129.07039	2.4
131.08563	9.6
133.10124	6.6
135.07954	1.7
135.11726	17.7
137.09654	4.3
137.13246	2.5
145.10149	6.1
147.11713	5.9
149.13283	4.9
153.12770	3.8
155.10732	5.4
159.11710	6.9
161.13278	4.2
163.11241	9.0
163.14742	2.5
173.09621	1.9
173.11754	17.1
173.13217	4.3
175.14938	2.5
184.07271	2.0
193.12245	2.7
199.13354	5.8
201.16608	2.2
209.11746	4.9
227.12813	8.3
229.14375	42.6
232.27725	2.4
243.21111	4.2
257.13782	2.0
261.22174	16.9
301.16464	14.1
317.24734	3.3
335.25818	99.4
336.26004	2.6
337.27579	3.1
401.25372	10.1
477.35654	6.6
489.35840	20.7
561.37994	5.8
582.52698	2.6
661.46777	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	856.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.0
67.05508	100.0
69.03431	5.0
69.07075	21.9
69.25317	23.3
71.04985	11.4
73.02940	3.1
79.05492	64.8
81.03410	11.1
81.06593	5.4
81.07058	78.9
82.07435	2.7
83.04982	9.8
83.08625	14.0
85.02913	4.7
85.06528	4.7
85.48945	2.9
91.05485	45.7
93.07053	66.2
95.04963	9.6
95.08614	50.4
95.09206	5.4
97.02889	5.0
97.06548	10.8
97.10184	6.4
98.20782	3.8
105.07037	34.7
107.04982	5.3
107.08592	34.2
109.06522	6.5
109.10168	33.7
111.08070	6.9
117.07024	12.0
119.08588	27.2
121.06503	3.2
121.10159	29.9
123.08059	3.6
123.11705	7.9
125.09629	8.7
125.59573	2.6
129.05544	3.1
131.08563	21.5
133.10135	25.7
135.08058	3.9
135.11710	17.3
136.81618	2.5
143.08546	4.7
145.10130	17.8
147.11699	13.9
149.09631	7.7
149.13277	7.1
157.10135	7.8
159.11725	10.3
161.13246	6.6
163.11237	8.0
170.10532	2.5
171.11703	3.9
173.11781	4.2
173.13223	5.3
177.12898	4.0
183.11809	3.8
185.13301	4.0
209.11690	3.8
227.12764	6.8
229.14334	23.9
243.20941	2.7
257.19073	5.7
259.20758	2.8
261.22177	11.0
267.16055	3.5
269.17508	9.3
275.20062	21.7
301.16537	3.5
316.61148	2.6
322.55289	2.5
328.35495	2.8
335.25824	81.5
336.26318	3.1
349.23743	14.5
413.21716	5.7
480.64865	2.8
489.35501	16.9
509.34439	2.7
529.38885	79.2
530.39246	3.9
543.36713	4.2
561.37683	14.0
569.42041	24.6
609.44946	22.9
627.46234	4.8
641.47290	8.3
673.42847	7.2
777.53247	3.0
815.52588	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62534	1.7
61.02931	2.8
64.32430	1.6
65.03935	4.6
67.05509	82.4
68.56166	1.7
69.03431	11.5
69.07070	43.6
70.29682	3.9
71.04986	6.2
73.02879	1.8
75.87732	1.8
76.31348	1.8
77.03941	2.2
79.05495	70.6
81.03427	15.1
81.07059	100.0
83.04987	16.5
83.08633	15.4
85.02906	4.8
85.06540	4.8
91.05487	68.3
93.07047	70.1
95.04963	13.5
95.08609	43.8
95.09187	3.4
97.02871	7.0
97.06548	21.8
97.10191	11.1
99.04475	2.5
99.08096	4.5
105.04466	2.0
105.07043	51.0
107.04971	11.4
107.07888	2.8
107.08600	42.4
109.02891	3.8
109.06538	6.6
109.10166	17.7
111.08096	7.6
113.06108	2.1
113.09669	3.1
115.05416	2.5
117.07032	24.2
119.08589	38.0
121.06525	6.9
121.10137	25.0
123.08085	6.1
123.11744	4.8
125.09667	9.0
127.03915	3.0
127.76008	1.8
128.06233	2.3
129.05476	1.9
129.07021	8.3
130.07722	2.2
131.08572	29.2
131.93083	1.7
133.06436	3.5
133.10138	34.9
135.08090	8.4
135.11697	23.6
137.09630	4.1
141.07043	2.9
143.08604	9.5
145.10118	20.2
147.07999	3.3
147.11687	15.6
149.09628	14.3
149.13255	17.4
151.11130	3.5
155.08531	4.4
157.10110	7.6
159.08058	3.7
159.11713	21.1
161.09595	3.5
161.13271	5.3
163.11201	12.7
169.10117	5.4
171.07924	2.0
171.11650	6.1
173.04515	3.4
173.13287	6.9
175.11176	2.4
177.12715	9.9
179.14394	4.0
181.10185	2.7
181.12187	1.8
183.11699	4.7
184.07397	2.1
185.13284	4.5
187.11098	2.1
189.11221	4.1
195.13850	11.6
197.13283	3.2
211.14861	2.6
213.16420	2.9
215.14362	2.5
227.12813	9.5
229.19498	4.2
239.17961	4.7
251.54997	1.8
255.15952	16.2
257.19034	11.4
267.15961	5.9
269.14651	2.7
269.17508	48.2
275.20087	40.5
293.21100	4.5
310.20953	2.2
320.27094	2.1
331.22897	4.6
349.23743	35.1
367.24756	6.0
413.21432	3.5
435.27585	2.7
445.29401	3.6
449.28955	21.9
463.30624	34.1
479.12268	2.3
503.33838	2.3
525.35242	2.8
529.35632	9.7
543.36786	37.3
547.36066	3.0
561.37714	5.3
623.42761	5.2
641.43518	4.9
651.79181	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	3.4
65.03926	5.1
67.05510	87.0
68.66228	2.5
69.03419	10.7
69.06736	3.8
69.07071	44.3
71.04974	8.3
73.02895	2.8
73.57774	2.4
77.03909	3.2
79.05497	71.3
81.03437	14.6
81.07062	100.0
83.04987	14.0
83.08619	20.8
85.02887	7.4
85.06534	6.1
91.05486	65.9
93.07051	81.0
93.91683	2.5
95.04977	14.1
95.08612	43.8
97.02863	6.2
97.06542	23.5
97.10159	10.5
98.20745	6.0
99.08068	4.0
99.72482	2.6
103.05482	2.9
105.07037	48.0
107.04945	12.2
107.08598	47.6
109.02872	3.7
109.06512	12.0
109.10115	12.6
111.08070	7.2
115.05471	3.0
117.07030	24.5
119.08582	36.6
121.06487	7.0
121.10171	19.6
123.08054	7.3
123.11683	9.8
125.09648	7.4
127.03869	6.6
128.06270	3.0
129.05467	2.8
129.07011	9.4
130.07806	2.9
131.08582	24.3
133.06438	2.4
133.10139	33.4
135.08052	7.9
135.11696	21.3
135.12614	3.3
137.09624	5.7
139.11122	2.6
141.06993	4.6
143.08553	10.2
145.06474	4.4
145.10126	29.0
147.08069	3.0
147.11690	14.5
149.09645	19.4
149.13300	14.2
151.11137	3.7
155.08542	5.9
157.10138	9.9
159.11673	17.4
161.09602	3.3
161.13261	7.0
163.11180	16.1
169.10120	6.9
171.11653	7.1
173.04460	3.2
173.09554	2.8
173.13266	8.1
175.11130	4.5
177.12773	8.3
179.14265	7.9
181.10159	3.0
181.12216	4.2
183.11708	5.4
184.07292	7.0
185.13263	5.2
187.14830	2.4
189.11227	4.5
189.12794	2.3
195.12022	3.1
195.13811	9.6
209.13310	3.6
211.11423	3.3
227.12732	11.1
239.17950	5.3
251.16357	3.2
253.14415	2.9
255.15829	14.0
257.18985	14.8
267.15952	5.2
269.17487	44.9
275.20081	52.1
293.21152	3.5
331.22754	3.9
349.23764	51.7
355.27130	3.1
367.24872	5.0
415.29684	2.5
435.27722	3.4
449.29059	22.3
463.30600	32.0
525.35791	4.2
529.35071	9.2
543.36804	42.8
561.37347	6.8
623.42676	5.0
829.84387	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	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65822	1.4
61.02909	2.1
65.03931	3.2
67.05506	73.1
69.03434	9.6
69.07069	19.0
69.51736	9.3
71.01340	5.3
71.04986	5.7
71.08621	1.4
73.02905	2.0
79.05495	61.0
81.03424	22.7
81.07059	66.1
83.01342	1.6
83.04984	21.5
83.08617	9.2
85.02905	9.5
91.05482	35.9
93.07046	58.4
95.04970	11.8
95.08611	40.5
97.02899	13.9
97.06541	9.5
97.10150	7.7
99.04444	3.3
99.08112	1.9
105.07034	19.8
107.04967	11.6
107.08594	32.8
109.02872	2.9
109.06495	5.7
109.10168	22.8
111.04427	5.3
111.08055	4.4
117.07011	13.1
119.08590	21.1
121.06502	5.4
121.10142	26.9
123.08061	7.0
123.11695	4.7
125.05927	1.6
125.09599	6.0
127.03923	2.7
129.05443	3.8
129.06992	4.2
131.08566	12.8
132.84824	1.3
133.10115	9.8
135.08037	4.9
135.11699	24.3
137.09607	4.5
137.13329	1.3
143.08531	3.6
145.10136	23.7
147.08020	5.2
147.11674	5.3
149.09627	3.7
149.13260	4.2
153.12737	11.6
155.08540	2.8
157.10168	2.2
159.11697	5.7
159.76070	1.7
161.13251	3.8
163.11198	29.4
163.14848	1.6
173.04474	1.6
173.09627	4.5
173.11821	2.2
173.13229	3.1
175.14771	2.3
181.12202	7.1
183.11685	2.3
185.13191	2.4
187.14839	2.4
189.11148	1.6
191.10678	8.8
193.12340	1.6
209.11699	15.9
227.12801	13.0
229.14357	5.7
243.21043	4.3
259.20480	2.3
261.22137	13.3
265.14355	4.2
267.15921	2.2
269.49921	1.6
283.15421	19.1
289.18063	2.5
301.16473	37.9
302.16830	1.6
315.23102	1.5
315.47507	1.3
317.24692	3.6
335.25803	73.9
336.26007	2.0
381.21912	1.4
390.97464	1.6
433.31076	1.6
445.20578	2.9
451.32034	3.6
469.33362	2.7
487.34097	1.7
489.35107	2.0
512.08832	1.4
525.35809	10.2
543.36859	53.7
544.37158	3.7
561.37885	100.0
562.38055	4.5
579.38696	1.8
580.82178	1.5
641.43762	4.1
659.44958	2.2
705.41876	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	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.9
65.03935	3.8
66.71110	0.8
67.05507	100.0
69.03418	3.5
69.07075	15.1
71.01340	1.8
71.04988	3.2
71.10713	0.9
71.11046	1.7
73.02921	1.9
75.28327	0.8
79.05497	43.3
81.03413	7.2
81.07059	59.2
81.62986	0.9
82.07399	1.1
83.04985	8.3
83.08619	14.1
85.02912	11.8
85.06538	3.3
87.04465	5.0
91.03963	0.9
91.05483	24.8
93.07046	40.8
95.04984	4.6
95.08611	40.2
97.02898	3.1
97.06535	5.4
97.10168	14.1
99.04424	1.1
99.08057	1.6
103.03929	1.1
105.04530	1.1
105.07034	14.5
107.04964	2.1
107.08598	26.0
109.06520	2.4
109.10162	54.2
111.08083	4.2
117.07008	6.6
119.08585	14.8
121.06468	1.4
121.09344	1.3
121.10154	17.1
123.08060	2.0
123.11710	4.2
123.30234	0.9
125.09634	14.1
129.05482	2.3
129.06970	2.2
130.07742	1.0
131.08582	9.7
133.10133	8.8
135.08118	1.1
135.11697	10.6
137.09619	3.2
139.11212	1.0
143.08565	1.0
143.10667	2.0
145.10117	9.1
147.07977	1.4
147.11696	6.2
149.09613	1.8
149.13272	6.1
153.12758	3.6
155.10641	5.5
155.35591	1.0
157.10121	1.5
159.11700	3.6
161.13330	3.9
163.11205	7.6
163.14838	2.8
171.11659	1.3
173.09660	1.4
173.10121	1.3
173.11731	13.4
173.13261	4.4
175.14848	1.5
177.16379	1.0
181.12248	1.7
185.13284	1.1
187.14806	2.9
189.11133	1.2
191.10641	2.4
193.12321	2.0
199.13292	6.0
209.11758	4.7
211.13214	1.3
211.15053	1.0
227.12726	6.2
229.14366	42.5
230.14784	1.4
243.21153	4.5
257.13861	1.5
259.20584	1.1
261.22159	12.2
267.15930	2.6
277.21472	0.9
283.15359	1.3
301.16510	12.0
317.24786	2.3
333.24573	1.2
335.25806	72.8
336.26175	2.5
399.23798	13.9
459.34882	0.9
477.36081	4.6
489.35834	15.9
561.37769	5.6
579.38678	3.0
632.35559	1.0
659.45239	17.4
660.45129	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.3
67.05508	74.1
69.03425	4.0
69.07070	14.0
70.24383	3.1
70.24735	8.6
79.05499	37.4
80.30103	2.3
81.03429	2.9
81.06607	3.9
81.07064	65.6
83.08620	8.8
85.02908	2.8
91.05486	31.1
93.07046	48.2
95.04973	2.5
95.08614	49.3
97.10153	4.0
105.07023	19.0
106.33044	2.6
107.08589	25.5
109.02859	5.2
109.06558	2.6
109.09549	2.5
109.10172	21.7
110.03633	2.6
117.07020	8.7
119.08585	13.6
119.76260	2.3
121.10140	22.4
123.11688	7.8
127.03914	3.6
131.08575	15.5
133.10155	15.4
135.11700	14.0
137.13260	4.4
145.10092	9.2
145.11159	2.7
147.11684	10.6
149.13219	12.4
159.11694	9.1
161.13263	8.1
163.14783	4.6
173.13271	9.2
175.14821	4.4
187.14816	4.8
241.19566	3.7
243.21083	9.8
258.08731	2.6
259.20599	7.6
261.22174	25.1
277.21741	2.4
317.24640	3.5
333.24216	5.1
335.25809	100.0
337.27267	9.0
353.26743	3.1
407.02042	2.4
439.44482	2.8
561.27417	21.7
595.47437	13.9
613.47998	10.4
625.96783	2.6
677.16974	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	69.8
67.05506	55.8
69.03434	10.4
69.07076	9.3
70.84723	3.8
71.04984	3.9
71.08634	2.1
73.02923	28.8
79.05498	33.6
81.03426	8.1
81.07059	62.7
83.08625	7.5
85.02910	95.5
87.04472	2.5
91.03961	82.4
91.04545	4.0
91.05487	16.8
93.06495	3.1
93.07051	43.7
95.04983	2.7
95.08616	48.2
97.02895	48.8
97.06508	2.6
97.10184	2.0
99.04444	6.2
99.08103	2.2
103.03944	2.1
105.07040	13.1
107.08600	28.1
109.02856	1.7
109.10171	27.7
111.08116	2.2
115.03933	5.1
117.07025	7.9
118.46690	1.6
119.08575	14.2
121.10155	27.7
123.11733	15.5
127.03931	37.1
131.08549	18.7
133.10118	11.8
135.11711	25.6
135.30508	1.6
137.13264	6.5
145.04973	51.1
145.10117	15.3
147.11691	11.2
149.13260	20.2
153.12733	2.1
159.11691	11.8
161.13237	8.7
163.06029	96.4
163.14830	11.6
165.12784	2.8
173.13235	14.2
175.14815	3.1
177.12788	2.8
177.16367	5.0
187.14804	6.2
191.14224	2.7
201.16406	3.8
215.17964	3.4
219.17563	2.1
233.22519	3.1
243.21111	33.5
261.22156	100.0
262.22406	2.6
279.23111	5.5
317.24890	2.4
325.11353	3.1
335.25824	37.5
353.26907	72.4
354.27213	4.1
413.38599	1.7
461.29147	2.2
497.31503	7.9
719.88397	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	70.9
61.31377	1.6
67.05511	54.3
67.26648	1.9
69.03446	9.0
69.07068	11.7
69.63181	11.3
71.04967	3.8
73.02922	27.2
77.03919	1.9
77.17728	1.8
79.05499	29.9
81.03412	4.5
81.06600	3.6
81.07064	71.1
83.04981	2.0
83.08609	5.3
85.02912	89.2
85.06533	2.7
91.03961	89.9
91.05497	19.2
93.07059	40.3
95.04979	2.6
95.08617	49.6
97.02904	48.2
97.06506	2.5
97.10164	2.7
98.97110	1.9
99.04426	5.5
103.03944	2.5
105.07044	13.6
107.08601	29.1
109.02895	3.8
109.10172	32.1
115.03934	4.8
117.07014	7.4
119.08570	17.0
121.10158	27.3
123.11721	13.3
127.03931	37.4
131.08574	18.4
133.10130	14.6
135.11705	24.8
137.13255	6.2
145.04964	52.6
145.10144	15.1
147.11705	17.3
149.13271	19.3
151.11176	2.4
151.14766	2.7
159.11719	12.0
161.13235	12.7
163.06029	100.0
163.14813	14.9
173.13306	13.4
175.14819	3.8
177.16385	6.1
179.14400	2.9
187.14839	6.5
201.16304	2.9
215.18098	2.3
233.22661	4.5
243.21114	32.1
261.22165	98.4
262.22424	2.6
263.23651	2.3
279.23312	3.5
292.45129	1.8
325.11246	3.8
327.68314	2.0
335.25806	35.2
353.26889	75.7
354.27243	4.0
377.72748	1.9
411.50897	1.9
497.31131	6.8
776.86237	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.7
63.06235	1.9
63.94592	1.8
65.03948	4.7
65.12331	1.8
67.05510	64.0
69.03427	15.3
69.07073	43.1
71.01355	2.5
71.04998	6.4
73.02905	2.3
79.05026	2.2
79.05496	54.1
81.03426	16.5
81.07059	67.9
83.05003	11.7
83.08621	12.1
85.02888	9.3
85.06525	4.7
91.04001	2.2
91.04912	3.3
91.05485	52.9
91.06028	3.3
93.07052	53.0
95.04974	14.0
95.08614	28.9
97.02921	12.2
97.06529	13.4
97.10171	15.8
98.21519	4.9
99.04435	2.3
99.08097	4.3
103.05556	2.0
105.07037	40.7
107.04976	9.9
107.08597	35.4
108.80654	1.7
109.02888	1.9
109.06521	8.2
109.10159	25.4
111.04450	2.4
111.08087	5.3
117.07021	14.5
119.04926	2.1
119.08596	22.5
121.06523	8.0
121.10149	14.1
123.08078	4.5
123.11691	4.1
125.09639	11.9
127.03904	3.7
129.07002	7.1
130.07816	2.0
131.08575	18.8
133.06549	3.4
133.10138	26.6
135.08052	10.5
135.11681	13.9
137.09590	4.7
141.07051	2.8
143.08577	7.3
145.06490	2.3
145.10146	16.3
147.08080	7.3
147.11708	9.7
149.09598	11.7
149.13289	10.2
151.11221	8.1
153.12801	2.6
155.08601	2.8
157.10132	6.5
159.11702	13.1
161.09610	4.5
161.13272	2.2
163.11198	5.9
165.09077	2.8
171.11644	3.5
173.04411	1.9
173.13310	6.7
175.11197	5.3
177.12788	4.4
181.10210	1.9
184.07321	2.5
185.13342	3.1
189.11235	5.1
195.13905	3.5
223.13268	16.4
227.12822	6.9
239.18117	2.3
245.19196	2.6
253.14333	18.8
255.15685	8.8
257.18961	4.2
269.17484	26.3
273.00311	1.9
273.18552	21.4
275.20050	19.6
291.19574	100.0
292.19873	4.3
347.22284	3.8
349.23636	17.3
365.23227	43.4
366.23712	2.0
367.24817	3.4
406.14154	1.9
541.35345	4.7
545.34827	16.8
559.36340	67.0
560.36816	3.9
639.42908	15.4
682.34753	3.1
703.40106	2.9
854.45813	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54599	1.1
62.50561	1.0
65.03940	2.9
67.05509	50.5
69.03438	10.9
69.07075	42.1
69.99585	3.5
71.04986	4.6
79.05501	46.4
81.03433	10.9
81.07061	51.1
83.04986	8.5
83.08622	12.6
85.02895	2.2
85.06547	2.7
91.04918	1.2
91.05492	37.2
93.07050	40.9
95.04962	10.3
95.07979	1.7
95.08610	26.1
95.09930	1.3
97.02892	9.8
97.06535	9.8
97.10178	16.3
99.04459	1.7
99.08100	1.2
103.05481	1.1
105.04522	1.5
105.06315	1.9
105.07034	30.5
107.04965	9.5
107.08601	24.5
109.02889	1.7
109.06520	5.8
109.10162	12.3
111.04430	1.7
111.08081	3.4
115.05432	2.0
116.06265	1.6
117.07023	15.9
119.04934	1.4
119.08591	20.0
121.06503	4.6
121.10155	13.7
123.08064	6.9
123.11695	4.5
125.09621	13.5
127.03926	2.6
129.06966	7.9
131.08569	19.0
133.06505	3.7
133.10139	17.0
134.07245	1.3
135.08054	7.4
135.11705	7.1
137.09634	3.6
139.07590	1.2
141.07002	2.4
142.07761	1.6
143.08537	5.4
145.10141	13.0
146.09012	1.3
147.08037	6.0
147.11670	8.5
149.09639	8.5
149.13251	7.5
151.11227	2.9
153.09181	2.3
155.08540	1.6
157.10135	3.0
159.08116	1.4
159.11699	9.7
161.09628	4.5
161.13254	3.5
163.11176	7.7
165.09158	2.6
169.10181	2.5
171.10219	2.2
171.11711	4.5
173.09532	1.2
173.13281	4.2
175.11157	2.2
177.12730	3.4
179.10725	1.2
179.14296	3.0
181.12187	1.9
183.11670	2.7
185.13237	2.0
187.11122	1.6
189.11221	7.4
189.12685	1.4
193.12228	1.9
195.13782	4.0
197.13295	1.8
205.12219	2.4
213.12939	1.0
221.66795	1.0
223.13290	19.2
224.13887	1.0
227.12741	13.5
229.19511	1.2
239.17981	2.5
245.18880	1.5
249.14874	3.9
253.14339	4.2
255.15717	6.3
257.19043	6.3
261.14813	1.7
263.19772	1.3
267.15958	2.4
269.17520	14.7
273.18506	15.0
275.20065	20.4
291.19562	100.0
292.19885	1.9
309.20520	1.2
331.22412	1.3
347.22217	3.1
349.23810	17.0
365.23294	43.9
366.23682	2.1
367.24908	2.0
413.21951	1.4
423.23969	1.7
541.34747	1.7
543.36499	1.6
545.34869	13.3
559.36365	45.9
560.36615	2.9
621.41077	1.4
639.42517	21.0
640.42358	1.7
656.44592	1.3
657.43713	2.0
703.40375	1.6
770.64526	1.3
773.44641	1.2
854.46136	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	854.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	9.7
65.03923	3.0
67.05508	27.5
69.03432	5.6
69.07070	8.1
69.37748	6.3
71.04995	6.6
73.02908	3.3
73.06540	0.8
76.92178	0.8
79.05500	31.3
81.03423	91.7
81.07057	34.2
83.04987	18.4
83.08623	31.6
85.02910	43.7
85.06543	2.4
91.03962	7.5
91.05486	47.8
93.06496	1.2
93.07049	20.8
95.04972	35.8
95.08617	12.6
97.02905	10.1
97.06560	4.4
97.10156	6.6
98.21526	1.1
99.04471	1.5
99.08096	1.3
105.07037	30.8
106.07374	1.2
107.04956	8.5
107.08578	8.3
109.06512	7.6
109.10136	2.4
111.04430	4.4
111.08088	16.5
113.06001	3.8
114.61976	0.8
115.05431	2.7
117.07018	3.5
119.04955	1.2
119.08591	25.0
121.06476	2.3
121.10145	11.8
122.65228	0.8
123.08061	3.0
123.11687	3.0
125.09609	3.2
127.03889	2.9
129.07025	15.6
131.08583	16.8
133.06496	4.2
133.10135	16.8
137.09583	3.3
137.13197	0.9
139.07611	0.9
142.07780	5.7
145.04950	2.4
145.10138	2.9
147.08018	4.1
147.11691	23.0
149.09627	10.3
155.08485	1.0
157.10150	22.8
163.05968	1.7
165.12772	4.8
175.11200	22.5
193.12256	68.8
194.12517	1.3
211.13301	99.5
212.13672	1.5
224.44417	1.0
249.14951	1.0
267.15930	50.8
285.16971	86.5
286.17334	1.9
349.21509	1.4
367.22598	3.9
385.23740	5.2
403.24667	1.2
433.25690	2.4
441.26190	2.1
458.78009	1.1
459.27481	34.9
467.12259	1.0
477.28473	36.1
478.28677	1.6
495.29572	100.0
496.29837	2.9
621.32141	1.4
639.33148	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	853.456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.1
67.05181	0.6
67.05508	6.7
69.03436	3.5
69.07075	1.2
69.64265	2.2
71.01347	0.8
71.04994	0.7
73.02924	3.9
79.05505	2.9
81.03410	2.8
81.07063	4.8
83.08617	1.2
85.02912	6.4
86.09753	0.4
87.41536	0.4
91.03955	3.7
91.05499	2.4
93.07043	2.7
95.04966	0.8
95.08611	2.9
97.02900	6.3
97.06564	0.6
99.04435	0.7
101.02401	2.0
103.03991	0.8
105.07055	1.7
107.08608	1.6
109.02892	1.4
109.10164	4.9
112.79753	0.4
119.08597	1.0
121.10159	1.8
123.11710	0.8
127.03922	2.5
133.10165	0.9
135.11713	1.0
145.05013	0.7
147.11763	0.7
159.11792	0.5
173.11829	0.5
185.04343	0.7
193.12308	0.6
203.05357	0.8
243.08534	2.4
258.60773	0.4
335.25732	0.7
337.27292	0.8
347.09631	1.8
365.10239	0.5
405.13684	4.7
413.17978	4.9
519.29382	5.2
530.70020	0.5
575.23065	3.4
681.34619	7.6
682.35223	0.5
691.40576	1.5
853.45575	100.0
854.46112	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	853.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	6.0
61.87199	0.6
67.05509	9.2
68.72728	0.5
69.03438	3.9
69.07081	1.3
70.06614	1.1
71.01368	1.0
71.05004	1.2
71.50262	1.1
73.02915	4.4
79.05511	3.3
81.03419	2.2
81.07055	3.3
82.39725	0.5
83.04977	0.5
83.08639	1.1
85.02908	5.9
87.04456	0.5
91.03960	3.4
91.05494	2.3
93.07061	2.2
95.08617	2.4
97.02892	6.6
99.04497	1.0
101.02399	2.2
105.07065	1.4
107.08598	1.4
109.02929	1.1
109.10168	5.1
115.03943	0.7
119.08623	1.5
121.10115	0.9
127.03945	2.3
129.05560	0.7
131.08594	0.8
135.11641	0.7
141.18832	0.6
154.92166	0.6
157.10129	0.6
164.40785	0.5
173.11833	1.6
184.07306	0.9
185.04305	0.8
193.12465	0.6
203.05194	0.7
229.14424	1.6
243.08450	1.8
269.12799	0.5
291.19562	1.1
331.26306	0.7
341.30637	0.6
347.09662	1.8
363.08975	0.7
365.10861	0.9
405.13702	5.6
413.17886	8.8
519.29413	3.8
575.23236	7.0
627.46265	1.0
681.34692	4.4
691.40631	1.8
853.45581	100.0
854.45581	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	852.583
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	42.5
69.07062	12.9
71.50226	11.3
79.05509	34.5
81.07063	44.7
88.60716	6.7
91.05494	33.1
93.07053	33.3
95.08609	28.1
105.07025	23.5
107.08575	16.0
109.10166	13.5
119.08595	11.6
121.10149	20.9
131.08563	10.5
133.10146	14.5
135.11635	11.1
145.10115	7.5
159.11670	14.3
173.13145	7.7
209.10573	7.1
213.39618	9.5
230.32219	7.4
257.18860	7.7
261.22241	12.3
269.17435	16.0
275.20007	19.8
335.25818	100.0
349.23752	22.3
392.44498	8.0
400.80566	7.8
515.36700	7.4
529.38843	56.8
569.41754	13.9
609.44861	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	848.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05010	4.2
61.02931	11.9
65.03941	2.0
67.05510	99.5
68.05812	0.9
69.03429	3.3
69.07082	7.8
69.81660	4.1
71.05006	2.8
73.02929	3.1
79.05498	19.0
81.03420	1.6
81.07064	35.8
83.08632	8.1
85.02910	15.5
85.03391	1.3
85.06546	2.7
91.03968	6.5
91.05486	15.3
92.84230	0.7
93.07048	25.9
95.04960	1.4
95.08614	22.4
97.02898	6.6
97.06525	1.7
97.10190	2.9
101.07127	0.7
104.17501	0.8
105.04533	0.9
105.07044	7.2
107.08596	14.5
109.06482	1.0
109.10165	76.1
110.10529	1.0
111.08102	3.3
117.07057	1.8
119.08594	10.3
121.10152	10.3
123.08086	1.0
123.11707	3.7
124.84119	0.7
125.09655	1.3
127.03910	2.8
131.08569	5.7
133.10124	4.5
135.11694	6.9
137.09563	3.6
145.04979	3.8
145.10175	4.6
147.11696	3.3
149.13249	4.4
155.10683	10.8
159.11713	4.0
161.13277	2.9
163.06070	5.0
163.14815	2.3
173.11754	16.2
173.13251	3.3
175.14865	1.5
177.16389	0.8
187.14923	1.1
189.11244	1.0
227.12746	8.0
229.14362	100.0
230.14709	1.9
243.21115	5.4
261.22159	19.9
317.24658	3.9
335.25818	75.2
336.25964	2.3
379.30057	1.7
397.31079	1.4
415.32053	1.8
471.34543	3.3
489.35770	49.7
490.36063	2.4
507.36957	6.9
848.51550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04741	0.6
59.05000	3.9
61.02934	10.4
65.03942	3.1
67.05509	100.0
69.03440	2.7
69.07066	7.3
69.71703	1.8
69.72130	2.4
71.04989	2.9
72.64594	0.6
73.02905	3.8
79.05499	21.8
81.03428	1.4
81.07059	42.0
82.45806	0.7
83.04980	1.6
83.08625	8.7
85.02912	13.2
85.06559	2.8
91.03954	8.5
91.05492	16.0
91.06028	1.1
93.07053	29.4
95.04986	1.8
95.08613	29.8
96.93712	0.7
97.02905	8.9
97.06539	1.1
97.10159	3.4
99.04484	1.2
99.08112	1.3
105.04575	0.8
105.07032	8.9
107.08605	17.3
109.06508	0.9
109.10163	79.3
110.10527	1.0
111.08087	3.6
113.06050	0.9
115.03951	1.2
117.07024	3.8
119.08589	11.2
121.10154	11.4
123.11705	4.6
125.09627	1.7
127.03947	3.0
131.08577	7.1
133.10124	6.2
135.11702	10.3
137.09651	3.3
137.13237	1.6
145.05016	2.9
145.10129	3.9
147.11694	4.9
149.13251	4.6
155.10672	9.6
155.11749	0.9
159.11690	4.7
161.13261	4.0
163.06061	4.6
163.14876	2.6
173.11803	17.3
173.13322	4.6
175.14777	0.9
177.16435	0.8
187.14883	2.0
194.34145	0.7
227.12811	5.3
229.14362	88.2
230.14754	1.4
243.21127	5.8
261.22165	20.4
261.24878	1.1
262.22577	0.7
317.24799	3.5
335.25812	66.9
336.26279	2.9
339.92578	0.8
379.30231	1.3
397.31131	1.3
408.74606	0.7
415.32257	1.1
463.61206	0.8
467.26318	0.8
471.35083	2.3
489.35779	65.5
490.36078	3.7
507.36957	5.9
536.55713	0.9
599.24493	0.9
733.15692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47693	0.7
61.02936	3.2
64.93813	0.6
67.05503	6.6
69.03431	2.8
69.07069	1.8
71.12330	0.6
73.02932	2.4
79.05499	5.5
81.03427	1.9
81.07053	4.4
83.08633	1.2
85.02917	3.5
86.09723	1.1
87.04490	0.7
91.03986	2.2
91.05485	4.5
93.07056	5.5
95.05002	0.8
95.08593	3.9
97.02895	3.5
99.04481	0.9
101.02419	1.0
105.07027	3.5
107.08585	4.0
109.10154	1.0
117.07040	1.1
117.21244	0.6
119.08567	3.9
121.10206	2.3
125.00064	1.5
127.03895	1.6
129.07024	1.0
131.08595	1.6
133.10179	2.0
135.11823	0.8
145.10130	1.1
147.11694	1.6
159.11745	0.7
173.13177	0.8
176.29512	0.7
184.07333	4.4
185.04245	0.8
224.62103	0.8
243.08549	2.9
244.46599	0.7
261.22211	0.7
301.09189	1.2
315.10547	0.7
333.20529	2.9
439.19659	0.9
466.42389	0.7
535.28772	5.2
551.28278	7.5
623.30438	1.1
747.42853	0.8
845.50226	100.0
846.50525	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	845.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.5
64.76396	0.6
67.05511	5.7
69.03434	3.3
69.07075	2.5
71.50091	0.9
73.02921	2.8
79.05491	5.1
81.03420	2.3
81.07057	6.5
83.05021	1.0
85.02906	4.2
86.09724	1.2
87.04463	0.6
91.03972	2.5
91.05483	4.8
93.07037	5.7
95.04940	1.0
95.08575	3.1
97.02895	3.5
97.06560	0.7
98.58741	0.7
101.02377	1.5
105.07009	4.2
107.08621	2.9
109.10123	1.6
117.07046	1.0
119.08612	3.0
121.10168	2.7
123.11811	0.7
127.03889	1.0
131.08598	0.8
133.10170	2.4
135.11716	0.8
145.10124	1.1
147.11752	1.1
149.09592	0.7
159.11760	1.0
171.11699	0.7
173.13423	0.8
175.72961	0.7
184.07318	3.6
185.04164	1.0
185.13313	0.8
230.32925	0.7
243.08580	2.7
261.30347	0.7
301.09198	1.0
315.10294	0.8
333.20477	2.1
535.28906	6.0
551.28308	5.3
623.30603	1.8
845.50195	100.0
846.50305	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	845.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.4
67.05506	6.7
69.03436	2.9
69.07069	2.0
73.02921	2.9
76.17749	0.7
79.05499	4.9
81.03433	1.9
81.07047	6.5
83.04964	0.9
83.08635	1.4
85.02904	5.0
86.09705	1.7
91.03966	3.6
91.05491	2.2
93.07057	4.5
95.04968	1.0
95.08617	5.2
97.02888	3.8
97.06558	2.8
99.04436	0.9
101.02370	1.7
105.07037	2.0
107.08627	2.6
109.06573	1.0
109.10191	2.6
110.94698	0.8
117.07079	0.7
119.08645	1.3
121.10165	2.5
125.00034	1.1
127.03955	1.1
131.08600	0.8
133.10155	1.2
135.11679	0.9
159.11746	1.3
184.07336	7.0
185.04346	0.9
185.07767	0.7
216.13190	0.8
229.14528	1.2
243.08496	2.9
265.78375	0.8
319.18872	1.0
330.04840	0.8
337.27570	1.1
349.19858	6.1
376.38242	0.9
405.22604	0.9
439.19681	1.1
519.29108	4.2
567.27991	4.9
592.34045	0.8
747.27020	0.8
845.50238	100.0
846.50726	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	845.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97505	0.7
60.33971	0.6
61.02925	5.4
67.05511	7.8
69.03441	4.4
69.07072	1.9
71.05001	1.2
71.07379	0.8
73.02917	4.1
79.05487	4.3
81.03423	1.7
81.07056	7.4
83.08624	1.2
85.02904	5.9
86.09704	5.0
91.03968	2.6
91.05482	3.1
92.39951	0.6
93.07040	5.7
95.04968	1.3
95.08622	4.9
97.02888	4.9
99.04466	1.5
101.02389	2.0
102.54600	0.7
105.07023	3.1
107.08598	3.1
109.06526	0.9
109.10172	3.4
115.03919	0.7
117.07018	1.1
119.08585	1.8
121.10169	1.7
124.99958	3.7
127.03918	1.2
131.08560	1.2
133.10117	1.5
135.11703	1.5
136.03676	0.7
147.11743	1.1
184.07338	14.0
185.07671	1.3
195.41118	0.6
243.08432	1.9
261.22220	0.8
300.13464	0.6
335.25995	1.0
337.27344	1.4
349.19843	8.2
349.23294	0.8
404.64532	0.8
453.21313	0.9
519.29413	6.1
532.41034	0.9
567.27972	2.6
630.47906	1.0
845.50183	100.0
846.50482	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	842.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	2.0
65.03933	4.5
67.05510	100.0
69.03427	2.6
69.06729	2.4
69.07073	22.8
69.85340	1.7
69.85643	7.6
70.49825	1.4
71.04977	5.4
73.02928	2.3
73.59096	1.4
79.05502	48.0
81.03397	3.2
81.07063	79.4
83.04982	4.9
83.08623	14.4
85.06538	3.3
86.09713	9.5
91.05489	45.5
93.07050	58.8
95.04966	4.7
95.08619	43.2
97.02861	1.8
97.06528	8.2
97.10168	9.0
105.07040	25.6
107.04945	4.4
107.08601	35.5
109.06515	3.0
109.10164	45.8
111.08070	3.2
114.88891	1.5
115.05407	2.4
117.07044	9.9
119.08588	21.2
121.06503	2.0
121.10152	24.4
123.08057	3.9
123.11720	8.1
124.99995	3.3
125.09630	5.2
129.06978	4.7
131.08575	12.4
133.10126	13.9
135.08058	2.7
135.11710	14.3
137.09627	3.3
137.13301	2.0
143.08563	5.2
145.10126	13.7
147.08081	1.8
147.11697	12.9
149.09616	5.2
149.13268	10.5
155.10696	3.9
156.14905	1.5
157.10147	2.1
159.11684	9.7
161.13261	5.9
163.11243	3.6
163.14784	1.7
171.11700	4.6
173.11720	6.4
173.13252	6.3
175.14844	3.0
177.12711	2.8
183.11719	2.6
184.07333	24.2
187.11230	2.1
187.14761	2.8
189.11255	2.7
196.07930	1.5
197.13203	2.7
199.14723	1.7
205.15939	1.9
219.17516	2.0
227.12799	8.7
229.14366	42.3
229.19379	2.0
243.21082	4.2
257.18994	5.5
261.22189	15.3
269.17490	16.4
275.20032	25.0
293.21088	2.2
309.20587	4.5
317.24936	2.7
333.24203	2.2
335.25812	87.9
336.26239	2.2
349.23752	19.8
367.24698	11.3
489.35718	29.0
507.36685	3.8
529.38818	32.1
569.41992	18.6
609.45123	21.7
627.46387	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	842.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	3.5
61.02941	2.1
65.03951	3.2
67.05510	100.0
69.03428	4.0
69.06733	2.7
69.07071	27.4
71.04995	4.6
71.07384	3.1
79.05497	71.4
81.03407	5.8
81.07062	97.9
82.07406	2.7
83.04996	6.5
83.08631	17.8
85.02908	3.8
85.06535	3.7
86.09702	15.2
86.90061	1.8
91.05485	50.7
92.05845	2.1
93.07050	73.1
94.07362	1.9
95.04971	5.6
95.08617	61.3
97.02905	2.0
97.06531	7.9
97.10152	9.8
98.98476	2.4
105.04533	2.0
105.06391	3.5
105.07033	34.3
107.04962	6.2
107.08599	41.1
109.06517	7.8
109.09467	3.6
109.10154	34.5
111.08088	5.0
117.07034	11.1
119.08586	29.0
121.10153	28.2
123.08013	2.9
123.11713	10.0
125.00002	15.8
125.09629	5.6
125.20602	2.0
129.07024	2.8
131.08589	23.4
133.10149	20.8
135.08078	4.6
135.11716	16.1
137.09636	2.6
138.53957	2.0
139.11198	1.8
143.08577	5.1
145.10165	13.1
147.11700	16.7
149.09631	7.1
149.13258	15.7
157.10114	4.5
159.11739	14.9
161.09686	1.9
161.13289	5.7
163.11232	4.8
163.14812	5.2
169.09947	2.0
171.11661	2.8
173.11893	2.6
173.13190	8.8
177.12743	3.5
183.11641	2.8
184.07339	52.2
187.14882	3.6
189.11162	2.2
195.13890	3.2
201.16458	2.3
227.12814	6.1
229.14362	20.0
229.19527	2.7
229.45189	2.3
243.21104	3.6
247.20653	2.4
257.18979	4.4
260.28360	1.9
261.22238	10.0
269.17459	24.9
275.20056	26.9
293.21130	5.4
317.25085	2.6
335.25839	99.8
336.26221	2.8
349.23782	21.9
367.24896	14.2
394.59360	2.1
489.35706	19.2
517.40155	2.7
529.38879	56.8
569.42590	11.0
609.45215	34.3
627.46271	21.0
843.48608	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	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04799	1.5
61.02910	3.7
65.03931	6.4
67.05509	100.0
68.05849	2.2
69.03434	15.0
69.07072	61.3
69.27895	9.5
69.28313	4.3
71.04999	20.0
71.28278	1.6
73.02912	6.5
73.42375	1.8
73.42831	1.8
79.05499	85.2
80.73266	1.6
81.02994	2.2
81.03429	24.1
81.07061	94.4
83.04973	11.6
83.08624	16.7
85.02913	11.4
85.06529	5.2
86.09693	2.5
91.04919	2.1
91.05492	63.3
93.07051	87.5
95.04983	18.4
95.08608	57.6
96.17139	1.8
97.02872	7.8
97.06534	86.8
97.10161	6.1
99.04433	2.4
99.08109	8.4
103.05442	3.2
105.04524	2.9
105.07040	40.7
107.04972	11.8
107.08603	43.3
109.02892	3.5
109.06519	19.3
109.10146	20.7
109.47578	1.7
111.08105	9.5
113.05983	3.2
113.09680	1.6
115.05429	2.3
115.07581	28.1
117.07021	22.4
119.08576	30.9
121.06492	6.3
121.10149	29.3
123.08058	7.4
123.11696	6.5
125.09590	5.1
127.03907	7.7
128.06264	2.1
129.05498	2.9
129.07021	13.1
131.08586	30.9
133.06514	6.0
133.10152	23.8
135.08064	15.6
135.11716	15.2
137.09598	4.0
141.06990	2.2
142.07777	2.1
143.08609	9.5
145.06474	4.1
145.10139	19.8
147.08041	6.7
147.11720	13.2
149.09587	7.7
149.13261	12.1
151.11142	5.0
155.08551	4.7
157.10143	12.4
159.08064	5.7
159.11702	17.8
161.08444	1.8
161.09584	8.5
161.13251	7.7
163.11174	3.7
163.14838	4.2
169.10185	4.3
171.11758	8.2
173.04431	6.8
173.09523	2.3
173.13203	9.2
175.11179	5.5
175.14816	2.4
177.12787	6.1
181.10104	2.9
183.11746	4.8
184.07320	4.5
185.09662	2.6
185.13200	3.5
187.14862	4.5
193.12263	2.3
194.79929	1.7
195.11772	2.9
195.13817	5.8
197.13310	2.5
197.50069	1.6
199.14857	3.3
203.14377	1.9
207.13933	2.1
209.13289	2.2
213.12766	2.0
217.15849	12.0
227.17935	3.8
233.15361	7.4
243.21057	4.1
245.19029	4.9
249.56451	2.0
253.14296	3.2
255.17546	4.4
261.22186	12.9
267.15921	6.8
269.17447	16.5
273.18555	39.0
275.19812	2.1
290.36975	1.9
291.19592	21.3
317.24899	3.0
335.25806	88.6
336.26239	3.1
347.22028	11.5
349.23526	2.7
365.23175	15.4
383.24277	2.7
446.68988	1.8
515.37872	2.6
526.30048	1.9
527.36877	3.6
529.31543	2.9
529.38855	25.9
555.40820	2.8
607.43304	6.3
625.44373	17.8
643.45099	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	840.547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.5
65.03939	6.8
67.05512	90.8
67.85530	1.6
68.05859	2.2
69.03438	18.9
69.07077	62.5
71.01350	2.1
71.04647	2.4
71.05002	22.2
71.50230	3.1
73.02918	5.2
79.05501	92.9
80.05841	1.5
81.03430	24.2
81.07066	95.4
82.07398	1.5
83.04981	10.4
83.08621	15.9
85.02908	11.2
85.06544	4.9
91.05492	60.7
93.07050	81.0
95.04982	16.7
95.08617	61.1
97.02912	11.1
97.06539	77.8
97.10155	3.7
99.04488	3.9
99.08093	3.2
105.04517	4.4
105.07043	41.1
107.04971	11.0
107.08599	45.5
109.02899	4.8
109.06528	16.2
109.10162	24.5
111.04465	1.6
111.08080	6.9
113.06007	3.1
115.05435	2.4
115.07582	31.0
117.07023	23.9
119.04974	2.0
119.08592	32.2
120.16213	1.4
121.06499	6.8
121.10163	34.4
121.11042	2.0
123.08080	6.4
123.11714	6.6
125.05931	1.6
125.09643	4.0
127.03918	6.3
127.07546	2.7
128.06242	3.7
129.07025	8.6
131.08572	28.3
133.06546	4.6
133.10144	25.3
135.08070	13.4
135.11688	17.1
137.09633	3.5
139.11177	1.4
141.07008	3.3
142.07813	2.1
142.13202	1.5
143.08577	8.0
145.06381	1.7
145.10130	17.8
147.08046	4.0
147.11681	11.6
149.09634	6.4
149.13258	10.3
151.11131	4.3
153.09135	2.2
155.08571	3.2
157.10121	10.1
159.08047	4.4
159.11743	14.7
161.09673	8.8
161.13261	6.5
163.11249	3.2
163.14827	2.7
169.10182	3.6
171.11635	7.9
173.04488	5.3
173.09608	3.1
173.13264	7.9
175.11197	3.7
175.14864	3.5
177.12794	6.7
183.11711	4.1
184.07388	2.4
185.13281	4.8
187.11264	2.8
187.14799	3.9
189.11235	2.4
189.12823	1.6
191.14365	1.9
193.12180	2.2
195.11639	2.1
195.13637	1.7
197.13419	1.8
199.14894	4.9
201.07597	3.2
201.12709	1.5
203.14262	2.6
207.13776	1.6
213.12737	2.4
213.16455	1.6
217.15881	10.3
219.13817	2.3
227.12727	2.2
227.17839	2.2
233.15448	3.6
235.17064	2.0
243.21143	3.7
245.19020	2.9
251.16310	2.3
253.14325	3.1
255.17578	2.4
259.20651	3.1
261.22137	9.4
263.19849	1.7
267.15851	2.7
269.17459	12.5
273.18546	26.4
275.20053	4.8
291.19510	14.0
297.16922	1.6
307.19116	3.9
312.80515	1.6
329.21198	2.4
333.24094	2.3
335.25830	100.0
336.26251	2.7
347.22150	11.3
365.23297	13.2
383.24274	3.0
515.37909	2.9
529.38983	25.2
531.37030	2.3
557.38470	2.6
567.40192	3.3
574.01605	1.5
607.43726	7.0
625.44574	17.1
643.45581	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69648	3.4
65.03941	8.4
67.05509	100.0
69.03412	8.8
69.07063	37.4
71.05015	6.1
79.05495	92.6
81.03422	10.5
81.07062	88.6
83.04981	9.2
83.08606	21.7
85.02911	6.1
85.06541	4.3
86.09711	5.1
89.62257	3.0
91.05485	89.2
91.06358	3.8
93.07048	89.3
95.04972	7.8
95.08616	56.8
97.02895	3.9
97.06548	18.5
97.10177	9.4
98.20758	10.6
99.04500	4.1
105.07038	82.7
107.04953	9.1
107.08592	48.7
109.06540	7.4
109.10170	28.2
111.08073	4.4
115.05450	4.8
117.07028	38.9
119.08583	61.3
121.06479	4.7
121.10152	33.8
123.08083	6.1
123.11704	7.1
125.09634	6.1
128.06197	6.5
129.07018	17.7
131.08563	46.6
131.57539	3.5
133.06523	5.4
133.10143	47.0
135.08044	6.8
135.11700	25.9
137.09645	6.5
141.06961	7.3
142.07808	5.3
143.08571	23.0
145.06448	4.1
145.10127	38.7
147.11705	32.3
149.09618	8.1
149.13217	17.5
151.11192	4.7
155.08577	9.3
157.10118	20.8
159.11717	34.0
161.09586	5.3
161.13245	22.2
163.11238	9.3
163.14876	5.0
167.08624	6.7
169.10165	12.5
171.11685	23.6
173.04410	3.1
173.13295	14.3
175.14880	7.3
175.57983	3.2
177.12767	3.3
181.10138	8.7
183.11731	12.1
184.07367	15.6
185.13249	16.5
187.14864	7.5
195.11748	5.6
197.13321	9.3
199.14851	8.6
207.11839	5.8
209.13217	3.6
213.16350	4.5
239.17958	7.2
241.19537	14.1
255.15929	11.3
259.20612	38.1
267.15982	4.8
269.17487	19.1
275.20230	15.7
275.69299	3.7
315.23199	8.2
331.22867	3.8
333.24216	42.8
335.25772	4.5
349.23907	11.2
435.32507	7.7
439.20123	3.6
439.32562	3.3
453.33484	4.7
470.68512	3.5
513.35840	22.2
515.38037	4.8
527.37408	43.7
533.39984	4.8
533.58746	3.9
545.37921	8.9
607.43756	27.4
625.44421	26.4
801.69501	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	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88952	3.3
61.02935	5.8
65.03947	3.9
67.05511	100.0
69.03420	8.7
69.07072	66.3
71.05003	18.6
71.50320	4.3
79.05502	66.5
81.03432	8.3
81.06600	4.7
81.07067	91.6
83.04958	9.4
83.08630	19.3
85.02927	5.7
91.04919	4.9
91.05481	60.1
93.07050	70.3
95.04980	10.7
95.08618	63.8
97.02928	4.4
97.06537	16.7
97.10156	9.7
105.07040	43.6
107.04942	9.9
107.08612	43.8
109.06544	4.4
109.10165	30.0
111.04478	3.8
115.07587	10.5
117.07024	16.3
119.08596	37.4
120.20670	4.0
121.10166	25.1
123.08022	6.7
123.11646	6.3
125.09656	5.9
129.07039	7.2
131.08588	22.9
133.10149	26.6
135.07994	6.9
135.11664	16.8
137.09604	11.4
143.08543	10.8
145.10149	17.9
147.11690	16.0
149.09616	20.0
149.13229	10.4
155.10715	3.8
157.10083	5.3
159.11696	14.5
161.09589	4.6
161.13287	10.5
163.14769	3.2
171.11678	6.2
173.13289	8.5
183.11606	5.2
187.14766	6.8
197.13332	3.6
227.12775	5.0
229.14468	6.0
247.20515	4.4
257.18896	7.8
259.20715	4.3
261.22070	4.8
275.20084	32.0
291.19434	4.6
316.80447	3.8
335.25815	64.0
337.27310	5.6
349.23795	35.4
431.32040	5.8
489.35626	15.9
513.39319	5.9
609.45203	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06324	3.9
58.06606	78.2
59.06114	6.7
60.04507	2.9
61.02916	7.7
65.03932	2.5
67.05187	2.3
67.05508	28.4
69.03423	4.2
69.07059	7.7
69.25625	18.0
70.06575	2.1
73.02940	3.5
79.05502	29.3
80.05025	2.5
81.07061	27.6
82.06570	6.6
83.08613	3.0
84.04488	4.9
84.08128	9.0
85.02893	6.0
89.92248	1.7
91.05061	1.6
91.05488	17.0
93.07050	22.0
93.25583	2.1
93.86218	2.5
94.06581	13.7
94.20050	1.8
95.04964	2.7
95.07330	2.2
95.08607	22.5
96.08121	3.4
97.02901	2.8
97.10123	2.8
105.07037	12.8
107.08594	14.2
108.08102	3.3
109.10144	7.2
112.07613	4.8
117.07024	5.8
118.46704	2.1
119.08571	7.9
120.08060	4.2
121.10155	9.4
122.09681	3.5
124.11230	3.6
131.08566	8.0
133.10112	4.6
135.11702	4.4
145.10165	5.8
152.10638	1.8
164.14394	2.4
220.16995	2.2
252.83786	2.2
300.23257	2.6
301.21649	2.6
318.24222	3.7
323.03339	2.0
325.33945	2.2
332.21320	2.0
335.25705	9.4
392.27972	5.0
410.28793	2.3
518.75824	1.9
532.39612	2.7
537.92828	2.0
550.38495	1.9
652.49591	10.1
670.50427	100.0
671.50531	6.7
814.53387	3.1
832.55743	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	10.6
63.40747	1.2
65.03951	1.4
67.05508	42.9
69.03416	4.2
69.07072	14.7
69.15231	6.0
69.15662	5.7
70.74290	1.2
71.04984	5.1
73.02898	3.1
79.05496	31.7
81.03422	49.4
81.07061	57.1
83.04988	11.9
83.08620	24.7
85.02909	22.3
85.06540	3.7
91.03951	5.9
91.05489	27.9
93.07046	41.2
94.21618	1.0
95.04975	22.3
95.08614	15.9
97.02895	7.1
97.06533	8.1
97.10176	3.8
98.21560	1.7
105.04513	1.4
105.07027	16.9
107.04963	5.7
107.08612	17.8
109.06515	4.8
109.10136	3.6
111.04420	2.2
111.08090	10.4
113.06001	1.8
115.05515	1.1
117.07008	5.0
119.08577	13.1
121.06487	2.1
121.10163	13.0
121.64459	1.0
123.08102	2.2
123.11721	1.3
125.05924	1.2
127.03934	2.6
129.07005	7.6
131.08575	11.8
133.06543	1.5
133.10133	9.8
135.08110	1.3
135.11711	3.2
137.09584	1.1
142.07779	1.4
145.05026	1.4
145.10121	1.8
145.39186	1.2
147.08046	2.8
147.11699	11.2
149.09630	5.0
149.13266	19.4
157.10114	12.7
159.11665	8.7
163.06024	2.2
165.12772	1.6
175.11212	10.5
177.12755	3.3
181.04742	1.2
193.12254	27.9
195.13766	5.7
199.38614	1.0
211.13306	34.0
213.14847	1.6
249.14796	1.7
267.15927	34.0
269.17493	55.3
285.14075	2.1
285.16974	28.1
399.98648	1.1
411.32697	1.1
435.27200	1.7
461.29013	80.4
462.29260	4.3
479.30081	100.0
480.30374	3.3
623.33954	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.7
67.05509	19.8
69.03409	7.0
69.07063	5.4
69.27850	6.2
69.28285	6.0
71.04990	2.1
73.02925	6.9
79.05486	7.9
81.03416	3.4
81.07063	17.9
82.07386	2.7
83.04984	2.2
83.08623	3.6
85.02895	8.7
88.77244	1.4
91.03962	3.6
91.05486	9.4
93.07053	12.4
95.08601	10.8
97.02911	6.0
97.06561	1.7
101.02383	3.6
105.07037	7.0
107.04943	1.6
107.08578	6.8
108.08955	1.6
109.02898	1.5
109.10162	4.4
117.07042	2.2
119.08604	4.3
121.10170	3.6
123.11733	1.4
127.03947	2.4
131.08542	1.7
133.10173	5.8
135.11746	2.4
147.11705	3.1
149.13445	1.9
159.11795	1.4
161.13303	1.7
184.07368	6.2
189.93971	1.2
243.08504	1.7
275.20297	2.2
281.72266	1.6
331.18878	5.6
337.27365	4.2
338.27798	4.2
369.36951	1.6
518.39148	2.0
519.29272	14.7
531.25555	1.8
532.40771	2.8
549.26849	2.8
676.54126	1.6
729.41797	3.2
809.47986	10.3
827.49133	100.0
828.49585	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	826.568
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	4.3
65.03925	6.3
67.05508	100.0
69.03420	8.2
69.07078	27.2
71.05023	4.4
71.08633	8.0
71.27734	7.8
72.47772	3.7
73.02907	4.5
79.05494	67.3
81.03410	15.2
81.07059	92.9
83.04961	16.4
83.08628	24.1
85.02897	10.7
85.06502	6.4
86.09693	4.3
91.05486	45.8
93.06508	3.9
93.07056	63.5
95.04943	9.9
95.08618	52.6
97.02891	7.4
97.06544	7.9
97.10141	11.2
99.08091	10.3
105.07034	30.5
107.04939	6.0
107.08613	40.6
109.06494	4.3
109.10162	22.1
111.08087	6.2
117.07010	12.4
119.08611	22.7
121.10169	25.2
123.11695	12.4
125.09606	6.5
129.07031	5.5
131.08586	20.3
133.10130	18.2
135.11703	18.3
145.10080	13.8
147.11641	12.3
149.13258	16.1
151.11186	10.7
159.11694	16.0
161.13269	8.5
163.11191	7.6
165.12839	6.0
171.11716	5.0
173.13219	5.5
184.07321	21.7
237.27032	3.6
255.15948	3.9
261.22092	9.5
269.17380	23.0
275.20135	6.7
277.21603	6.3
331.22299	5.4
335.25812	67.4
336.74329	4.2
337.27338	26.4
349.23798	11.2
351.25244	7.9
529.38995	70.4
531.40338	10.6
611.47009	20.5
654.64703	5.4
827.48889	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	1.9
61.02659	0.7
61.02925	9.4
65.03931	1.0
67.05508	55.9
67.45867	0.5
69.03421	1.6
69.07069	5.3
69.40244	4.2
71.05007	2.9
71.08251	0.9
71.08633	15.4
73.02914	2.6
79.05463	1.7
81.03418	0.8
81.06614	0.8
81.07059	13.8
83.08618	9.5
85.02446	0.8
85.02909	9.9
85.06519	1.6
85.10186	8.0
86.09681	1.7
89.06038	0.7
91.03962	7.4
91.05475	2.4
93.07027	2.1
95.08611	12.6
97.02895	5.6
97.06523	0.6
97.10164	2.5
107.08584	1.9
109.10163	57.7
111.08060	2.1
111.11765	0.7
115.03925	0.7
119.08587	3.9
123.11703	2.0
125.00024	1.2
127.03885	2.5
137.09596	2.0
137.13257	0.6
145.04982	4.1
155.10684	5.6
163.06070	3.2
171.07645	0.6
173.11748	14.8
184.07295	5.5
199.87254	0.6
229.14355	100.0
230.14589	1.2
239.23723	1.9
257.24786	1.6
274.69623	0.6
313.27374	76.0
314.27850	2.3
340.53314	0.6
449.56738	0.6
467.37363	68.2
468.37598	1.9
543.86591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	2.1
60.08158	2.4
61.02927	9.3
65.03950	1.2
67.05505	59.4
68.43002	0.7
69.03425	1.7
69.07076	6.5
71.04974	1.4
71.07365	0.9
71.08630	19.2
71.50536	1.2
73.02930	1.9
79.05477	2.2
81.03432	1.2
81.07059	15.5
83.08617	10.0
85.02909	12.6
85.06519	2.1
85.10172	8.9
86.09708	9.2
89.06052	0.9
91.03961	7.7
91.05478	3.5
93.07043	3.2
95.08614	16.1
97.02882	6.2
97.10172	3.6
98.98470	1.5
100.11266	1.3
107.04929	0.8
107.08630	1.0
109.10158	59.0
111.08081	2.5
119.08570	3.6
123.11712	2.0
124.99994	4.9
127.03929	2.5
128.81337	0.9
137.09592	2.7
137.13219	1.1
145.04961	3.6
155.10672	4.6
158.80055	1.1
163.06035	3.5
173.11737	15.4
184.07341	27.9
229.14351	81.1
230.14667	1.5
233.88676	0.8
239.23732	2.5
257.24686	1.2
313.27365	82.4
314.27756	3.4
360.96350	0.9
467.37338	100.0
468.37576	4.3
611.42151	0.9
624.62299	1.0
826.51563	1.7
827.49048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90070	3.2
61.02930	4.6
64.95627	3.8
67.05505	91.9
68.05867	4.6
69.03413	12.4
69.07073	31.4
69.46644	24.3
69.47074	5.4
71.04981	6.2
71.08626	8.9
79.05022	4.4
79.05491	81.9
81.06602	5.7
81.07059	100.0
82.07399	7.1
83.04983	21.2
83.08618	8.9
85.02900	4.1
89.24407	3.3
91.05478	57.6
93.07049	87.1
95.04977	12.4
95.08620	65.8
97.02913	6.0
97.06516	9.5
97.10157	9.6
98.21506	6.8
99.08096	10.7
105.07034	55.4
107.04967	6.0
107.08589	49.2
108.08933	3.4
108.41286	4.5
109.06536	4.3
109.10165	33.6
117.07018	22.5
119.08600	39.3
121.06511	4.2
121.10159	33.9
123.08031	6.9
123.11705	10.3
125.00047	3.8
125.09613	7.6
129.07008	12.5
131.08575	27.8
133.10129	30.2
134.10568	3.8
135.08014	5.1
135.11720	23.2
143.08569	10.9
145.10085	21.6
147.11685	19.8
149.09689	5.0
149.13242	10.0
151.11217	4.2
153.47371	4.1
157.10130	11.4
159.11722	16.0
161.13255	10.8
163.14783	6.4
172.11967	4.1
173.13303	11.7
175.14771	5.5
177.12720	4.9
185.13321	7.8
187.14842	5.4
203.14272	5.3
219.17613	3.8
241.19513	8.8
243.21048	3.9
253.14420	4.2
257.18866	4.7
259.20636	15.7
261.22000	7.8
275.19995	13.5
293.21103	58.3
333.24045	18.0
335.25809	99.4
336.25949	12.3
337.26712	4.5
349.23730	6.2
367.24969	21.9
369.74011	3.8
384.04117	3.6
510.94644	3.6
529.39026	14.1
569.42072	4.1
593.45074	4.2
597.60968	3.6
611.46844	13.4
627.45905	46.1
812.07391	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	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.3
65.03932	3.9
67.05509	94.2
69.03427	7.3
69.06738	2.9
69.07076	29.4
69.12944	1.5
71.04985	6.3
71.31356	1.8
77.03959	1.9
79.05496	74.1
81.03425	7.6
81.07059	97.4
83.04994	9.1
83.08624	12.3
85.02909	4.3
85.06554	3.9
91.05486	51.8
93.07043	78.3
95.04967	10.7
95.08611	59.1
97.02922	3.0
97.06528	10.8
97.10188	6.6
99.08092	3.4
103.05499	2.9
105.07042	34.7
105.07706	2.8
107.04958	4.8
107.08593	38.8
109.06540	4.3
109.10155	28.4
111.08081	4.3
117.07028	17.1
119.08583	32.3
121.06521	2.6
121.10144	29.5
123.08056	3.1
123.11723	4.6
125.09652	2.9
127.03911	4.1
129.05519	2.1
129.07028	7.7
131.08562	24.8
133.10146	22.3
135.08057	2.7
135.11742	16.3
137.09624	4.2
143.08589	7.8
145.10153	15.6
147.11697	9.0
149.09642	9.1
149.13255	10.6
151.11244	2.4
153.09189	2.1
155.08548	2.6
157.10144	3.8
159.11713	14.4
161.13257	6.6
163.11215	4.8
169.10167	2.3
171.11671	3.5
173.04422	2.9
173.11841	2.7
173.13283	7.1
173.59383	1.8
175.14828	2.4
177.12775	3.0
183.11725	2.6
185.13318	4.1
187.14745	2.1
199.14937	2.2
209.13240	1.9
217.15862	2.4
227.12779	3.5
228.93594	1.8
228.95834	2.1
229.14384	6.4
229.19490	2.2
239.17972	2.9
243.21001	1.9
255.15929	5.1
257.19037	6.7
259.20380	1.9
261.22086	9.8
269.17508	12.3
275.20081	19.3
309.20575	5.6
312.24448	2.0
317.24747	3.9
331.22650	3.2
331.56552	2.0
335.25818	100.0
336.19461	1.8
336.26144	3.4
349.23828	15.0
367.24792	2.8
489.35672	6.0
515.37274	9.3
529.38898	46.7
530.38879	2.4
569.42004	14.9
609.45032	20.0
627.45764	7.2
627.55609	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	5.4
67.05510	57.9
69.07073	31.3
71.04980	8.5
71.50464	4.6
79.05505	50.9
81.03414	8.0
81.07063	69.9
83.04997	8.2
83.08600	14.0
86.09714	6.8
91.05482	74.1
93.07047	51.6
95.01293	6.0
95.04978	10.6
95.08613	41.5
97.06525	15.5
97.10172	5.5
105.06336	5.3
105.07039	100.0
107.04947	17.9
107.08601	19.7
109.10173	12.0
115.18726	4.3
117.07022	15.7
119.08593	56.4
121.10139	20.7
123.11661	4.8
129.06996	9.5
131.08588	26.6
133.10143	56.6
135.11676	8.5
143.08533	10.9
145.10130	24.7
147.11723	29.5
149.09682	7.0
149.13251	6.9
157.10165	10.2
159.11678	13.5
161.13315	8.4
171.11720	10.9
175.14801	5.6
179.14261	9.5
183.11682	5.9
184.07462	8.6
185.13327	6.2
241.19537	13.6
243.92546	5.7
257.19052	8.0
259.20624	28.7
275.20093	52.8
289.67297	5.1
298.99173	6.3
315.23114	9.5
333.24197	50.3
349.23737	41.7
607.43555	89.7
625.44202	9.7
822.47632	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	822.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	11.7
64.50862	5.9
65.03919	6.2
67.05180	7.5
67.05508	78.0
67.60797	6.7
69.07054	24.4
71.04983	7.3
71.49997	7.7
71.50346	6.9
72.95290	5.7
79.05505	56.2
81.03410	11.3
81.07058	87.3
81.39713	6.4
83.08604	13.1
86.09700	9.9
91.05475	58.7
93.07053	48.6
95.04971	9.2
95.08612	49.6
97.10131	11.3
101.19108	7.9
105.07041	39.3
107.08572	27.4
107.87543	7.3
109.06499	8.3
109.10171	12.8
115.05399	8.3
117.07018	25.0
119.08584	33.3
121.10151	15.0
125.00026	8.0
128.06248	15.1
129.06981	13.8
131.08560	53.0
133.10118	27.3
134.10585	7.5
135.08015	6.6
135.11734	14.1
141.06952	7.7
143.08575	59.0
145.10135	57.4
147.08041	7.8
147.11624	8.9
157.10121	20.0
159.11763	15.8
161.09607	8.2
169.10095	12.1
171.11780	9.7
184.07327	15.9
185.13290	9.3
195.11670	9.6
237.16466	8.2
255.17598	9.3
261.21939	7.5
273.18469	48.7
329.21173	10.0
335.25888	100.0
347.22021	34.9
409.28616	6.9
503.37183	9.8
607.43555	70.3
625.44409	17.1
822.51776	7.3
835.82593	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	822.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	17.5
67.05508	78.4
68.05830	7.1
69.07061	25.0
71.04986	10.1
71.50809	11.6
72.62083	6.2
79.05499	48.8
81.03428	12.1
81.07056	68.8
83.08601	13.2
91.05482	63.4
93.07045	59.8
95.05000	10.6
95.08605	47.6
105.07059	35.4
107.08564	32.7
109.06554	8.7
109.10146	22.1
117.01321	5.4
117.07010	28.8
119.08579	30.9
121.06461	8.3
121.10127	21.5
125.09637	9.8
128.06206	13.8
129.06990	15.8
130.07796	7.6
131.08557	48.7
133.10121	21.1
135.11711	8.2
141.06972	8.8
143.08568	46.1
145.10126	47.6
147.11746	11.1
149.09593	12.4
157.10159	17.1
159.11682	13.6
163.14757	7.5
169.10066	14.9
171.11711	14.6
184.07303	17.6
195.11646	13.4
237.16412	11.7
241.61378	5.9
255.17599	11.6
273.18497	43.7
298.15228	6.3
300.99826	6.8
329.21133	9.3
335.25818	100.0
347.22141	39.8
352.52042	6.8
437.48599	6.5
484.88339	6.5
503.37112	9.7
607.43396	56.3
625.44098	10.0
759.26654	7.7
817.19928	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	822.537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.7
57.07059	2.7
61.02932	1.6
65.03940	4.7
67.05510	100.0
68.80447	1.2
69.03434	6.2
69.07072	25.8
71.05013	6.3
73.02863	1.3
76.77548	1.3
77.03896	2.2
79.05499	76.5
81.03424	9.9
81.07062	98.7
83.04500	1.8
83.04989	30.9
83.08635	9.8
85.02904	2.6
85.06527	4.4
86.03297	1.3
86.09712	1.5
91.04906	2.5
91.05489	72.6
93.07050	74.9
95.04984	17.4
95.08614	59.6
97.02876	2.3
97.06521	9.4
97.10184	4.5
99.04462	2.1
101.06045	1.6
103.05450	2.4
105.04529	3.4
105.07040	56.7
107.04960	10.9
107.08600	55.5
109.06522	9.2
109.10162	53.0
111.04456	1.6
111.08083	3.0
115.05421	1.7
117.07041	14.6
119.08583	24.7
121.06506	10.1
121.09347	1.6
121.10161	23.5
123.08049	8.8
123.11714	12.4
125.09637	3.6
127.07555	2.8
128.06255	2.2
129.07018	5.1
131.08585	24.8
133.06525	7.6
133.10139	66.6
135.08052	11.9
135.11703	12.6
137.09618	6.6
139.11224	1.6
142.07729	1.7
143.08577	7.8
145.10139	15.3
147.08046	5.5
147.11700	11.4
149.09634	9.4
149.13258	5.6
151.11200	30.1
155.08617	2.7
157.10121	5.7
159.08049	4.9
159.11743	8.6
161.09602	10.2
161.13246	4.8
163.11183	3.3
163.14818	3.0
169.10098	1.9
169.12225	3.4
171.11714	4.4
173.09711	1.6
173.13275	5.0
175.11160	6.0
175.14850	1.8
177.09082	3.9
177.12726	2.8
180.84460	1.3
183.10260	1.3
184.07338	7.8
185.13205	3.3
187.11133	2.1
187.14827	1.4
189.12836	2.6
191.14247	1.9
193.12134	2.1
197.11650	1.6
199.14853	1.7
201.16356	1.9
215.12772	3.0
223.13118	1.8
227.18016	2.4
228.97668	1.8
237.16432	2.0
243.21120	3.0
245.19022	5.7
251.12801	4.3
253.14374	83.4
254.14580	1.4
255.17519	3.7
261.22263	9.8
263.19992	3.6
271.15549	1.9
273.15521	1.8
273.18524	35.8
291.19556	34.9
309.20682	3.8
335.25821	70.2
336.26276	1.7
337.27405	2.4
347.22202	12.8
363.25244	1.5
365.23248	50.0
439.32239	1.6
449.61807	1.5
457.32504	1.7
483.33994	1.5
513.35571	5.6
529.35040	1.6
531.36743	10.3
543.40210	1.8
544.55774	1.7
602.56610	1.8
607.43610	7.1
625.44672	71.3
626.44604	3.7
775.12384	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	10.4
57.07076	3.1
60.36796	1.2
61.02915	1.7
65.03925	4.5
67.05505	100.0
67.34361	1.1
69.03432	8.1
69.07072	26.5
69.93309	1.7
69.93711	5.3
71.05000	6.2
79.05494	66.6
81.03410	6.4
81.07055	97.6
83.04982	33.8
83.08624	10.6
83.29998	1.1
85.02908	2.6
85.06549	6.1
86.09689	1.3
91.05479	69.1
93.07045	75.0
95.04971	12.5
95.08606	50.3
95.09088	0.8
97.06558	6.9
97.10175	3.0
99.04465	2.2
99.08083	3.3
101.06010	1.2
103.05470	1.1
105.04549	2.8
105.07032	55.9
106.07281	1.0
107.04947	7.9
107.08591	56.2
109.06528	8.4
109.10158	60.7
109.17921	1.1
111.04443	1.8
111.08077	4.4
113.06000	1.9
115.05444	2.5
117.06997	14.3
119.04921	1.1
119.08578	21.1
121.06477	7.3
121.10149	24.3
123.04435	1.2
123.08060	4.8
123.11698	12.7
125.09616	2.8
127.07561	2.7
128.06270	1.7
128.41708	1.5
129.06993	4.8
131.08560	22.6
133.06483	5.6
133.10133	65.2
135.08060	8.2
135.11694	14.1
137.09616	4.0
139.07600	1.2
139.11060	1.6
142.07758	2.0
143.08578	4.4
145.10123	14.0
147.08040	3.6
147.11699	10.3
149.09599	5.4
149.13292	6.6
151.11188	30.0
153.09096	1.2
155.05992	1.2
157.10115	3.4
159.08070	2.4
159.11708	7.9
161.09674	7.1
161.13206	6.0
163.11156	2.8
163.14854	3.1
169.10124	3.0
169.12285	4.8
171.11729	3.6
173.13289	6.9
175.11139	3.0
175.14835	1.7
177.09106	1.7
177.12766	2.6
179.10677	2.0
184.07298	3.7
185.13246	2.8
187.14818	2.1
189.12656	2.0
194.85068	1.1
199.14873	1.2
201.16385	1.2
209.13358	1.3
213.16348	1.4
215.12746	3.0
216.14325	1.1
227.17920	1.5
237.16315	1.4
243.21075	2.9
245.19017	4.4
251.12859	1.9
253.14351	86.0
254.14717	1.9
255.17525	2.1
259.20627	3.0
261.22128	11.9
263.20050	4.3
273.18484	23.0
275.20035	1.7
291.19543	21.0
309.20688	2.4
317.24850	2.0
329.21228	1.3
333.23868	2.6
335.25809	98.3
336.26227	4.4
347.22067	8.6
365.23239	30.0
417.29822	3.0
457.33221	1.3
513.35681	4.3
529.35736	1.4
531.36823	30.8
567.40747	1.5
607.43225	6.7
625.44598	59.1
626.44531	3.8
681.50873	1.2
727.56348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.9
57.07071	0.7
59.05014	0.9
65.03927	2.0
67.05508	46.2
69.03439	8.7
69.07072	29.6
69.93687	3.6
71.04984	2.6
74.52585	0.7
78.90872	0.8
79.05496	39.6
81.03430	4.9
81.07058	41.6
83.04996	4.5
83.08617	11.5
85.02901	1.6
85.06541	1.9
86.09698	1.5
91.05482	24.3
93.07049	36.4
93.07647	1.7
95.04984	7.6
95.08612	27.9
97.02898	8.4
97.06528	3.4
97.10161	10.3
105.04535	0.8
105.07036	17.8
107.04951	5.9
107.08595	22.5
108.05727	0.7
109.06505	3.1
109.10170	14.5
111.08115	2.1
117.07022	7.9
119.04951	1.2
119.08582	17.1
121.06507	3.1
121.10144	12.2
123.08070	3.3
123.11687	2.9
125.09643	8.7
129.06996	3.8
130.07808	1.8
131.08560	11.3
133.06512	3.0
133.10138	8.0
134.07318	0.9
135.08044	3.4
135.11703	8.0
137.09622	2.8
142.07806	1.4
143.08548	2.5
145.10139	8.1
147.08043	6.0
147.11678	4.5
149.09587	1.6
149.13272	4.2
151.07703	0.8
157.10110	3.4
159.08063	1.3
159.11688	4.6
161.09636	2.4
161.13286	2.1
163.11148	1.2
163.14854	1.3
165.09100	0.8
171.08109	0.7
171.10188	0.8
171.11662	2.1
173.11861	0.9
173.13277	3.1
175.11208	2.0
175.14796	1.0
177.09216	0.8
177.12729	0.9
179.10706	0.7
184.07326	2.1
189.11234	4.6
195.13806	1.1
205.12299	1.8
223.13316	18.5
227.12794	3.2
243.21068	2.0
245.19037	1.6
249.14891	2.5
261.22150	7.2
261.60214	0.8
267.15762	0.8
273.18506	12.2
275.20056	1.0
291.19556	100.0
292.19809	3.2
309.20444	0.8
317.24744	2.6
335.25812	59.8
336.26120	2.2
347.21866	1.4
347.25882	1.7
365.23239	50.7
366.23459	1.5
451.80914	0.8
458.69009	0.8
527.36938	0.9
536.80432	0.8
545.38354	3.2
557.38605	1.0
607.43127	1.3
625.44659	57.8
626.44818	2.9
681.50690	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.3
57.07077	1.2
61.02939	3.0
65.03938	1.7
67.05509	29.3
69.03412	0.7
69.07073	10.8
71.04991	2.8
71.50507	0.9
73.02910	1.8
73.40393	0.6
78.25683	0.5
79.05502	17.6
81.03410	2.2
81.07060	36.7
83.04989	4.1
83.08622	7.2
85.02916	3.3
85.06531	1.9
91.03962	2.3
91.05487	8.1
93.07052	30.2
95.04974	2.3
95.08616	9.2
97.02892	1.8
97.06540	6.7
97.10165	0.8
99.08102	1.7
103.05473	0.6
105.07030	4.2
107.08604	17.6
109.06513	1.1
109.10150	2.1
111.08100	3.0
113.09654	0.7
117.07030	4.5
119.08588	1.7
119.68169	0.8
121.06519	0.9
121.10147	11.2
123.11703	1.7
131.08563	4.5
133.10158	3.4
135.08035	1.1
135.11705	3.9
147.11684	1.5
149.09555	0.6
149.13268	19.6
149.14395	1.3
157.10214	0.9
159.11681	6.8
163.06032	1.1
177.12732	3.1
177.80907	0.6
195.13795	5.7
264.37363	0.6
269.17496	44.2
270.17719	0.7
280.35501	0.7
303.03180	0.7
330.59247	0.7
463.30569	100.0
464.30896	3.0
607.34845	1.0
688.93787	0.7
793.23761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	18.1
57.07076	2.6
59.05005	6.2
65.03938	6.1
66.73270	2.7
67.05511	100.0
67.96864	2.5
69.03423	8.0
69.07076	40.9
71.01343	3.0
71.04987	9.5
71.50626	3.2
72.55514	2.2
76.73351	2.5
79.05497	52.7
81.03424	86.3
81.06590	4.9
81.07059	70.4
83.04991	15.9
83.08629	23.8
85.02885	8.4
85.06538	6.2
87.04459	6.6
91.05489	59.0
93.06490	4.1
93.07050	54.8
95.04982	36.9
95.08617	33.6
97.02893	8.3
97.06532	16.9
97.10187	13.0
99.08094	6.2
101.31615	2.5
105.07043	41.4
107.04298	3.0
107.04922	14.1
107.08607	31.0
109.06513	8.9
109.10168	46.3
111.04429	4.0
111.08091	9.4
115.05440	4.7
117.07035	12.7
119.08578	39.8
121.06531	8.5
121.10162	23.4
123.08078	6.3
123.11691	4.1
125.09649	12.5
128.06180	2.6
129.07022	15.0
131.08565	24.5
131.72682	2.6
133.06506	7.2
133.10155	21.1
135.08064	5.9
135.11684	12.4
137.09616	12.7
142.07732	6.4
143.08502	5.5
145.10130	15.4
147.08057	7.1
147.11755	12.6
149.09665	18.5
149.13229	3.0
151.11229	3.6
153.12717	3.2
155.08556	4.0
157.10115	10.0
159.11705	12.0
163.11186	12.2
169.10135	4.5
171.11685	3.0
173.11743	11.9
173.13118	4.6
175.11140	12.4
181.12233	2.7
183.11688	2.5
184.07402	3.6
185.13280	3.2
187.13196	3.0
189.11270	6.9
191.10635	3.1
193.12241	34.6
199.13498	3.9
200.01376	2.7
205.12291	3.0
209.11703	3.0
211.13205	4.1
223.13324	4.0
225.14859	4.6
227.12842	7.9
229.14359	36.3
243.16022	5.8
249.14767	6.0
253.14345	4.2
255.15941	3.0
257.19220	3.2
267.15906	67.5
268.16373	3.3
269.17505	3.4
271.03326	2.5
273.18521	4.4
275.20099	16.5
276.20471	2.6
283.15390	3.1
291.19574	6.9
349.23810	13.2
365.23465	2.7
421.26031	21.5
423.27368	3.3
424.08035	3.0
435.27588	3.3
447.27655	16.2
461.28665	3.1
541.35217	32.2
542.35333	3.1
559.36182	6.9
719.81030	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	820.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.9
67.05511	63.3
69.03086	6.4
69.07043	11.0
69.18140	78.6
69.53798	7.7
79.05480	28.2
79.76521	6.6
81.07068	46.0
82.98472	7.0
83.30368	6.6
85.42799	7.3
91.05468	26.5
93.07076	37.4
95.08627	38.5
98.20794	10.8
105.07032	23.1
107.08588	23.3
109.10152	22.7
117.07063	8.4
118.14985	7.2
119.08553	21.7
121.10154	18.2
122.10519	7.6
123.11763	9.1
125.17876	7.5
131.08566	13.7
131.48247	7.1
133.10095	11.8
135.11662	17.4
145.10136	8.6
147.11690	15.7
149.13292	12.9
150.14589	7.1
159.11687	13.2
184.07333	15.2
259.15665	8.5
261.22241	20.5
335.25827	100.0
336.26099	19.7
337.27011	21.3
371.18503	8.5
561.62134	7.8
595.46844	14.7
632.61377	7.5
794.41290	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	820.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	11.9
57.07086	2.5
59.05013	3.2
65.03939	5.4
67.05151	4.7
67.05508	86.0
69.03430	9.6
69.07071	28.6
79.05498	76.1
81.03391	3.7
81.06598	4.4
81.07061	72.9
83.04980	8.7
83.08622	40.7
85.02909	2.6
85.06552	5.5
86.09713	8.1
91.05486	61.5
93.07046	61.1
93.07643	3.3
95.04938	4.9
95.08003	2.8
95.08610	40.8
97.10172	75.5
103.05468	3.7
105.07037	23.7
107.04931	5.9
107.08602	55.5
109.06529	6.4
109.10182	23.3
111.08083	4.6
115.05451	8.6
117.07020	37.8
119.08585	82.9
121.06512	4.6
121.10157	24.6
121.66631	2.1
123.11739	3.1
125.00011	3.8
125.09641	66.3
129.06990	7.7
131.08583	19.6
133.10144	10.9
135.08043	15.8
135.11655	13.3
143.08540	11.3
145.06509	28.8
145.10170	13.2
147.08014	7.2
147.11679	4.8
149.13277	9.2
153.09070	7.3
155.08574	4.6
157.10133	5.7
159.08049	11.7
159.11687	5.8
161.09566	3.9
161.13275	5.4
163.07443	3.8
163.14848	3.5
169.10138	4.8
171.11673	4.0
173.09695	5.9
173.13261	5.8
179.44740	2.8
183.11620	3.7
184.07368	25.7
187.11238	2.6
189.11220	44.5
189.12766	4.3
196.91240	2.1
211.11047	2.5
215.14374	8.4
225.16429	4.1
227.10547	4.6
227.12790	86.5
243.17416	5.0
243.21138	5.6
253.15932	3.6
261.22186	25.6
271.16940	69.6
289.17953	20.3
317.24905	2.8
335.25836	82.2
345.20563	19.3
363.21732	24.0
462.06711	2.6
487.34421	5.7
505.35324	57.5
539.37469	2.9
605.41986	37.2
606.42175	3.1
623.43085	100.0
624.42883	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	820.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.8
59.05017	2.2
65.03958	1.8
67.05510	53.0
69.03425	8.2
69.07072	13.6
71.04981	2.1
79.05497	49.4
81.03436	3.0
81.07058	41.0
83.04993	5.9
83.08621	34.1
85.06552	2.7
86.09693	4.2
91.05488	49.0
93.07050	38.2
95.04995	2.5
95.08601	18.6
97.06509	2.4
97.10172	61.4
99.59290	2.0
104.25492	1.9
105.07024	12.9
107.08595	35.6
109.10175	17.2
115.05476	5.1
115.48098	1.8
117.07027	31.3
119.08584	63.0
121.06486	3.1
121.10144	9.8
123.11679	2.7
125.00008	2.5
125.09637	54.4
129.07036	2.5
131.08574	14.7
133.10164	7.2
135.08015	11.1
135.11742	4.0
137.09645	2.7
142.07756	2.2
143.08569	6.0
145.06496	27.4
145.10136	7.8
147.08047	4.8
147.11700	2.6
149.13275	3.5
153.09146	5.9
155.08553	3.0
157.10112	2.9
159.08096	11.2
159.11687	5.2
161.09663	3.2
161.13197	2.4
163.07538	2.8
166.58876	1.8
169.10120	3.3
171.10187	6.3
173.09644	4.0
183.07979	2.1
183.11697	2.7
184.07291	13.3
189.11232	41.5
189.12440	1.7
227.12794	100.0
243.17502	2.7
243.21219	4.0
253.16106	2.1
261.22153	14.5
271.16949	65.9
289.18048	18.6
335.25793	35.1
345.20584	12.1
363.21667	18.9
395.10199	1.9
487.33936	4.2
505.35287	11.3
605.42126	19.5
606.41437	2.4
623.43066	45.4
624.43158	3.2
685.89526	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.2
57.07062	3.7
60.37434	1.5
61.02917	6.2
65.03935	4.1
67.05509	39.7
68.99787	3.5
69.03432	25.7
69.06738	2.0
69.07072	22.1
69.33891	10.7
69.34296	2.6
71.04990	4.2
73.02902	5.6
74.39303	1.6
74.39755	1.4
79.05499	30.5
81.03422	36.5
81.07059	100.0
81.27547	1.6
83.05006	2.6
83.08611	9.7
85.02913	62.9
86.91601	1.6
87.00834	27.5
91.03936	1.7
91.05492	30.7
93.07052	67.2
94.07385	1.8
95.04953	5.3
95.08612	79.2
97.02895	25.1
97.10149	4.2
98.21582	3.5
99.04464	16.6
103.05505	2.3
105.01870	24.6
105.04548	1.6
105.06333	2.1
105.07038	59.2
107.08601	86.4
109.02885	36.6
109.06445	2.1
109.10164	62.3
111.04455	1.6
111.11764	2.1
111.59701	1.5
115.03840	1.6
115.05413	1.7
117.01836	5.0
117.07038	7.3
119.08586	61.9
121.10155	49.1
121.11043	2.5
123.11720	24.8
127.02988	3.5
127.03923	52.7
129.01891	3.9
129.07018	2.7
131.08574	13.3
132.53656	1.5
133.10129	25.7
135.11691	28.6
137.13268	4.4
143.08582	2.5
145.04951	21.1
145.10139	24.0
147.02879	3.4
147.11699	38.1
149.13268	33.6
157.10007	2.3
159.02893	17.8
159.11710	31.0
160.12561	2.0
161.13263	35.4
163.11209	1.7
163.14839	28.0
171.11632	2.6
173.09932	1.6
173.13249	11.8
175.14821	21.9
177.16396	17.4
181.83984	1.7
185.13203	2.0
187.14804	8.9
189.16382	12.0
189.17857	1.8
191.17914	2.8
201.16374	16.8
203.17944	15.3
213.03952	5.0
213.16496	1.8
215.17961	33.3
229.19489	4.2
231.04996	17.0
231.20934	2.7
243.21033	1.6
249.06090	4.7
271.24222	50.0
273.06033	6.3
289.25119	4.3
351.64145	1.4
381.22610	2.1
406.41409	1.4
461.09299	2.0
475.26584	2.1
554.33112	4.1
633.42572	1.7
694.71735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96006	8.9
73.63589	1.6
81.07073	2.5
86.09742	2.0
98.20784	1.9
102.65501	1.7
125.00121	2.1
184.07364	4.8
228.26540	1.8
254.26982	1.6
535.26630	1.8
813.49219	100.0
814.49701	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	810.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	0.6
60.08168	6.3
66.08311	0.2
67.05505	0.7
69.07047	0.4
70.06584	0.5
71.07375	4.2
71.50416	0.2
79.05481	0.5
81.07072	0.6
83.08614	0.3
86.09709	32.4
86.44884	0.3
87.10046	0.3
89.60875	0.2
90.52141	0.2
91.05502	0.3
93.07064	0.7
95.08595	0.5
96.08112	0.6
97.86946	0.2
98.98466	3.6
104.10745	2.6
105.07069	0.3
107.05019	0.2
107.08584	0.5
125.00009	21.8
126.09106	0.3
135.11681	0.3
154.08615	0.5
184.07344	100.0
185.07690	1.3
192.98161	0.2
250.30267	0.3
269.49362	0.3
278.60196	0.3
413.72653	0.3
630.47443	1.2
639.07355	0.3
712.44757	0.3
740.09479	0.3
792.52167	0.6
810.52191	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	811.445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
59.05006	0.9
61.02934	5.0
67.05502	4.6
69.03435	2.7
69.07072	2.1
71.05008	1.7
71.49982	0.9
73.02928	2.6
79.05498	4.5
81.03429	4.7
81.07054	4.6
83.04983	0.7
85.02917	4.9
87.04455	0.6
91.03963	3.1
91.05483	4.7
93.07049	4.3
95.04974	1.5
95.08641	2.2
97.02917	2.6
97.06555	1.2
99.04486	0.9
101.02422	1.7
105.07047	3.0
107.08617	3.2
109.02885	0.9
109.10172	1.6
111.08083	1.3
119.08620	1.9
121.10182	2.1
123.39905	0.6
127.03952	1.2
129.07080	0.9
131.08624	2.1
133.10188	2.6
135.11690	1.5
145.10184	1.2
147.11691	2.0
149.09656	1.7
150.82518	0.6
157.10155	1.0
164.24408	0.6
175.11308	1.4
181.21844	0.6
184.07414	0.9
185.04213	0.8
193.12315	1.8
203.05394	1.2
243.08420	3.2
283.15198	4.0
333.20609	1.5
339.17892	1.1
439.19547	1.4
441.20944	0.6
453.21057	1.5
469.20532	1.3
501.23148	10.8
551.28381	6.5
641.31592	2.7
696.38849	0.6
728.82922	0.7
811.44531	100.0
812.45044	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	810.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07111	0.2
58.06335	0.2
58.06604	0.4
60.08168	6.9
60.08478	0.4
63.86193	0.2
66.30727	0.2
67.05513	0.6
69.51093	1.3
69.68422	0.2
70.06586	0.4
71.07371	3.8
78.01777	0.2
79.05497	0.6
81.07047	0.5
86.09709	30.3
91.05514	0.3
93.07037	0.4
95.08627	0.2
96.08142	0.3
98.09708	0.4
98.98476	3.4
104.10747	3.0
106.09768	0.2
107.04971	0.2
107.08640	0.2
122.63308	0.2
125.00011	21.1
126.09144	0.3
145.10101	0.3
154.08653	0.3
163.11232	0.2
184.07347	100.0
185.07684	0.9
192.73083	0.2
223.34660	0.2
251.98293	0.2
511.05890	0.2
630.47101	0.9
712.44446	0.4
792.52014	0.5
810.52777	2.1
834.76050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69696	0.4
64.05717	0.4
65.03956	2.1
65.04228	0.5
67.05500	0.9
69.03410	0.9
70.15990	1.1
78.04717	2.8
79.05480	1.6
82.04204	0.5
85.02892	1.7
91.05495	3.9
93.03387	1.0
94.04217	0.9
95.04962	1.5
97.06562	0.6
103.05472	2.0
105.04520	0.5
105.07055	0.5
106.04166	1.4
107.04971	2.2
108.02087	0.5
110.03645	1.6
111.04416	0.6
115.05464	5.3
117.07030	9.3
119.04941	2.9
119.08559	0.5
121.06518	0.6
122.03677	2.5
122.63653	0.3
123.04440	7.2
124.05212	2.0
125.05972	0.9
127.05438	1.3
131.04930	1.5
134.03691	0.4
137.02338	0.6
137.05991	27.9
138.03093	0.7
142.02644	1.1
143.04938	2.0
144.05733	0.5
145.06503	11.1
147.04436	3.7
147.08035	1.0
151.03915	3.9
151.05016	0.7
151.07539	0.8
152.04729	1.9
153.05466	3.2
155.04868	0.6
155.06041	6.0
155.07162	0.7
160.05228	0.4
161.06044	0.9
163.07529	0.5
165.05498	0.5
167.07056	100.0
168.07397	1.7
171.06564	1.2
173.06006	24.5
175.03992	0.4
175.07568	1.3
177.05559	0.7
179.07045	1.4
181.04977	35.7
185.46281	0.4
189.05501	0.4
191.07054	0.7
201.05548	1.2
203.07080	1.4
204.07762	0.8
205.08611	5.3
212.95850	0.4
219.06480	0.6
231.06563	0.8
233.08060	4.9
234.06789	0.5
235.09697	4.9
250.06204	0.6
251.07146	0.5
265.08386	0.4
273.78012	0.4
293.08093	0.7
295.09509	0.5
310.08362	0.4
323.09406	0.5
325.10699	0.9
326.11441	0.5
342.10828	0.5
357.13333	5.3
385.12836	16.0
386.13315	0.7
387.14413	17.0
388.14844	0.6
415.14270	0.5
417.15482	9.0
583.21814	2.6
595.08112	0.4
613.22852	66.1
614.23077	2.9
701.48810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41733	0.3
65.03941	2.5
67.05476	0.8
67.78808	0.3
69.03415	0.5
71.07406	0.6
75.71970	0.3
77.03893	0.3
78.04710	3.0
79.05489	1.4
81.03396	0.7
82.04170	0.8
85.02896	1.0
91.05004	0.3
91.05490	3.8
92.02616	0.3
93.03395	1.1
95.04958	1.0
96.05746	0.5
97.02937	0.3
97.06493	0.7
99.04413	0.3
103.05482	2.0
105.03416	0.3
106.04160	1.2
107.04973	1.6
108.02086	0.3
110.03681	1.4
111.04433	0.9
115.04702	0.5
115.05461	5.4
117.07024	9.2
119.04939	3.9
121.06508	0.3
122.03619	0.7
123.04440	6.3
124.05184	2.2
125.05978	1.3
127.05442	1.1
131.04904	1.1
132.05687	0.4
133.02855	0.4
133.06499	0.3
134.03593	0.4
137.05981	6.1
138.03143	0.3
142.02602	1.4
143.04913	0.9
144.05693	0.7
145.06496	12.9
147.04427	4.3
147.08084	0.7
149.06032	0.4
151.03908	2.3
151.07521	1.2
152.04652	2.1
153.05479	3.0
155.04955	0.4
155.06041	7.0
159.04555	0.3
160.05215	0.5
161.05960	0.9
163.07523	0.3
165.05507	0.7
167.07042	100.0
168.07393	1.2
171.06537	0.9
172.05151	0.3
173.05991	25.8
175.07518	1.3
179.07100	1.5
181.04959	34.6
182.05251	0.3
191.07002	0.8
201.05504	0.9
203.07005	1.3
205.08629	4.9
207.08087	0.3
219.06618	0.5
231.06549	1.2
233.08044	4.5
235.09650	4.5
293.08075	0.7
297.11243	0.8
310.08438	0.7
311.09180	0.4
325.10767	0.8
326.11526	0.3
327.12253	0.3
342.11264	0.4
353.10715	0.4
355.11926	0.5
357.13312	3.1
369.13620	0.3
385.12820	16.3
386.13455	1.2
387.14398	5.3
417.15454	10.1
473.57922	0.3
515.17474	0.3
524.32635	0.3
545.15656	0.3
583.21796	3.0
588.24396	0.3
613.22815	67.2
614.23126	3.3
636.60956	0.3
638.78467	0.3
728.45691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	13.5
57.07072	6.6
67.05508	100.0
69.07063	26.5
69.85790	24.8
73.55339	6.1
79.05497	78.6
81.03411	6.1
81.07067	100.0
83.08639	11.4
86.09694	6.4
91.05482	81.1
93.07051	86.6
95.04981	10.9
95.08611	59.0
97.06550	6.0
105.07050	64.6
107.08608	36.5
109.10177	32.9
117.07003	25.4
119.08582	64.6
121.10150	40.8
123.08073	8.0
123.11662	7.5
129.07048	14.5
130.28864	7.2
131.08554	27.4
133.10143	39.1
135.11705	25.4
143.08528	11.9
145.10147	29.2
147.11722	40.1
149.13278	9.3
157.10114	10.6
159.11717	19.0
161.13289	23.8
163.11208	6.8
171.11661	16.5
173.13321	13.5
175.14778	9.0
184.07437	10.3
185.13330	11.3
216.49052	6.0
227.22856	5.9
231.20961	10.1
241.19606	21.9
257.19104	9.3
259.20609	76.7
261.22083	11.8
333.24301	44.8
335.25842	68.6
524.12213	6.2
593.45465	10.7
611.46576	44.4
749.43469	8.6
808.52209	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	806.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.0
58.79985	2.3
61.02935	3.1
65.50204	2.3
67.05185	3.1
67.05514	28.0
69.07060	5.0
71.28068	3.9
74.09706	3.0
79.05492	14.5
81.07060	33.4
83.08612	3.6
85.02899	4.5
91.05482	8.8
93.07050	18.3
95.08615	28.0
97.02880	3.2
97.10152	2.2
102.27013	2.3
105.07011	11.9
107.08606	10.6
108.22501	2.2
109.10137	10.2
117.07041	2.6
119.08578	7.8
121.10156	13.6
123.11672	5.0
131.08575	5.6
133.10081	6.3
135.11694	9.1
145.10114	7.0
147.11652	5.6
149.13277	4.4
159.11703	4.8
161.13315	5.2
163.14827	2.6
169.15587	2.3
173.13269	5.7
175.14838	2.6
184.11034	1.9
185.09564	2.2
187.14949	2.9
187.65654	1.9
210.62883	2.1
243.21083	4.4
259.20587	3.9
261.22116	15.0
333.24231	3.6
335.25833	100.0
336.26086	4.0
337.27457	5.2
575.90247	2.4
595.47589	14.1
613.48022	6.2
638.12878	2.5
723.72485	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	18.8
57.07066	3.7
61.02913	4.8
61.63540	1.4
65.03939	5.3
67.05508	93.7
68.05823	1.7
69.03412	2.2
69.06728	2.2
69.07074	28.3
71.04981	3.9
71.50202	2.6
72.31009	1.3
79.05497	70.6
81.03411	3.5
81.07059	89.2
82.07398	1.7
83.04978	4.9
83.08623	10.6
85.02892	5.8
85.06535	3.4
85.66436	1.6
91.04913	2.7
91.05486	53.9
93.07047	75.5
95.04967	6.1
95.08612	67.1
97.02893	5.8
97.06514	6.5
97.10198	7.9
99.08070	2.6
100.00018	1.6
105.07037	42.1
107.08598	46.9
109.06518	2.5
109.09471	2.2
109.10163	26.4
111.08075	4.0
113.09604	1.8
117.07029	17.1
119.06059	1.7
119.08591	34.1
121.10159	34.1
123.08070	5.4
123.11707	6.6
125.09586	2.8
127.03932	1.9
129.06998	6.0
131.08571	25.4
133.10129	27.1
135.08066	1.9
135.11687	22.2
137.09572	2.5
137.13264	2.5
143.08562	8.1
145.10138	16.5
147.11714	19.1
149.09576	3.4
149.13272	13.1
151.11253	2.1
157.10147	7.5
159.11707	15.6
161.13261	12.7
163.11240	1.5
163.14827	3.6
165.12714	2.3
169.10146	2.3
171.11714	5.6
173.11871	2.3
173.13254	9.8
175.14839	5.5
177.16487	1.7
179.14238	1.8
181.12259	1.7
183.11763	2.4
184.07288	3.0
185.13206	7.2
187.14859	9.3
197.13222	1.6
199.14787	3.8
205.15889	4.9
206.90959	1.5
217.15999	2.0
221.18942	1.6
227.12798	1.9
231.21068	3.1
241.19574	10.5
243.21130	2.5
259.20538	23.2
261.22141	10.6
275.20056	2.1
277.21622	17.6
315.23166	2.1
317.24887	2.8
333.24292	15.9
335.25806	100.0
336.25967	3.0
337.27280	2.4
351.25287	35.2
529.39063	2.7
593.45380	2.9
611.46722	39.0
737.49274	1.8
806.84412	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	22.7
60.72424	2.3
61.02928	3.3
63.75180	2.5
65.03944	4.3
67.05511	70.7
69.03443	8.4
69.07068	27.4
69.84731	11.2
71.05003	8.3
79.05495	56.9
81.03422	100.0
81.07062	75.5
83.04994	14.0
83.08633	27.0
85.02897	5.3
85.06551	6.9
91.05481	61.6
93.07043	51.3
95.04979	33.4
95.08598	26.9
97.02906	3.7
97.06528	12.5
97.10176	19.2
99.08099	3.9
102.59708	2.7
105.04494	3.8
105.07037	39.9
107.04949	15.1
107.08594	39.5
109.02855	3.2
109.06528	9.0
109.10163	17.2
111.04441	3.8
111.08099	13.8
114.73688	2.7
117.07008	18.1
119.08592	33.7
121.06533	10.1
121.10163	24.9
123.08090	7.4
123.11700	5.9
125.09616	15.5
129.07007	19.2
130.07805	2.8
131.08574	28.4
133.06474	5.0
133.10139	26.1
134.60323	2.5
135.08061	6.4
135.11690	13.0
137.09648	4.5
142.07814	3.3
143.08574	9.6
145.06506	3.2
145.10107	16.7
147.08073	6.0
147.11722	17.2
149.09618	15.0
149.13258	10.3
151.11130	3.3
155.08531	6.1
157.10185	13.5
159.08038	4.3
159.11687	10.2
161.09630	5.7
161.13226	3.1
161.34615	3.1
163.11194	7.4
167.33894	2.4
169.10149	2.2
171.11693	3.6
173.09517	2.4
173.11798	2.4
173.13263	5.2
175.11174	9.8
177.12813	4.8
179.79239	2.4
181.12100	2.9
183.07965	2.5
183.11681	3.1
184.07323	3.3
185.09813	2.7
185.13229	5.3
189.11246	7.8
193.12254	27.1
195.13901	4.9
211.13300	4.1
217.15916	2.6
223.13287	3.2
227.12775	12.2
229.14384	5.7
249.14931	4.3
253.14209	3.1
255.16000	10.2
257.19034	2.9
267.15915	78.0
269.17523	26.6
275.20102	19.8
285.16852	4.3
286.25623	2.9
291.19672	4.5
309.30765	3.3
349.23676	22.9
351.22845	2.9
367.25003	2.3
369.24335	4.0
387.25424	3.0
421.25912	6.9
443.27859	8.0
447.27435	24.8
449.30316	3.5
461.29062	82.8
467.31577	3.7
493.31671	9.1
511.29047	3.1
523.34558	3.9
541.35168	53.3
542.35638	3.9
559.36371	15.0
583.35516	3.4
587.32849	2.8
591.38965	3.2
795.97614	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	806.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	25.2
57.07069	3.0
57.98674	1.6
59.04988	5.9
61.02924	4.6
65.03941	4.6
67.05509	100.0
69.03432	10.1
69.07069	17.0
69.52335	11.8
71.01370	1.7
71.04996	11.0
73.02928	3.9
74.58995	1.6
78.41489	1.7
79.05501	54.0
80.50335	1.5
81.03423	91.6
81.07060	59.8
82.03754	2.2
83.04988	25.6
83.08624	39.0
85.02912	39.4
85.06561	6.6
86.09724	2.1
87.04478	6.0
91.05489	54.4
93.07047	31.8
95.04981	31.2
95.08615	26.1
97.02890	9.6
97.06504	9.3
97.10188	22.8
98.21475	3.9
103.05484	2.6
105.07040	37.3
106.07265	1.6
107.04958	12.5
107.08615	18.7
109.06521	7.3
109.10165	72.0
111.04468	5.1
111.08099	17.6
113.05983	1.9
115.05461	2.1
117.07036	4.5
119.08593	30.7
121.06524	4.4
121.10163	11.6
121.43526	1.8
123.08052	6.5
123.11755	2.1
125.09634	15.0
128.06204	1.6
129.05539	3.9
129.07022	18.1
131.08580	16.0
133.06544	3.7
133.10146	17.6
135.11722	4.1
137.09680	8.1
142.07768	4.0
142.95503	1.9
143.10689	3.4
145.10107	8.8
147.08073	7.3
147.11707	20.9
149.09683	9.5
153.12740	3.0
155.10699	5.4
157.10147	19.4
163.11160	9.1
165.12744	5.0
173.11757	21.1
175.11183	19.1
181.12331	3.7
184.07332	4.4
191.10669	4.8
193.12267	72.2
194.12524	1.9
194.84306	1.6
199.13344	7.6
209.11783	4.9
211.13310	90.9
212.13708	1.9
217.14508	2.2
227.12794	7.5
229.14372	59.5
267.15921	27.9
283.15439	6.3
285.16992	67.6
301.16431	13.7
399.23914	20.0
409.25760	5.2
421.25775	11.1
427.26913	2.6
439.26999	42.7
440.27310	2.8
493.27969	5.1
511.29095	10.0
609.36493	39.6
793.88251	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	20.5
57.07082	4.4
65.03936	6.6
67.05509	80.7
69.03424	4.1
69.07075	17.1
71.05003	2.7
79.05495	44.8
81.03433	4.5
81.07059	55.5
81.97263	2.9
83.05013	5.5
83.08627	5.7
85.06549	13.8
86.09718	13.7
87.10074	3.7
89.06031	2.5
91.05484	35.5
93.07047	42.3
94.07425	2.5
95.04978	62.7
95.08617	33.7
97.06536	6.4
97.10191	5.0
105.07031	27.2
107.04987	10.5
107.08614	32.9
109.06530	59.0
109.10149	15.6
111.08106	4.2
113.06014	32.7
117.07034	11.9
119.08590	14.1
121.06525	6.4
121.10160	14.6
123.08089	3.6
125.00002	11.9
127.03910	2.3
128.06264	2.8
129.07005	8.3
131.08565	22.1
133.10152	12.6
135.08063	48.2
135.09023	3.7
135.11710	11.8
143.08559	8.2
145.10127	13.2
147.08078	9.6
149.09668	5.7
149.13330	5.2
157.10173	8.2
159.11777	8.1
161.09645	7.1
163.11269	3.0
171.11700	3.7
171.85721	2.6
173.13324	7.3
184.07333	52.4
184.08807	4.5
185.07726	7.5
199.14807	2.8
217.15933	10.6
224.77650	2.4
235.50192	2.6
242.40958	2.5
247.63527	2.3
273.18500	42.4
279.15848	3.4
291.19562	100.0
335.25809	94.6
347.22205	9.8
365.23190	18.0
379.19736	2.6
467.23135	2.5
545.38226	6.0
579.38342	5.8
607.43811	14.4
625.44574	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	5.5
57.03440	11.5
61.02940	9.7
65.03938	9.8
65.65113	1.8
67.05506	65.5
69.03424	4.7
69.07072	29.5
69.17752	14.7
69.18192	7.5
70.06564	2.6
71.04990	3.8
73.02905	3.0
79.05494	68.1
80.05029	15.3
81.03436	4.4
81.07058	73.1
82.06578	6.6
83.05000	3.0
83.08636	10.0
85.02915	10.5
85.06505	2.9
86.09722	4.9
91.03957	3.5
91.05487	62.0
92.05000	2.6
93.05799	4.1
93.07048	58.9
94.06554	5.7
95.04963	8.4
95.08601	39.3
96.08147	3.8
97.02877	6.2
97.06551	5.2
97.10168	3.7
98.09681	12.4
103.05499	1.9
105.04500	2.8
105.07032	35.2
106.06545	5.7
107.04967	2.8
107.08587	26.8
108.08126	15.1
109.06516	2.3
109.10170	14.7
115.05451	2.6
117.07027	15.9
118.06534	8.2
119.08590	15.9
120.08085	5.3
121.10134	15.4
123.08019	2.4
123.11691	3.5
124.99989	3.4
125.09618	2.5
127.03889	2.2
128.06200	2.9
129.06973	2.8
130.06529	1.9
131.08569	13.7
132.08078	6.9
133.10103	9.9
134.09660	4.5
135.08076	3.2
135.11694	8.3
138.12823	2.7
143.08540	3.3
144.08069	3.2
145.10147	7.6
146.09625	6.9
147.10623	2.0
147.11700	8.2
148.11217	4.9
149.13235	5.4
157.10089	5.8
158.09634	2.6
159.11705	5.5
160.11145	2.3
161.13254	3.7
163.11383	2.1
165.12738	2.4
167.08699	2.2
175.14835	2.1
177.12732	14.3
184.07365	15.8
186.12752	3.3
194.15462	5.6
204.13943	4.0
217.15895	30.4
222.14949	2.8
234.18468	15.2
239.16386	10.3
244.16966	2.3
261.22150	6.3
262.21310	2.7
272.20154	8.5
278.17505	6.4
290.21158	54.4
308.22198	8.3
318.20392	2.9
335.25864	28.1
346.23709	3.6
364.24814	13.5
565.82355	2.4
624.46185	100.0
625.46399	3.8
642.38452	2.3
642.47534	28.6
773.94354	2.2
786.50653	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	804.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.0
65.03922	1.5
67.05511	31.6
69.03437	9.2
69.06729	2.2
69.07073	21.0
69.79803	7.2
71.04993	2.9
72.84943	1.1
79.05499	26.9
81.03423	60.2
81.06596	1.7
81.07059	23.2
83.04989	7.6
83.08630	19.9
85.02945	1.5
85.06548	1.9
91.05491	27.5
93.07048	19.2
95.04977	22.5
95.08614	12.6
97.02905	10.4
97.06538	5.6
97.10172	15.7
105.07036	18.6
107.04956	10.4
107.08612	13.9
108.37509	1.4
109.06522	5.5
109.10159	10.1
111.04451	1.5
111.08083	7.2
114.39424	1.1
115.05446	2.1
117.07021	7.9
119.04935	2.2
119.08594	17.4
121.06496	4.3
121.10151	8.6
123.08056	4.0
125.09643	9.2
129.07011	8.1
131.08585	12.9
133.06471	5.5
133.10146	10.4
135.08058	3.4
135.11697	3.0
137.09653	2.0
142.07774	1.6
143.08586	3.3
145.06500	1.6
145.10150	7.7
147.08035	7.2
147.11691	6.9
149.09616	5.1
149.13263	1.9
151.11208	1.6
157.10100	6.8
159.11665	3.3
161.09665	2.6
163.11166	2.5
165.09128	1.6
165.12726	2.1
175.11185	6.3
184.07321	2.2
189.09143	1.1
189.11215	5.5
189.12712	1.4
193.12274	12.7
195.13704	1.5
205.12297	4.2
211.13313	1.3
219.13799	5.0
223.11223	1.5
223.13322	19.0
227.12712	9.4
249.14844	4.8
253.14363	3.4
267.15924	74.8
268.16141	1.5
273.15656	2.1
273.18463	11.0
291.19565	79.6
292.19858	2.4
313.21637	2.4
317.71545	1.3
339.19647	1.3
365.23267	49.3
366.23563	1.4
367.22696	1.6
437.25439	1.7
445.25684	5.1
459.27383	6.8
465.29755	1.7
477.28400	3.7
539.33539	5.1
557.34784	100.0
558.34802	3.7
575.35858	2.5
701.61145	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	12.0
65.03935	5.3
67.05509	70.5
69.03433	6.3
69.07061	14.3
71.04988	10.3
71.50678	5.1
77.59429	2.8
79.05078	4.4
79.05496	53.9
81.03422	81.7
81.06595	4.8
81.07061	78.7
83.04971	17.3
83.08629	25.5
85.02902	6.9
85.06544	6.2
91.05486	66.0
93.07048	40.4
95.04977	38.1
95.08623	25.9
97.02894	4.6
97.06544	12.3
97.10194	3.6
99.04434	3.3
102.47192	2.6
105.07040	56.9
107.04956	14.1
107.08598	41.9
109.06505	15.8
109.10156	55.5
111.04401	4.0
111.08073	6.4
117.07015	9.9
119.08603	25.1
121.06533	14.1
121.10133	16.4
123.08059	6.4
123.11684	7.6
127.07499	3.8
129.07068	13.6
131.08566	23.8
133.06509	5.9
133.10135	70.0
135.08044	7.4
135.11696	8.9
137.09593	3.8
137.13191	3.9
142.07744	3.4
143.08543	7.4
145.10120	11.7
147.08096	8.2
147.11716	15.2
149.09668	15.9
151.11182	29.6
157.10132	9.0
157.18520	3.2
161.09622	6.6
163.11177	6.2
169.12228	4.4
171.11691	3.6
173.09561	3.4
175.11191	9.6
179.10652	3.9
184.07341	7.2
185.13306	3.1
189.12598	3.0
193.12282	29.3
209.11696	3.4
215.12712	3.7
227.12755	8.5
227.17937	3.7
229.14394	5.5
253.14377	100.0
267.13010	4.4
267.15939	78.0
273.18500	23.6
277.03339	3.2
283.15451	8.5
287.20013	9.4
291.19595	24.1
306.86188	2.7
309.20279	3.4
347.22137	7.1
365.23218	32.3
371.22131	3.3
437.25443	5.9
445.26044	17.0
461.25009	3.8
463.27048	36.0
483.31339	4.4
539.33984	16.2
541.27203	3.3
557.34778	91.5
588.82294	3.4
594.60461	3.3
774.86658	3.1
804.47266	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	802.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	13.8
57.07071	2.4
61.02926	1.9
65.03943	2.9
67.05514	53.4
69.03413	4.8
69.07080	11.1
70.35999	1.4
70.99644	1.7
70.99971	2.2
71.04978	3.5
79.05499	34.1
81.03426	62.8
81.06606	2.4
81.07064	44.9
81.07776	1.9
83.04971	5.7
83.08624	15.4
85.02884	3.0
85.06537	1.9
89.55033	1.5
91.05492	27.9
93.07053	35.4
95.04971	18.8
95.08616	29.7
97.02893	2.6
97.06532	3.9
97.10159	6.1
105.07044	20.1
107.04955	6.1
107.08603	19.3
109.06511	3.2
109.10160	14.8
111.08051	4.8
117.07033	5.1
119.08581	16.2
121.09463	1.6
121.10165	18.1
123.08029	2.4
123.11709	5.1
125.09639	4.6
129.07033	9.2
131.08565	13.1
133.06456	1.8
133.10129	11.0
135.11726	6.8
137.09648	2.7
137.13219	1.5
142.07771	3.2
143.08575	2.4
145.10133	8.1
147.08028	3.2
147.11707	10.1
149.09631	3.9
149.13303	7.8
157.10149	9.4
159.11696	6.2
161.13287	5.4
163.11200	1.7
163.14842	2.7
165.12807	2.8
173.09616	1.5
173.13286	5.6
175.11174	6.2
175.16306	1.4
177.16472	2.0
183.11732	1.7
184.07320	3.3
185.13240	1.6
187.14911	1.7
189.11311	2.3
193.12259	21.3
227.12785	5.5
243.21092	6.4
247.17020	1.4
249.14830	2.1
261.22241	20.2
267.15939	100.0
279.23041	1.6
301.25140	4.1
309.16937	2.2
317.24869	4.0
333.24289	2.0
335.25824	89.3
336.26151	2.2
435.32599	4.4
453.33664	7.1
471.34787	4.2
527.37372	55.1
528.37195	2.0
545.38391	40.8
546.38965	1.9
559.39160	2.1
605.40741	1.8
607.43506	1.5
636.93524	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	18.3
57.07076	3.4
59.04993	2.8
61.02936	4.9
65.03928	3.5
66.93939	0.8
67.05508	100.0
69.03436	3.7
69.07074	18.1
69.91635	3.8
71.01354	3.6
71.04990	4.8
71.08636	1.2
73.02912	2.8
79.05495	44.8
81.03419	8.2
81.07059	62.2
83.01340	1.4
83.04978	5.9
83.08626	14.7
85.02908	15.9
85.06547	2.6
86.09700	2.5
87.04469	4.1
91.05486	26.9
93.07047	44.9
95.04977	5.6
95.08612	45.1
96.08982	0.8
97.02904	4.6
97.06542	4.4
97.10182	14.6
98.21461	1.1
99.04464	2.2
99.08089	1.0
102.33313	0.8
103.03970	1.0
103.05480	0.7
105.04534	1.0
105.07033	16.5
107.04969	2.7
107.07864	0.5
107.08594	26.0
109.06524	2.5
109.10162	52.2
111.04447	1.1
111.08105	3.7
111.11720	0.9
113.06031	0.8
116.28782	0.7
117.07031	6.3
119.08578	16.2
119.09377	1.2
121.06430	0.8
121.10156	21.0
123.08080	2.6
123.11696	4.9
124.99959	1.0
125.09641	13.5
129.05507	1.5
129.06969	2.0
131.08580	9.2
133.10139	8.9
135.08084	1.3
135.11699	11.3
137.09610	3.8
137.13306	1.4
139.11221	1.4
143.08562	2.0
143.10680	1.8
145.10135	9.9
147.08099	0.8
147.11682	6.8
149.09673	1.3
149.13251	6.2
153.12769	2.2
155.10661	4.5
157.10123	1.2
159.11714	4.5
161.13269	5.1
163.11172	4.7
163.14799	2.9
169.10223	0.9
171.11708	2.0
173.11751	15.0
173.13289	4.6
175.14781	1.5
177.12607	0.9
177.16350	0.9
181.12260	1.0
184.07382	6.8
185.13206	1.2
187.14790	2.5
189.16441	0.8
191.10625	1.2
193.12282	1.9
199.13309	7.0
199.14885	1.3
201.16406	1.4
203.12749	1.0
204.31836	0.8
209.11794	2.4
211.13272	1.7
217.14355	1.5
225.32159	0.8
227.12743	4.2
229.14349	30.6
233.22681	0.9
243.21039	4.1
245.13834	1.1
261.22150	12.7
267.15988	1.2
283.15411	1.6
301.16571	6.4
317.24780	2.5
322.24680	1.0
335.25821	85.7
336.26221	1.6
345.19116	30.6
351.25266	0.8
368.10471	0.9
477.35791	3.7
489.35757	12.7
561.37634	3.3
579.39166	1.1
605.40503	43.5
606.40802	3.2
802.47473	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	16.9
57.07067	3.7
59.04987	2.8
61.02928	5.3
65.03954	4.7
67.05509	100.0
68.05835	1.2
69.03420	4.0
69.07071	16.9
69.24816	3.3
69.25246	5.6
71.01350	4.0
71.04987	5.7
73.02922	2.9
79.05497	46.9
79.76540	0.9
81.03415	7.5
81.07062	64.2
83.04992	6.0
83.08622	15.8
85.02908	14.7
85.06546	2.8
86.09723	4.7
87.04462	4.1
91.03944	1.4
91.05483	24.1
93.07048	42.7
95.04959	7.7
95.08611	40.5
95.09149	0.9
97.02909	4.4
97.06538	4.7
97.10184	15.8
99.04449	2.8
99.08110	1.8
103.03978	1.4
105.07032	18.3
107.04950	3.7
107.07890	1.5
107.08602	26.7
109.06540	2.3
109.10161	58.3
110.10460	1.1
111.04442	1.8
111.08092	4.2
113.02813	0.9
113.06049	1.1
117.07021	7.3
119.08593	17.2
121.06513	1.1
121.10148	20.1
123.08091	2.3
123.11735	4.8
125.00028	2.4
125.09638	14.8
127.03939	1.2
129.05484	1.7
129.06993	2.7
131.08557	11.2
133.10135	8.5
135.08043	1.5
135.11696	11.8
137.09619	3.3
137.13234	1.7
139.11166	1.2
143.08553	2.8
143.10669	3.1
145.10129	11.3
147.08005	1.5
147.11653	6.2
149.09627	1.8
149.13321	6.1
151.11205	1.1
153.12711	1.9
155.10670	3.7
157.10124	2.4
159.11665	5.5
161.13271	3.3
163.11165	7.0
163.14835	3.0
163.75087	1.0
165.76382	1.1
169.10156	1.1
171.11703	2.5
173.11739	13.9
173.13275	5.0
175.11192	1.3
175.14821	1.1
177.16394	1.2
181.12160	2.4
183.11699	1.0
184.07378	13.0
185.13231	1.8
187.14796	2.9
189.11221	1.7
191.10753	1.2
193.12225	2.6
199.13240	5.3
209.11720	3.8
217.14194	1.5
227.12755	6.1
229.14349	34.1
243.21170	4.6
261.22198	11.4
267.15991	1.8
283.15469	1.8
289.21512	1.1
299.23822	1.4
301.16449	8.3
315.23212	1.3
317.24789	2.8
327.23032	1.1
335.25830	75.7
336.26297	2.1
345.19080	44.0
477.35791	2.4
489.35733	13.5
543.36566	1.1
561.37933	2.5
579.38782	2.4
595.77185	1.1
605.40540	47.0
606.40485	2.1
802.47772	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
57.07071	0.7
61.02933	5.0
66.75420	0.9
67.05507	5.7
69.03423	3.8
69.07062	1.7
71.49775	0.9
71.50134	1.1
73.02927	3.4
79.05499	2.2
81.03429	1.3
81.07065	6.2
81.09082	0.7
83.08633	0.9
85.02908	3.1
86.09717	1.2
86.41416	0.7
91.03957	3.1
91.05511	2.0
93.07055	3.9
95.08607	5.3
97.02903	4.4
101.02399	1.7
107.08620	1.1
109.02876	1.2
109.10175	1.5
119.08638	1.2
121.10121	1.3
123.11710	1.2
127.03894	1.1
133.10104	0.9
135.11768	0.9
161.13266	0.8
184.07364	3.7
185.04471	0.7
189.90320	0.8
243.08443	2.1
276.59869	0.8
384.67734	0.7
389.27621	0.8
439.74405	0.8
519.29517	6.3
521.30981	5.8
799.53320	100.0
800.53809	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	799.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
60.99352	0.2
61.02909	0.9
68.99492	0.2
68.99786	1.0
69.03088	0.3
69.03440	4.0
71.05000	0.5
73.02911	0.9
79.24895	0.2
81.03427	4.8
81.44292	0.2
85.02916	6.3
87.00831	3.3
87.04446	0.2
91.03932	0.4
97.02900	2.8
98.20753	0.6
99.04472	1.6
101.02363	0.2
105.01871	1.9
109.02889	4.6
111.00807	0.7
117.01884	0.8
119.04862	0.2
121.02861	0.8
123.04413	0.4
127.03940	5.7
129.01845	0.5
137.02356	3.6
137.03336	0.2
137.05989	1.0
138.06345	0.3
145.04971	1.9
145.06125	0.2
147.02946	0.3
147.04362	0.2
149.02339	0.5
153.01839	3.7
159.02914	2.5
163.03920	0.5
165.01875	1.6
166.02634	0.2
173.06029	0.3
177.05551	0.3
183.02916	0.6
189.03917	0.2
191.03409	0.2
201.05479	1.1
229.04990	3.2
231.04999	0.8
239.03453	0.2
247.05992	0.8
257.04489	3.0
274.04739	0.8
285.03943	0.9
303.05014	100.0
304.05356	2.1
313.32980	0.2
345.05963	1.1
411.07074	0.4
439.40317	0.2
465.10394	1.8
533.09515	0.3
551.10400	15.1
551.18921	0.5
552.10559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	4.4
65.33501	0.9
69.20694	4.0
69.21124	5.6
71.07355	2.7
74.29649	1.2
86.09711	31.1
92.39182	1.0
98.98483	2.4
104.10731	2.7
125.00010	19.3
162.51585	1.1
184.07355	100.0
197.90372	0.9
328.20047	1.1
495.58694	0.9
497.79211	1.3
626.44757	1.4
780.54645	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	799.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
61.02928	0.6
67.05489	0.1
68.99790	0.9
69.03434	4.1
70.80300	0.3
71.04943	0.5
73.02923	1.0
74.54300	0.1
81.03423	4.7
83.01347	0.2
85.02914	5.9
86.46841	0.1
87.00837	2.8
91.03929	0.2
93.03387	0.3
95.04984	0.2
97.02899	2.5
99.04456	1.5
105.01874	1.8
109.02887	4.2
111.00821	0.8
117.01816	0.5
121.02844	0.8
123.04417	0.2
127.03931	6.6
129.01805	0.4
137.01416	0.2
137.02353	2.7
145.03941	0.2
145.04979	2.0
147.02852	0.4
147.04396	0.1
149.02402	0.6
153.01826	2.6
159.02896	2.4
161.05983	0.1
163.03893	0.5
165.01839	1.7
166.02615	0.2
171.02916	0.1
173.05998	0.3
177.05438	0.2
183.02946	0.6
183.04292	0.2
187.03883	0.3
187.05991	0.1
195.02844	0.2
201.05486	1.4
205.04968	0.2
213.03781	0.3
219.06592	0.2
228.04274	0.2
229.04970	2.8
231.05000	1.2
247.06067	0.7
257.04462	2.5
263.37170	0.1
274.04807	0.7
275.05469	0.2
285.03986	1.1
286.04544	0.2
303.05008	100.0
304.05347	2.6
306.21442	0.1
315.04971	0.1
327.04834	0.2
345.05972	1.1
369.06174	0.2
411.07172	0.2
465.10376	2.5
515.08502	0.2
533.09296	0.5
551.10370	16.9
552.10791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
61.02929	7.0
67.05506	6.4
69.03429	4.1
69.07077	0.8
70.55878	0.7
70.56248	0.8
71.04995	1.0
73.02929	5.7
79.05490	4.3
79.67403	0.4
81.03430	1.6
81.07057	5.7
83.04982	0.4
83.08624	0.6
85.02904	5.8
85.82160	0.3
87.04502	0.8
91.03959	2.9
91.05490	2.7
93.07048	4.7
95.04987	0.7
95.08615	4.5
96.94044	0.4
97.02901	5.5
97.10171	0.5
97.27433	0.3
98.52542	0.3
99.04493	1.2
100.27047	0.3
101.02386	2.4
105.07051	1.3
107.08584	2.1
109.01897	0.3
109.02882	0.7
109.10155	2.1
115.04028	0.4
117.07069	0.4
119.08605	1.1
121.10145	1.8
123.11694	0.8
124.36069	0.3
127.03911	2.0
131.08614	0.6
133.10109	0.7
135.11739	1.2
145.04990	0.6
145.10133	0.5
147.11755	0.4
149.13318	0.5
180.09535	0.4
184.07382	0.8
185.04256	0.7
203.05359	0.5
237.52759	0.3
243.08488	1.8
335.25940	0.6
335.32346	0.4
519.29333	13.9
520.30170	0.4
797.51764	100.0
798.52234	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	796.549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.7
58.06367	0.3
58.06628	0.5
60.08167	6.3
63.61307	0.2
67.05502	0.6
69.07072	0.3
71.07375	4.0
71.50567	0.3
75.62395	0.2
79.05508	0.4
81.07045	0.6
83.08621	0.3
86.09708	31.0
87.10050	0.5
91.05457	0.4
93.07046	0.3
95.08620	0.6
98.97871	0.3
98.98471	3.9
104.10739	1.9
105.07001	0.4
107.08583	0.2
118.46947	0.2
125.00010	21.4
131.08530	0.2
133.10126	0.2
184.07347	100.0
185.07724	1.8
186.07823	0.5
244.61087	0.2
261.35312	0.2
372.11688	0.2
520.33942	0.2
530.36499	0.2
602.27576	0.2
778.53845	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	795.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
61.02928	4.5
67.05507	4.7
69.03424	2.8
69.07058	1.7
69.41120	1.8
69.41543	2.3
70.06585	1.7
71.01350	0.6
71.04987	2.1
73.02927	4.0
77.31541	0.5
79.05505	5.4
81.03417	4.0
81.07044	4.6
83.04989	0.7
83.08645	1.0
85.02911	4.9
85.06544	0.5
86.09727	0.6
87.04469	1.0
91.03958	3.2
91.05493	5.1
93.07054	5.2
95.04976	1.6
95.08600	2.4
97.02907	4.9
97.06541	1.6
98.21503	0.9
101.02393	1.8
102.97149	0.5
105.07047	3.3
107.08591	2.6
109.06532	1.0
109.10193	0.8
117.07020	0.8
118.95136	0.5
119.08640	2.5
121.10130	3.0
127.03936	1.6
129.05475	0.6
129.07050	1.4
131.08597	1.6
133.10153	2.1
135.11716	0.7
147.11729	1.8
149.09630	1.3
157.10193	1.1
161.13324	0.6
175.11179	0.6
184.07329	2.5
185.04253	1.0
193.12303	0.8
203.05238	0.8
243.08479	3.4
267.16080	1.6
283.15137	4.2
301.09018	1.5
315.10541	0.5
339.17755	1.3
373.11499	0.6
437.35904	0.6
441.21365	0.6
465.21640	1.0
485.23795	0.8
501.23077	10.8
502.37173	0.5
535.28845	6.8
573.25140	1.4
587.26678	0.6
709.32507	2.2
795.45032	100.0
796.45618	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	795.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.05002	0.6
61.02936	5.2
65.00983	0.6
65.74196	0.5
67.05511	7.9
69.03439	2.7
69.07063	1.2
70.49887	0.4
71.01345	0.6
71.05004	0.7
71.50063	0.7
71.63950	0.5
73.02916	4.1
74.77998	0.4
79.05498	3.6
81.03426	1.4
81.07065	4.1
83.04980	0.4
83.08639	0.7
85.02907	6.0
87.04465	1.3
91.03960	3.9
91.05488	1.4
93.07047	2.8
95.08629	3.8
96.08992	0.4
97.02901	4.0
99.04433	1.0
101.02395	2.5
102.96237	0.4
103.03969	0.6
105.07040	0.8
107.08617	1.4
109.10172	6.1
111.08068	0.5
117.07059	0.4
119.08592	1.3
121.10155	1.4
121.98671	0.4
125.00003	0.7
127.03927	1.6
131.08598	0.5
133.10187	0.8
135.11707	1.1
139.03870	0.6
142.20145	0.4
145.10074	0.6
146.72855	0.4
147.11639	0.5
149.13277	0.5
170.71417	0.5
173.10434	0.4
173.11800	1.9
184.07401	1.7
185.04158	0.7
195.09979	1.3
229.14404	1.1
243.08340	2.5
245.66592	0.4
261.93640	0.4
311.43781	0.5
335.25879	1.2
371.18890	0.7
392.19971	0.5
413.17862	6.9
413.23090	0.6
519.29364	9.1
639.84338	0.6
691.40308	100.0
692.40625	6.5
777.43591	0.7
795.44470	7.7
796.45032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.9
57.17671	0.5
60.08165	0.7
67.05501	2.0
70.05911	0.6
71.50291	1.0
73.02935	0.6
73.13754	0.5
78.06364	0.5
79.05494	1.0
81.03453	0.9
81.07055	1.3
86.09703	2.4
87.04475	2.1
93.07050	0.9
95.08593	0.8
97.02909	0.7
98.98510	0.5
125.00027	1.6
139.03922	2.6
141.51331	0.6
163.04018	0.8
184.07339	8.1
185.07773	0.5
213.22578	0.6
299.06012	0.7
313.27536	1.0
328.32587	0.6
413.17947	0.8
465.19565	0.6
497.66629	0.6
519.29370	1.2
535.27124	0.8
535.72571	0.7
604.96564	0.6
691.40289	11.4
795.42944	100.0
796.43726	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	795.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.2
61.02928	6.0
67.05509	3.5
69.03425	4.3
69.07079	2.1
71.05002	1.1
71.50739	1.7
73.02930	4.4
79.05508	3.5
81.03432	5.0
81.07063	4.6
82.62527	1.0
83.04969	1.6
83.08634	1.9
85.02919	6.7
91.03960	4.6
91.05493	4.4
93.07041	4.2
95.05000	2.7
95.06824	0.9
95.08607	2.4
97.02897	4.6
97.10190	1.8
99.04465	1.4
101.02374	2.8
105.07085	2.3
107.08595	2.5
109.02846	1.1
109.10177	2.4
113.67697	0.9
117.07072	1.0
119.08598	1.6
121.10117	1.4
125.09612	1.4
127.03957	2.8
129.07014	1.2
133.10112	1.4
147.11778	1.3
149.02283	2.0
151.40955	1.0
157.10063	1.2
174.19151	1.0
175.11133	1.4
184.07393	1.5
185.04170	4.9
193.12302	1.6
201.03827	2.8
201.84033	1.0
243.08501	4.4
251.12674	3.1
265.14368	1.2
301.08908	11.2
307.15506	1.3
311.68433	1.1
315.10580	4.0
333.20444	1.2
349.16312	1.8
357.15308	2.0
373.11078	3.4
383.16879	1.9
385.18390	5.8
395.16693	1.8
409.17404	1.2
413.17819	2.1
429.17679	2.5
433.25775	2.7
439.19293	2.2
443.19080	3.2
451.26184	1.1
457.20367	1.5
469.20517	13.3
477.24646	1.3
477.55536	1.1
481.20251	5.2
485.19974	2.1
499.21707	3.7
511.21301	2.1
515.71021	1.2
528.22003	4.2
541.22644	6.3
551.28516	3.0
552.81738	1.1
583.29358	1.2
611.30145	2.1
612.31213	2.6
623.30591	1.8
641.31903	3.3
667.33124	6.1
709.33972	29.8
710.34747	1.7
749.40802	1.5
777.40051	5.5
795.41309	100.0
796.41370	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	794.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.8
56.11431	0.1
57.07078	0.2
58.06630	0.6
59.05005	0.2
60.08168	6.3
67.05502	0.7
69.07051	0.1
69.42968	0.2
70.62915	0.1
70.75079	0.4
71.07378	3.7
79.05487	0.4
81.03404	0.1
81.07063	0.4
83.08634	0.2
86.09710	32.7
87.04467	0.6
87.10052	0.3
91.05486	0.6
93.07062	0.4
95.08605	0.3
98.98468	3.5
104.10744	2.1
105.07041	0.4
109.10167	0.4
121.10136	0.3
125.00011	21.5
128.01547	0.1
133.10152	0.4
143.01067	0.3
184.07347	100.0
185.07715	0.7
236.86208	0.2
325.39651	0.2
518.32910	0.2
776.52271	3.1
777.51642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16624	1.3
56.37251	1.4
57.03440	16.0
57.07074	7.2
61.02927	4.6
62.16877	1.3
63.63127	1.3
65.03938	5.3
67.05509	99.5
69.03419	1.8
69.07072	36.4
69.26896	4.9
69.27316	7.7
71.04987	3.6
71.08640	3.4
79.05499	42.6
81.03431	2.0
81.07061	100.0
83.04992	2.3
83.08624	21.6
85.02908	2.9
85.06547	3.0
87.04494	2.7
91.05486	24.3
93.07050	57.3
95.04990	3.7
95.08614	75.4
97.02878	2.6
97.06536	6.1
97.10181	10.9
99.08089	3.5
105.07040	20.4
107.08604	30.7
109.10165	31.0
111.08092	3.9
117.07026	5.3
119.08588	18.5
120.19212	1.2
121.10154	28.5
123.08083	2.2
123.11715	12.2
123.45451	1.3
125.09649	1.6
131.08598	11.9
133.10135	16.5
134.25455	1.3
135.11696	19.4
137.09671	2.0
137.13251	5.4
139.11183	1.6
145.10143	10.8
147.11668	11.0
149.13269	11.6
151.14839	2.7
157.10109	1.8
159.11699	9.8
161.13283	10.8
163.14876	5.0
171.11687	1.6
173.13261	5.7
175.14821	6.6
177.16428	2.6
179.14365	1.6
184.07365	2.1
185.13177	2.6
187.14806	4.1
189.16382	2.3
199.14827	1.6
201.16409	2.2
241.19571	1.5
243.21178	6.8
245.22691	3.5
259.20593	3.8
261.22159	18.1
263.23727	5.0
273.35400	1.5
317.24780	4.3
321.62766	1.3
331.88043	1.4
333.24216	2.5
335.25830	78.3
336.26062	1.7
337.27386	92.0
338.27701	2.8
339.28937	6.0
398.01419	1.4
491.36780	2.1
523.44940	4.8
541.46002	1.9
597.48767	29.2
598.48669	2.1
615.49988	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	794.533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	1.1
57.03451	0.2
57.07085	0.3
58.06347	0.2
58.06608	0.4
60.08168	6.2
67.05512	1.0
69.07061	0.3
71.07381	3.7
71.50677	0.3
79.05515	0.6
81.03426	0.3
81.07058	0.9
86.09710	29.2
87.04470	1.3
91.05482	0.6
93.07055	0.7
95.08611	0.6
98.98470	3.9
104.10752	2.7
105.06985	0.3
107.08617	0.2
109.10178	0.3
117.07030	0.2
119.08576	0.4
125.00010	21.2
131.08565	0.3
143.01106	0.3
184.07349	100.0
185.07713	0.8
198.41708	0.2
481.73901	0.2
534.31451	0.4
541.01550	0.2
682.45020	0.2
794.53259	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.9
57.07063	0.2
58.06617	0.5
60.08167	6.5
65.35962	0.2
67.05508	0.4
67.30601	0.1
69.07075	0.3
71.07373	3.6
71.50455	0.2
79.05486	0.3
81.07042	0.2
83.08644	0.2
86.09708	28.9
87.04456	0.8
87.09996	0.2
91.05505	0.3
93.07043	0.3
95.08607	0.4
98.98464	3.9
104.10748	1.7
105.07043	0.2
108.26347	0.2
119.08582	0.3
121.10170	0.2
125.00008	20.5
166.02678	0.2
184.07344	100.0
185.07663	0.7
335.25955	0.3
348.49307	0.2
376.20068	0.2
408.29926	0.2
776.52466	2.8
777.51904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	17.4
57.03448	11.3
57.07076	2.7
60.60445	2.5
61.02933	3.6
62.98135	2.2
65.03940	2.8
67.05505	79.1
69.06378	2.2
69.07065	20.0
71.04991	4.1
71.08624	3.5
71.21630	3.9
74.09706	5.8
79.05028	2.4
79.05494	53.4
81.07059	72.5
83.08629	13.6
85.02908	2.5
85.06554	3.6
86.09717	2.8
91.05477	32.0
93.07050	62.6
93.07643	3.4
95.04963	3.2
95.08614	63.9
97.06561	3.1
97.10165	6.1
105.07041	18.9
107.08596	35.5
109.10172	26.9
117.07027	9.0
119.08573	22.8
121.10146	27.8
123.11703	11.2
129.06911	3.2
131.08569	13.2
133.10153	15.1
135.11685	15.4
141.35417	2.3
145.10107	9.9
147.11697	8.7
149.13261	10.7
159.11726	8.3
161.13261	7.6
163.14793	3.2
171.11673	4.0
173.13248	7.5
175.20773	2.4
183.95332	2.8
184.07362	8.0
187.14842	4.7
212.98117	2.1
241.19650	3.7
243.21158	5.7
259.20630	3.1
261.22134	20.8
307.22745	4.7
317.24829	4.5
331.26474	3.3
333.24118	5.2
335.25803	100.0
336.25983	4.4
337.27206	6.5
462.24118	2.5
567.43585	2.5
595.47400	13.2
613.48065	10.5
624.06885	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	792.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	22.1
55.88704	2.9
57.03416	5.1
57.07072	7.9
57.67269	2.8
60.79835	2.7
63.22002	2.9
65.03922	4.7
67.05507	89.1
69.03426	9.4
69.07085	18.6
71.05000	3.6
71.08658	3.5
74.09737	3.6
79.05493	69.6
81.03421	11.9
81.07059	100.0
81.07533	6.1
83.04974	6.2
83.08610	13.4
85.02910	13.0
85.06522	3.7
91.05484	41.1
93.07047	81.0
95.04966	8.6
95.08613	71.6
95.42607	3.1
97.02892	6.0
97.06538	7.1
97.10167	5.6
100.35332	3.3
105.07034	39.5
107.08595	51.4
109.10169	36.2
117.06992	17.7
119.08581	27.6
121.06480	3.4
121.10146	41.7
123.11715	20.4
124.60756	3.7
127.03905	3.0
129.07054	7.1
130.15901	6.0
131.08560	28.6
133.10136	27.1
135.11703	36.9
137.13254	9.3
143.08540	4.1
145.10121	22.3
147.11702	23.4
149.09666	4.1
149.13232	24.6
157.10083	6.6
159.11691	17.9
161.13272	15.9
163.14818	13.8
165.12714	4.8
171.11551	4.5
173.13246	20.2
175.14888	5.5
177.16362	5.8
179.14378	5.2
179.25674	3.1
184.07367	4.9
187.14845	11.3
211.14793	3.2
243.21120	26.7
259.20566	8.0
261.22122	83.0
279.23135	4.8
303.23474	3.2
315.23425	4.9
335.25824	34.9
347.26187	4.3
353.26935	17.2
369.24203	15.1
387.25162	8.2
405.26309	8.8
423.27405	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	791.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
65.03935	5.5
67.05522	1.7
69.03436	1.7
71.49106	1.2
78.04698	1.7
79.05489	4.7
81.03423	1.2
81.13332	0.9
82.04196	1.8
85.02895	4.3
91.05485	13.5
92.06284	1.9
93.03410	2.4
95.04983	2.0
97.02902	1.0
97.06509	1.7
103.05460	4.3
106.04202	1.5
107.04972	17.7
108.11886	0.9
110.03678	3.3
111.04450	1.2
113.81411	0.9
115.05461	8.0
117.07029	8.0
119.04997	5.8
120.05729	6.2
121.06489	2.7
123.04421	4.7
124.05218	2.2
125.05997	3.2
126.86234	1.0
127.05438	1.6
129.06964	1.3
131.04955	5.5
133.02856	1.2
133.06511	2.7
135.04434	3.1
137.05991	9.5
140.06229	0.9
142.02632	3.3
143.04979	1.3
144.04230	0.9
145.06502	10.1
147.04442	5.8
147.08022	1.2
148.05208	9.1
149.06010	1.2
151.03951	2.2
151.07573	1.5
153.05475	2.8
154.06258	1.3
155.06059	3.9
157.06502	1.6
159.04507	1.2
160.05229	0.9
161.05945	5.1
162.06772	1.0
163.03911	1.4
163.07506	1.2
165.05484	16.7
167.07048	61.5
171.06560	2.6
173.05994	14.0
175.07594	3.0
177.05521	2.0
179.07117	1.4
181.04965	100.0
182.05432	1.0
184.03711	1.3
185.06030	1.3
189.05481	2.0
191.07022	2.1
195.06363	1.1
201.05426	2.1
203.07031	2.6
205.05032	3.2
205.08615	6.8
208.07333	1.6
213.05458	1.4
219.06473	2.5
220.07320	9.0
221.08043	2.9
231.06555	1.6
233.08116	3.8
234.08931	2.8
235.09654	9.4
267.06653	1.0
277.08594	1.3
287.05386	1.2
291.10181	2.4
319.53772	0.9
325.10785	1.0
346.79834	1.0
355.11771	3.4
357.13364	1.8
367.11877	1.7
370.14493	1.6
373.13153	2.0
385.12872	18.2
386.13074	1.3
387.14490	2.7
398.13824	9.9
401.12454	1.9
415.13837	7.0
416.14688	92.2
417.15286	7.5
430.12750	2.3
496.65363	1.1
522.97839	0.9
530.05817	1.0
612.21484	3.6
613.22827	32.6
614.23053	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
65.03936	6.2
67.05505	2.7
69.03426	1.9
69.70627	1.6
69.70943	5.2
73.04820	0.9
74.84649	1.0
75.67205	1.0
78.04716	2.7
79.05492	5.9
81.03398	1.2
82.04208	1.3
85.02892	2.5
91.05480	15.9
92.06274	2.4
93.03389	2.1
95.04967	3.6
97.02893	1.7
98.21494	1.1
103.05473	5.8
105.07009	2.3
106.04189	1.3
107.04949	16.3
108.02116	1.9
110.03680	1.8
111.04418	1.8
115.05455	7.3
117.07031	8.6
118.04176	1.5
119.04977	9.0
120.05717	5.5
121.06534	2.4
123.04430	7.6
124.05198	2.4
125.05982	3.5
127.05393	1.0
129.07036	1.9
131.04933	9.4
133.02835	0.9
133.06499	3.5
135.04420	3.3
137.05028	1.6
137.05986	20.4
138.03102	1.7
141.06964	1.1
142.02592	3.0
143.04898	1.8
144.05646	1.1
145.06488	12.8
147.04414	8.2
147.08034	2.6
148.05212	9.0
149.05977	1.6
151.03900	2.9
151.07547	1.6
152.04724	1.5
153.05486	4.3
154.06171	2.0
155.04897	1.5
155.06036	4.2
157.06537	1.6
159.08029	1.2
160.05144	1.3
161.05972	6.5
162.64122	1.0
163.07532	1.7
165.05486	20.2
166.06201	1.1
167.07050	68.0
171.04413	1.1
171.06512	2.9
171.07872	0.9
173.05988	16.0
175.03987	1.3
175.07524	3.8
177.05548	2.0
179.06987	2.0
181.04962	100.0
182.05379	1.6
186.06816	1.4
187.07365	1.4
189.05478	2.1
190.06311	1.4
191.06956	3.6
201.05487	3.1
203.07031	3.6
205.04939	1.9
205.08614	8.8
208.07329	1.6
209.08101	1.1
213.05528	1.4
214.06201	1.5
219.06511	2.9
220.07289	8.3
221.08043	2.9
231.06590	1.1
233.06184	1.0
233.08116	5.3
234.08867	4.7
235.09663	7.4
261.08939	0.9
265.08218	1.0
269.63950	1.0
276.07562	0.9
277.08765	1.0
279.10355	1.2
291.10202	1.1
293.08044	1.3
325.10754	1.8
355.11670	2.6
357.13315	2.6
367.11813	1.5
373.12921	1.5
385.12881	24.1
386.13239	1.5
387.14304	8.1
398.13599	13.5
401.12231	2.3
415.13791	6.8
416.14673	99.7
417.15219	10.6
430.12573	4.1
578.83270	1.0
583.21216	1.9
612.22009	1.0
613.13251	1.7
613.22784	31.6
614.22894	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.1
56.05033	1.0
57.07071	0.1
58.06630	0.5
60.08165	6.2
67.05516	0.6
69.07081	0.2
70.06583	0.1
71.07376	3.3
71.08626	0.2
71.28156	0.2
79.05484	0.4
81.07040	0.5
83.08647	0.1
86.09708	30.5
87.10059	0.3
91.05491	0.4
93.07055	0.4
95.08620	0.4
97.06538	0.1
98.98462	3.9
104.10744	3.0
105.07034	0.3
107.08588	0.3
109.10174	0.3
119.08586	0.2
121.10190	0.1
125.00008	20.3
131.08533	0.1
143.01082	0.2
184.07343	100.0
185.07666	0.8
207.85040	0.1
249.35588	0.1
439.30429	0.1
439.37106	0.2
496.34238	0.2
610.44849	0.3
690.46899	1.5
691.47229	0.1
720.83655	0.1
754.52625	0.2
772.54834	0.8
790.56091	2.7
791.55603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.6
55.05272	1.7
55.05518	21.3
57.03436	10.6
57.07078	2.4
59.04993	1.1
61.02913	3.4
61.03218	1.1
64.78766	1.2
65.03945	3.4
67.05508	74.3
69.03422	7.4
69.07071	24.5
71.05000	26.6
71.24057	1.7
77.03919	1.2
79.05499	41.3
81.03423	11.4
81.07061	100.0
83.04990	10.1
83.08622	11.7
84.21590	1.1
85.02902	4.6
85.06541	7.6
86.09709	2.6
91.05487	44.8
92.05808	1.4
93.07050	41.7
95.04977	10.2
95.08614	21.3
97.02907	3.7
97.06547	12.8
97.10188	8.0
99.04444	2.4
99.08098	2.3
103.05477	2.1
105.04494	1.8
105.07034	32.5
106.07317	1.8
107.04961	5.9
107.07882	1.8
107.08600	30.7
109.02898	1.9
109.06561	6.0
109.07172	1.0
109.10151	12.2
111.04419	1.8
111.08096	4.7
113.09644	1.4
115.05419	1.3
116.90387	1.0
117.07016	12.4
119.08595	16.7
121.06518	2.8
121.10136	12.5
123.08052	3.3
123.11705	13.1
124.99992	1.4
125.09636	6.7
127.03933	2.0
129.05510	2.5
129.07004	3.5
131.04904	1.1
131.08559	14.3
132.08939	1.2
133.10132	26.5
134.10446	1.3
134.49934	1.2
135.08032	4.1
135.11716	11.5
139.03908	1.5
141.06992	1.9
143.08585	4.3
145.10150	9.7
147.08052	1.3
147.11687	9.1
149.09590	5.7
149.13284	10.3
151.11176	5.7
155.08537	1.5
157.10133	2.3
157.58327	1.2
159.11667	8.2
161.13274	3.5
163.11240	6.1
169.10095	1.8
171.11647	2.4
173.04619	1.5
173.13239	3.6
175.14775	1.2
177.12749	1.8
178.80229	1.1
179.14354	2.1
183.11920	1.5
183.13858	2.8
184.07352	8.1
185.13322	1.3
187.13329	4.2
189.11192	2.1
191.62819	1.2
195.13844	4.3
197.13222	1.5
198.68449	1.1
211.13321	1.7
213.14857	1.8
215.17999	1.6
225.14912	2.0
227.12813	10.1
229.19637	1.3
236.90733	1.1
239.17986	1.4
243.15976	2.5
257.19226	1.8
259.20770	1.5
267.15985	3.7
268.16199	1.8
269.17535	11.2
275.20087	15.7
293.21011	2.8
301.20047	18.5
349.23746	14.3
350.24130	1.5
397.25986	1.8
423.27457	4.1
427.27145	2.6
437.28998	13.8
449.29031	10.2
451.30676	3.8
455.30380	1.6
463.30591	14.3
477.32101	1.9
481.31586	4.0
495.33331	24.3
499.34088	3.6
517.35284	30.5
518.35693	2.3
531.36774	4.2
535.36707	2.0
539.29242	1.6
541.35254	2.9
542.35614	2.6
543.36737	20.0
561.37292	2.6
575.39594	9.6
581.33630	1.6
593.40710	2.3
602.71216	1.2
607.34485	2.7
622.15747	1.3
639.36224	1.2
687.84149	1.1
730.99286	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.9
55.05518	26.7
57.03425	16.1
62.47964	3.8
65.03917	6.1
67.05507	69.5
69.03431	4.7
69.07071	22.9
69.85568	12.1
69.85969	6.5
71.04980	13.6
79.05501	75.9
81.03423	59.5
81.07061	71.6
83.04981	8.3
83.08629	24.6
85.06549	5.6
87.62034	3.5
91.05489	73.4
93.07047	64.0
95.04972	23.9
95.08616	42.2
97.06532	7.8
97.10149	13.5
99.08104	4.0
99.27505	4.2
99.61431	4.1
105.07044	61.2
107.04963	6.9
107.08598	36.5
109.06522	5.5
109.10145	16.6
115.05395	4.5
117.07028	20.4
119.08595	42.7
121.06536	6.5
121.10143	31.8
123.08064	7.1
123.11700	4.0
125.09644	11.9
129.07008	20.2
131.08562	36.0
133.10136	33.3
135.08058	7.1
135.11690	12.6
137.09624	4.9
142.07813	5.9
143.08556	20.0
145.10133	27.1
147.11696	19.6
149.09576	7.3
149.13261	4.1
153.52391	4.1
155.08559	5.9
157.10132	18.0
159.11670	21.0
161.13255	8.2
169.10144	10.4
171.11720	11.4
173.13272	9.3
175.11134	4.4
175.14749	5.1
183.11736	9.5
184.07315	7.6
185.13220	15.6
193.12225	10.3
199.14839	5.7
207.11501	3.9
210.73491	4.1
211.13116	6.2
213.54764	4.0
226.33017	3.9
227.12852	7.3
241.19600	6.7
259.20645	14.6
267.15833	25.6
276.64120	3.9
299.23724	6.3
333.24231	8.3
421.25830	8.7
433.30902	10.8
451.31750	12.1
469.33093	7.4
517.35156	5.0
525.35779	66.3
543.36798	100.0
544.37286	7.7
557.38062	9.0
567.37122	4.5
575.39447	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	790.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
55.05515	36.5
56.05843	1.5
57.03440	18.5
57.07067	3.5
59.04717	1.7
59.05005	30.2
61.02921	4.9
65.03935	4.3
67.05509	100.0
68.05856	1.1
69.03423	4.3
69.07076	14.1
71.01368	1.2
71.04991	13.8
71.08620	1.5
79.05025	1.4
79.05499	47.1
81.03426	10.7
81.07059	57.9
82.07392	1.3
83.04987	5.1
83.08631	16.6
85.02905	6.3
85.06546	3.2
85.10190	1.2
86.09723	2.6
87.04471	44.0
89.06047	1.4
91.05486	24.8
93.07049	43.9
94.07390	1.7
95.04965	6.8
95.08611	38.4
97.02887	5.0
97.06540	3.9
97.10177	18.6
99.04459	18.3
99.08120	1.5
101.05982	1.2
102.15593	1.1
105.04517	1.8
105.07030	17.8
106.07393	1.3
107.04967	2.7
107.08608	26.3
109.02856	1.2
109.06528	3.3
109.10162	51.1
110.10462	1.5
111.04486	3.2
111.08083	2.9
115.03936	1.2
117.07031	6.4
119.08584	15.7
121.06507	2.2
121.10146	18.8
123.04568	1.3
123.08091	2.1
123.11687	4.9
124.99992	2.3
125.09639	16.0
127.03925	1.2
127.63180	1.0
129.05505	1.4
129.07037	3.3
131.08589	10.2
133.08653	1.1
133.10132	7.6
135.11688	10.6
137.09596	1.7
143.08560	2.3
143.10687	1.8
145.10103	9.0
147.11694	7.9
149.09570	2.8
149.13243	4.6
155.10660	4.3
157.10150	2.1
159.11714	5.9
161.13284	4.3
163.11201	3.9
163.14783	1.6
165.12823	1.1
169.10065	1.7
171.11731	2.5
173.11754	13.2
173.13248	4.2
175.06142	1.3
175.11299	1.8
175.14862	2.4
179.64885	1.1
184.07324	11.6
185.13246	1.9
187.14760	2.1
189.11250	1.4
191.10701	2.1
193.12280	3.4
197.13216	1.2
199.13255	10.6
199.14804	1.4
206.24857	1.3
209.11664	1.8
216.97084	1.1
217.14337	1.5
223.13434	2.5
227.12817	7.4
229.14366	34.3
241.14362	3.9
243.21086	3.3
257.13983	3.3
259.20657	1.9
261.22153	9.8
267.15942	6.2
268.16339	1.2
276.20432	1.3
277.21664	1.7
283.15607	1.1
289.21744	1.6
315.18100	4.9
317.24756	1.5
329.19821	1.1
335.25806	55.9
336.26218	3.8
363.25204	3.9
389.26862	1.5
459.34549	1.7
477.35800	13.1
489.29028	2.0
489.35852	33.9
490.35986	1.5
527.36993	1.9
529.38000	1.4
543.36743	1.6
575.39191	3.9
593.40503	1.8
606.00439	1.2
610.45477	1.7
665.90594	1.3
716.27496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.9
55.05515	36.9
57.03440	21.7
57.07068	3.0
59.04717	2.1
59.05008	39.5
61.02927	2.2
65.03941	3.9
67.05511	100.0
69.03429	4.0
69.07078	15.6
69.42025	9.2
69.59775	1.1
71.04995	11.4
73.02911	1.4
79.05025	1.2
79.05498	45.4
81.03417	6.5
81.07059	58.4
83.04992	6.1
83.08634	15.6
85.02904	5.7
85.06542	3.5
86.09706	3.7
87.04472	57.8
87.52099	1.1
89.04051	1.2
91.05489	23.2
93.07050	44.4
95.04985	5.3
95.08614	42.3
95.09087	0.8
97.02903	3.9
97.06537	4.8
97.10175	15.6
99.04465	17.5
105.04543	1.6
105.07034	14.5
107.04970	1.5
107.08595	27.0
109.06539	3.3
109.10166	53.6
111.04444	1.3
111.08072	3.5
117.07021	7.1
119.08589	14.6
121.06466	1.7
121.09350	1.4
121.10162	18.4
122.63916	1.1
123.08075	2.8
123.11727	4.8
125.00007	2.0
125.09627	17.3
127.03867	1.4
129.07016	1.8
131.08566	11.1
133.10153	9.6
135.08099	1.6
135.11711	11.4
137.09613	3.3
143.10638	1.9
145.10141	10.2
147.11678	6.4
149.09637	2.3
149.13280	5.3
150.21864	1.2
151.14912	1.2
153.12752	1.3
155.10703	3.8
157.10103	1.5
159.11737	6.7
161.13263	4.4
163.11209	4.3
163.14865	2.2
169.95343	1.1
171.11697	1.5
173.11751	15.7
173.13266	5.4
175.14861	2.7
175.59999	1.2
181.12270	1.4
184.07326	9.3
185.13307	1.3
187.14761	1.7
189.11284	2.2
191.10744	2.9
193.12198	1.6
197.13347	1.1
199.13269	12.0
199.14870	1.7
209.11800	1.2
217.14337	2.1
227.12715	6.0
229.14374	39.2
229.16615	2.6
241.14432	3.6
241.19539	1.9
243.21095	3.2
257.13977	3.1
259.20599	1.8
261.22198	13.7
267.15964	5.2
283.15366	2.4
315.17981	7.6
317.24710	2.2
335.25830	63.4
336.26169	2.4
363.25247	2.2
433.31030	1.4
459.34830	1.4
477.35736	18.3
489.35751	43.3
489.42892	2.1
490.35730	3.1
517.35266	1.6
538.77789	1.4
543.36829	3.3
561.37592	2.1
575.39252	4.4
593.40399	2.9
756.01270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.2
55.05516	43.3
57.03442	17.6
57.07062	4.2
59.04719	1.7
59.05002	22.0
61.02918	4.5
61.82898	1.3
65.03931	4.6
66.09679	1.3
67.05507	100.0
68.05820	2.0
69.03434	8.0
69.07072	19.7
69.81410	1.3
71.04993	14.3
71.08636	1.9
71.50499	2.1
73.02914	2.1
74.12487	1.3
79.05022	2.0
79.05495	56.8
81.03419	12.4
81.07061	74.6
82.03766	1.9
83.04983	6.9
83.08626	18.6
85.02909	9.6
85.06534	4.2
86.09702	3.4
87.04471	33.9
89.06011	4.2
91.05486	34.9
93.07047	50.5
95.04980	7.0
95.08608	42.6
96.05282	1.7
97.02892	5.7
97.06528	2.8
97.10180	21.3
99.04456	21.6
103.03931	1.5
105.04515	2.1
105.07034	18.1
107.04958	4.1
107.08599	33.8
108.09071	1.8
109.02898	1.6
109.06499	4.4
109.10163	47.8
111.04437	4.5
111.08084	4.7
117.07031	8.9
119.08582	18.9
120.08841	2.5
121.06521	2.8
121.09353	1.9
121.10159	23.6
123.08083	2.9
123.11707	6.6
125.00060	1.8
125.09649	21.9
129.07011	2.5
131.08571	11.1
133.08594	2.0
133.10129	10.8
135.08095	1.9
135.11696	12.1
137.09624	3.2
137.13237	1.7
143.08632	1.4
143.10664	3.9
145.10153	9.9
147.11662	7.1
149.09634	3.1
149.13245	8.1
151.11145	1.5
153.12785	2.1
155.08568	1.9
155.10661	3.1
157.10129	2.7
159.11710	7.1
161.13313	2.5
163.11249	6.6
163.14833	3.4
173.09598	2.2
173.11751	12.8
173.13286	4.9
175.14851	2.2
177.12814	1.8
179.62691	1.6
183.11658	1.8
184.07346	10.6
187.14883	3.3
189.11205	1.7
191.10733	2.3
193.12201	3.8
197.13289	1.3
199.13315	9.9
201.16393	2.2
209.11864	1.7
217.14377	1.5
223.13231	2.0
223.16823	1.4
227.12680	7.1
229.14359	31.1
241.14294	5.4
243.21162	4.8
257.13779	4.5
259.20541	2.4
261.22205	14.9
267.15805	9.9
268.16318	3.3
275.20074	3.5
283.15585	2.3
299.23746	2.0
315.18057	9.2
317.24707	1.8
327.23334	1.7
333.18936	1.9
335.25830	71.4
336.26147	7.6
337.26492	2.3
363.25385	2.1
432.81473	1.5
459.34665	1.9
477.35754	26.2
489.35767	29.7
490.36325	1.8
529.38068	2.4
543.36877	3.0
575.39410	3.5
593.40222	4.1
610.44708	2.8
772.64514	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	18.7
55.05513	39.4
57.03439	24.7
57.07074	2.2
59.05000	2.6
61.02920	6.5
63.40605	1.7
65.03943	6.0
67.05508	100.0
69.03426	13.2
69.07073	59.8
71.01363	2.1
71.04995	10.8
71.50036	2.3
73.02924	3.8
77.03923	1.7
78.43180	1.4
79.05498	75.3
81.03425	72.0
81.07059	81.4
81.91685	1.5
83.04989	23.9
83.08620	26.3
83.16698	1.4
85.02912	26.7
85.06535	4.1
86.09687	1.8
91.03937	2.2
91.05486	81.5
93.07045	60.0
94.07877	1.7
95.04974	37.6
95.08611	52.2
96.99934	1.5
97.02885	8.7
97.06529	24.0
97.10174	15.2
98.07315	2.9
98.11785	1.5
99.04456	1.8
99.08103	3.7
103.05447	3.3
105.04575	1.8
105.07037	62.7
107.04961	21.1
107.08605	38.0
109.02895	2.5
109.06506	12.5
109.10162	36.1
111.04450	3.1
111.08079	11.9
113.06013	3.7
115.05459	3.8
116.04723	3.2
117.07035	18.6
119.04917	1.8
119.08585	47.9
121.06517	7.5
121.10162	23.3
123.08061	9.5
123.11697	4.9
125.00044	2.0
125.09625	13.2
127.03915	2.6
128.06213	1.9
129.05476	6.4
129.07022	18.1
131.08588	27.8
133.06488	5.0
133.10124	40.9
135.08057	4.5
135.11694	12.6
137.09615	17.3
139.11234	1.8
141.06978	3.0
142.07787	4.6
143.07086	3.3
143.08571	6.0
145.06512	2.4
145.10121	20.1
147.08028	5.5
147.11697	25.8
149.09613	29.4
149.13268	5.5
151.11192	5.9
153.09146	1.7
155.08565	4.2
155.10675	2.2
157.08720	3.6
157.10123	21.9
159.11702	11.5
161.09636	4.8
161.13235	6.8
163.11182	14.6
165.09160	2.3
165.12749	2.9
169.10165	3.8
171.10208	2.3
171.11699	5.5
173.04489	2.1
173.09615	2.1
173.11754	6.5
173.13275	7.0
175.11194	20.1
175.14880	2.7
177.12776	4.3
179.14348	5.4
183.11670	3.3
184.07349	4.9
184.82339	1.7
185.13237	3.3
187.11249	2.5
189.11235	6.1
193.12253	50.4
194.12547	1.6
195.13809	2.7
197.13344	3.7
199.13327	3.2
201.12613	1.9
201.16406	1.9
205.12151	2.3
211.13301	56.7
223.13391	2.3
227.12659	8.8
229.14328	8.5
229.19472	2.9
239.17917	2.6
249.14886	2.4
253.14258	3.5
255.15927	2.3
257.19110	8.1
259.20618	3.8
267.13330	2.7
267.15936	25.2
269.17404	5.3
273.18506	5.8
275.20081	39.5
283.15250	2.3
285.16977	36.5
291.19577	8.0
293.21164	3.6
301.16586	11.8
331.22446	1.9
349.23734	44.8
350.24289	1.9
363.21613	2.9
365.23074	5.0
367.25128	2.0
381.22632	4.3
410.27673	1.9
421.25974	4.9
439.26923	12.8
445.29501	2.9
447.27396	2.5
459.27313	1.8
463.30341	7.0
495.29117	3.7
531.36560	1.8
539.33398	2.1
541.35266	10.4
557.34479	3.9
559.36285	37.7
575.35645	9.4
577.37183	1.9
665.98566	1.8
728.27100	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.5
55.05507	35.8
57.03442	31.5
57.87724	2.9
59.38233	2.8
61.02934	3.6
65.03931	4.8
67.05510	86.5
67.05862	2.9
69.03436	19.0
69.07078	52.3
69.90324	2.9
70.95441	7.5
71.04989	24.5
73.02913	6.6
79.05500	81.4
81.03423	69.7
81.07060	91.6
83.04977	29.9
83.08617	29.5
85.02910	37.7
85.06547	6.5
91.05485	74.8
93.07047	72.4
95.04981	33.8
95.08618	37.9
97.02901	17.4
97.06535	100.0
97.10181	10.1
99.08118	7.0
102.08537	3.2
105.04477	5.1
105.07043	62.1
107.04966	20.6
107.08603	34.1
109.02898	5.0
109.06532	22.0
109.10172	16.0
111.04451	8.3
111.08078	18.5
113.06032	6.3
115.05441	6.5
115.07579	21.7
117.07014	25.8
119.08587	47.7
121.06517	11.1
121.10133	21.7
123.08073	8.5
127.03954	8.8
128.06236	3.9
129.05521	3.8
129.07008	19.1
131.08546	37.1
133.06529	9.2
133.10138	38.4
135.08081	14.7
135.11697	11.5
141.07060	6.7
143.08603	9.7
145.06387	3.5
145.10124	15.2
147.08075	10.6
147.11670	17.6
149.09593	15.3
149.13278	10.5
151.11203	7.1
155.08598	4.0
157.10158	19.6
159.08089	5.0
159.11713	13.8
161.09654	8.8
163.11241	6.8
165.12801	4.0
171.11722	5.2
173.04468	8.7
175.11192	22.1
177.12784	8.7
184.07359	9.7
185.13275	3.4
189.11171	4.3
189.12704	4.1
193.12256	43.5
211.13322	60.5
217.15881	14.1
223.13376	3.4
227.12810	5.2
233.15446	6.6
245.18988	4.9
251.16481	3.6
253.14395	6.5
255.17427	6.7
267.15924	20.7
269.17514	21.6
273.18536	36.8
275.19986	4.5
283.15479	10.2
285.16977	62.7
291.19543	19.0
299.38248	3.5
307.18900	3.2
310.93573	3.2
347.22256	13.3
349.23929	4.6
365.23221	8.8
437.25174	3.8
447.27829	3.6
461.29010	11.2
465.28528	3.7
477.28268	7.5
479.30093	24.6
501.32889	3.1
517.31812	3.8
539.33521	4.3
557.34760	16.0
575.35657	12.4
593.36267	6.6
680.59351	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	9.1
55.05514	22.2
57.03442	12.7
57.07072	2.1
60.08170	2.6
65.03930	5.0
67.05511	55.4
69.03406	1.5
69.07072	24.5
71.04972	2.3
71.24148	3.0
79.05495	47.0
81.03423	4.4
81.07059	60.2
83.04981	6.7
83.08620	9.8
85.06544	3.7
86.09709	12.4
91.04906	3.1
91.05486	57.6
93.07047	48.1
95.01361	2.7
95.04960	9.6
95.08614	40.5
97.06542	16.7
97.10164	3.4
99.04469	3.8
105.04565	1.5
105.07036	52.3
107.04952	12.2
107.08595	24.5
109.06520	6.8
109.10152	12.6
111.08089	3.7
114.93253	1.7
115.05498	2.4
115.63309	1.5
117.07032	13.5
119.08588	25.8
121.06521	3.2
121.10156	15.5
123.08057	3.0
123.11697	3.3
124.99970	7.8
129.07028	4.2
131.08568	23.3
133.10149	27.5
135.08142	2.4
135.11728	10.6
137.09633	3.5
143.08569	4.4
145.10118	17.5
147.11708	10.1
149.09602	5.1
149.13290	3.8
150.30801	1.6
156.87494	1.5
157.10136	2.8
159.07988	1.5
159.11676	11.2
161.13297	3.3
163.11163	2.4
165.64267	1.5
169.10120	1.6
171.11728	2.3
173.13257	5.6
177.12782	2.1
179.14339	5.7
184.07353	31.6
185.07689	4.5
185.13326	1.7
201.16399	2.7
203.14322	2.4
205.71611	2.0
219.17465	82.9
233.15215	2.0
239.18102	2.0
249.75804	1.6
257.19031	4.5
275.20078	51.4
293.21030	2.5
328.54623	1.5
335.25821	77.2
336.26089	3.2
349.19800	2.3
349.23749	22.8
543.40131	2.5
567.75336	1.7
599.42114	2.3
609.45184	100.0
610.45239	4.9
749.11505	1.6
751.35773	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
56.05040	1.0
57.07082	0.2
58.06640	0.4
60.08167	6.1
67.05491	0.3
70.06604	0.2
71.06985	0.2
71.07377	4.0
71.08647	0.2
72.17421	0.1
75.84385	0.1
76.97553	0.1
79.05493	0.2
81.07044	0.3
83.08617	0.1
86.09708	32.1
87.71599	0.1
91.05518	0.1
93.07024	0.2
98.20745	0.3
98.98473	4.0
99.12921	0.1
104.10752	3.1
105.07042	0.1
109.10142	0.1
125.00009	22.7
136.02153	0.2
136.06168	0.7
143.01057	0.2
148.48480	0.1
166.02718	0.2
167.06879	0.1
184.07346	100.0
185.07635	0.5
219.97763	0.1
240.90167	0.1
242.32683	0.1
271.52136	0.1
353.22839	0.1
496.33926	0.2
568.74915	0.1
571.47461	0.2
690.46930	0.8
710.68109	0.1
730.49408	0.2
745.45221	0.1
770.53320	0.7
788.54358	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	788.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.8
55.05518	11.0
57.03445	6.9
61.02925	2.1
65.03936	2.0
67.05510	24.6
69.03425	3.6
69.07072	15.0
71.04995	4.4
71.50062	1.5
79.05077	1.7
79.05498	23.5
81.03428	38.2
81.07066	28.8
83.04988	5.0
83.08626	9.6
85.02898	2.6
85.06528	1.8
86.09688	2.9
91.05486	30.4
92.05756	1.1
93.07050	18.6
95.01335	3.3
95.04969	14.7
95.08622	15.4
97.02897	2.9
97.06540	9.9
97.10165	3.0
99.04490	1.1
103.05431	1.2
105.07039	36.1
107.04978	10.0
107.08611	12.0
109.06561	4.9
109.10185	5.6
111.04410	1.6
111.08064	4.5
117.07032	8.8
119.08593	21.9
121.06512	2.5
121.10163	9.7
123.04449	1.2
123.08055	3.0
123.11690	1.9
125.00014	1.2
125.09636	2.9
127.03895	1.2
129.07028	6.2
131.08582	14.1
133.06493	2.2
133.10147	20.1
135.08080	2.9
135.11679	3.9
137.09615	2.4
139.11197	1.4
143.08580	2.9
145.06432	1.5
145.10141	8.1
147.08022	2.0
147.11705	9.5
149.09627	6.7
149.13248	2.0
151.11179	2.1
155.08479	2.3
157.10138	7.1
159.08037	1.0
159.11696	6.5
161.13216	2.3
162.09151	2.0
163.11139	2.6
165.12689	1.1
169.10138	1.3
171.11641	1.5
173.13240	2.1
175.11191	5.0
175.15022	1.3
177.12698	1.6
179.14340	4.2
183.11684	1.8
184.07339	7.8
185.13225	1.1
187.11241	1.4
193.12291	7.5
211.13229	5.0
219.17480	6.2
230.15410	1.9
253.14297	2.4
257.19067	2.8
267.15948	38.0
275.20081	24.4
276.20459	1.2
285.16901	2.0
292.19147	5.9
293.20773	1.5
322.53363	1.2
349.19806	1.6
349.23758	15.6
365.23004	1.0
369.02032	1.0
479.29941	2.8
529.39020	1.2
541.35291	100.0
542.35809	5.2
559.35992	3.1
591.35828	1.4
608.43756	2.5
626.45001	2.0
648.53644	1.2
661.07324	1.0
788.49237	6.0
824.72180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.9
55.05516	27.5
57.03203	1.2
57.03444	14.4
57.07065	4.3
61.02929	6.6
65.03946	5.8
67.05510	66.9
67.74895	1.2
69.03419	4.6
69.07075	23.7
69.36755	5.1
69.37189	5.2
71.04987	2.6
73.02899	2.0
74.74017	1.3
77.03949	1.9
78.93810	1.1
79.05501	53.6
81.03407	5.1
81.07064	63.3
82.07394	1.2
83.04978	6.7
83.08633	11.6
85.02899	5.1
85.06531	4.0
87.04440	1.2
89.38658	1.2
91.03952	2.7
91.05489	61.1
92.05801	1.4
92.26856	1.3
93.07050	56.2
94.88583	1.3
95.04962	9.1
95.08614	45.5
97.02887	6.7
97.06522	4.8
97.10191	7.7
99.08115	1.6
103.05459	4.0
105.04525	1.9
105.07038	46.4
107.04945	4.9
107.07899	1.6
107.08611	27.2
107.18279	1.2
109.06496	5.8
109.10167	11.9
111.08073	3.2
115.05403	8.4
116.06234	3.6
117.07023	28.5
119.04942	1.5
119.08583	30.8
121.06507	7.0
121.10154	18.9
123.08072	7.2
123.11686	4.5
125.02391	1.2
125.09601	3.0
127.03954	1.8
128.06241	16.6
129.05476	1.8
129.07010	22.6
130.07802	9.0
131.08580	53.9
133.06493	8.3
133.10149	18.7
135.08112	6.4
135.11685	10.0
137.09613	2.4
141.07011	9.8
142.07759	5.3
143.08578	48.7
144.09392	1.5
145.06514	2.5
145.10133	56.2
146.10555	1.8
147.08060	6.9
147.11708	10.1
149.09596	3.4
149.13245	5.3
153.06952	1.6
155.08615	7.2
156.09338	1.3
157.08752	2.2
157.10130	17.4
159.08034	3.0
159.11713	13.1
161.09636	9.4
161.13255	4.7
163.11176	4.9
165.07008	2.1
167.08554	4.0
168.73549	1.2
169.10127	10.8
171.08006	1.6
171.11702	13.5
173.09644	3.1
173.13271	4.3
175.11172	4.5
177.12759	3.1
179.08595	1.3
180.09444	1.4
181.10172	7.4
183.11646	6.7
184.07437	2.4
185.09599	2.6
185.13243	5.5
187.11171	2.2
189.12827	1.5
195.11740	12.1
197.13272	1.4
199.11162	2.8
199.14861	2.9
201.12704	2.3
213.12807	2.9
213.16420	2.0
227.17924	5.6
237.16412	14.7
245.19052	5.8
255.17447	13.8
257.18881	1.5
261.22153	6.0
273.15543	2.7
273.18500	54.5
274.18878	2.9
283.01843	2.0
291.19550	4.3
329.21078	4.8
330.15314	1.5
335.25824	100.0
336.26175	3.4
347.22177	29.6
353.25940	1.3
359.46103	1.5
365.23102	2.4
446.93744	1.3
503.86102	1.4
526.39691	1.5
561.37482	2.5
589.42328	1.3
607.34430	2.2
607.43677	40.2
608.43555	2.2
625.44464	7.7
701.22583	1.4
787.48706	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.0
55.05273	3.4
55.05514	42.7
55.78144	1.9
57.03440	15.6
57.07058	3.3
61.02944	10.8
65.03931	6.1
67.05509	89.8
69.03421	8.2
69.07078	25.4
69.36441	8.0
69.36872	9.6
71.04983	4.5
73.02917	4.3
79.05501	70.8
81.03409	7.6
81.07063	93.5
83.04982	8.7
83.08627	17.8
85.02913	11.1
85.06544	3.0
86.09692	3.6
91.03966	2.5
91.05487	100.0
93.07049	76.5
95.04972	12.1
95.08610	61.7
97.02893	6.0
97.06523	7.6
97.10155	7.9
99.08094	3.3
103.05428	2.6
105.07036	78.5
107.04966	11.8
107.08601	37.6
109.06516	15.3
109.10166	19.4
111.08074	5.4
113.06039	2.4
115.05442	11.4
116.06224	5.4
117.07031	54.6
119.04926	3.9
119.08585	50.2
120.08916	2.7
121.06505	6.3
121.10150	22.9
123.08093	10.9
123.11763	4.2
125.09657	7.2
127.03954	3.7
128.05396	3.0
128.06235	26.8
129.05513	3.7
129.07027	34.5
130.07822	10.8
131.08575	87.7
133.06509	9.3
133.10149	31.9
135.08037	10.3
135.11714	9.9
137.09593	2.9
141.06985	14.3
142.07787	6.8
143.08571	99.4
144.09227	2.7
145.06480	4.9
145.10127	91.4
147.08093	14.1
147.11707	11.3
149.09607	7.9
149.13274	4.3
154.07875	2.5
155.08521	7.5
156.09377	2.9
157.10155	33.3
159.08061	5.1
159.11705	28.2
161.09639	16.0
161.13255	3.3
163.11180	6.0
165.06941	5.8
165.12735	3.6
166.07738	2.2
167.08618	6.1
169.10143	18.6
171.08055	2.8
171.11719	20.4
173.09648	5.8
173.13303	5.5
175.11176	6.5
175.14900	4.1
177.12770	5.4
181.10126	11.6
183.11708	12.5
184.07365	7.2
185.09634	2.4
185.13298	13.7
187.11205	3.2
189.12779	3.0
193.10085	2.1
193.12236	3.0
195.11705	26.1
197.13277	2.8
199.11264	2.9
199.14821	3.7
201.12874	3.7
209.13293	3.7
211.14905	3.4
213.12805	3.6
227.17938	8.1
237.16440	25.5
241.14429	3.3
245.19043	7.1
255.17426	23.4
261.22214	6.6
273.18518	86.8
274.18735	3.4
275.20111	4.3
291.19565	6.0
314.24149	2.2
317.24731	2.2
329.21164	9.5
330.15262	3.6
335.25824	94.6
335.29871	4.8
336.26266	4.1
347.18274	4.4
347.22205	44.4
348.22345	3.0
461.49921	2.4
504.38016	3.2
593.27393	8.2
604.86066	3.3
607.43591	55.6
608.44135	4.7
625.44806	10.6
648.45758	2.3
787.46643	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
66.84653	0.2
69.03426	0.7
71.04990	0.2
71.48515	0.2
79.01855	4.2
81.03412	1.9
81.85352	0.2
82.94231	0.2
83.01382	0.2
85.02911	0.4
87.13796	0.2
91.05478	0.6
97.00560	0.2
97.02879	1.4
101.03935	0.2
101.86794	0.2
103.05470	0.8
107.01320	0.8
109.02878	1.1
113.03947	0.2
117.28545	0.2
119.04967	0.5
125.02357	1.4
126.88010	0.2
127.03910	4.1
129.03398	0.5
131.04916	1.0
133.06462	0.2
143.03401	3.3
145.05092	0.2
147.04427	1.2
153.01836	48.3
153.02917	3.7
154.02206	0.6
157.02808	0.9
159.04410	0.7
163.03935	0.8
171.02957	0.4
173.02412	0.4
175.03917	2.1
177.05536	0.2
179.03363	0.4
185.02306	0.9
187.03915	4.9
187.05553	0.3
189.05429	0.2
191.03331	1.4
201.01817	0.5
203.03372	3.5
205.04965	0.5
207.02884	0.7
209.04417	0.4
213.01849	3.4
215.03395	3.7
219.02907	0.8
221.04390	0.4
229.01361	0.5
230.02036	0.4
231.02881	19.3
232.03244	0.5
233.04439	0.7
237.04008	1.6
241.01321	3.4
247.02440	0.5
257.00842	0.7
259.02383	30.7
260.02783	0.8
261.03928	1.2
267.04984	0.3
275.01849	1.2
276.02570	1.2
277.03430	100.0
278.03757	2.0
279.05035	0.8
285.00348	0.6
287.05472	0.2
297.06165	1.3
303.01340	13.3
304.01535	0.3
304.90790	0.2
306.18668	0.2
315.07260	0.2
321.02441	1.2
363.03625	1.1
410.35593	0.2
449.06897	0.5
467.08289	0.5
617.07465	0.4
721.64038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.0985
Annotation	Nobotanin D
Peak:m/z	Relative Intensity
69.03454	0.5
70.83827	0.6
72.18549	0.2
77.06358	0.2
79.01865	4.0
81.03421	1.8
91.05500	0.4
97.02911	1.1
99.04477	0.3
100.22752	0.2
103.05475	1.0
107.01343	0.7
109.02869	1.0
119.04944	0.6
125.02331	1.4
127.03920	3.6
129.03362	0.2
131.04942	0.8
143.03400	3.7
147.04417	1.0
153.01842	48.0
153.02911	3.1
154.02182	0.6
157.02864	1.3
159.04436	0.5
163.03899	0.9
171.02954	0.4
173.02354	0.3
175.03928	2.1
179.03448	0.5
185.02336	1.6
187.03914	4.7
191.03462	1.5
193.04945	0.3
201.01831	0.5
203.03406	3.8
205.05035	0.7
207.02907	0.8
209.04475	0.5
213.01843	3.9
215.03389	4.2
219.02917	0.7
229.01331	0.4
230.02103	0.4
231.02901	19.4
232.03188	0.4
233.04489	0.8
237.03999	1.7
241.01338	3.6
247.02467	0.8
257.00830	0.7
259.02402	30.8
260.02704	1.0
261.03955	1.6
267.05042	0.5
275.01950	1.2
276.02725	0.9
277.03442	100.0
278.03757	2.6
279.04919	0.7
285.00357	0.6
297.06177	1.3
303.01367	12.6
304.01810	0.3
321.02386	1.3
330.14963	0.2
334.39206	0.3
363.03540	1.1
449.06903	0.5
617.07770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	21.5
57.03434	11.2
57.07061	14.3
67.05507	54.4
68.05857	4.8
69.03403	5.1
69.07056	16.8
69.17980	38.9
69.18387	7.5
71.04980	11.3
71.08613	12.1
79.05486	31.1
81.03424	34.2
81.07059	66.2
83.04981	6.2
83.08611	18.2
85.02882	8.8
86.09705	11.0
91.05505	26.4
93.07058	23.2
95.04967	10.4
95.08630	26.8
97.02866	5.1
97.10153	7.1
98.21526	10.9
105.07018	19.7
107.08582	18.2
109.10151	12.5
111.08046	6.0
117.06999	10.3
119.08598	10.9
121.10162	14.3
124.99961	9.2
129.06992	11.1
131.08554	15.4
133.10103	16.5
145.10104	6.4
147.08098	4.9
147.11641	6.2
157.10135	6.6
159.11682	6.5
184.07364	38.5
193.12248	13.4
211.13350	17.0
220.76457	5.7
227.20044	7.6
267.15826	6.5
269.17484	7.1
285.16910	11.4
301.20157	24.0
313.27298	17.5
335.25861	27.7
503.37390	100.0
504.37772	6.1
523.39734	14.5
524.40240	10.5
525.40607	16.7
561.41974	29.7
607.42938	6.2
642.78418	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	786.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.8
57.07064	0.3
58.06361	0.2
58.06627	0.5
60.08170	5.9
67.05513	0.6
69.07078	0.2
69.27942	1.4
71.07381	3.8
71.08648	0.3
79.05463	0.2
81.07055	0.4
86.09710	31.2
87.10023	0.2
88.62950	0.2
89.78909	0.2
95.08569	0.3
98.98470	3.5
104.10756	3.3
109.10158	0.6
117.05459	0.2
125.00013	20.8
129.82437	0.2
133.73235	0.2
184.07350	100.0
185.07742	1.2
227.20058	0.3
349.59448	0.2
467.37170	0.3
516.33490	0.2
647.43378	0.3
786.52734	5.3
787.53326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99390	0.3
69.03419	0.8
71.48784	0.6
71.50989	0.3
81.03438	1.7
85.02901	0.9
91.05447	0.5
97.02892	0.6
99.04385	0.4
102.54626	0.3
103.05457	1.2
109.02863	1.0
119.04984	0.8
127.03890	1.2
129.03351	0.6
131.04919	0.8
134.91837	0.4
145.02858	0.4
147.04352	1.7
153.01840	1.5
157.02908	1.1
163.03952	0.4
173.02336	0.7
175.03920	2.5
185.02383	1.7
187.03891	5.8
201.01826	0.6
203.03389	4.1
213.01842	4.2
213.20578	0.4
215.01505	0.5
215.03391	4.4
219.02856	0.6
229.01341	1.1
231.02888	20.0
232.03273	0.3
241.01318	4.2
247.02359	1.2
257.00790	1.4
259.02402	33.3
260.02856	0.8
275.01810	2.0
276.02661	1.1
277.03442	100.0
278.03787	1.3
281.52115	0.5
285.00360	0.8
289.03290	0.5
302.00723	0.4
303.01337	18.5
304.01892	0.5
315.01465	0.9
321.02478	1.5
328.99301	0.6
345.02509	1.3
355.04477	0.8
383.03656	0.4
385.05606	0.5
387.03427	0.5
399.03143	0.5
401.05121	0.4
411.03302	0.7
429.04541	1.4
447.05682	1.0
453.01208	0.5
465.06570	0.7
785.08783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.6
55.05278	1.3
55.05515	18.0
55.35595	1.0
55.59743	0.9
57.03440	15.1
57.07079	35.1
61.88650	1.1
67.05508	29.1
69.03419	4.8
69.07076	14.1
69.25928	10.3
71.04972	4.4
71.08635	22.7
73.02908	2.3
79.05497	20.5
81.03422	57.6
81.07059	35.0
83.04980	14.1
83.08158	2.0
83.08624	27.1
85.02906	19.3
85.06554	2.3
85.10188	16.3
86.09702	2.8
89.06028	1.5
91.05482	28.8
93.07051	14.0
95.04968	23.4
95.08614	24.6
96.37808	1.0
97.02926	1.5
97.06515	3.7
97.10175	6.3
98.71610	1.1
99.04439	1.8
99.08073	1.4
99.11732	1.3
105.07038	19.1
107.04991	5.1
107.08604	7.7
109.02871	3.7
109.06522	3.0
109.09479	1.5
109.10163	12.8
110.03654	2.5
111.04436	3.6
111.08086	6.5
113.05989	2.0
117.06995	1.6
117.71484	1.1
119.08588	17.3
121.06474	2.7
121.10149	7.5
123.08011	2.3
123.11722	5.4
124.99982	1.5
125.09625	2.6
127.03914	1.9
128.06212	1.0
129.06985	8.8
131.08571	12.2
133.06496	2.7
133.10153	13.1
135.11653	1.7
137.09593	1.8
142.07773	3.0
145.10083	1.4
147.08028	3.0
147.11725	13.3
149.09648	5.7
157.10120	14.2
165.12732	4.1
175.11194	13.9
184.07341	9.2
193.12253	42.6
195.98105	1.3
211.13297	74.1
212.13580	1.5
239.23689	5.2
257.24734	1.8
258.65295	1.3
267.13055	1.8
267.15927	33.3
269.13202	1.0
285.16977	60.4
286.17508	1.9
287.69318	1.3
313.27374	76.4
314.27396	2.6
465.25098	1.5
493.17181	4.1
505.38885	24.4
511.18347	3.6
523.39984	100.0
524.39929	5.2
539.28607	5.2
567.18372	1.2
581.19409	1.3
718.80829	1.2
749.32367	1.3
779.17908	1.3
779.31702	1.1
784.48187	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	783.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03429	0.6
61.02930	0.6
68.99793	0.9
69.03437	3.9
69.03809	0.1
69.64550	0.3
69.64954	0.2
71.05001	0.6
73.02921	0.7
79.05473	0.1
79.05993	0.1
80.38539	0.1
81.03425	4.4
83.01330	0.2
85.02911	5.9
87.00836	3.0
91.03935	0.2
97.02901	2.5
99.04468	1.4
105.01872	1.4
105.03368	0.2
107.04961	0.2
109.02892	4.4
111.00808	0.5
115.03936	0.1
117.01867	0.6
121.02876	2.8
127.03932	5.1
129.01801	0.4
133.02859	0.5
134.08060	0.1
134.97882	0.1
135.04420	0.1
137.02339	0.7
140.17476	0.1
145.04964	1.7
145.06271	0.1
145.06477	0.1
147.02864	0.3
147.04393	0.6
153.01845	3.4
157.06461	0.2
159.02904	2.2
165.00581	0.1
165.01849	1.5
183.02936	0.7
185.05984	0.3
197.06041	0.2
199.04001	0.1
213.04115	0.1
213.05537	1.1
231.04678	0.7
231.06760	0.3
241.04979	0.9
245.04472	0.1
258.05258	0.8
259.06030	0.4
269.04333	0.2
287.05511	100.0
288.05856	2.9
288.08368	0.1
299.05667	0.2
329.06485	0.8
353.06363	0.2
395.07758	0.2
439.05661	0.1
449.10809	2.1
517.09717	0.4
535.10870	13.3
536.11340	0.8
721.25543	0.1
721.38947	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	781.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05507	2.0
57.03447	2.7
57.07069	1.6
59.05026	0.6
60.08170	2.7
61.02930	3.9
63.62024	0.4
67.05505	6.5
69.03440	3.7
69.07072	3.1
71.04989	1.6
71.07373	1.7
71.08638	1.1
71.77325	0.4
73.02926	3.6
74.09755	0.5
74.51564	0.5
75.74068	0.5
79.05499	3.0
80.62126	0.4
81.03436	3.9
81.07063	6.4
82.90089	0.5
83.04988	0.5
83.08618	2.5
85.02914	5.0
85.06561	0.7
86.09712	13.9
87.04469	0.9
87.10033	1.8
91.03958	2.5
91.05482	3.4
93.07054	4.1
95.04975	1.6
95.08607	5.6
97.02902	4.3
97.06518	1.0
97.10168	1.1
98.98485	2.2
99.04462	1.0
100.47167	0.5
101.02389	2.0
105.07037	2.1
107.04941	0.5
107.08617	2.1
109.02853	0.7
109.06478	0.7
109.10149	2.7
111.08094	0.7
115.07640	0.5
119.08617	1.6
121.10176	2.0
125.00012	9.8
127.03949	1.3
129.07065	0.8
131.08609	1.2
133.10162	1.3
135.11685	0.9
135.20796	0.5
145.10110	0.9
147.11688	1.1
149.09668	1.4
150.94684	0.4
157.10133	1.1
163.11221	0.9
167.42783	0.4
171.30792	0.5
175.11209	0.6
181.71344	0.5
182.21693	0.4
184.07352	44.5
185.07718	5.4
186.07874	0.7
193.12259	1.0
203.05428	0.7
225.14830	0.9
227.12903	1.4
243.08464	1.9
283.15143	4.5
313.27341	0.9
337.27762	0.8
339.17932	0.8
412.98679	0.5
501.22995	7.8
521.30939	6.9
521.38641	4.3
522.30841	0.8
677.46112	1.2
781.47052	100.0
782.47449	7.7
810.17706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05510	2.4
57.03430	2.4
57.07069	1.4
57.60768	0.7
61.02935	5.1
67.05502	7.7
69.03416	3.4
69.07064	1.3
70.94778	0.8
70.95110	1.2
71.07378	1.3
73.02914	4.4
79.05486	5.6
81.03423	2.0
81.07056	6.7
83.08621	1.5
85.02902	7.1
86.09711	5.2
91.03965	3.2
91.05487	2.4
93.07031	4.6
93.47989	0.6
95.04991	0.7
95.08609	5.1
95.51865	0.7
97.02902	5.9
97.84383	0.7
98.98501	1.3
99.04472	0.8
101.02387	2.4
105.07019	1.6
107.08614	2.7
109.02904	1.1
109.10172	5.2
111.04478	1.4
113.65965	0.8
117.07013	0.8
119.08595	0.8
121.10175	2.5
124.99979	4.0
127.03953	2.1
131.08556	1.1
133.10178	1.0
135.11713	1.0
141.80315	0.6
143.08578	0.7
145.05032	1.1
147.11710	0.8
176.59981	0.7
184.07339	15.1
185.07726	2.3
195.10057	1.3
209.11761	3.1
227.12865	1.0
243.08479	1.8
261.22211	0.7
335.25763	1.1
413.17862	5.2
478.65662	0.7
519.29340	10.4
521.38513	1.9
651.24182	0.8
691.40289	100.0
692.40686	5.9
736.27148	0.8
763.41370	1.6
781.43109	12.7
782.42792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.3
57.03434	1.8
59.04984	0.7
61.02926	6.4
67.05510	8.3
69.03437	4.1
69.07085	1.4
71.04990	1.3
73.02927	4.5
73.30927	0.6
75.92463	0.6
79.05500	4.0
81.03420	1.6
81.07066	5.3
83.08627	1.1
85.02914	6.0
91.03946	4.4
91.05490	2.6
93.07059	4.4
95.04965	0.7
95.08611	3.6
97.02897	5.4
97.55355	0.6
98.21558	1.2
99.04469	1.1
100.96154	0.6
101.02388	1.8
103.03980	0.7
105.06981	0.7
107.08604	1.8
109.02871	1.0
109.10155	4.9
111.04547	0.7
119.08599	1.5
121.10162	2.2
127.03971	2.1
133.10114	0.8
135.11755	0.7
139.54372	0.7
145.05103	0.7
145.10159	0.7
147.97131	0.7
163.11279	0.6
169.65569	0.7
184.07405	1.2
185.04179	1.2
195.10042	0.8
209.11771	3.6
227.12839	1.2
243.08456	2.0
335.25992	1.4
413.17767	5.8
451.14130	0.8
519.29340	9.7
521.38110	3.2
612.03595	0.7
691.40302	100.0
692.40680	4.7
781.43256	13.2
782.43976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
55.05510	1.7
57.03437	2.4
61.02929	6.4
67.05505	5.5
69.03429	4.0
69.07075	2.0
69.19694	0.4
71.01368	0.6
71.50812	0.9
73.02919	5.6
75.33226	0.4
78.12249	0.5
78.70590	0.5
79.05492	4.6
81.03407	2.7
81.07058	5.6
83.08638	0.7
85.02910	5.9
86.09744	1.3
87.04498	0.7
91.03973	3.9
91.05473	2.6
93.07050	4.6
95.04975	1.0
95.08617	4.0
97.02891	6.1
97.06535	0.6
99.04454	0.9
101.02399	2.2
103.03956	0.7
105.07060	1.8
107.08584	2.7
109.02912	0.9
109.10151	2.0
111.04476	0.5
115.03954	0.7
115.56440	0.5
117.07040	1.1
119.08591	1.4
121.10162	2.6
125.00049	1.1
127.03936	1.6
131.08580	1.0
133.10194	1.1
135.11703	1.0
145.10155	0.8
159.11734	0.7
163.11168	0.6
173.13174	0.7
184.07323	3.5
185.07719	0.7
198.93636	0.5
234.76897	0.5
243.08514	1.4
267.12094	1.5
285.13086	3.0
332.76944	0.5
335.26138	0.9
341.82816	0.5
485.20084	2.0
503.21027	1.6
512.92639	0.5
519.29370	7.4
694.96198	0.5
763.42413	5.6
781.43427	100.0
782.43787	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	780.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.1
56.05037	0.8
58.06368	0.2
58.06636	0.3
60.08165	5.7
67.05498	0.3
70.06581	0.1
70.62603	0.1
70.62938	0.2
71.06988	0.2
71.07375	3.4
79.05511	0.2
81.07070	0.2
86.09708	28.4
87.10033	0.3
91.10735	0.1
93.07038	0.1
95.08596	0.2
98.98466	3.4
104.10748	1.8
113.08658	0.1
125.00008	20.5
143.01057	0.1
151.07643	0.1
184.07346	100.0
185.07664	0.8
190.85080	0.1
283.90594	0.1
287.89551	0.1
450.85971	0.1
520.33917	0.1
780.41754	0.2
780.55219	2.0
781.54053	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91985	1.9
55.05522	1.9
60.31531	1.6
65.45644	1.8
67.05507	3.1
71.50638	2.1
73.28907	1.6
81.03443	2.1
81.07042	2.8
95.08637	2.9
107.08572	2.8
139.60376	1.8
168.01067	1.9
184.07385	4.6
188.92471	3.2
258.09253	1.9
283.06262	2.5
334.25064	2.2
391.76453	2.2
523.29224	1.8
667.45563	4.6
779.43524	100.0
780.43964	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	779.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93845	0.4
55.01883	0.5
55.05523	1.7
57.03440	2.4
59.05003	0.7
61.02935	5.4
67.05512	4.7
67.55238	0.3
69.03441	2.4
69.07064	1.1
70.16964	1.6
71.01394	0.5
71.05000	1.3
73.02928	3.5
74.53506	0.3
79.05500	3.6
80.17025	0.4
81.03411	2.5
81.07062	5.2
83.08658	0.6
85.02913	5.0
85.03379	0.5
86.09735	1.0
91.03970	3.2
91.05485	2.0
93.07055	2.9
95.04993	1.2
95.08613	3.4
97.02888	4.6
99.04482	0.5
101.02400	1.7
103.03989	0.5
105.07043	2.0
107.08589	2.1
109.02921	1.2
109.06487	0.4
109.10196	1.0
111.11691	0.3
117.07027	0.5
119.08627	1.6
121.10160	1.7
123.11758	0.5
124.99982	0.5
127.03948	1.3
128.43787	0.4
131.08580	0.7
133.10165	1.1
135.11725	0.8
145.10121	0.8
147.11723	0.9
149.09634	0.9
149.34488	0.4
153.79106	0.4
157.10178	0.4
164.55199	0.3
175.11140	0.5
184.07327	3.0
185.04295	0.6
193.12329	0.8
211.46698	0.4
224.17287	0.4
243.08490	1.7
267.15778	0.3
283.15179	4.4
302.55768	0.5
335.26144	0.5
339.17944	0.7
358.98755	0.4
501.23032	5.9
519.29321	6.1
610.72961	0.4
644.76886	0.4
779.45544	100.0
780.45776	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	779.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.2
57.03433	2.0
61.02927	3.3
67.05505	2.1
69.03425	2.8
69.07071	1.6
70.70889	0.6
70.79228	1.3
73.02914	3.4
79.05499	3.1
81.03421	3.6
81.07051	3.5
83.05016	0.7
83.08617	0.8
85.02906	5.2
86.09708	0.8
91.03960	3.0
91.05482	3.5
93.07067	3.0
95.04980	1.3
95.08614	1.1
97.02888	4.0
99.04389	0.6
101.02396	1.4
105.07053	2.8
107.08575	1.1
109.06577	0.6
119.08598	2.0
121.10143	0.9
127.03917	1.1
131.08559	1.4
133.10155	0.9
147.11745	1.1
157.10179	0.6
159.11676	0.8
175.11246	0.9
184.07396	2.2
185.04193	0.9
193.12343	1.3
221.11714	0.6
243.08409	2.8
251.12549	0.9
263.55865	0.7
307.15372	0.6
333.20453	1.5
454.37296	0.7
469.20453	10.0
473.26868	0.6
551.28333	2.9
681.34967	0.7
779.41870	100.0
780.42096	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	778.5378
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05031	0.8
58.06361	0.2
58.06627	0.4
59.07412	0.2
60.08164	6.4
67.05500	0.2
69.30833	1.3
69.77483	0.1
70.06623	0.2
71.07372	4.2
79.05477	0.2
86.09706	32.3
87.10037	0.2
88.52028	0.1
98.98467	4.1
104.10740	2.0
116.77935	0.1
125.00005	22.8
127.02792	0.1
143.01031	0.3
176.41441	0.1
184.07339	100.0
185.07680	0.5
212.04056	0.1
311.05402	0.1
413.52972	0.2
474.01401	0.1
518.31976	0.4
551.52655	0.1
595.22784	0.2
674.30914	0.2
778.53571	1.5
779.53833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	17.5
57.03440	11.9
57.07063	8.4
60.08157	2.3
67.05500	24.2
69.03444	2.4
69.07072	23.9
71.05015	2.9
71.08624	3.2
79.05502	17.5
81.03418	68.4
81.07056	28.2
83.04969	3.7
83.08620	29.4
86.09716	9.9
87.10001	1.9
91.05482	11.5
93.07029	16.7
95.04971	13.3
95.08609	21.1
97.06502	4.1
97.10188	11.8
97.10712	2.2
97.55351	1.9
105.07014	8.5
107.04970	4.2
107.08601	9.6
109.06537	2.1
109.10155	9.5
111.08077	8.0
111.11688	2.9
119.08568	12.5
121.06499	2.7
121.10130	15.7
123.04484	1.9
123.11681	2.7
124.99970	5.1
129.07019	3.7
131.08551	8.9
133.10155	4.6
135.11711	3.6
146.90729	2.1
147.04402	2.7
147.08136	3.1
147.11719	5.5
149.09535	2.7
157.10114	6.5
175.11195	7.1
179.14557	1.8
184.07353	21.1
185.07674	4.4
186.07890	2.3
193.12292	19.6
211.13274	2.7
235.46858	1.8
237.54402	2.2
265.25159	2.5
267.15924	100.0
268.15982	2.0
311.44077	2.2
339.28943	92.5
343.77393	2.0
457.36316	2.5
531.40472	76.3
532.40826	3.3
548.78882	2.1
549.41382	10.7
591.28088	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.05528	2.2
57.03431	2.3
59.71107	0.4
60.08157	0.5
61.02937	3.6
67.05508	3.7
69.03433	3.0
69.07066	2.0
70.94772	1.0
71.01365	0.4
71.05008	0.9
73.02918	3.2
76.23544	0.4
79.05501	3.3
79.53021	0.4
81.03428	3.4
81.07064	4.0
83.04995	1.0
83.08634	1.1
85.02912	5.5
86.09718	1.8
91.03956	2.5
91.05487	2.7
93.07040	3.5
95.04970	1.8
95.08614	1.9
97.02895	4.2
97.06554	0.9
97.10204	1.1
99.04495	0.7
101.02398	1.5
103.05481	0.5
105.07048	2.4
107.04967	0.8
107.08608	1.6
109.02893	0.7
109.06508	0.8
109.10187	1.3
115.03989	0.4
117.07037	0.9
119.08607	1.8
121.06530	0.6
121.10154	0.7
123.08099	0.7
125.00037	1.2
127.03954	1.0
129.07019	0.6
131.08611	1.4
133.10184	0.8
145.10135	0.8
147.11749	0.9
157.10176	0.9
161.13286	0.5
163.11263	1.2
164.49414	0.4
172.45694	0.4
176.35075	0.4
184.07384	4.1
193.12247	0.7
196.80528	0.4
201.35788	0.4
203.05453	0.5
211.13350	0.7
223.13364	0.9
243.08453	2.3
251.12674	0.5
291.19601	0.5
331.18845	1.0
333.20242	0.5
375.26840	0.5
467.19211	1.7
469.20459	5.0
541.08844	0.5
549.26697	2.5
551.28210	0.7
777.40356	100.0
778.40570	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	777.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05510	1.5
57.03441	1.3
61.02940	4.1
67.05507	3.6
69.03442	3.2
69.07084	1.6
69.44572	1.7
69.44998	1.8
71.01370	0.7
71.05008	0.9
73.02927	3.3
79.05496	3.6
81.03422	4.5
81.07060	4.4
81.19054	0.4
83.04998	1.1
83.08634	1.9
85.02919	5.2
86.08539	0.4
86.09713	1.0
87.04545	0.6
91.03975	2.1
91.05478	5.2
93.07057	2.8
95.04989	1.7
95.08610	2.6
95.33068	0.5
97.02897	4.3
99.04467	1.2
101.02393	1.2
105.07069	2.4
107.08581	1.3
109.02930	0.7
109.06506	0.7
109.10168	1.0
111.08015	0.6
115.03956	0.5
119.08612	1.9
121.06519	0.7
121.10193	1.5
123.08077	0.5
124.99999	0.9
127.03964	1.2
129.07042	1.0
131.08617	1.4
133.10156	2.8
136.24260	0.5
136.57997	0.5
142.07771	0.6
145.10159	0.5
147.08157	0.7
147.11739	1.4
149.09616	0.8
151.11226	0.6
157.10161	0.8
175.11250	1.1
184.07295	3.3
185.04282	0.7
193.12346	1.9
211.13329	0.9
243.08427	3.1
251.12698	1.4
313.17755	0.7
322.25107	0.5
331.18640	2.3
355.04974	0.5
469.20480	11.5
469.27090	0.6
531.25818	0.6
541.22614	1.0
549.26782	2.6
565.59546	0.5
679.32660	2.6
708.32098	0.6
759.39374	10.1
777.40332	100.0
778.40540	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	776.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.2
55.05514	26.7
57.03440	17.3
57.07072	6.3
61.02902	1.8
65.03958	2.3
67.05508	63.0
69.03426	3.7
69.07072	24.9
69.42532	11.7
71.04984	2.6
71.08632	1.8
79.05499	23.1
81.03422	83.0
81.07060	68.5
81.97395	1.4
83.04998	6.9
83.08627	27.3
85.02909	1.5
85.06540	2.9
85.10184	1.6
91.05483	25.5
93.07040	20.9
93.74524	1.4
95.04978	26.6
95.08611	46.1
97.02888	3.1
97.06532	5.4
97.10184	10.7
105.07037	18.7
107.04958	5.0
107.08597	12.9
109.06491	2.9
109.10172	15.6
111.04409	1.8
111.08103	7.5
117.07042	3.3
119.08585	16.6
121.06492	4.7
121.10140	12.6
123.04409	2.3
123.08064	1.6
123.11712	5.8
125.09608	3.9
129.07005	11.8
131.08589	10.2
133.06517	3.2
133.10120	12.9
135.11687	6.3
137.09618	3.2
137.13260	2.1
138.57512	1.3
142.07791	1.8
145.06392	1.6
145.10138	5.2
147.08064	3.9
147.11705	13.6
149.09630	5.2
149.13364	1.4
151.11252	1.4
151.14830	1.8
154.35893	1.4
157.10103	9.2
159.11775	2.6
161.13280	4.5
163.11127	2.5
163.14850	2.3
165.12701	2.1
175.11157	7.9
184.07341	3.6
193.12247	23.4
211.13361	3.0
222.07889	1.4
227.12854	2.4
245.22621	3.4
249.14900	2.6
263.23560	6.5
267.15924	100.0
268.16278	1.8
289.21591	1.7
301.14294	2.7
309.16904	2.0
337.27390	88.9
382.34918	1.5
435.27594	1.7
455.35181	4.9
473.36414	4.0
529.38910	78.1
530.38922	4.0
547.39948	46.6
548.39832	2.8
561.41003	2.5
571.39618	4.9
637.40887	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.8
55.05515	38.1
57.03444	17.8
57.07074	2.4
59.04991	3.3
61.02920	3.1
62.73432	1.1
63.97383	1.0
65.03928	3.7
67.05509	100.0
69.03418	4.1
69.07074	18.1
69.38591	2.7
69.39015	5.5
70.03468	0.9
71.01340	1.7
71.04981	4.9
73.02914	1.5
79.05024	1.4
79.05498	48.4
81.03447	5.4
81.07062	58.4
82.07400	1.1
83.04982	7.1
83.08160	1.3
83.08627	17.4
85.02917	15.2
85.06530	3.1
86.09705	3.4
87.04475	6.2
91.05486	28.3
92.05755	1.1
93.07048	38.8
95.04951	5.5
95.08612	41.3
97.02904	3.7
97.06528	4.8
97.10180	20.6
103.03941	1.3
105.04506	1.5
105.07043	17.7
107.04971	2.1
107.07887	1.7
107.08602	29.1
109.06524	3.3
109.10165	54.4
110.10496	1.2
111.04439	1.3
111.08079	4.7
117.07021	6.2
119.08590	14.8
121.06533	2.1
121.10146	20.2
123.08085	2.3
123.11727	6.0
125.00021	2.0
125.09631	16.5
129.06985	2.0
131.08560	12.5
133.10132	9.9
135.08028	1.7
135.11694	11.9
137.09634	3.3
139.11185	2.9
143.08569	1.5
143.10690	2.8
143.40149	1.0
145.10115	8.2
147.10706	1.1
147.11694	8.0
149.09627	2.2
149.13309	5.3
153.12762	1.4
155.08569	1.2
155.10684	5.0
157.10110	1.9
159.11714	4.9
161.13280	4.6
163.11192	3.9
163.14822	3.1
169.17630	1.1
171.11684	2.4
173.09618	1.2
173.11758	11.1
173.13268	3.9
175.11266	1.8
175.14830	1.5
181.12207	1.2
184.07324	8.3
185.13309	1.7
187.14885	2.6
191.10617	3.0
192.80641	1.0
193.12279	3.0
199.13326	10.1
209.11755	3.4
217.14159	1.4
227.12810	5.6
229.14362	43.4
243.21115	3.7
245.13895	2.3
259.20493	2.0
261.22125	15.1
267.15918	2.7
283.15570	1.5
289.21695	1.3
300.15088	1.1
301.16440	14.8
301.21759	1.1
303.22992	1.5
315.23743	1.0
316.14606	1.0
317.24829	2.0
327.23160	1.4
333.24231	1.5
335.25812	65.8
336.26147	3.4
363.25156	2.2
451.32150	1.2
459.34586	1.4
477.35764	8.4
489.35828	13.2
517.35608	1.6
543.36371	2.2
561.37909	6.2
787.17181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
56.05038	0.5
57.07082	0.4
58.06609	0.3
59.07384	0.3
60.07896	0.3
60.08168	4.7
67.05498	1.1
69.07072	0.7
69.61852	0.8
69.62276	0.9
71.07372	2.7
71.08625	0.3
79.05500	0.6
81.07059	1.0
83.08611	0.6
86.09710	23.8
87.10049	0.4
91.05488	0.6
93.07045	1.0
95.08621	0.5
97.10151	0.3
98.21497	0.3
98.98473	2.1
104.10766	1.7
105.07032	0.7
107.08612	0.5
119.08643	0.2
123.11746	0.3
125.00009	15.3
133.10149	0.2
167.05505	0.3
177.80812	0.3
184.07347	100.0
185.07678	0.9
239.09621	0.3
255.23285	0.3
308.29382	0.6
311.25885	0.3
496.34198	0.2
602.45007	0.7
603.45905	0.8
655.80353	0.3
756.55304	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	775.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.6
55.05510	41.4
57.03438	12.0
57.07067	6.4
61.52394	4.7
61.66529	4.4
65.03920	7.6
67.05507	100.0
68.63660	4.2
69.03419	15.6
69.07080	29.0
70.99251	10.0
71.05003	7.1
79.05499	74.1
81.03436	9.0
81.07060	98.3
83.08620	13.1
85.02901	7.2
85.06528	5.3
86.09694	14.9
91.05471	47.0
93.07048	71.5
95.04960	7.8
95.08620	77.3
97.06558	7.3
97.10184	7.5
99.08103	6.1
105.07024	41.5
107.08595	40.5
108.28667	4.6
109.06522	11.2
109.10133	35.9
111.04459	5.1
112.99996	9.5
117.07027	23.6
119.08571	35.1
121.10138	31.4
123.08047	5.4
123.11713	11.0
124.99986	7.6
129.06982	14.3
131.08607	31.9
133.10153	28.1
135.08093	8.5
135.11697	16.1
143.08609	11.9
145.10135	26.4
147.11671	18.3
149.09634	10.0
149.13254	17.6
149.80826	5.0
157.10152	7.5
159.11702	19.4
161.13283	7.9
163.14867	6.9
169.10072	7.6
171.11678	9.8
173.13260	21.0
175.11116	6.3
183.11700	5.2
184.07370	43.8
185.07645	5.7
185.13258	9.7
189.16277	5.2
259.20758	8.8
261.22131	11.0
301.21661	5.5
303.22998	4.9
308.85056	5.9
335.25769	82.0
345.24347	8.8
369.24228	10.6
387.25394	6.2
405.26331	6.7
419.27435	4.9
437.85339	4.6
479.30325	5.2
613.47968	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56354	1.8
55.01868	2.1
55.05513	16.2
57.03447	14.4
57.07067	2.6
65.03934	3.6
67.05505	57.7
69.03411	2.3
69.07077	9.6
71.05002	4.1
79.05495	38.4
81.03420	71.3
81.07058	50.4
83.04974	7.3
83.08620	17.9
85.06539	2.3
85.74709	1.8
86.13321	1.7
91.05486	32.6
93.07045	41.0
93.07520	1.7
95.04967	24.4
95.08067	3.2
95.08610	34.5
97.02849	2.5
97.06533	2.8
97.10162	6.1
105.07032	22.2
107.04936	4.5
107.08595	19.4
108.71558	2.1
109.06522	5.7
109.10157	11.0
111.08076	5.3
117.07011	6.0
119.08591	19.6
121.06510	3.4
121.10155	19.0
123.11691	7.1
125.09607	3.3
129.07008	8.2
131.08553	15.4
133.06532	3.5
133.10115	10.3
135.11656	7.2
137.09642	2.8
139.99651	1.8
142.07848	2.6
143.08531	3.6
145.10135	10.5
147.11678	9.4
149.09610	4.3
149.13245	6.8
151.00995	1.9
157.10159	10.1
159.11693	5.5
161.13223	3.2
163.11089	2.3
163.14772	3.0
165.12759	2.0
171.11690	3.0
173.13287	4.5
175.11157	8.8
187.14853	3.9
189.11147	2.5
191.10591	2.1
193.12224	23.2
211.13295	2.6
221.96280	2.0
227.12621	8.6
243.21103	6.4
247.17061	1.8
249.14807	2.9
261.22083	15.5
267.15921	100.0
301.25308	4.9
317.24670	2.9
335.25809	72.1
336.26190	3.7
435.32471	6.7
453.33719	6.2
471.34573	3.0
527.37360	61.1
528.37573	3.5
545.38373	46.0
546.38757	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.2
55.05513	20.2
57.03442	16.0
65.03931	4.1
67.05514	57.7
69.03416	2.3
69.07074	16.9
71.04997	4.3
77.03916	1.6
78.23524	1.5
79.05499	44.9
81.03424	88.2
81.06597	3.5
81.07063	56.1
83.04990	5.7
83.08626	23.0
85.06544	2.5
91.05493	36.3
93.06491	3.3
93.07052	48.5
93.55654	2.2
95.04983	25.7
95.08617	46.4
97.02893	4.2
97.06512	5.0
97.10152	5.6
98.21552	3.6
99.08142	2.2
105.07041	28.6
107.04935	5.8
107.08603	20.8
107.16877	1.8
109.06518	5.6
109.10165	21.9
111.08069	7.3
117.07035	8.8
119.08598	23.6
121.06515	2.7
121.10160	23.7
123.04425	2.0
123.08086	4.5
123.11709	7.7
125.09645	7.4
128.68716	2.1
129.07002	11.4
131.08591	18.9
133.06487	3.2
133.10153	15.7
135.08055	2.2
135.11678	14.6
137.09644	2.4
137.13278	2.5
142.07785	3.6
143.08549	4.2
145.06531	1.9
145.10127	9.1
147.08101	2.3
147.11702	14.0
149.09570	5.1
149.13271	6.2
155.36064	2.1
157.10130	12.8
159.11742	6.2
161.13280	5.4
163.14830	3.8
165.12776	1.7
169.10069	1.9
171.11678	2.7
173.13251	5.4
175.11189	10.6
187.14790	3.5
189.11192	5.2
193.12265	24.9
204.42357	1.8
225.38121	1.9
227.12778	8.2
228.68060	1.8
243.21097	6.0
261.22186	20.1
267.15930	100.0
269.37857	1.9
279.23291	3.2
301.25327	7.6
305.11737	1.8
309.17001	3.0
317.24640	3.1
335.25833	94.8
417.31744	1.9
421.25983	2.4
435.27362	2.0
435.32550	5.3
453.33734	8.5
471.34732	4.6
527.37366	67.5
528.37427	3.0
545.30542	3.3
545.38403	48.8
569.38214	5.5
635.18231	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.0
55.05514	27.6
57.03445	21.7
61.02936	3.4
65.03926	5.5
67.05505	65.0
69.03425	7.9
69.07078	27.7
69.90235	11.6
71.04987	10.3
79.05500	68.5
81.03421	78.2
81.07058	84.6
83.04992	24.0
83.08627	28.2
85.02907	27.2
85.06551	5.6
91.05486	68.3
93.07048	59.1
95.04963	35.7
95.08615	28.7
97.02889	7.4
97.06541	12.2
97.10170	5.7
98.21483	2.8
99.08082	2.9
103.05438	4.3
105.07034	44.6
107.04963	15.9
107.08589	30.3
109.06528	7.1
109.10133	10.5
111.04433	3.8
111.08112	13.6
117.07009	13.8
119.08567	40.8
121.06495	4.4
121.10141	26.5
123.08052	7.1
123.11731	4.6
125.09625	5.0
128.06197	2.8
129.07007	16.0
131.08580	29.2
133.06520	4.9
133.10135	24.4
135.11708	14.0
137.09634	4.8
143.08565	4.3
143.93599	2.6
145.10161	12.3
147.08086	3.3
147.11699	17.1
149.09660	12.8
149.13242	11.1
157.10187	16.5
159.11707	12.3
163.11174	7.2
165.12729	3.8
173.04468	3.8
173.13261	2.6
175.11180	16.8
177.12718	6.2
187.11020	2.6
193.12254	51.9
195.13745	6.8
211.13289	72.3
227.12852	3.3
255.15919	11.7
257.19046	5.4
267.15918	40.8
269.17484	50.3
275.20090	28.0
285.16968	80.0
338.53638	3.2
349.23691	22.6
367.24817	4.5
439.26797	3.0
443.27896	4.6
447.27545	12.0
461.29111	36.3
465.28558	20.5
479.30099	100.0
479.36969	4.8
480.30447	4.6
541.34991	7.2
559.36346	20.9
577.37109	3.0
623.34656	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	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	12.3
55.05273	3.3
55.05515	39.0
57.03440	27.8
57.35579	2.8
57.74056	2.1
61.02923	5.6
65.03922	2.9
67.05508	77.8
68.91011	2.7
69.03436	12.2
69.07071	33.8
69.55762	6.0
69.56174	8.8
71.04987	9.8
79.05031	3.0
79.05496	87.4
81.03422	88.9
81.07059	100.0
83.04984	30.9
83.08621	48.1
85.02901	32.9
85.06510	4.3
91.05487	82.8
93.07047	65.5
95.04974	39.1
95.08615	35.5
95.09202	4.0
97.02901	7.6
97.06535	17.3
97.10168	18.3
99.08071	3.8
101.06019	2.6
105.04528	3.5
105.07035	57.0
105.29926	2.2
107.04958	23.1
107.08601	44.1
109.06501	11.0
109.10152	14.0
111.04455	4.0
111.08086	15.7
113.06046	4.0
113.09643	3.3
115.05467	3.9
117.07010	19.5
119.08578	46.7
119.09370	3.1
121.06509	7.0
121.10145	25.5
123.08064	8.4
123.11700	5.6
125.09659	15.6
127.03893	2.5
129.06999	21.0
131.08575	38.8
133.06520	3.1
133.10130	35.3
135.08066	6.4
135.11702	11.4
137.09654	4.8
142.07784	2.8
143.08551	3.9
145.05008	2.6
145.10146	17.3
147.08022	5.7
147.11682	32.6
149.09630	20.2
149.13246	6.9
151.11179	2.6
157.10120	21.2
159.11664	14.8
161.13264	6.5
163.11252	13.8
165.12756	4.4
169.10132	4.2
171.11655	4.1
173.13246	4.6
175.11198	17.3
177.12753	3.3
185.13242	2.6
189.11290	6.9
193.12253	54.4
195.13831	4.7
201.16255	2.4
211.08998	2.4
211.13289	70.6
227.12759	20.3
229.19600	2.4
239.17915	3.5
247.20702	3.4
255.15910	5.2
257.19025	9.6
267.15921	33.7
269.17474	18.9
275.20084	42.0
285.16992	71.2
331.22726	3.7
349.23776	34.6
350.23941	2.7
430.93839	2.5
447.27417	7.5
461.29129	18.8
465.28552	13.0
479.23572	4.0
479.30035	50.6
480.30524	3.2
541.35223	13.9
559.36365	43.7
577.37616	5.5
623.34802	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.0
55.05508	26.5
57.03444	14.3
57.07083	3.9
61.02928	19.0
65.03941	5.0
65.19353	2.3
67.05505	70.5
69.03419	12.1
69.07067	23.2
69.19154	22.8
71.04995	5.3
71.87069	2.3
73.02910	9.6
77.60896	2.3
79.05495	62.0
80.05859	2.5
81.03418	11.4
81.06597	5.3
81.07058	72.4
83.04978	6.4
83.08617	15.5
85.02914	14.6
85.06519	3.3
86.09711	3.2
91.03950	5.2
91.05482	65.3
93.07047	67.3
95.04975	9.8
95.08614	55.2
97.02890	11.2
97.06527	6.0
97.10147	5.1
98.21561	5.3
103.05452	3.6
105.04530	3.6
105.07030	57.8
107.04976	5.6
107.08602	44.8
109.06506	3.7
109.10163	26.9
109.80368	2.9
115.05418	3.7
117.07008	24.7
119.08582	48.4
121.10144	31.1
121.97649	2.4
123.08050	4.6
123.11691	7.3
125.00012	2.3
128.06166	3.7
129.07018	16.3
131.08569	39.0
133.10143	39.9
135.08029	3.3
135.11667	17.6
141.07001	7.5
142.07863	3.2
143.08533	18.1
145.10132	34.9
147.11691	30.3
149.09694	3.2
149.13235	13.9
155.08546	7.4
156.09332	3.3
157.10150	19.0
159.11714	30.8
161.13295	24.0
163.14803	6.0
169.10121	13.4
171.11679	16.8
173.13269	20.3
175.11270	3.8
175.14825	10.4
181.10091	4.0
183.11703	9.5
184.07307	5.1
185.13249	16.2
187.11215	4.5
187.14816	5.6
195.11855	3.0
197.13271	5.3
199.14796	8.6
202.13712	2.5
209.13188	5.3
211.14764	3.9
212.78055	2.4
213.16434	4.0
215.17883	3.8
219.17477	2.8
221.13214	4.2
225.16342	3.6
231.21107	4.9
233.19000	2.6
241.19487	23.0
243.21172	7.0
257.18954	4.2
259.20593	38.9
260.35913	2.5
261.22141	7.1
271.20569	5.3
291.65714	2.8
301.21637	5.8
307.71106	2.7
315.23215	4.0
325.21622	2.7
333.24280	25.1
333.53268	2.7
335.25851	48.0
337.27414	3.5
339.23126	3.1
367.22736	5.5
519.41882	8.1
537.43109	3.1
593.45636	7.0
609.44946	5.1
611.46741	100.0
612.47107	5.8
623.46545	3.3
669.42084	3.1
673.01880	2.9
701.47308	3.4
719.49066	4.2
737.49438	5.3
755.51196	3.9
773.52002	16.6
778.35120	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	773.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.0
55.05517	29.0
55.84285	2.7
57.03429	14.5
57.07061	6.2
61.02934	16.6
65.03930	7.9
67.05505	97.9
69.03431	12.8
69.07072	32.8
69.70509	12.3
69.70915	6.0
71.04968	3.6
71.08567	2.6
73.02925	5.5
75.39057	2.6
75.78014	2.2
79.05497	75.6
81.03400	9.2
81.07063	89.0
83.04975	4.5
83.08633	15.5
85.02927	13.4
85.06525	4.1
91.03951	8.1
91.05482	69.8
93.07047	86.3
95.04961	10.6
95.08612	80.1
97.02873	10.4
97.06520	5.4
97.10139	4.9
98.21492	4.8
99.08071	3.7
100.15829	2.6
105.06331	3.1
105.07035	63.2
106.07278	3.0
107.08592	48.2
109.06506	5.3
109.10158	30.7
111.08076	4.2
115.05415	2.8
117.07035	26.3
119.08590	58.8
121.06504	4.7
121.10164	29.5
123.08044	3.4
123.11709	9.6
127.03971	3.4
128.06236	4.8
129.07014	21.6
131.08572	43.7
133.10139	42.7
135.08124	3.0
135.11696	26.2
141.07057	2.9
143.08577	16.3
145.06401	4.3
145.10138	42.8
147.11699	41.2
149.09575	3.5
149.13239	13.6
151.11224	4.1
155.08546	4.7
157.10135	19.1
159.11705	29.6
161.09673	3.0
161.13272	29.2
163.14789	6.3
169.10167	8.0
171.11719	20.4
173.13272	17.4
175.14787	15.7
177.12691	3.2
181.10143	4.8
183.11676	11.5
184.50838	3.6
185.13251	17.5
187.14807	9.7
189.16516	3.1
193.10155	2.7
195.11714	5.2
197.13258	6.3
199.14842	10.6
201.16481	5.0
207.11700	3.9
209.13252	4.9
211.14830	4.1
213.12910	3.2
213.16426	5.2
215.18018	5.4
225.16286	3.5
231.20959	4.6
239.17999	3.3
241.19527	26.3
243.21225	4.6
257.19049	9.9
259.20590	42.4
261.22079	7.5
277.21860	3.5
288.80048	2.6
301.21582	3.7
313.25250	3.2
315.23404	3.5
333.24249	31.3
335.25842	77.8
337.27527	4.5
351.25378	3.3
367.22614	4.0
385.23819	5.4
441.26523	3.4
519.41876	5.5
593.45355	9.7
609.44891	5.2
611.46722	100.0
612.46826	4.5
677.47729	3.5
701.47046	4.4
719.48779	3.7
737.49640	3.8
755.50391	5.8
773.50983	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36731	3.0
55.01865	6.5
55.05516	31.4
56.55787	3.0
57.03436	16.1
57.07080	4.6
61.02934	16.8
63.83626	2.7
65.03941	3.6
67.05510	82.8
69.03419	9.3
69.07081	28.1
71.04990	5.0
73.02924	7.1
74.61753	2.6
79.05500	73.2
81.03419	5.1
81.07065	75.4
83.05006	4.8
83.08618	11.6
84.48769	3.0
85.02895	13.3
85.06512	3.7
91.03975	5.7
91.05484	66.5
92.16204	2.9
93.07047	83.9
95.04965	10.2
95.08617	56.6
97.02901	11.6
97.06515	8.2
97.10156	7.9
98.21552	6.6
100.85859	2.7
105.07046	63.8
107.08616	34.3
109.06528	3.8
109.10157	24.0
109.77637	2.8
115.05421	4.1
117.07027	29.1
119.08584	54.1
119.09378	4.9
121.10154	30.5
123.08133	3.5
123.11685	9.8
128.06190	5.5
129.07005	15.6
131.08566	40.2
133.10143	33.8
135.08084	3.4
135.11703	17.7
141.06978	5.0
143.08578	17.9
145.10110	29.0
147.11688	37.3
149.13260	14.7
151.11189	6.3
155.08572	8.0
157.10132	17.6
159.11699	26.8
161.13264	30.1
163.14789	3.6
167.08488	3.4
169.10164	11.1
171.11716	18.9
173.13240	18.8
173.19852	3.1
175.11107	5.0
175.14839	10.6
181.10143	3.2
183.11670	12.2
185.13275	17.1
187.14793	10.5
195.11636	4.0
196.08440	2.8
197.13216	7.8
199.14804	9.7
201.16336	3.7
209.13420	5.2
213.16451	7.6
215.17934	3.6
231.21072	5.2
241.19556	19.6
243.21164	3.7
257.18979	5.5
259.20618	49.9
261.22147	8.8
269.09494	2.9
277.21933	3.6
301.21646	5.5
315.23199	3.4
333.24268	32.3
335.25854	62.8
367.22690	4.3
390.36795	3.3
403.24451	3.4
519.41614	6.3
593.45477	11.3
609.44318	4.2
611.46777	100.0
612.46423	5.4
623.46716	3.7
701.48010	4.7
719.47772	3.8
737.49554	4.5
755.50726	5.9
773.51318	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	773.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.7
55.05516	37.2
57.03451	16.7
57.07066	9.4
61.02932	15.0
65.03941	6.1
67.05510	93.7
69.03422	8.8
69.07076	28.0
71.04981	5.7
71.08630	3.5
71.50517	3.3
73.02927	5.9
79.05498	80.7
81.03420	9.4
81.07059	100.0
83.04975	5.8
83.08604	16.4
85.02921	14.0
85.06539	4.7
86.09692	3.0
91.03957	9.0
91.05479	69.2
93.07053	96.2
93.96346	2.3
94.07314	2.7
95.04967	13.2
95.08616	73.0
97.02902	13.6
97.06551	6.8
97.10156	9.0
99.04435	3.0
99.08077	4.5
101.02348	3.1
105.04549	4.5
105.07035	65.7
107.04939	3.2
107.08597	52.7
109.06533	5.3
109.10164	32.5
111.04456	2.7
111.08073	3.2
115.05448	5.3
117.07013	32.5
119.07809	5.0
119.08591	54.4
121.06506	2.8
121.10149	41.6
123.11703	9.6
127.03902	3.2
128.06216	4.8
129.07001	17.2
131.08574	47.3
133.10155	38.3
135.08037	6.9
135.11696	30.8
141.07024	5.8
143.08554	20.9
145.10130	39.7
147.08096	3.0
147.11688	42.4
149.09538	3.1
149.13278	18.7
155.08539	8.7
157.10139	22.8
159.11700	35.5
161.13268	29.3
163.11241	3.3
163.14806	3.6
167.08615	4.1
169.10167	10.8
171.11703	15.6
173.09747	2.9
173.13235	22.0
175.11244	2.7
175.14828	11.3
177.12770	2.7
181.10109	5.5
183.11729	9.2
184.07361	3.9
185.13260	15.9
187.11159	4.1
187.14822	7.1
191.14108	3.1
195.11702	3.7
197.13210	6.4
199.11301	3.7
199.14859	8.8
201.16380	4.1
211.14763	5.6
213.16418	6.3
227.17915	3.5
229.19521	3.7
231.21159	5.7
239.17926	3.3
241.19608	20.0
243.21069	5.5
257.19073	7.8
259.20599	42.1
261.22150	8.4
271.20547	4.1
273.22253	3.6
275.20169	3.7
277.21768	4.3
278.18320	2.9
291.19266	3.2
301.21698	6.3
304.05875	2.8
331.22714	2.9
333.24240	29.9
335.25830	79.4
351.25140	3.9
359.26074	3.1
367.22565	6.7
370.88141	2.6
385.23892	4.4
441.26270	3.8
495.35867	2.7
519.42383	6.0
537.42810	4.1
574.12549	3.0
593.45398	11.2
601.44159	6.0
609.44946	4.1
611.46722	95.3
612.47046	3.9
689.47388	3.3
701.47577	6.6
719.48633	4.4
737.49487	3.5
755.50201	6.0
773.51379	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	772.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
56.05033	0.7
57.07069	0.2
58.06601	0.4
59.07385	0.2
60.08167	6.0
66.75792	0.2
67.05499	0.8
69.03404	0.2
69.07073	0.4
70.06570	0.2
71.07371	3.2
71.08633	0.3
71.23986	0.2
71.24309	0.2
79.05494	0.6
81.07062	0.7
83.08625	0.3
86.09708	30.0
87.10050	0.3
91.05489	0.5
93.07043	0.4
95.04926	0.2
95.08611	0.5
97.10185	0.3
98.98466	3.3
102.02914	0.2
103.66386	0.2
104.10751	2.1
105.07036	0.3
106.68444	0.2
107.08604	0.3
109.10156	0.3
119.08569	0.4
121.10136	0.3
125.00003	20.3
131.08578	0.2
133.10188	0.2
135.11612	0.2
145.10104	0.3
147.11562	0.3
184.07341	100.0
185.07639	0.7
237.22005	0.2
239.09416	0.2
308.29431	1.3
339.29269	0.3
347.25821	0.3
348.25937	0.3
473.12567	0.2
601.44519	0.3
611.46515	0.3
660.52649	0.4
754.53918	4.1
755.53540	0.2
772.51569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.8
55.05515	23.2
57.03447	15.2
57.07079	2.9
58.09748	1.6
59.04980	5.4
61.02949	3.8
61.42990	1.6
65.03930	4.6
67.05511	83.0
69.03426	4.8
69.07082	21.3
71.01357	4.3
71.05003	8.6
71.07368	1.7
71.50918	2.6
73.02911	2.2
79.05499	77.6
81.03420	34.6
81.07066	79.3
83.01347	3.7
83.04980	12.0
83.05398	1.8
83.08631	14.9
85.02915	11.4
85.06537	5.0
86.09702	5.2
91.05489	42.5
93.07054	71.5
93.07649	4.4
95.04963	17.9
95.08614	50.8
96.08958	2.1
97.02892	13.1
97.06544	18.2
97.10184	4.5
99.04453	3.9
103.05478	3.1
105.04505	3.1
105.07042	25.7
107.04961	23.6
107.08595	39.7
109.06514	13.1
109.10170	21.9
111.04451	37.2
111.08072	8.1
117.07028	20.0
119.08593	27.4
121.06500	11.3
121.10149	35.3
123.08067	8.6
123.11713	5.6
125.00043	4.4
125.05984	7.3
125.09613	6.2
128.06197	2.0
129.07028	5.2
131.08575	23.6
133.10147	11.6
135.08049	6.6
135.11705	33.9
137.09595	4.9
143.08577	3.7
145.06491	2.3
145.10139	34.0
147.08069	5.0
147.11691	5.9
149.09724	3.8
149.13278	6.7
153.12730	11.4
155.08560	5.0
157.10095	3.5
159.11710	4.5
161.13289	5.5
163.11198	42.8
163.14764	2.8
171.11583	2.3
173.09636	9.9
173.13283	4.6
181.12262	8.3
184.07343	19.0
185.13281	1.9
187.14857	2.7
189.11232	2.9
191.10666	13.7
195.13884	2.1
201.16443	1.8
209.11760	18.9
223.13300	28.7
227.12769	14.4
241.14369	62.1
243.21225	2.7
259.20456	3.3
261.22174	11.6
265.14294	5.3
283.15479	24.1
287.63617	1.9
297.16907	3.2
299.23752	3.4
315.18042	84.6
317.24759	4.8
335.25836	100.0
336.26141	3.6
433.30801	4.7
451.32306	9.4
469.33344	5.2
525.35693	13.9
543.36841	85.1
544.37347	4.3
561.38092	2.5
575.39447	74.5
576.39673	4.6
610.44910	6.4
692.53711	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.2
55.05275	2.3
55.05517	25.8
55.60795	2.1
57.03447	17.2
57.07074	3.5
59.04993	3.1
60.08165	2.3
61.02927	3.9
65.03932	3.8
67.05510	67.4
69.03433	2.3
69.07073	19.9
70.08824	6.4
70.09220	3.6
71.01348	5.6
71.04984	5.6
71.86256	2.0
73.02915	1.8
79.05500	65.4
79.26167	1.6
81.03426	30.4
81.07061	74.3
83.01342	4.8
83.04990	18.0
83.08630	13.7
84.50781	1.7
85.02927	9.2
85.06551	5.6
86.09705	6.4
91.03944	2.7
91.05489	34.8
93.07051	64.9
95.04986	11.3
95.08620	43.2
97.02898	11.2
97.06528	13.0
97.10154	5.0
99.04472	5.0
103.05482	2.1
105.07034	26.2
107.04973	21.9
107.08594	35.4
109.06512	12.4
109.10178	16.6
111.04446	36.0
111.08099	4.2
113.06033	3.0
115.05423	2.6
117.07043	16.3
119.08606	23.8
121.06537	8.6
121.10148	30.5
123.08053	5.8
123.11732	3.9
124.99983	5.5
125.06018	9.6
125.09648	5.2
129.06982	7.2
130.07809	2.5
131.08577	20.4
133.10144	12.1
135.08052	5.2
135.11710	24.0
137.09607	3.4
143.08572	3.7
145.10138	33.7
147.08078	5.5
147.11681	7.6
149.09676	3.0
149.13271	4.3
153.12756	12.9
155.08571	5.1
157.10109	2.6
159.11699	5.6
161.09683	2.2
161.13280	4.2
163.11186	35.5
163.14793	2.0
173.09651	11.7
173.13280	5.3
177.12753	2.5
181.12228	6.0
184.07347	18.4
185.13213	2.1
187.14850	3.3
189.11334	1.7
191.10703	13.3
195.13860	2.2
209.11725	18.1
223.13284	29.2
227.12727	16.0
241.14339	56.0
243.21149	4.2
259.20639	2.3
261.22244	10.0
265.14389	4.5
267.15695	2.0
283.15424	25.0
297.17209	2.3
299.23685	3.6
315.18036	65.4
317.24799	4.3
333.24243	2.9
335.25824	100.0
336.26093	2.6
362.03421	1.9
433.31250	2.5
451.32031	3.3
469.32794	2.8
525.35565	10.0
543.36823	82.1
544.36407	3.1
575.39514	67.3
609.46375	2.2
610.45825	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	772.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	14.1
55.05515	39.8
55.41518	2.2
57.03441	16.5
57.07061	2.5
59.05008	3.4
61.02927	2.3
65.03943	2.4
67.05511	57.4
69.03430	10.6
69.07076	35.0
70.94694	2.6
70.95008	3.3
71.04995	6.1
71.41951	2.2
79.05502	53.9
81.03423	56.4
81.07056	63.5
83.01360	3.7
83.04989	23.3
83.08617	28.3
85.02908	19.4
85.06525	3.6
90.62031	2.1
91.05486	54.2
93.07050	48.0
95.04971	29.0
95.08609	25.5
97.02879	12.1
97.06527	10.1
97.10175	16.1
99.08085	2.5
105.04488	2.6
105.06335	2.4
105.07034	48.8
107.04971	14.1
107.08607	31.5
109.06525	8.7
109.10152	14.2
109.38614	2.2
111.04453	5.4
111.08074	7.7
115.05484	3.0
117.07003	13.5
119.04936	2.7
119.08598	32.8
121.06502	9.8
121.10146	16.2
123.08080	8.0
123.11717	3.2
125.09643	12.6
127.03908	2.7
128.06247	2.2
129.05565	2.3
129.07043	14.1
131.08572	23.2
133.06505	3.9
133.10132	23.1
135.08073	4.0
135.11679	10.5
137.09566	3.0
142.07761	2.4
143.08562	2.9
145.10138	21.0
146.57460	2.9
147.08061	7.5
147.11703	14.5
149.09624	9.4
149.13310	4.4
151.92850	2.2
153.09103	4.0
153.12772	2.2
157.10127	11.1
159.11682	6.7
161.09602	2.5
163.11206	14.0
165.12709	4.4
175.11128	11.3
183.11835	2.4
189.11201	5.8
189.12782	2.0
193.12222	27.6
195.11717	2.5
195.13731	4.0
205.12283	2.5
211.13318	41.1
223.13326	16.3
227.12814	14.8
249.14870	4.0
253.14430	3.2
257.19098	3.2
267.15915	29.3
269.17508	7.1
273.18463	14.0
275.20132	12.7
283.15366	34.2
285.16959	43.3
291.19556	100.0
292.20029	2.7
306.01276	2.2
347.22388	2.4
349.23831	9.2
365.23270	42.5
432.81174	2.9
445.17227	2.2
463.27002	4.3
477.28500	25.4
495.29871	3.9
539.33673	2.4
557.34863	42.1
575.35828	55.0
576.35901	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	772.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.1
55.05518	22.3
57.03439	9.5
57.07082	2.1
59.04999	1.4
59.28449	1.2
61.02917	2.8
63.45313	1.1
63.63049	1.4
65.03952	2.7
65.87785	1.2
67.05508	45.4
69.03439	6.5
69.07076	15.2
71.04999	7.4
71.09480	1.5
71.09811	1.6
75.27345	1.2
77.03922	1.6
79.05497	40.8
81.02944	1.3
81.03423	40.4
81.07062	63.3
83.04991	17.0
83.08620	16.6
85.02914	10.9
85.06550	6.1
86.09692	1.4
91.05486	59.9
93.06490	2.4
93.07051	34.9
95.04974	22.2
95.08617	20.5
96.74200	1.3
97.02888	3.6
97.06522	6.5
97.10162	4.1
99.04444	1.8
99.08073	1.6
105.04533	2.2
105.07039	45.6
107.04948	9.7
107.08600	30.6
109.06534	10.0
109.10164	35.2
111.04441	2.3
111.08106	6.5
111.59502	1.2
113.05993	2.9
115.05487	2.2
117.07030	7.4
119.04983	1.7
119.08591	21.9
121.06512	7.9
121.10149	10.1
123.08072	4.7
123.11731	6.6
125.09649	1.5
127.07513	1.7
128.06210	2.4
129.07036	10.4
131.08577	18.1
133.06499	4.8
133.10147	54.3
135.08029	5.0
135.11670	5.0
137.09631	2.0
141.06978	1.6
143.08548	4.4
145.10103	6.8
147.08060	5.3
147.11673	12.4
149.09627	9.4
149.13237	1.4
151.11182	23.9
155.08559	2.4
157.10139	9.3
159.08028	2.0
159.11708	3.5
161.09621	4.8
163.11165	3.9
165.12773	2.6
169.12285	3.1
171.11687	2.9
175.11186	8.3
177.09169	2.3
184.07350	4.1
193.12267	28.1
211.13300	41.4
215.12761	3.9
223.13226	4.2
235.17038	1.5
245.18944	3.4
249.14905	1.4
251.12860	3.8
253.14362	100.0
254.14703	2.3
255.17392	2.4
263.20007	3.8
267.15918	15.0
271.15536	2.0
273.18552	22.4
275.19925	1.4
283.15417	1.5
285.16989	32.9
291.19550	33.4
309.20444	1.6
347.22299	7.6
365.23251	29.2
445.25723	3.2
463.27029	12.6
481.28143	9.4
495.29562	1.4
539.33600	2.7
557.34760	18.5
575.35846	44.7
576.36127	2.0
639.01019	1.3
639.81342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	13.1
55.05276	3.0
55.05516	38.0
57.03443	25.4
57.07065	4.5
57.11370	2.6
59.04996	3.6
61.02925	7.0
65.03937	9.1
67.05514	87.2
69.03416	8.5
69.07075	30.8
69.20677	2.7
71.04991	9.2
71.50744	6.0
77.03917	3.9
79.05498	79.6
81.03423	52.2
81.07063	97.1
83.01360	7.3
83.04985	32.7
83.08627	30.8
85.02909	17.8
85.06549	5.8
89.06086	3.9
91.05492	74.4
93.07053	84.7
95.04975	29.2
95.08616	39.4
97.02907	7.8
97.06535	19.7
97.10165	10.2
99.08051	3.2
105.06404	5.0
105.07041	57.8
107.04964	21.6
107.08595	55.7
109.06497	20.4
109.10172	28.9
111.04455	6.4
111.08088	11.4
117.07034	25.9
119.08600	33.3
121.06532	8.2
121.10167	18.7
123.08074	13.5
123.11720	4.7
125.09643	7.3
129.07010	11.6
130.07826	3.9
131.08583	25.6
133.06531	4.5
133.10135	42.5
135.08035	14.0
135.11708	25.8
137.09581	7.1
143.08588	6.3
145.10149	36.7
147.08063	7.1
147.11723	14.9
149.09616	13.0
149.13271	9.3
151.11224	12.2
153.12805	5.1
155.08575	3.4
157.10097	10.0
159.11679	10.7
161.09692	5.0
163.11188	30.9
171.11684	4.0
173.09679	4.0
173.13275	4.7
175.11156	7.5
177.12740	3.3
181.12231	5.2
184.07397	9.2
189.11354	4.1
193.12236	21.9
195.13843	6.3
197.13281	5.0
201.12874	4.0
209.11751	7.7
211.13321	22.6
223.53561	2.9
227.12791	7.6
239.18163	2.9
253.14355	15.3
255.15939	8.6
257.19104	4.5
267.16037	17.2
269.17502	32.4
273.18503	11.8
275.20084	15.4
283.15427	79.4
285.16943	18.4
291.19553	20.7
347.22095	4.4
349.23788	16.1
365.23322	13.2
459.27280	3.5
463.26993	26.4
477.28540	100.0
478.28708	6.7
481.27832	6.2
557.34967	27.5
575.35748	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	771.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.8
55.05509	16.3
57.03445	6.2
57.07065	2.8
61.02654	1.2
61.02928	15.8
67.05509	30.2
69.03437	8.3
69.07073	11.4
69.31236	1.2
70.06730	4.1
71.01363	2.1
71.04988	3.0
71.08616	1.6
73.02922	8.7
79.05087	1.1
79.05502	20.9
81.03426	8.7
81.06602	1.7
81.07060	26.0
83.04982	2.3
83.08616	6.6
85.02908	14.6
85.06516	1.1
87.04528	0.9
87.44289	0.9
89.57259	0.8
91.03974	6.1
91.05477	20.0
93.06498	1.7
93.07050	26.4
95.04959	5.2
95.08615	22.9
97.02908	11.8
97.06525	2.7
97.10173	3.6
97.73621	1.0
99.04458	2.0
100.43848	1.0
101.02365	2.3
105.04527	1.6
105.07038	20.1
107.04958	1.7
107.08588	13.8
109.02875	1.5
109.06499	2.6
109.10161	9.5
111.04432	1.5
111.08079	2.5
115.05453	1.3
116.06199	1.0
117.07022	9.6
118.17764	1.1
119.08588	17.2
121.06515	1.8
121.10150	10.0
123.08073	1.8
123.11742	2.4
125.09577	2.6
127.03917	3.5
128.06189	3.2
129.05499	1.1
129.07019	10.7
131.08588	16.9
133.10143	11.2
135.08070	1.6
135.11678	6.5
139.11150	0.9
141.06996	5.0
142.07820	2.5
143.08562	12.4
145.06479	1.2
145.10141	17.2
147.11684	8.3
149.02370	1.1
149.09619	1.5
149.13255	3.0
151.11168	1.1
153.01796	3.2
153.07054	1.3
154.07828	1.5
155.08575	9.2
156.09312	2.0
157.10136	13.0
159.11713	10.2
161.13271	4.4
163.11168	1.8
163.14796	1.0
165.06978	1.5
167.08603	4.5
168.09331	1.6
169.10141	13.6
170.10957	1.2
171.11693	10.9
173.13283	6.0
175.14787	2.4
177.12776	1.1
178.07629	1.0
179.08559	2.1
181.10129	7.5
182.10890	1.1
183.11710	12.5
184.07382	1.7
185.13283	7.8
187.14844	4.6
189.16393	1.6
193.10138	3.3
193.12215	1.6
194.10846	1.8
195.11673	7.8
196.12447	1.1
197.13252	10.6
199.14816	5.1
201.16360	1.4
207.11684	3.0
209.13300	8.1
211.13152	1.2
211.14851	6.9
213.16434	2.9
221.13213	3.4
223.14799	4.9
225.16454	4.9
227.17924	2.6
233.13153	1.1
235.14778	2.6
237.16455	4.6
239.17978	1.9
251.17932	2.3
253.19528	1.6
257.19019	1.3
261.21967	1.6
265.19455	2.2
267.15768	2.2
267.20901	1.2
275.20331	1.0
277.19476	1.3
331.22903	1.2
335.26120	4.4
351.27020	1.7
357.24112	1.0
365.28329	1.4
379.29837	1.3
453.33359	1.6
503.35748	1.0
513.34833	1.1
517.40466	5.8
525.35840	1.3
527.37518	5.8
535.41144	3.0
539.37097	1.6
545.38318	5.5
591.44238	6.2
607.43103	3.2
609.45172	100.0
610.45441	5.9
621.44672	1.6
633.44910	1.9
651.45636	1.2
717.46686	2.1
735.47845	1.9
753.49463	2.1
771.50415	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.1
57.03450	1.6
57.07082	1.2
59.24413	0.7
61.02928	6.0
63.48516	0.7
65.40673	0.6
67.05509	7.2
69.02479	0.7
69.03426	2.8
69.07075	2.2
71.05006	0.7
73.02915	3.9
79.05514	3.8
80.05865	0.6
81.03426	1.6
81.07056	6.7
85.02908	6.1
86.09716	2.0
91.03968	3.8
91.05507	2.1
93.07037	3.1
95.08630	4.7
97.02909	4.6
99.04475	1.0
101.02406	2.4
102.33759	0.7
105.07051	1.4
107.08617	1.3
109.10184	1.9
115.97324	0.6
121.10097	1.6
123.11761	1.0
123.19771	0.7
125.00027	1.3
127.03931	0.8
131.08595	0.7
135.11684	0.8
147.11688	1.1
172.04572	0.7
184.07341	7.2
229.25781	0.7
243.08516	1.6
250.16257	0.8
347.25919	1.4
369.55811	0.7
493.27872	4.1
519.29443	9.4
522.80646	0.9
528.04736	0.7
617.06549	0.8
659.51898	1.5
771.50220	100.0
772.50439	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	771.504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.3
55.05517	10.0
57.03443	4.7
57.07081	1.6
61.02932	14.1
67.05511	19.5
69.03432	6.9
69.07075	9.0
69.24844	3.9
69.25259	2.2
71.01369	1.4
71.04988	1.1
71.08628	0.7
72.52520	0.6
73.02926	7.5
79.05502	13.8
81.03413	3.8
81.07062	19.6
83.04969	1.8
83.08636	4.9
85.02915	11.7
85.06528	0.8
91.03967	7.4
91.05486	12.9
93.07052	13.1
95.04983	1.7
95.08614	16.5
97.02901	10.6
97.06527	2.0
97.10170	2.0
99.04459	1.4
101.02397	2.2
103.05420	0.7
105.07040	11.7
107.08601	10.4
109.02908	1.4
109.06535	0.9
109.10172	7.6
115.03956	0.8
115.05477	1.1
117.07007	6.1
119.08589	12.0
121.06531	0.6
121.10157	6.5
123.08068	1.2
123.11713	1.7
125.09613	1.0
127.03925	2.2
128.06239	2.1
129.07008	7.8
130.07721	0.9
131.08594	9.9
133.10149	7.7
135.11685	4.4
137.13272	0.8
141.06982	4.5
142.07808	1.8
143.08580	9.4
145.10146	11.3
147.11723	4.5
149.09648	1.0
149.13321	2.1
153.07039	1.4
154.07764	1.5
155.08559	8.6
157.10143	11.1
159.11714	7.1
161.13300	2.6
163.14851	0.8
165.07088	1.5
167.08562	4.4
168.09311	1.2
169.10146	11.1
170.10902	0.7
171.11699	9.5
173.13263	5.6
175.14839	1.5
179.08612	1.6
180.09412	0.9
181.10114	5.7
182.11052	0.7
183.11702	10.4
185.13239	6.1
187.14819	3.5
189.16487	0.8
193.10187	2.1
195.11743	7.4
197.13266	7.2
199.14870	4.9
201.16418	1.1
207.11749	3.0
208.12500	1.2
209.13298	5.7
211.14738	5.1
213.16461	2.7
219.11745	1.1
221.13319	3.1
223.14844	4.1
225.16344	3.5
227.18010	2.6
229.19551	0.9
235.14873	2.0
237.16316	3.4
239.17987	1.8
239.89578	0.7
247.14781	0.9
249.16397	1.3
251.18074	1.8
253.19603	1.6
257.19064	0.7
265.19382	1.7
275.20212	1.1
279.21133	0.9
281.22534	0.8
295.20581	0.7
309.22018	1.3
311.23624	1.1
315.17972	0.9
321.22037	0.9
323.23782	1.2
335.25961	1.3
349.25415	0.7
351.23074	0.7
363.26767	1.0
365.28381	1.0
367.26276	0.8
369.28168	0.7
409.31204	1.0
415.29764	0.8
447.32309	1.2
449.34512	1.2
465.34341	0.7
501.35309	1.1
515.37506	1.0
517.40405	6.9
535.41626	3.3
539.37408	2.3
541.38879	1.2
545.38477	1.0
591.44153	6.5
607.43402	2.3
609.45160	100.0
610.45544	5.7
611.46234	1.2
621.45642	1.5
633.45599	1.3
651.45850	0.8
735.49115	1.3
753.49176	1.5
771.50671	21.4
772.51440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.4
57.03428	5.2
57.07075	3.6
67.05505	32.2
69.07072	11.8
70.61229	5.4
70.61542	7.5
73.84962	3.9
79.05508	23.2
81.03435	28.9
81.07068	34.3
83.04974	7.2
83.08621	17.6
85.02914	10.3
86.09718	8.7
91.05494	25.4
93.07056	26.5
95.04964	13.2
95.08623	25.0
105.07039	16.0
107.08623	12.6
109.06564	5.4
109.10160	10.5
111.08035	4.6
117.07061	4.8
119.08600	15.7
121.10165	15.3
123.08059	4.5
123.11790	5.3
129.07050	6.8
131.08597	12.4
133.10153	12.0
135.11722	5.0
143.08536	5.4
145.10146	8.2
147.11688	10.2
157.10155	11.9
159.11670	7.2
163.14766	4.3
167.10617	6.8
173.13187	5.5
175.11267	6.3
175.14952	4.6
184.07401	15.5
193.12239	33.0
211.13275	50.6
233.15385	5.6
243.21227	5.1
246.74658	4.0
259.17258	4.0
261.22141	13.1
267.15952	13.1
285.16980	55.7
295.14966	4.9
335.25827	100.0
527.37201	17.3
545.38458	63.1
765.09052	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	769.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
68.99770	0.2
69.03428	0.7
69.14145	0.4
69.14553	1.4
79.01858	7.5
81.03421	1.0
81.85129	0.2
83.01371	0.2
87.00823	0.3
91.05410	0.2
97.02895	1.9
98.20679	0.3
99.04475	0.2
102.83299	0.1
103.05458	0.3
107.01328	1.7
109.02884	1.5
123.00798	0.3
125.02356	3.2
127.03927	4.8
131.04964	0.4
132.35559	0.2
143.03409	6.6
145.04985	1.2
147.04453	0.3
153.01843	100.0
153.02911	6.7
154.02142	0.9
159.04364	0.8
163.03938	0.5
173.02376	0.2
175.04016	0.4
177.05511	0.3
179.03470	0.5
185.02332	0.2
187.03876	0.9
189.05431	0.3
191.03363	0.3
201.01892	0.7
203.03430	0.7
205.04962	1.2
207.02924	0.4
213.01939	0.5
215.03362	0.8
219.03011	0.2
221.04353	0.2
229.01309	0.6
231.02867	2.8
233.04433	1.6
237.03838	0.2
241.01366	0.5
247.02438	0.9
257.00821	1.0
259.02414	5.0
261.03995	1.5
275.01855	2.2
276.02667	0.4
277.03455	15.6
278.03857	0.4
279.05054	0.6
285.00391	0.5
297.06079	0.4
303.01367	11.2
304.01797	0.2
315.05084	0.2
352.48737	0.2
356.68506	0.1
385.05615	0.3
429.04315	0.3
447.05701	0.6
599.06177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.6
55.05516	24.5
57.03450	13.8
60.34982	2.3
61.02922	2.4
65.03946	5.5
67.05510	76.3
69.03431	2.7
69.07076	27.1
69.29128	14.6
69.29536	5.3
71.04987	8.6
79.05499	86.7
81.03417	15.1
81.07061	84.4
83.04997	17.5
83.08614	14.0
84.12175	2.3
85.02874	3.4
85.06532	5.4
91.03963	2.4
91.05488	75.0
92.92128	2.1
93.07050	85.4
95.04969	22.5
95.08064	3.8
95.08612	39.6
97.02910	2.6
97.06538	17.8
97.10159	7.1
99.08086	2.5
105.04521	3.7
105.07037	52.3
106.60695	2.2
107.04966	14.6
107.08598	39.7
109.06514	9.1
109.10167	17.4
111.04504	2.7
111.08085	4.3
115.05458	2.9
117.07020	17.3
119.08599	35.7
121.06512	6.0
121.10153	12.6
123.08086	7.8
125.09566	5.3
128.06247	3.7
129.07022	19.4
131.08565	17.2
133.10149	28.5
135.08049	5.3
135.11688	12.5
137.09615	3.8
141.06976	4.0
142.07738	2.5
143.08588	12.5
145.10144	19.9
147.08086	3.9
147.11702	34.2
149.09673	11.5
149.13235	5.4
153.01836	9.4
157.10077	3.5
159.11710	11.0
161.09581	3.3
161.13251	12.2
162.82626	2.1
163.11191	9.0
171.11699	25.3
173.04471	3.6
173.13297	3.3
177.12801	3.6
179.14325	2.6
183.11769	4.6
184.07387	3.6
189.12779	13.2
195.13835	4.4
207.13799	29.0
227.12737	10.7
229.19394	2.8
239.17929	3.8
255.15868	5.3
257.18961	8.5
269.17517	12.5
275.20059	33.7
281.17487	74.1
291.19763	2.5
349.23685	21.0
435.27112	3.4
461.28928	26.6
475.30576	100.0
476.30688	6.8
515.33710	4.0
527.37067	2.5
555.36908	44.5
556.36896	3.6
573.37329	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	768.489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
55.05504	6.8
57.03425	2.9
57.07071	3.5
64.74058	1.7
67.05504	20.0
69.07053	5.9
71.50454	2.5
79.05497	18.9
81.03407	5.3
81.07053	19.4
83.04966	3.3
83.08616	6.5
85.21877	1.7
85.72447	1.5
86.09713	2.1
91.05460	8.1
93.07050	25.3
94.24989	1.7
95.04969	3.9
95.08619	27.3
97.02865	3.3
97.06527	2.3
97.10191	2.3
99.04461	2.3
105.07052	8.8
107.04948	3.6
107.08593	15.8
109.10153	8.2
117.07008	5.3
119.08554	7.3
121.10132	8.5
125.05972	2.0
129.06932	2.1
131.08594	3.0
133.10129	3.6
135.08058	2.2
135.11685	23.9
145.10107	12.8
147.11801	2.6
153.01814	4.4
163.11168	30.0
181.12198	5.8
184.07315	10.8
227.12784	69.3
261.22101	5.9
283.15411	100.0
284.15720	2.0
313.27225	2.6
317.24805	3.8
335.25793	85.8
336.26184	3.9
473.01874	2.1
543.36859	61.8
561.37421	2.6
768.47559	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	768.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	28.5
57.03446	14.1
57.07070	7.7
61.02929	2.7
61.04859	1.8
63.19597	2.1
63.71191	1.8
65.03909	2.1
67.05514	58.2
69.06734	3.4
69.07073	38.4
71.08638	5.3
71.49858	3.7
79.05499	35.9
81.07062	67.6
83.04977	2.3
83.08625	23.2
85.02885	2.6
86.09692	3.2
86.84177	2.1
91.05486	15.2
93.07051	43.6
95.04961	3.4
95.08611	55.7
97.06521	3.9
97.10186	13.2
105.04546	2.2
105.07056	11.1
107.08605	26.7
109.10165	22.5
111.08043	2.1
111.11716	2.8
117.07018	3.9
119.08582	9.7
121.10158	23.9
123.11682	8.9
124.99993	2.4
125.09673	2.2
131.08549	5.4
133.10191	10.4
133.11057	2.4
135.11707	17.8
137.13240	4.2
142.28052	2.4
144.96130	2.0
145.10121	7.0
147.11691	4.2
149.13254	10.9
159.11667	5.6
161.13258	3.8
163.14822	3.3
173.13258	3.1
175.14864	2.6
177.16376	2.6
184.07349	14.1
187.14917	2.8
195.00316	7.2
208.78215	1.9
237.22220	4.6
243.21078	9.0
252.02800	2.2
261.22162	27.7
309.24097	6.6
311.25833	100.0
317.24811	5.0
335.25836	89.4
337.27399	11.2
497.43353	3.2
571.47247	44.0
589.48383	11.4
693.96997	2.6
768.47870	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	768.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.3
55.05505	4.8
57.03436	2.9
59.04570	1.3
67.05508	18.7
69.07065	4.6
71.50909	2.3
75.10285	1.3
77.01173	1.3
78.91820	1.3
79.05502	14.7
81.03434	2.4
81.07060	19.4
82.01328	1.2
83.04965	1.4
83.08633	3.6
86.09746	1.3
91.05485	5.9
93.07054	22.1
95.04951	2.6
95.08611	22.7
96.08896	1.4
97.06509	1.7
99.04472	2.0
100.68510	1.1
105.07024	6.9
107.04974	2.7
107.08610	12.4
109.10152	5.4
109.53571	1.2
112.36115	1.3
117.07009	5.4
119.08590	5.9
121.06506	1.8
121.10141	7.4
123.40941	1.3
128.17468	1.3
131.08546	2.9
133.10143	4.9
135.11697	20.4
143.08534	1.4
145.10136	10.5
147.11707	2.3
149.13298	2.1
153.01849	3.1
159.11742	2.2
161.13254	1.5
163.11192	23.5
181.12236	4.2
182.69521	1.6
184.07326	4.6
209.11670	2.0
227.12801	51.1
261.22244	7.4
275.58121	1.6
283.15417	57.4
313.27182	1.5
317.24951	3.2
335.25824	100.0
336.25983	3.0
543.36871	71.5
544.37042	2.9
609.45581	2.7
768.47552	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	767.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
69.03432	5.7
69.14484	3.1
69.14890	1.6
71.01368	3.2
71.04981	1.0
73.02924	1.5
81.03088	0.4
81.03434	5.2
85.02905	6.7
89.03956	0.5
97.02893	2.0
99.04440	1.3
101.02385	1.8
103.05445	0.8
109.02895	9.0
119.04986	0.5
127.03916	1.2
129.03363	0.4
147.04430	1.2
153.01840	2.9
157.02859	0.7
163.03952	1.1
166.53490	0.5
173.02356	1.5
175.03902	1.6
176.24739	0.5
185.02354	1.3
187.03967	2.4
191.03424	1.2
198.72745	0.5
201.01860	4.4
203.03426	3.3
213.01839	1.7
215.03424	2.3
217.01363	0.8
219.02917	0.7
229.01373	6.3
231.02888	13.7
241.01321	2.9
247.02383	6.0
257.00824	11.6
259.02414	21.4
275.01859	11.0
276.02634	2.1
277.03452	58.2
278.03781	0.7
285.00330	7.7
303.01370	100.0
304.01657	2.7
321.02362	1.1
446.45840	0.5
465.06445	0.9
613.47363	0.5
739.74292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.0
55.05505	7.4
57.03435	5.1
57.07082	4.4
61.14107	2.2
64.99786	2.0
67.05492	20.5
69.07063	6.6
71.50420	3.1
75.82455	2.1
78.41805	2.2
79.05492	16.8
81.03416	6.0
81.07056	21.9
83.04980	2.2
83.08601	3.3
86.09708	4.8
91.05495	11.9
93.07061	25.3
95.04962	5.2
95.08618	26.9
97.02892	3.1
105.07038	7.4
107.04961	4.0
107.08590	17.1
109.10163	7.3
117.07050	5.5
119.08581	6.5
121.10134	11.6
123.11674	2.8
125.00018	3.1
131.08548	4.7
133.10104	3.9
135.11700	31.3
138.27586	2.6
145.10146	10.9
153.01837	7.4
163.11221	30.3
165.42390	2.2
181.12231	9.9
184.07367	11.6
191.48117	2.5
193.12343	2.6
227.12799	65.2
261.22134	7.0
283.15393	100.0
335.25845	93.4
336.26285	3.7
404.96301	2.6
477.97665	2.4
543.36810	63.3
609.45422	4.9
626.50629	2.7
660.99414	3.3
768.45990	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	766.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
55.05515	28.2
57.03445	14.7
57.07084	7.5
58.06601	1.9
60.08146	2.0
61.02923	4.6
65.03934	5.0
65.20462	1.1
67.05509	89.3
69.03431	1.5
69.07069	32.1
69.83270	1.8
69.83684	4.5
71.04983	3.3
71.08628	2.2
72.80178	1.1
73.02911	2.3
79.05499	47.8
80.05849	1.3
81.03440	1.6
81.07061	100.0
83.04970	3.3
83.08629	16.1
85.02900	3.5
85.06526	3.5
86.09722	6.1
91.03983	1.6
91.05486	31.9
93.07050	49.7
95.04958	4.3
95.08614	71.7
97.02881	2.4
97.06521	6.2
97.10175	7.0
98.20828	1.2
99.08094	5.0
105.06409	0.9
105.07037	23.2
107.08599	30.3
109.06541	1.6
109.09478	2.1
109.10168	27.2
111.08095	2.8
111.11707	1.5
113.09631	2.8
115.67815	1.3
117.07057	6.6
119.08590	22.0
121.09338	2.1
121.10155	27.3
123.08105	2.8
123.11719	11.4
125.00024	3.7
125.09613	1.9
129.07004	1.9
131.08600	11.2
133.10123	17.0
135.08017	1.3
135.11702	19.9
135.56085	1.2
137.09637	2.5
137.13251	5.0
143.08528	1.8
145.10132	9.2
147.11691	16.5
149.09648	1.7
149.13281	13.2
151.11073	1.4
151.14827	3.3
152.07829	1.1
153.12714	1.5
158.10890	1.4
159.11696	6.3
161.13274	10.2
163.11188	1.7
163.14824	4.3
166.40050	1.1
171.11707	1.4
172.51308	1.2
173.13263	6.7
175.13451	1.2
175.14822	5.4
177.16402	1.4
184.07361	18.6
185.13234	1.8
187.14835	4.0
189.16431	1.6
190.22743	1.1
195.00400	1.5
201.16411	1.5
205.19574	1.8
215.17963	4.6
217.19557	7.9
233.19032	4.8
233.22626	1.3
235.20576	5.8
241.19591	2.1
243.21056	4.5
251.47086	1.2
259.20575	4.2
261.22144	18.3
263.23627	1.3
284.96286	1.4
295.51117	1.3
307.22452	2.0
309.24249	68.4
311.25745	5.4
317.24783	3.7
333.24200	3.7
335.25815	95.4
336.26086	2.1
337.27335	4.8
467.36908	1.6
477.40991	1.5
495.42007	4.0
569.45709	25.6
570.46198	1.8
587.46808	17.7
637.46277	2.5
654.48059	1.7
756.64008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.1
55.05517	11.0
57.03438	16.2
57.07082	31.7
60.08167	6.1
60.98357	1.3
67.05511	20.6
69.03426	5.8
69.07072	10.0
71.04994	2.9
71.07367	2.0
71.08640	29.7
71.10731	3.4
73.02921	4.6
79.05502	11.5
81.03424	90.5
81.07059	22.1
83.04979	3.9
83.08630	24.9
83.09664	1.4
85.02931	5.4
85.10191	16.4
86.09718	20.1
89.06010	1.8
91.05476	17.1
93.07060	9.1
95.04977	28.9
95.08612	24.8
97.02910	2.9
97.10191	7.2
98.98521	2.4
99.04445	3.3
104.10719	2.4
105.07040	10.3
107.04961	5.6
107.08598	4.2
109.02875	9.4
109.06516	3.3
109.10162	8.8
111.04427	5.0
111.08077	7.1
117.07053	3.5
119.08576	10.8
121.06513	3.6
121.10130	3.2
123.04451	4.6
123.08075	1.8
123.11758	4.7
125.00011	14.4
125.09612	1.9
127.03941	2.7
129.07034	8.0
131.08568	7.8
132.99614	1.5
133.06494	4.2
133.10132	3.7
142.07829	2.8
145.10129	3.1
147.08078	3.4
147.11681	8.5
149.09641	3.4
157.10153	9.4
165.12767	2.2
175.11188	9.3
184.07347	59.6
189.12885	1.7
191.00111	4.0
193.12257	35.7
193.13925	2.9
207.13847	1.5
209.01082	1.6
211.13429	1.8
235.13335	9.7
239.23640	9.7
249.14969	3.8
251.04030	1.4
257.24701	3.1
259.13330	2.3
267.15936	97.2
268.16263	1.7
277.14450	5.5
301.14386	3.3
309.16953	4.7
313.27393	100.0
314.27936	3.0
331.28470	2.3
344.11139	1.4
408.48926	1.6
465.25214	2.0
493.17191	18.4
505.38907	84.8
506.39273	4.2
539.28766	12.3
547.39795	6.6
592.48816	1.5
633.16412	2.2
716.47986	3.0
766.47375	2.3
769.66766	1.9
789.06293	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
55.05513	0.5
56.05035	0.7
57.03437	0.5
57.07080	1.5
58.06621	0.5
60.08166	5.9
67.05498	1.0
69.03408	0.2
69.07058	0.4
71.07376	2.9
71.08643	1.2
71.42206	0.2
79.05499	0.5
81.02986	0.3
81.03419	3.2
81.07061	1.3
83.08627	1.2
85.02866	0.2
85.10178	0.7
86.09708	28.5
87.10059	0.3
91.05472	0.7
93.07056	0.5
95.04971	1.0
95.08611	0.8
98.98469	2.8
104.10760	2.1
105.07037	0.4
109.10136	0.5
111.08063	0.3
119.08584	0.5
121.10146	0.3
123.11669	0.2
125.00011	19.2
129.06993	0.2
131.08549	0.2
143.07614	0.2
146.99162	0.2
147.11646	0.2
157.10091	0.4
159.75323	0.2
173.43065	0.2
175.11192	0.4
184.07346	100.0
185.07680	0.8
193.12204	1.4
209.01117	0.2
235.13181	0.3
239.23732	0.3
242.18382	0.2
267.15921	3.4
309.16891	0.4
313.27359	3.9
314.27777	0.2
331.28381	0.2
335.25839	0.2
493.17224	0.6
505.38931	2.4
556.60736	0.2
584.13782	0.2
716.48682	6.7
717.48132	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.9
55.92588	0.4
56.68142	0.4
57.03435	1.6
60.08173	0.8
61.02930	5.7
61.03231	0.8
67.05510	5.5
69.03433	3.9
69.07074	1.7
71.01346	0.8
71.05000	1.3
71.07376	0.6
71.51061	0.5
73.02927	3.9
79.05498	5.0
80.53008	0.4
81.03421	3.2
81.07060	5.4
83.04986	1.0
83.08642	0.8
86.09720	3.6
91.03960	3.2
91.05485	3.0
93.07059	4.1
95.04974	0.8
95.08615	3.7
97.02893	5.0
99.04483	1.0
101.02376	2.2
103.03969	0.5
105.07062	1.5
107.08591	2.1
109.10178	1.6
119.08607	1.6
121.10152	3.1
123.11755	0.6
124.99993	2.9
127.03953	1.5
129.07040	0.7
131.08557	1.1
133.10175	1.2
135.11742	0.7
139.11212	0.9
145.05055	0.4
147.11710	1.3
149.09673	0.6
157.10168	1.1
159.64819	0.5
167.10706	0.7
171.16599	0.4
175.11246	0.7
184.07358	12.4
184.09007	0.7
185.04294	1.1
185.07771	1.7
193.12288	0.8
201.03816	0.4
203.05371	0.6
239.20001	0.5
243.08450	2.3
251.12650	0.6
269.13678	2.0
276.85101	0.5
301.09192	0.6
335.25916	1.1
425.18198	0.6
443.18866	3.2
459.09631	0.5
469.20721	1.6
487.21378	3.9
519.29279	8.8
675.44153	0.7
721.41315	1.4
747.43042	2.4
765.43976	100.0
766.44250	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	765.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.8
56.16173	0.6
57.03444	1.6
61.02931	6.5
67.05510	6.1
69.03433	4.2
69.07074	1.6
71.51112	0.9
73.02924	4.1
79.05499	3.2
81.03436	3.0
81.07058	4.8
83.08636	0.6
86.09712	4.0
91.03971	4.0
91.05482	3.3
93.07044	4.2
95.08608	4.0
97.02879	4.6
97.06559	0.8
97.10186	0.6
99.04462	0.9
101.02387	1.4
105.07058	2.4
107.08614	2.3
109.02889	0.7
109.10211	1.4
109.93769	0.6
117.07095	0.8
119.08620	2.1
121.10159	3.0
125.00013	2.6
127.03951	1.7
129.05600	0.7
131.08589	1.1
133.10124	1.1
135.11679	0.8
139.11279	0.7
145.10191	1.2
184.07352	12.6
185.07761	2.3
243.08496	1.6
269.13727	1.7
288.13058	0.6
330.47055	0.6
335.26175	0.9
443.18903	2.7
487.21759	2.1
519.29315	9.3
675.44574	0.8
721.41199	3.2
747.43341	1.5
765.43951	100.0
766.44403	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	764.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
55.05515	26.9
57.03442	18.3
57.07063	4.7
61.02913	5.7
65.03944	4.3
67.05507	100.0
69.03445	1.5
69.07069	23.7
71.04981	4.0
71.41982	2.2
73.02923	1.4
77.03944	2.3
79.05495	76.7
81.07059	93.0
83.04993	1.6
83.08628	11.2
85.02895	4.2
85.06541	3.1
86.09700	2.8
91.03949	3.0
91.05484	46.2
93.07047	80.1
95.04965	5.5
95.08608	72.4
97.02890	2.7
97.06529	4.2
97.10161	5.5
99.08106	2.0
105.04521	1.7
105.07037	34.7
107.08598	39.1
109.06529	2.9
109.10165	28.3
111.08054	2.0
117.07001	14.2
119.08581	22.5
121.10143	41.4
123.11716	9.6
125.00043	1.6
125.09628	2.4
126.28439	1.5
127.22784	1.6
129.05461	1.8
129.06973	3.5
131.08577	20.6
133.10133	25.7
135.11693	28.1
137.05894	1.5
137.09607	2.2
137.13254	3.5
143.08548	4.1
144.49098	1.4
145.10123	17.9
147.11696	18.8
149.09630	2.9
149.13239	16.3
151.11209	1.7
153.12801	1.7
157.10135	4.1
159.11731	14.5
161.13292	9.6
163.11186	2.2
163.14824	3.8
171.11707	4.7
173.13281	12.3
175.14804	4.0
177.12775	1.7
184.07314	5.1
185.13225	3.3
187.14833	3.8
189.16411	3.2
199.14890	3.0
201.16293	2.0
203.17874	1.7
205.19527	1.6
213.16357	5.2
215.17973	16.5
217.19659	2.4
231.17435	7.2
233.19043	12.7
241.19511	3.7
243.21069	4.8
259.20667	5.9
261.22070	14.5
263.23633	1.9
271.20749	1.7
305.21109	3.3
307.22684	62.9
309.24222	4.5
333.24313	4.1
335.25803	97.4
336.26294	1.8
337.27219	5.7
389.26959	1.7
412.66959	1.6
498.99008	1.9
519.59021	1.7
567.44092	19.0
585.45264	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	763.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05506	1.9
57.03431	2.0
57.84209	0.5
61.02927	4.9
67.05502	5.6
69.03436	3.2
69.07068	1.3
69.22654	1.0
69.23055	4.3
71.04996	4.0
73.02921	5.5
74.96430	0.5
79.05487	3.4
81.03417	1.6
81.07057	6.6
83.08629	0.8
85.02903	5.9
85.06586	0.5
91.03951	3.4
91.05498	3.3
93.07074	4.1
95.08598	3.6
97.02898	4.9
99.04482	0.6
101.02392	1.6
103.03947	0.7
105.07044	2.3
107.08615	1.7
109.02914	1.5
109.10166	1.3
115.03900	0.6
121.10139	1.1
122.23840	0.6
123.11720	1.0
127.03947	1.5
131.08633	0.7
133.10133	2.6
135.11699	1.0
149.13272	0.6
151.11197	1.0
159.11740	0.9
185.04195	0.7
243.08464	2.3
257.17441	0.6
267.15781	1.1
416.70236	0.6
453.21457	0.6
485.23578	10.0
519.29254	4.8
739.76025	0.6
756.93286	0.5
763.46021	100.0
764.46356	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	764.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03664	0.2
55.05510	0.2
56.05030	0.9
57.03431	0.2
57.07066	0.2
58.06334	0.3
58.06635	0.5
60.08165	5.6
67.05505	0.5
69.07082	0.3
69.50732	1.2
71.07375	2.9
79.05493	0.4
80.62618	0.2
81.03421	0.8
81.07058	0.6
83.08652	0.2
86.09708	28.5
91.05471	0.2
93.07055	0.2
95.08611	0.5
98.98470	2.7
104.10752	1.7
105.07025	0.3
125.00008	18.0
131.08562	0.2
133.10129	0.2
151.09135	0.2
184.07346	100.0
185.07698	0.7
193.12267	0.2
202.03633	0.2
267.15881	0.5
283.27280	0.2
286.59814	0.2
287.29385	0.2
339.28735	0.3
369.96744	0.2
450.22424	0.3
505.38528	0.2
507.40155	0.3
531.40704	0.2
681.02808	0.2
714.47095	6.6
715.46832	0.5
764.43842	0.3
765.41095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.05036	0.7
56.59670	0.1
57.03433	0.2
57.07077	0.4
58.06620	0.3
60.08169	5.5
67.05510	0.8
69.07077	0.5
69.55490	1.0
71.07379	3.3
71.08626	0.2
72.02976	0.1
79.05504	0.4
81.03426	0.5
81.07072	0.8
83.08630	0.3
86.09711	27.6
87.10043	0.3
91.05480	0.4
93.07063	0.3
95.08619	0.4
98.98470	3.1
98.99068	0.3
104.10757	2.1
107.08646	0.2
109.10181	0.3
112.72384	0.1
119.08566	0.3
121.10168	0.3
125.00013	19.1
131.08577	0.1
133.10104	0.2
158.35907	0.1
160.30038	0.2
184.07353	100.0
185.07692	0.6
224.58430	0.2
227.20125	0.3
267.15878	0.7
268.82205	0.1
313.27335	0.3
339.28973	0.4
347.28906	0.2
505.38889	0.6
507.40353	0.3
531.40186	0.4
546.28320	0.2
587.46521	0.3
714.47076	6.1
715.46832	0.2
764.44513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01862	0.7
55.05486	2.3
56.05004	0.8
56.14682	0.6
57.03405	2.5
57.07050	0.8
58.06605	0.9
60.08168	5.7
61.02933	5.5
61.08471	0.9
67.05507	7.3
69.03434	3.2
69.07046	2.1
70.02868	2.7
71.04980	0.7
71.07377	3.7
72.07689	0.7
73.02936	3.8
79.05492	5.2
81.03432	3.8
81.07056	6.1
83.04996	1.1
83.08606	1.1
85.02911	4.8
86.09711	32.7
87.04459	0.9
87.09567	0.7
87.10027	4.9
91.03951	3.9
91.05483	2.2
93.07031	5.4
95.04960	1.1
95.08597	3.7
97.02899	5.1
98.21494	0.9
98.98467	3.8
99.04465	1.1
101.02364	2.8
104.10740	2.0
105.06999	2.1
107.08577	2.8
109.02838	0.9
109.06478	0.7
109.10152	1.4
117.07079	0.7
119.08575	1.2
120.08849	0.7
121.10125	1.9
124.99112	1.1
125.00014	21.9
126.00364	1.1
127.03915	1.8
131.08557	0.7
133.10074	0.8
135.11685	1.6
145.10103	1.8
147.11713	0.8
163.11194	1.9
167.84077	0.7
184.07350	100.0
185.04129	0.9
185.07707	14.3
186.25298	0.6
243.08417	1.9
247.46252	0.7
267.15979	1.2
293.08475	0.7
335.25937	0.7
337.27658	0.9
438.44464	0.7
440.57727	0.7
441.17480	3.3
467.19168	1.0
485.20111	3.9
519.29352	6.8
529.39557	0.7
580.34290	0.7
713.45990	5.9
719.40021	1.8
745.41083	5.2
763.42358	90.7
764.42761	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01880	0.7
55.05507	2.3
57.03433	2.6
57.89275	0.5
58.11008	0.5
59.01616	0.4
61.02926	6.6
67.05505	6.7
69.03438	4.9
69.07067	2.3
69.60132	2.0
69.60548	1.1
70.06593	0.7
71.04975	0.8
73.02912	3.8
79.05488	5.0
81.03416	2.4
81.07065	6.0
83.05013	0.8
83.08627	1.1
83.71628	0.5
85.02917	6.4
86.09710	2.4
87.04464	0.5
89.85890	0.5
91.03966	3.9
91.05452	2.7
93.07047	4.9
94.11224	0.5
95.04951	0.8
95.08617	5.3
95.20121	0.5
97.02894	6.1
98.20834	0.6
99.04470	1.0
100.12592	0.5
101.02387	2.8
105.07047	2.0
107.04980	0.8
107.08585	2.5
109.02904	1.1
109.10179	2.5
117.07053	0.7
119.08601	1.8
121.10176	2.0
123.11723	0.7
125.00020	1.6
125.09710	0.5
127.03914	1.9
131.08604	1.2
133.10141	1.1
133.68260	0.5
135.11717	1.5
145.10167	1.4
163.11247	1.3
184.07336	6.9
184.55305	0.6
185.04282	1.1
185.07739	1.0
200.65381	0.6
243.08443	1.8
267.12015	2.4
335.25687	0.8
338.27542	0.8
341.26056	0.5
441.17407	2.3
485.20184	3.6
519.29260	7.4
530.39093	0.6
719.40045	3.3
745.41327	1.3
763.42340	100.0
764.42615	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	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05518	1.2
57.03437	1.6
61.02934	3.6
65.32200	0.4
67.05515	3.1
69.03439	2.5
69.07074	0.8
70.92823	1.3
71.31654	0.4
73.02917	2.7
79.05504	4.2
81.03449	2.2
81.07063	3.2
83.04977	0.7
83.08637	1.0
85.02917	4.8
91.03951	2.4
91.05493	3.2
93.07047	4.0
94.14566	0.5
95.04971	0.7
95.08645	2.2
96.37785	0.5
97.02894	3.6
99.04455	0.8
101.02393	1.6
105.07030	3.1
107.08613	2.0
109.10168	0.6
110.37967	0.4
111.08025	0.4
115.03886	0.6
115.90316	0.4
117.07024	0.5
119.08586	2.4
121.10133	0.9
123.76893	0.4
124.99958	0.5
127.03972	1.2
129.06978	0.6
131.08607	0.9
131.46045	0.5
133.10158	2.1
135.11703	1.1
143.08585	0.7
147.11737	2.0
157.10167	0.9
159.06657	0.4
175.11238	0.7
175.50409	0.5
184.07410	1.9
185.04254	0.9
211.13390	0.6
243.08517	3.1
251.12666	1.3
259.20685	0.9
301.09018	0.8
315.10495	0.6
317.20779	0.7
465.20938	0.8
469.20560	4.3
480.82217	0.5
535.28796	7.1
536.28815	0.5
541.22369	1.2
763.42407	100.0
764.42468	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	763.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
58.06587	0.6
59.47399	0.5
60.08168	5.1
60.51274	0.6
61.02907	1.3
67.05478	2.5
69.03423	0.8
69.54585	4.5
70.06580	0.6
71.07363	3.8
73.02892	0.9
76.00684	0.6
79.05486	1.7
81.03407	0.9
81.07036	2.3
83.08617	1.0
85.02903	1.7
86.09708	27.6
87.10037	3.1
91.05485	1.8
93.07049	1.7
95.04961	0.7
95.08620	1.5
97.02874	1.2
98.98471	4.6
101.02367	0.8
104.10738	1.2
105.07025	1.6
107.08578	0.8
108.75165	0.8
109.10121	1.2
119.08563	0.8
125.00008	20.2
126.00340	0.9
167.84760	0.6
184.07347	100.0
185.07719	11.9
223.44377	0.7
267.15903	1.0
268.16269	0.9
337.27545	0.9
454.00177	0.6
461.37537	0.7
535.27069	1.3
698.72772	0.7
712.45428	0.8
713.45679	4.8
745.41132	1.5
763.40594	84.4
764.41022	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	763.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	6.7
61.02926	1.1
62.12671	0.7
66.80416	0.7
67.05476	2.2
69.07050	0.8
71.07365	2.8
71.50112	1.1
73.02929	0.7
79.05479	1.8
81.03407	1.6
81.07047	2.3
86.09710	27.6
87.10035	3.4
89.06015	1.0
91.03951	1.0
91.05489	1.8
93.07034	1.8
95.08593	1.5
97.06575	0.8
98.06113	0.8
98.98455	2.9
104.10724	1.9
105.11015	0.8
116.52617	0.7
119.08618	1.3
125.00016	18.2
126.00327	1.1
133.10146	1.0
152.04781	0.7
168.81497	0.7
184.07356	100.0
185.07707	11.7
191.00345	0.8
227.20064	1.6
265.04620	0.7
267.16104	1.2
346.11597	0.8
385.76672	0.7
712.46112	1.0
713.46228	4.4
720.48383	0.8
763.40607	74.8
764.40845	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	762.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.05514	0.5
56.05036	0.7
56.49821	0.2
57.03429	0.4
58.06617	0.3
60.08172	6.2
61.02926	0.3
65.60223	0.2
67.05515	1.3
69.03445	0.2
69.07072	0.5
69.38663	1.1
69.39094	0.6
70.06605	0.6
71.07382	3.8
73.02930	0.3
79.05498	0.8
81.03426	0.7
81.07062	1.5
83.04987	0.2
83.08633	0.3
85.02911	0.2
86.09716	30.7
87.10049	0.3
91.05492	0.5
93.07072	0.8
95.04996	0.3
95.08613	0.7
97.02853	0.4
98.98484	4.0
104.10759	2.0
105.07013	0.4
107.08603	0.4
109.10173	0.4
119.08566	0.4
125.00018	21.4
131.08595	0.3
133.10135	0.3
135.11722	0.2
145.10173	0.3
184.07361	100.0
185.07712	0.8
191.26334	0.2
193.84692	0.2
237.63939	0.2
267.15939	0.7
335.25903	0.3
337.27274	0.7
404.22052	0.2
432.47083	0.2
434.75995	0.2
435.95685	0.2
461.44101	0.2
529.39056	0.5
547.39679	0.3
712.45569	5.0
713.45221	0.3
762.39648	0.4
763.42303	4.1
783.49371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35550	0.1
56.05033	0.7
58.06629	0.4
59.07384	0.2
59.76515	0.2
60.08166	5.7
67.05501	0.5
69.45148	1.2
71.07376	3.6
79.05473	0.4
80.50336	0.2
81.03430	0.5
81.07054	0.4
83.08662	0.2
86.09710	27.0
86.55862	0.2
91.05499	0.2
93.07076	0.3
95.04994	0.3
95.08601	0.3
98.98473	3.0
102.37609	0.2
104.10736	2.2
105.07040	0.3
113.07143	0.2
125.00011	18.8
146.58832	0.2
180.77460	0.2
184.07349	100.0
185.07765	0.8
206.46977	0.2
213.85828	0.2
267.15918	0.3
337.27191	0.5
401.12634	0.2
437.38132	0.2
520.34235	0.2
529.38220	0.3
655.19659	0.2
712.45557	5.0
713.45007	0.3
763.40369	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	761.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01875	0.7
55.05514	1.5
55.07370	0.4
57.03431	1.5
61.02935	3.3
65.82304	0.5
67.05508	3.8
69.03442	2.6
69.07070	1.9
70.55829	1.3
71.01348	0.5
71.04994	0.4
72.20762	0.4
73.02922	2.5
77.99286	0.5
79.05501	3.8
81.03437	3.2
81.07069	4.2
83.04978	1.2
83.08634	1.7
85.02913	5.3
86.09727	1.5
91.03970	1.9
91.05483	4.2
93.07039	3.1
95.04989	2.2
95.08595	2.3
97.02898	3.5
97.06560	0.7
99.04459	0.7
101.02399	1.4
104.10788	0.7
105.07043	3.7
107.04957	0.7
107.08630	1.8
109.06546	0.7
109.10155	0.6
111.08102	0.7
117.07036	0.7
119.08573	2.4
121.10160	1.2
123.08047	0.6
125.00041	0.8
127.03896	0.9
129.07033	0.8
131.08598	1.7
133.10104	2.4
135.11739	0.8
143.08636	0.6
145.10121	1.1
147.11743	1.7
149.09660	1.1
157.10175	1.9
173.51173	0.5
175.11234	0.6
184.07336	2.9
185.04318	0.8
185.07793	0.6
193.12270	1.1
211.13339	0.6
243.08466	2.0
244.43762	0.5
275.20166	0.7
286.08273	0.6
315.19348	3.2
436.69293	0.5
462.33630	0.6
469.20514	8.3
470.21365	0.6
533.27039	4.4
761.40826	100.0
762.40833	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	761.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01873	0.5
55.05499	1.0
57.03431	2.1
60.08150	0.5
61.02926	3.9
67.05501	3.3
69.03426	2.4
69.07072	2.4
71.05000	0.6
71.51107	0.4
71.51573	0.4
73.02906	2.7
79.05485	3.8
81.03423	3.9
81.07056	4.2
83.04984	1.8
83.08621	2.0
85.02903	5.4
86.09711	1.1
87.04448	0.5
91.03968	1.9
91.05476	5.2
93.07060	3.2
95.04973	1.9
95.08605	2.4
97.02914	4.4
97.06539	0.9
97.10178	0.7
98.21550	1.0
99.04507	0.7
101.02404	1.5
105.07047	4.6
107.04993	1.2
107.08592	1.9
109.02908	0.9
109.10166	0.9
111.08068	0.6
117.07014	1.2
119.08601	3.2
121.10158	1.3
123.08109	0.8
125.00045	0.6
127.03930	0.9
129.07040	1.1
131.08568	1.6
133.10146	2.6
135.11707	0.8
145.10136	1.1
147.11707	1.9
149.09622	1.1
157.10167	1.2
161.13170	0.6
171.11749	0.7
175.11247	0.7
179.14426	0.7
184.07378	2.7
185.04353	0.6
193.12263	1.3
195.84438	0.5
229.34148	0.8
243.08377	2.7
309.61359	0.5
315.19235	3.1
342.21921	0.5
371.22186	1.1
462.10513	0.5
469.20435	9.4
495.65070	0.6
533.27112	4.7
612.06567	0.5
627.45410	0.5
761.40808	100.0
762.41357	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
54.10263	0.5
55.01860	0.8
55.05524	1.0
57.03442	1.5
59.04997	1.6
61.02935	4.1
65.03951	0.7
67.05509	2.9
69.03425	2.5
69.07059	1.4
70.81503	1.3
71.01367	0.7
71.04988	2.0
73.02921	3.6
77.55340	0.5
79.05499	2.5
81.03418	6.0
81.07067	3.1
81.07499	0.5
83.04961	0.8
83.08611	1.2
85.02912	4.0
87.04464	0.7
90.13890	0.5
91.03964	3.0
91.05485	5.6
92.03554	0.5
93.03384	0.6
93.07059	3.7
95.04959	1.9
95.08639	1.8
97.02905	4.2
97.06538	0.6
100.96827	0.5
101.02360	1.1
101.10187	0.6
103.03963	0.7
103.05482	2.6
105.07018	3.6
107.04966	1.8
107.08598	2.1
109.06513	1.1
109.10212	0.7
111.08132	1.0
112.20452	0.5
113.79796	0.5
117.07050	0.6
119.08592	2.4
121.06510	1.2
121.10136	2.0
123.04434	0.7
127.03958	1.2
127.35115	0.6
129.05473	0.6
129.07034	1.2
131.04968	2.3
131.08595	1.7
133.02850	2.4
133.06520	0.8
133.10170	1.6
137.05988	4.8
145.06590	0.6
146.07304	0.6
147.11693	2.2
149.05992	0.7
149.09634	3.0
151.03932	2.6
151.07553	1.3
157.10222	1.3
161.06013	1.7
163.07574	2.1
165.05576	0.7
167.07039	5.3
173.05922	0.6
175.07578	0.7
175.11224	1.8
175.91550	0.6
181.04948	3.5
183.82283	0.6
184.07388	0.6
191.07068	3.9
193.12291	2.1
197.15451	0.6
207.06670	1.1
225.15015	1.1
237.09050	0.6
241.08694	0.6
243.08450	2.6
267.16028	1.5
283.15247	6.3
286.06351	0.7
308.18130	0.6
329.10294	0.7
339.17804	2.1
469.20776	0.8
501.23099	27.1
502.23227	1.2
535.19598	0.7
565.20447	3.7
761.39301	100.0
762.39514	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	761.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
53.87866	1.2
55.01877	6.6
55.05507	1.5
63.02362	1.4
65.03938	5.7
67.05502	4.1
69.03439	2.4
69.07081	2.2
70.61353	1.2
70.89457	1.3
71.49459	1.3
71.49895	2.3
77.03910	2.3
78.04720	3.2
79.05490	4.8
80.82410	1.4
81.03411	5.3
81.07050	3.7
82.04223	1.1
84.23199	1.1
85.02904	3.3
89.03901	4.3
89.84480	1.4
91.05489	16.1
93.03447	1.7
93.07037	4.2
94.04179	2.8
95.04962	4.9
103.05480	22.3
105.03359	2.4
105.04561	1.2
105.07037	7.6
106.04194	3.1
107.04964	10.8
107.08611	1.7
109.06520	1.3
110.03635	2.0
111.04490	2.3
115.05464	5.7
117.03414	2.2
117.07014	6.5
118.04214	2.9
119.04940	5.6
119.08581	2.2
121.06500	5.6
122.03654	5.4
123.04433	8.0
124.05207	3.4
125.05997	4.2
129.07019	2.4
131.04947	21.7
131.08548	1.4
132.05635	1.5
133.01854	1.7
133.02870	31.4
133.06496	6.7
133.10136	1.4
134.03648	2.0
135.04414	4.3
135.08014	2.3
136.05212	2.0
137.05997	41.1
139.07594	1.2
141.06950	2.0
143.04942	3.8
145.06511	7.5
146.03604	2.4
147.04414	4.9
147.08055	3.0
147.11758	1.5
148.05203	7.6
149.06007	11.7
151.03934	36.3
151.05054	3.7
151.07547	12.8
151.11105	1.5
152.04694	2.1
152.62585	1.2
153.05475	5.6
155.06052	1.9
157.06493	1.8
159.04428	1.8
159.08078	2.1
160.05246	2.5
161.05997	12.6
163.03934	2.8
163.07558	18.3
165.05557	7.3
165.06856	2.0
167.07059	100.0
172.05240	1.6
173.06018	7.5
174.06760	2.5
175.07538	7.7
176.04709	1.7
176.08269	1.4
177.05490	4.1
177.09071	1.9
179.07051	2.2
179.08582	1.4
181.04982	40.1
181.06569	2.9
181.08514	3.3
183.08054	1.8
185.09915	1.5
187.07492	3.1
189.05495	8.2
189.09106	1.9
191.07048	46.3
192.07637	1.6
193.08572	4.7
195.06509	3.0
195.08104	3.4
198.06827	1.5
199.07602	1.5
201.05421	2.1
203.07043	4.3
205.06711	1.4
205.08598	5.5
207.06522	15.8
209.07945	2.4
211.07608	1.9
211.09674	1.9
213.09088	1.6
217.08545	3.3
218.07236	1.6
219.08186	1.8
219.10080	1.9
221.08032	1.5
223.07565	3.6
224.08199	1.5
225.09328	1.3
226.06226	1.5
227.06848	1.9
233.05980	1.4
233.08113	4.7
234.06769	2.0
235.09686	3.8
236.08049	1.5
239.07138	1.5
240.07941	2.0
241.08388	2.8
249.09392	1.4
250.06017	1.7
251.07027	1.4
253.08566	1.8
255.10165	4.8
256.10831	1.9
259.09637	1.9
263.06732	1.6
263.09213	3.5
265.05280	2.2
265.08633	5.5
269.08084	1.8
277.08566	4.6
283.06393	3.1
283.09799	1.4
284.01978	1.3
287.05545	1.8
287.12820	1.5
293.08002	3.6
295.09698	2.5
297.11295	4.2
303.01642	1.4
307.09644	2.7
309.11166	2.2
313.10736	2.1
315.12259	3.6
321.11136	1.9
325.10666	3.6
329.10223	11.5
337.10880	1.3
339.12149	1.7
343.11981	2.9
353.14087	1.7
355.11844	2.3
357.13489	1.6
367.11618	1.5
369.13391	2.1
381.13452	2.1
383.11026	1.8
383.15216	1.6
385.12933	5.8
387.14453	2.8
417.15259	3.5
419.78574	1.2
505.18011	2.2
515.16766	1.4
533.18103	3.1
535.19476	5.0
565.20758	48.7
566.21051	1.9
761.38361	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	760.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01879	2.5
55.05301	2.0
55.05514	17.3
55.83727	1.7
57.03439	19.4
60.08151	5.1
65.03940	2.7
67.05511	56.7
69.03429	2.4
69.07072	16.7
69.40053	5.0
69.40462	9.4
71.04998	4.8
71.07378	2.1
79.05496	41.8
81.03424	56.3
81.06599	3.7
81.07059	56.4
83.04984	6.5
83.08636	19.4
85.02908	3.0
85.06567	1.9
86.06362	1.9
86.09703	28.3
88.07197	1.7
91.05489	34.2
93.07053	42.7
95.04981	22.6
95.08610	35.5
97.02916	2.4
97.06506	5.8
97.10153	5.7
98.98485	4.2
105.07034	22.2
107.04942	7.4
107.08582	24.9
107.29427	1.7
109.06520	5.5
109.10154	16.7
111.08087	7.6
115.05486	1.8
117.06997	7.7
118.79868	1.6
119.08584	21.7
121.10155	21.2
123.08042	3.5
123.11697	4.8
125.00007	20.6
125.09605	3.4
129.07018	8.6
131.08582	18.9
133.06464	3.7
133.10114	11.5
135.08031	2.7
135.11688	12.4
137.09618	2.8
137.13354	1.7
145.10156	9.4
147.08040	2.8
147.11697	12.6
149.09607	6.6
149.13254	7.6
157.10149	7.4
159.11693	6.9
161.13289	6.5
163.11287	2.3
163.14832	2.5
169.10135	3.3
171.11673	2.4
173.13234	6.6
175.11172	7.8
175.14838	2.3
184.07350	100.0
185.13264	2.5
187.14769	2.4
189.11308	1.8
193.12239	16.1
211.13229	2.4
215.18091	2.6
227.12740	6.5
243.21071	4.2
261.22086	11.6
267.15933	74.7
285.16928	6.8
301.25128	2.9
335.25812	61.2
336.25958	3.9
380.45557	1.8
435.32407	5.7
453.33511	5.8
471.34842	4.2
527.37366	43.9
545.38367	40.1
546.38562	2.4
558.31592	2.2
563.39001	4.3
569.38458	4.1
575.74097	2.0
710.43933	4.6
711.10059	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.1
56.05025	0.6
57.03445	3.2
60.08173	5.4
61.02922	0.6
63.53370	0.5
65.03944	0.6
67.05505	9.8
67.56508	0.5
69.07078	2.9
69.41526	3.6
71.05019	0.8
71.07063	0.4
71.07382	3.4
79.05495	7.7
81.03417	12.2
81.07055	11.1
83.04964	1.3
83.08620	3.1
84.02891	0.5
85.02908	0.5
85.06564	0.8
86.09708	29.9
91.05488	5.6
93.07047	9.1
95.04990	4.8
95.08611	7.4
97.06519	0.5
97.10208	1.0
98.98471	2.8
99.08110	0.5
104.10735	2.0
105.07037	5.0
107.04964	1.3
107.08597	5.0
109.06506	0.9
109.10143	2.7
111.08051	0.5
115.97581	0.4
117.07002	0.8
119.08570	3.6
121.06541	0.5
121.10136	4.5
123.11712	1.1
125.00007	21.1
125.09587	0.7
127.03856	0.6
129.07002	1.9
131.08569	3.5
132.08961	0.5
133.10155	3.0
135.11711	2.3
137.09578	0.6
137.13213	0.5
143.08510	0.5
145.10097	2.0
147.08043	0.8
147.11736	2.2
149.09634	1.2
149.13246	1.0
157.10152	2.3
159.11688	0.7
161.13304	0.7
165.12733	0.6
165.91570	0.5
171.11711	0.4
173.13321	1.0
175.11206	1.4
175.14856	0.5
184.07347	100.0
185.07658	0.9
193.12263	3.5
227.12907	0.9
243.21236	0.5
249.14934	0.6
261.22177	3.4
267.15927	15.7
285.16998	0.9
301.25131	1.2
309.16827	0.6
317.24872	0.6
335.25809	13.0
336.26105	0.8
435.32211	1.0
453.33759	1.5
455.61224	0.5
509.35202	0.5
527.37311	8.3
545.38342	7.4
569.37421	0.6
710.43903	5.5
760.43372	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	758.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01854	1.2
55.05516	13.2
56.69814	1.0
57.03448	6.1
57.07066	3.1
59.05001	1.6
60.24646	0.9
61.02921	2.4
65.03935	3.2
67.05510	64.8
69.03437	1.3
69.07074	12.6
69.46218	7.4
71.05002	21.8
79.05500	31.9
81.03416	1.1
81.07061	94.8
83.04985	3.8
83.08625	9.1
85.02892	1.5
85.06547	7.5
85.41901	0.8
91.05487	32.8
93.07051	38.8
95.04949	1.8
95.08614	25.2
96.73333	0.9
97.02889	1.7
97.06539	4.7
97.10160	1.4
105.07036	18.1
107.08601	19.8
108.06245	0.9
109.06487	1.5
109.10165	11.0
111.08067	1.2
117.07025	3.8
119.08584	9.1
121.10158	15.5
123.08051	1.5
123.11715	13.0
123.57696	0.9
127.03903	1.0
131.08580	9.2
133.10132	17.6
135.11679	10.2
145.10117	4.3
147.11687	3.2
149.13242	6.9
151.11220	6.8
157.10101	1.1
159.11708	7.9
161.13246	3.3
163.14722	1.2
169.12253	1.1
171.11681	1.2
173.13264	1.6
175.14880	1.8
177.12798	1.8
183.13844	2.7
184.07353	2.9
187.13281	4.7
187.14845	1.9
195.13797	1.7
199.14749	1.1
199.42307	0.9
201.14766	1.5
227.16422	3.1
257.17654	1.6
261.22131	1.7
269.17532	5.4
277.59882	0.9
301.20123	23.4
301.23553	1.4
335.25836	26.2
335.29874	1.3
363.25131	1.4
393.31509	1.2
411.32574	1.4
437.34427	1.7
485.36182	3.3
503.37372	100.0
504.37488	3.6
511.38184	1.4
517.39197	5.6
529.38971	16.3
561.41534	86.8
562.41620	4.4
563.91632	1.0
733.34247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
53.37925	2.0
55.01876	8.4
55.05515	30.1
57.03452	20.8
57.07073	3.1
59.04987	2.9
61.02924	6.8
62.15442	2.0
65.03928	5.0
67.05511	91.1
69.03440	2.4
69.07078	21.5
70.75053	5.3
71.01360	4.0
71.04999	6.1
73.02918	3.8
79.05505	62.9
81.03432	20.8
81.06593	4.3
81.07066	78.2
83.01370	2.7
83.04993	20.5
83.08635	13.5
85.02919	8.5
85.06547	4.5
85.08077	2.0
85.10676	1.9
91.03967	3.6
91.04980	3.4
91.05494	44.9
92.18273	2.4
93.07056	80.4
95.04974	14.4
95.08614	56.5
97.02901	14.9
97.06519	11.4
97.10185	6.2
99.04439	4.1
105.04547	2.9
105.07045	31.5
107.04972	16.8
107.08606	46.3
109.02884	2.2
109.06531	6.9
109.10174	26.0
111.04436	13.8
111.08088	5.9
111.11720	2.5
115.05451	4.0
117.07017	18.2
118.91835	2.3
119.08592	26.1
121.06550	3.8
121.10153	31.5
123.08074	9.2
123.11723	6.6
125.06040	3.4
125.09608	3.4
129.06992	5.6
131.08560	21.6
133.10158	17.8
135.08122	4.7
135.11703	30.8
137.09645	4.6
137.13242	1.9
143.08571	5.2
145.06485	2.8
145.10139	30.4
147.08098	3.6
147.11728	11.0
149.13284	5.2
153.12762	13.6
155.08528	3.8
159.11705	8.5
161.13264	5.7
163.11218	31.9
163.14746	3.7
163.30064	2.0
173.09637	5.6
173.13298	5.2
175.14909	2.8
181.12206	7.6
184.07346	7.9
187.14883	2.9
191.10760	11.8
209.11745	40.2
227.12811	19.2
243.21114	5.6
251.42955	2.1
259.20557	3.7
261.22131	13.8
273.21930	2.5
283.15442	51.7
297.33942	2.0
299.23636	3.0
301.16519	54.3
317.24750	3.0
335.25842	100.0
336.26181	3.1
433.31247	3.5
451.31958	8.6
469.33365	5.4
487.34131	2.5
525.35809	11.0
543.28284	3.8
543.36841	73.8
544.37024	6.0
561.37848	47.0
596.66669	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01873	7.1
55.05519	19.3
57.03441	16.8
57.07089	2.2
59.05015	1.6
61.02920	6.6
65.03941	4.6
67.05509	75.4
69.03426	5.2
69.07072	16.8
70.17818	6.4
71.01351	4.7
71.04996	4.4
79.05501	54.4
81.03430	21.7
81.07062	64.4
83.01353	2.8
83.04984	13.5
83.08631	12.0
85.02911	6.8
85.06546	4.5
86.09724	2.6
91.05486	29.7
93.07053	64.4
95.04978	8.6
95.08616	46.5
97.02921	7.6
97.06530	7.1
97.10184	4.4
99.04452	2.2
105.06410	1.9
105.07052	21.8
107.04967	13.5
107.08596	30.6
109.06532	5.0
109.10168	16.2
111.04445	7.1
111.08082	5.3
117.07021	15.9
119.08597	21.6
121.06507	2.4
121.10150	28.1
123.08094	4.4
123.11722	7.1
125.09611	3.2
129.07039	4.3
130.07843	1.8
131.04936	2.1
131.08586	14.0
133.10132	13.0
135.08055	2.8
135.11700	29.1
137.09645	4.3
139.11263	3.0
143.08646	1.9
145.10121	21.6
147.08066	3.3
147.11705	7.4
149.09642	3.0
149.13297	5.7
153.12738	10.5
155.08539	3.1
157.10167	2.0
159.11751	7.1
159.67348	1.5
161.13268	3.9
162.74173	1.4
163.11197	27.5
163.14880	2.0
173.09627	3.3
173.13318	3.6
181.12277	8.7
184.07373	6.7
191.10654	9.7
209.11719	29.0
209.13611	1.7
212.30794	1.7
227.12785	18.2
243.21074	3.8
245.13911	4.7
261.22220	14.8
265.14352	4.5
283.15454	28.4
299.23715	2.5
301.16458	62.6
317.24728	3.0
335.25815	100.0
336.26065	4.1
433.30829	1.6
451.31946	3.5
469.32913	3.4
525.35773	6.9
543.36829	42.8
561.37933	74.7
562.38019	3.4
579.39996	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96745	2.1
53.03948	8.7
55.01878	11.8
55.05517	46.7
57.03441	22.9
57.07077	3.3
57.53262	2.2
60.23593	1.9
61.02939	6.7
65.03942	5.7
67.05511	100.0
69.03431	7.0
69.07076	27.6
69.33168	16.5
71.01357	3.7
71.04993	6.6
73.02924	3.9
79.05502	82.2
80.21913	2.0
81.03426	45.1
81.07063	90.7
83.04990	21.6
83.08628	19.3
85.02914	8.3
85.06570	3.5
86.09705	4.4
91.05484	53.9
93.07053	83.7
95.04974	17.5
95.08621	64.3
97.02912	17.5
97.06535	11.1
97.10178	18.3
99.04494	3.1
103.05464	2.4
105.04524	2.4
105.07040	36.5
107.04964	23.8
107.08602	50.0
109.06513	4.9
109.10167	25.1
111.04420	9.1
111.08096	6.5
115.05478	2.8
117.07030	19.0
119.08588	30.9
121.06548	5.4
121.10163	34.6
123.11739	5.3
125.09618	12.5
127.03941	3.2
129.07013	7.4
131.08591	22.2
133.06494	3.0
133.10132	17.4
135.08083	4.4
135.11697	33.5
137.09665	2.8
143.08580	4.8
143.73965	2.0
145.10138	25.9
147.08095	5.3
147.11693	16.2
149.09644	4.6
149.13292	6.7
153.12737	18.7
155.08562	3.3
157.10168	7.3
159.11713	9.2
160.40273	2.0
161.09651	3.5
161.13289	5.4
163.11191	38.6
163.14832	2.4
171.11716	3.4
173.09663	6.4
173.11862	4.3
173.13304	6.6
175.11075	2.6
175.14885	3.3
181.12286	9.6
182.54863	2.0
183.11627	2.3
184.07333	15.8
185.13206	2.3
187.14871	3.2
191.10730	9.5
193.12227	8.2
198.09094	2.2
199.13333	8.9
209.11699	11.2
224.36160	2.1
227.12802	30.9
229.14299	3.1
243.21045	2.7
259.20459	9.2
261.22052	10.1
265.14395	4.4
267.15884	16.5
277.21680	4.4
283.15421	21.8
292.86188	2.1
301.16315	2.4
335.25830	60.5
336.26291	4.0
351.25394	3.0
382.33994	2.3
477.36252	3.1
480.34055	2.0
543.36743	8.5
734.87781	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.5
55.01865	8.8
55.05519	40.2
56.69511	6.8
57.03448	31.8
57.07078	6.0
61.02524	5.0
61.02898	8.2
64.13396	4.9
65.03931	7.9
67.05510	86.6
69.03399	5.3
69.07079	27.6
69.99822	27.1
71.05006	9.4
74.63464	5.4
79.05499	95.2
81.03423	82.3
81.07051	80.7
83.04977	24.6
83.08623	34.0
85.02922	32.1
86.09710	11.0
90.15398	5.5
91.04990	7.6
91.05492	98.3
93.07055	92.7
95.04972	44.0
95.08611	45.7
97.06512	8.9
97.10155	14.5
103.05457	7.7
105.07037	97.1
107.04974	11.0
107.08605	50.2
107.67905	4.6
109.02863	5.3
109.06543	14.1
109.10137	22.6
111.08062	22.1
117.07014	24.4
119.08599	90.5
121.10153	38.0
123.08152	6.2
124.99998	8.4
125.09649	7.4
129.07031	28.7
129.07854	5.3
131.08591	47.2
133.10141	69.8
135.11693	16.9
143.08559	15.1
145.10146	30.7
147.08078	10.7
147.11673	62.9
149.09563	11.0
149.13235	10.5
157.10098	28.8
159.11702	34.1
159.12863	6.0
161.13264	29.0
171.11687	20.4
173.13286	19.0
175.11195	14.1
175.14784	14.0
184.07327	34.4
184.39056	6.1
185.13335	14.0
193.12236	56.2
199.14754	7.6
211.13310	73.5
227.12753	8.0
241.19542	32.0
259.20612	74.5
267.15976	29.0
267.68021	5.5
269.17410	19.6
285.16940	85.7
308.53568	5.7
315.23181	8.6
333.24304	78.8
433.31161	7.5
439.26764	6.8
451.31876	14.1
459.85553	5.4
515.37317	7.1
525.35773	41.2
543.36890	100.0
758.45435	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	757.2187
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01856	0.3
55.05527	0.2
56.04955	0.2
57.03439	1.4
61.02919	0.3
61.50530	0.2
68.99792	0.2
69.03426	0.8
71.04996	7.2
71.49164	0.2
73.02909	0.2
75.04452	0.3
76.97428	0.1
78.96674	0.2
81.03404	0.6
83.04987	0.4
85.02909	10.3
86.29250	0.1
87.04469	0.2
91.74310	0.1
97.02910	1.2
99.04473	0.2
107.04943	0.3
109.02831	0.3
111.00777	0.4
111.04420	0.4
114.33242	0.2
121.02885	2.1
127.03939	0.9
129.05489	2.1
133.02852	0.3
137.02325	0.6
139.03926	0.2
145.04956	0.6
145.06491	0.2
147.04401	0.4
147.06514	0.4
153.01823	2.4
157.06499	0.2
165.01830	1.3
183.02921	0.6
185.05971	0.2
197.05916	0.2
213.05498	0.8
231.06544	0.5
241.04939	0.7
258.05225	0.7
287.05505	100.0
288.05853	2.3
303.04913	0.2
329.06503	0.3
449.10825	19.7
450.11133	0.6
587.23303	0.2
644.21234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
57.03429	0.4
61.02913	0.4
65.03938	1.2
68.99806	0.5
69.03432	2.0
69.46957	0.2
71.05004	0.2
71.49458	0.3
81.03422	3.6
82.75158	0.2
85.02906	3.4
91.05486	8.9
93.25089	0.2
97.02901	1.7
99.04440	0.6
105.03381	0.3
109.02879	1.4
111.00789	0.4
119.04945	18.0
121.02872	4.9
127.03926	1.8
129.07034	0.2
133.02846	0.5
137.02301	1.0
137.06010	0.4
145.02930	0.3
145.04956	0.5
145.06456	0.2
147.04413	100.0
148.04707	1.2
153.01828	2.8
157.06512	0.2
163.03888	0.4
165.01826	0.8
165.05486	2.9
167.07126	0.3
175.94310	0.2
183.02986	0.3
185.05930	0.3
189.05424	0.2
201.05292	0.2
213.05449	0.7
227.80736	0.2
231.06532	0.5
241.04964	0.6
245.04535	0.3
258.05219	0.5
287.05505	60.2
288.05789	1.6
291.08621	5.2
308.58755	0.2
309.09702	3.9
309.65152	0.2
311.61176	0.2
329.06427	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	756.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.3
55.01869	3.7
55.05273	1.9
55.05513	24.6
56.05641	1.3
57.03440	16.0
57.07069	1.4
58.83204	1.1
59.04968	1.1
59.15070	1.2
60.08166	1.8
61.02920	2.3
65.03939	2.2
67.05508	68.7
69.03424	4.9
69.07065	15.7
69.35002	9.7
71.04987	3.3
71.07391	1.1
79.05499	47.0
81.03421	91.5
81.07057	64.0
81.07464	0.9
82.03760	1.3
83.04988	5.7
83.08622	23.0
85.02891	2.5
85.06538	3.0
86.09708	2.9
91.04913	1.7
91.05486	38.5
93.07049	47.3
95.04973	28.2
95.08611	45.0
95.09248	1.7
97.02887	3.8
97.06522	4.5
97.09645	1.2
97.10152	6.4
98.20808	2.8
105.07033	30.3
107.04973	7.6
107.08595	29.5
109.06521	5.4
109.10167	20.6
111.08096	7.3
115.05479	1.8
117.07063	8.5
119.08588	22.0
121.06496	3.8
121.10145	24.4
123.04420	3.0
123.08073	4.9
123.11703	7.4
125.00018	3.6
125.09646	6.4
129.07036	10.9
131.08571	21.3
133.06517	3.1
133.10141	12.7
135.08073	2.8
135.11685	17.3
137.09628	3.2
137.13269	2.0
141.06905	1.3
142.07761	2.2
143.08571	2.3
145.10135	10.8
147.08080	2.9
147.11690	15.8
149.09590	5.5
149.13272	9.1
151.11201	1.6
155.08530	2.4
157.10098	9.0
159.11700	7.2
161.13249	5.1
163.11154	2.7
163.14784	4.0
165.12683	1.7
171.11737	2.7
173.13275	6.7
175.11214	10.5
175.14891	2.8
183.11707	2.1
184.07346	18.2
185.13264	1.9
187.14790	3.5
189.11211	3.5
189.16469	1.8
193.12268	23.3
211.13304	2.2
227.12801	7.4
235.13330	1.8
243.21060	5.3
249.14818	3.7
261.22147	22.0
267.15927	100.0
268.16156	1.6
279.23157	2.2
295.22635	1.4
299.15036	2.0
301.14331	1.5
301.25180	7.5
309.37448	1.2
317.24875	3.5
335.25821	89.8
336.26370	2.3
403.24814	1.6
417.26486	1.5
421.26035	1.9
435.32510	4.3
450.65289	1.3
453.33664	10.0
471.34573	4.3
509.36066	2.6
527.37335	56.0
528.37604	2.3
545.38403	39.3
546.38727	2.2
569.38257	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
56.05019	1.0
57.07055	0.5
58.06590	0.5
60.08166	5.3
67.05509	1.5
69.07052	0.8
69.30887	2.2
69.31295	0.3
71.07379	3.7
79.05486	0.8
81.07041	1.1
83.08587	0.5
86.09710	29.7
89.01811	0.3
91.05490	0.5
93.07005	0.6
95.08614	0.6
97.10194	0.3
98.98483	3.5
104.10736	1.5
105.07055	0.5
107.08582	0.3
109.10167	0.5
125.00013	21.2
133.10167	0.3
163.11174	0.3
174.90668	0.3
184.07350	100.0
263.04919	0.3
264.22098	0.3
266.89719	0.2
268.02780	0.3
273.18546	0.3
275.20142	0.4
308.29297	0.4
327.49869	0.3
424.45737	0.3
435.59946	0.4
584.43805	0.5
585.45276	1.3
615.49091	0.3
756.55701	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1975
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03942	0.6
57.03438	0.3
61.02918	0.5
65.03941	1.1
68.70283	0.1
68.99806	0.5
69.03096	0.2
69.03434	1.9
69.35341	1.3
71.05009	0.2
73.02914	0.3
79.05544	0.2
81.03423	3.7
85.02913	3.4
91.05486	8.1
93.15606	0.2
97.02892	1.6
99.04460	0.6
105.03393	0.3
107.04965	0.3
109.02892	1.4
111.00806	0.4
111.04463	0.2
119.04948	17.9
120.05287	0.3
121.02871	5.1
127.03928	2.1
131.04955	0.2
133.02837	0.5
137.02359	0.8
137.06003	0.4
145.04990	0.4
147.04416	100.0
148.04755	1.4
153.01828	2.9
157.06462	0.2
163.03946	0.7
165.01852	0.9
165.05498	3.1
167.07082	0.4
177.05615	0.2
181.04976	0.3
183.02933	0.3
185.06055	0.2
197.06129	0.2
213.05481	0.8
231.06508	0.5
241.04974	0.9
245.04506	0.4
258.05264	0.4
259.06067	0.3
287.05515	58.4
288.05862	1.3
288.48737	0.2
291.08633	5.7
309.09702	3.6
311.05362	0.2
329.06662	0.3
417.15018	0.2
501.94617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	3.2
53.03942	3.8
55.01863	3.8
55.05271	1.7
55.05515	19.5
57.03450	12.0
57.07078	3.2
59.04987	2.6
61.02919	4.7
65.03932	2.7
67.05507	58.2
69.03422	3.0
69.07072	12.3
69.22942	8.3
69.23352	2.4
71.01357	2.9
71.04996	2.7
73.02908	1.4
79.05495	34.7
81.03422	5.7
81.07059	53.8
83.04993	3.8
83.08619	10.8
85.02909	4.7
85.06532	2.4
86.09704	6.4
87.04472	1.3
88.39176	1.1
91.03991	1.7
91.05485	38.5
93.07046	43.7
95.04964	6.5
95.08614	35.7
97.02903	5.5
97.06528	4.0
97.10189	2.9
98.20773	1.7
99.00813	15.7
99.04483	1.5
99.08101	1.6
103.05477	1.8
105.04577	1.3
105.06325	1.5
105.07026	28.4
107.04956	5.3
107.08600	24.7
109.02888	12.1
109.06524	4.2
109.10159	20.6
111.08073	2.7
115.03954	1.3
117.07012	7.5
119.08583	15.5
121.05717	1.4
121.06499	6.4
121.10155	16.6
123.04449	1.5
123.08084	2.8
123.11720	7.8
125.00011	3.2
125.09610	1.6
126.81942	1.2
127.03889	1.1
128.06224	2.5
129.06995	1.5
131.08572	12.6
133.06554	1.3
133.10139	37.7
135.08064	2.8
135.11688	12.4
137.09631	2.7
137.13292	1.4
139.07524	2.7
140.03754	1.2
143.08560	4.9
145.06468	1.5
145.10124	5.6
147.11699	4.7
149.09607	2.2
149.13268	5.2
151.11208	11.8
153.12738	1.2
159.11710	5.2
161.09627	18.4
161.13264	4.4
163.11156	2.0
163.14856	2.4
171.08061	4.0
173.13271	4.0
175.14832	1.8
179.10710	9.4
184.07347	23.3
187.14726	1.8
189.09114	7.0
197.11642	1.4
201.16420	1.1
207.10156	4.0
211.72832	1.3
225.11215	16.7
233.86809	1.3
241.19576	1.3
243.12271	4.1
243.21153	6.7
255.15782	1.3
261.22168	21.6
277.21707	2.7
281.13809	5.0
299.14899	82.0
300.15292	2.0
315.23004	1.9
317.24756	2.9
335.25806	100.0
336.26163	2.9
344.08813	1.2
397.10358	1.2
419.03735	1.1
439.32019	1.5
449.30563	2.0
467.31412	4.8
485.32455	2.7
513.35681	2.6
523.34558	1.8
527.68878	1.2
531.37671	1.7
541.35211	10.3
545.72015	1.4
559.36340	50.3
560.36224	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	2.0
53.03941	4.2
55.01871	4.9
55.05518	24.8
55.28784	1.2
57.03443	12.7
57.07066	2.5
57.07517	1.1
58.23127	1.2
59.04992	1.5
60.08170	2.5
61.02928	4.2
65.03939	3.2
66.38639	1.1
67.05508	55.3
69.03411	2.8
69.07069	12.4
70.46655	3.8
71.01340	1.6
71.04997	2.5
76.96883	1.2
79.05498	39.1
81.03427	6.0
81.07059	56.2
83.04974	4.8
83.08628	12.3
85.02914	3.5
85.06551	2.9
86.09715	9.4
91.03989	1.6
91.05487	37.2
93.07047	49.6
95.04981	7.0
95.08616	36.8
95.09150	1.0
97.02906	6.4
97.06528	5.1
97.10164	4.8
99.00824	12.8
105.07037	26.7
107.04941	6.6
107.08601	28.8
109.02884	12.4
109.06536	2.1
109.10160	19.0
111.08089	3.8
115.03971	2.2
117.07024	8.4
119.04955	1.7
119.08594	18.6
121.06522	5.7
121.10154	18.4
121.66905	1.1
123.08044	1.9
123.11742	5.9
125.00003	7.0
125.09644	1.7
127.03940	2.9
128.06262	1.5
129.07004	1.3
131.08574	10.5
133.06514	1.5
133.10144	47.8
135.08034	2.0
135.11676	12.1
137.09567	1.6
139.07550	3.8
139.11137	1.4
143.08549	6.2
145.06450	1.8
145.10103	7.2
147.08112	2.8
147.11702	5.2
149.09647	2.3
149.13260	6.0
151.11185	11.1
157.10120	1.4
159.11742	6.1
161.09647	18.6
161.13255	3.2
163.07594	1.3
163.11293	1.6
163.14819	3.9
171.08109	2.7
173.13306	4.4
178.00867	1.3
179.10698	8.7
184.07353	30.7
187.14754	1.5
189.09114	10.7
197.11711	1.8
207.10201	3.9
225.11255	15.1
233.22687	1.7
243.12346	3.7
243.21132	7.5
261.22174	21.8
277.21826	1.4
279.23410	1.2
281.13855	9.2
299.14911	87.2
300.15515	1.5
315.23212	3.7
317.24854	3.1
335.25824	100.0
336.26120	2.9
367.14929	1.7
421.31317	1.5
431.29590	1.3
449.30576	1.9
467.31607	5.1
485.32538	2.5
513.35773	3.6
523.33734	1.4
531.36963	3.0
541.35345	11.8
559.36340	56.3
560.36829	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	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.6
55.01874	14.1
55.05521	16.3
57.03437	14.1
67.05144	2.3
67.05507	47.7
69.03429	5.6
69.07078	25.8
71.04997	2.9
73.89787	2.3
79.05501	44.4
81.03427	39.1
81.07059	53.3
83.04971	12.9
83.08630	19.0
85.02915	14.7
86.09698	4.7
91.05487	66.6
93.07053	36.2
94.83408	2.6
95.01339	6.7
95.04981	21.4
95.08614	31.8
97.02888	3.1
97.06538	29.0
97.10149	4.1
98.20798	5.9
105.07036	82.2
107.04949	15.7
107.08615	17.3
109.06509	4.2
109.10184	9.4
111.08078	7.8
113.06031	2.8
117.07012	16.6
119.08585	46.5
121.06500	6.4
121.10162	12.5
123.08045	4.5
124.81477	2.1
125.09603	3.4
129.07025	7.8
131.08562	20.9
133.10149	34.4
135.08081	3.3
135.11676	8.4
137.09674	5.0
142.07758	4.9
143.08546	4.9
145.10135	13.4
147.11693	20.8
149.09637	9.6
157.10120	9.2
159.11679	8.3
161.13274	4.9
163.11201	6.5
175.11212	6.9
175.14842	2.4
177.12799	2.6
179.14317	12.3
183.98624	2.5
184.07320	14.4
187.11241	2.3
193.12254	20.8
211.13295	27.3
229.94061	2.4
239.60385	2.6
257.18970	6.8
267.15915	34.8
275.20065	73.4
285.16974	68.7
293.21051	3.6
349.23730	33.6
367.13022	2.6
388.83032	2.8
466.60223	2.7
494.20868	2.4
541.35254	62.9
559.36359	100.0
560.36798	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	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.9
55.01870	10.8
55.05512	16.4
57.03445	7.4
64.50381	2.2
65.03970	3.2
67.05508	40.0
69.03432	4.5
69.07075	26.2
69.10750	2.5
71.49725	2.5
79.05499	38.1
81.03423	26.6
81.07064	51.6
83.04990	11.3
83.08627	12.2
85.02930	12.2
91.05487	55.9
93.07050	37.9
95.01333	6.7
95.04961	13.8
95.08618	28.0
97.06512	17.4
97.10146	3.3
105.07041	60.3
107.04968	13.9
107.08617	16.3
109.06522	3.5
109.10158	8.9
111.08080	6.5
117.07016	15.6
119.08588	43.1
120.08846	2.4
121.06460	4.8
121.10175	12.0
123.04461	3.6
123.08066	4.1
129.07013	9.5
131.08580	20.6
133.10135	36.2
135.08022	2.9
135.11699	6.2
141.06999	3.7
143.08591	4.1
145.06528	2.6
145.10165	16.9
147.08194	2.9
147.11684	20.9
149.09631	6.5
155.08694	2.5
157.10161	9.1
159.11736	8.8
161.13264	4.4
163.11180	3.8
172.62663	2.4
173.13280	3.7
175.11163	6.0
177.12747	3.4
179.14357	13.4
184.07391	4.5
185.13336	3.0
187.11235	2.9
193.12221	15.7
211.13278	17.5
219.17415	11.7
257.18985	8.4
266.86401	2.6
267.15994	17.3
275.20090	72.5
283.15610	2.8
285.16983	33.5
293.21106	3.8
304.36459	2.4
335.48615	2.6
349.23740	34.4
515.91473	2.6
541.35254	43.5
545.96625	3.0
555.08057	2.5
559.36267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01865	3.9
55.05270	1.5
55.05516	15.8
57.03450	7.5
67.05512	14.9
69.03437	2.4
69.07056	3.4
70.60883	3.4
71.04999	1.7
79.05499	17.4
81.03423	48.0
81.07059	17.4
83.04980	4.3
83.08626	15.8
91.04987	1.4
91.05492	15.6
93.07056	11.7
95.04976	17.4
95.08633	7.1
97.06525	3.2
97.10180	14.7
99.32214	1.1
105.07031	11.8
107.04974	13.5
107.08583	9.8
109.06530	8.8
109.10155	5.5
110.07558	1.1
111.08102	5.6
115.05486	2.3
117.07028	5.0
119.04964	1.2
119.08582	10.6
121.06487	8.4
121.10149	6.4
123.08080	4.9
125.09646	15.0
129.06998	6.3
131.08571	7.9
133.06480	4.9
133.10126	4.4
135.08035	4.2
135.11626	1.6
137.05911	1.4
139.11165	1.3
143.08514	2.5
145.06509	6.0
145.10092	4.2
147.08044	5.6
147.11647	5.8
149.09622	4.3
153.09073	1.8
155.08490	2.0
157.10176	6.3
159.08060	2.0
159.11685	2.7
161.06024	1.8
161.09564	1.5
163.11176	3.1
165.12802	1.4
167.08423	1.4
169.10156	2.1
171.07990	1.4
171.10208	1.9
171.11589	1.6
173.09708	1.4
173.13232	1.4
175.11243	5.8
184.50864	1.1
189.11200	4.7
189.12741	1.8
191.14311	1.6
193.12277	12.6
195.11748	2.9
197.13326	1.8
199.11238	2.0
205.12199	2.5
215.14293	2.4
219.13818	2.8
221.48978	1.4
227.14632	1.5
231.13821	2.0
233.15382	3.6
237.12730	1.7
237.15042	1.6
255.13762	2.3
267.15939	34.3
273.14703	6.2
275.16492	1.9
339.23160	1.8
349.21536	4.2
357.24655	1.9
367.22708	15.4
385.23770	24.6
403.24857	6.4
410.30893	1.5
441.26459	8.1
459.27457	100.0
460.27631	2.5
477.28522	85.3
478.29013	2.2
491.29990	10.0
501.28290	1.9
509.30862	3.2
541.33344	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.5
67.05514	40.4
69.07059	15.3
70.06396	8.0
70.06763	12.6
79.05500	29.8
81.07056	40.3
83.08601	10.3
86.09694	9.1
86.58363	3.4
91.05476	12.4
93.07043	35.0
95.04906	6.3
95.08624	23.3
98.30358	4.0
105.07035	8.2
107.08587	19.6
109.10144	12.7
111.07998	4.4
117.07030	5.2
119.08593	6.6
121.10140	14.2
125.00018	9.2
131.08539	6.1
133.10150	7.4
135.11688	9.7
147.11710	9.6
149.13254	15.4
159.11691	9.2
173.13174	4.4
177.12756	5.2
184.07332	27.0
195.13774	6.4
234.41820	4.7
261.22119	14.1
269.17477	85.8
335.25818	83.0
488.59177	4.5
500.99811	4.3
529.38940	100.0
530.38690	7.2
736.57538	4.5
754.50183	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	754.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01863	3.8
55.05514	27.8
57.03443	15.3
57.07067	3.7
60.08149	2.1
61.02916	5.2
61.59833	1.3
65.03934	5.1
67.05510	72.9
67.61421	1.5
69.03423	5.7
69.07073	18.6
69.29322	12.4
71.04986	3.9
77.03907	1.6
79.05498	53.2
81.03423	12.4
81.07059	62.0
83.04987	8.2
83.08611	13.8
85.02926	8.0
85.06570	2.3
86.09715	13.1
91.05484	37.7
93.07048	52.2
95.04976	20.3
95.08614	38.8
97.02907	3.3
97.06534	4.7
97.10177	15.5
99.08067	1.9
103.05516	2.1
105.07041	20.5
107.04961	7.2
107.08600	26.8
109.02884	2.1
109.06517	4.9
109.10172	24.6
111.08092	4.7
115.05528	1.8
117.07035	15.0
119.08595	15.7
121.06485	5.2
121.10155	18.6
123.08089	1.9
123.11721	4.4
125.00010	8.9
125.09640	13.2
129.06982	2.3
131.08578	17.0
132.70712	1.4
133.10138	12.2
135.08061	3.3
135.11700	10.5
135.66135	1.3
137.09592	1.3
141.06992	2.1
143.08562	3.8
145.10121	11.3
147.11682	5.5
149.09695	1.7
149.13258	8.2
155.08618	1.8
157.10127	4.6
159.11684	13.6
161.13239	4.1
163.14842	2.3
169.10143	1.5
171.10120	2.2
171.11583	2.3
173.11871	2.8
173.13275	7.1
175.14783	1.7
177.12799	5.0
183.11760	2.1
184.07359	45.0
185.13300	1.7
187.11157	3.1
187.14853	3.4
189.11227	8.9
193.12396	2.2
205.12297	2.7
205.77434	1.2
223.13289	53.8
227.12804	9.6
229.14401	10.1
243.21085	2.2
259.20737	1.5
261.22156	12.5
279.16019	2.8
297.16983	100.0
298.17310	1.6
301.16321	1.5
309.60684	1.4
313.27322	4.7
317.24518	2.3
329.24597	1.8
335.25812	66.5
336.25928	2.0
391.69666	1.4
465.33765	2.7
467.36484	1.5
483.34735	1.7
489.36124	6.4
536.15680	1.4
539.37274	4.6
557.38330	39.3
650.43512	1.7
754.46619	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	753.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37836	0.2
55.16296	0.2
63.86020	0.2
65.03953	0.2
69.03436	5.5
69.41831	1.6
75.54408	0.2
79.01863	3.8
81.03405	0.6
85.02872	0.2
96.14713	0.2
97.02898	2.0
107.01317	1.2
107.04962	0.5
109.02887	0.7
119.04926	0.3
121.02898	1.0
125.02357	2.7
127.03929	2.5
129.79329	0.2
131.04919	0.4
135.04376	0.4
143.03391	4.7
147.04445	0.7
149.07349	0.2
151.03932	0.4
153.01840	100.0
153.02888	5.2
154.02147	0.7
159.04382	0.6
163.03923	1.3
165.01826	0.6
171.02911	0.9
175.03986	0.3
177.05440	0.2
179.03409	1.3
181.01285	0.4
183.02853	0.3
191.03403	2.5
195.02908	0.5
205.04962	0.9
207.02933	1.1
209.04463	0.8
213.05637	0.3
215.03476	0.3
219.02934	0.5
221.04500	0.4
233.04460	0.8
237.03966	2.2
237.84042	0.2
241.05003	0.2
249.04086	0.3
251.05591	0.3
261.03943	0.7
279.05072	0.5
287.05524	22.7
288.05844	0.6
297.06085	2.7
315.07300	0.3
439.06366	0.4
449.07202	0.5
467.08240	0.4
701.47638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1297
Annotation	Loropetalin D
Peak:m/z	Relative Intensity
53.03946	0.7
55.01870	0.6
62.51978	0.2
68.99803	0.3
69.03425	0.6
69.45903	0.4
69.46308	0.9
71.56451	0.2
79.01857	5.8
81.03418	2.2
85.02925	0.2
97.02895	10.2
98.20670	0.2
99.04457	0.5
100.36479	0.2
107.01310	2.9
107.04952	0.3
109.02883	4.0
111.00805	0.3
119.04929	0.2
121.02869	1.7
123.00779	0.2
123.09496	0.2
125.02368	3.5
127.03923	8.8
135.00784	0.2
136.83884	0.2
137.02342	0.5
137.03442	0.2
142.19774	0.2
143.03403	5.7
147.04422	0.2
153.01837	100.0
153.02901	6.4
154.02197	1.0
163.03873	0.9
165.01860	0.7
166.08826	0.2
171.02895	16.9
175.66582	0.2
183.02885	0.3
213.05473	0.5
241.04955	0.6
258.05273	0.5
259.06055	0.3
261.04160	0.2
287.05508	35.8
288.05826	1.1
297.06085	3.8
299.05383	0.2
376.31293	0.2
395.07825	0.4
467.08060	0.4
515.42535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1297
Annotation	Loropetalin D
Peak:m/z	Relative Intensity
53.00304	0.2
53.03942	0.2
55.01873	0.2
68.19403	0.1
68.99780	0.1
69.03435	0.8
69.85347	0.4
79.01856	4.3
81.03419	0.9
85.02949	0.2
87.00865	0.2
95.34161	0.1
97.02899	1.1
98.20928	0.2
107.01326	1.0
109.02888	0.5
121.02939	0.2
125.02348	2.4
127.03926	1.9
143.03404	5.2
143.04530	0.3
147.04428	0.1
153.01839	100.0
153.02884	5.6
154.02193	0.6
157.88402	0.1
160.50697	0.1
161.06049	0.1
163.03889	0.6
171.02892	0.4
191.03377	0.9
191.04900	0.1
219.02872	0.2
233.04355	0.2
237.03964	2.9
261.03995	0.5
279.04944	1.1
287.02231	0.2
287.05496	4.8
297.06012	1.6
305.02969	0.2
311.05246	0.2
315.06989	0.2
449.07193	4.6
467.08267	1.3
533.00208	0.2
542.22522	0.1
783.79761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.01873	4.5
55.05517	21.1
57.03444	15.5
57.07077	15.1
61.02929	6.4
67.05509	29.7
69.03431	5.4
69.07075	26.5
71.05000	4.2
71.07394	2.5
71.08635	5.0
71.50433	3.6
73.02928	6.2
79.05493	22.7
81.02945	4.0
81.03426	75.1
81.07061	35.5
83.04990	4.9
83.08636	30.1
85.02923	5.5
85.10217	3.9
86.09712	16.4
87.04470	16.4
91.03988	2.2
91.05015	2.3
91.05487	14.5
91.58694	1.9
93.07048	20.6
95.04971	19.5
95.08615	21.7
97.02908	4.9
97.06544	4.7
97.10173	11.5
98.98413	2.2
101.76832	2.1
105.07037	15.5
107.04976	4.8
107.08623	10.6
109.10183	8.6
111.04457	3.0
111.08104	9.0
111.11736	2.9
117.07014	3.0
119.08582	10.6
121.06537	3.8
121.10161	17.5
123.11735	4.9
125.00049	5.6
125.09703	2.3
129.07030	5.0
131.08578	9.2
133.06567	2.5
133.10165	5.4
135.08109	3.3
135.11708	10.2
137.13260	2.1
145.10188	2.5
147.11719	8.5
149.09677	3.8
149.13266	3.2
157.10147	7.2
163.14897	2.6
175.11252	7.6
184.07375	41.0
193.12241	24.9
211.13382	2.3
228.96004	2.5
265.14243	2.3
267.15933	100.0
268.16315	5.0
311.25827	78.5
312.26450	2.0
313.27420	7.6
314.27911	4.4
469.20520	3.5
470.20926	3.1
503.37384	64.9
504.37674	4.1
506.39813	3.1
521.38556	10.7
695.22693	2.6
750.44763	91.6
751.45184	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	752.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01880	1.4
55.05510	9.6
57.03439	15.7
57.07079	30.4
65.03963	1.6
67.05512	18.4
69.03433	1.9
69.07072	9.0
71.05003	1.5
71.08634	21.1
79.05492	11.2
79.64493	1.3
81.03422	60.5
81.07064	21.1
83.04971	2.5
83.08624	19.3
85.02911	2.1
85.10180	11.5
86.09708	3.7
87.16091	1.3
89.06034	2.2
91.05490	12.8
93.07033	7.9
95.04977	18.6
95.08610	19.8
97.02859	2.4
97.06541	2.2
97.10169	4.3
98.98434	1.7
105.07037	7.0
107.04959	5.1
107.08609	4.2
109.06516	2.8
109.10171	9.3
111.04451	1.3
111.08092	4.8
115.05468	1.4
117.07007	2.0
119.08588	7.9
121.06483	1.6
121.10153	4.2
123.11728	2.8
125.00024	1.4
129.07013	5.1
131.08588	5.3
133.06529	2.6
133.10153	3.9
135.11746	1.8
137.05980	1.8
142.07788	2.4
147.08057	3.2
147.11690	5.5
149.09641	3.7
157.10133	7.2
165.12813	1.7
175.11197	5.2
184.07350	10.8
185.07571	1.6
188.34039	1.3
193.12262	26.0
201.30530	1.2
221.15256	2.5
239.23628	1.8
249.14749	1.6
253.78212	1.1
253.99971	1.3
257.24820	1.9
260.40036	1.4
267.15939	98.5
268.16263	4.1
295.19052	2.2
313.27374	100.0
314.27664	4.1
335.25708	2.3
455.84265	1.3
463.60065	1.5
481.03607	1.6
505.38901	82.1
506.39322	3.5
523.40118	1.4
547.40118	4.2
555.40295	2.0
595.46979	3.3
611.43213	1.7
752.42596	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01872	0.9
55.05525	3.6
56.20856	0.4
57.03442	3.2
57.07068	2.7
61.02930	5.6
65.03942	0.5
67.05511	8.1
69.03443	2.8
69.07074	3.6
71.01339	0.6
71.04996	1.1
71.08635	2.3
71.50436	0.7
73.02917	3.2
79.05494	5.3
81.03420	10.4
81.07059	7.7
83.04992	2.0
83.08627	4.6
85.02906	6.6
85.06487	0.6
85.10164	0.8
86.09700	1.8
87.04455	1.0
91.03961	3.1
91.05485	4.6
93.07041	4.0
95.04973	3.3
95.08614	5.7
97.02892	4.8
97.06545	0.8
97.10159	1.2
99.04455	1.1
101.02402	1.5
103.03990	0.5
105.07032	3.8
107.04967	1.2
107.08614	1.9
109.02890	1.4
109.06522	0.7
109.10146	2.2
111.04448	0.7
111.08104	1.1
115.03946	0.6
117.07028	1.0
117.99835	0.5
119.08583	3.6
121.10151	2.6
123.11725	1.1
125.00026	2.0
127.03936	1.6
129.06979	1.0
131.08609	0.6
133.06497	0.7
133.10155	2.2
135.11755	1.3
137.09671	0.5
145.10152	0.8
147.11708	2.0
149.09651	0.5
157.10179	1.7
165.12820	0.6
175.11211	1.5
180.11501	0.5
184.07370	8.6
185.04276	0.6
185.07732	1.7
190.00214	0.5
193.12241	4.8
195.00357	0.7
211.13345	1.3
239.23752	1.1
243.08319	2.3
251.12456	1.0
266.28174	0.6
267.15979	6.5
275.20081	0.8
311.25900	1.4
313.27359	5.5
327.36230	0.6
378.73825	0.4
383.22287	0.4
389.62817	0.5
428.68600	0.5
469.20413	8.8
471.21844	0.5
487.33408	0.6
493.16922	0.6
503.37268	1.3
505.38721	2.3
521.31116	3.6
521.38220	0.8
523.40051	0.8
587.47131	0.6
650.92065	0.6
706.91388	0.5
730.44128	0.6
731.70361	0.6
749.44458	100.0
750.44714	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	749.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01872	0.9
55.05525	3.6
56.20856	0.4
57.03442	3.2
57.07068	2.7
61.02930	5.6
65.03942	0.5
67.05511	8.1
69.03443	2.8
69.07074	3.6
71.01339	0.6
71.04996	1.1
71.08635	2.3
71.50436	0.7
73.02917	3.2
79.05494	5.3
81.03420	10.4
81.07059	7.7
83.04992	2.0
83.08627	4.6
85.02906	6.6
85.06487	0.6
85.10164	0.8
86.09700	1.8
87.04455	1.0
91.03961	3.1
91.05485	4.6
93.07041	4.0
95.04973	3.3
95.08614	5.7
97.02892	4.8
97.06545	0.8
97.10159	1.2
99.04455	1.1
101.02402	1.5
103.03990	0.5
105.07032	3.8
107.04967	1.2
107.08614	1.9
109.02890	1.4
109.06522	0.7
109.10146	2.2
111.04448	0.7
111.08104	1.1
115.03946	0.6
117.07028	1.0
117.99835	0.5
119.08583	3.6
121.10151	2.6
123.11725	1.1
125.00026	2.0
127.03936	1.6
129.06979	1.0
131.08609	0.6
133.06497	0.7
133.10155	2.2
135.11755	1.3
137.09671	0.5
145.10152	0.8
147.11708	2.0
149.09651	0.5
157.10179	1.7
165.12820	0.6
175.11211	1.5
180.11501	0.5
184.07370	8.6
185.04276	0.6
185.07732	1.7
190.00214	0.5
193.12241	4.8
195.00357	0.7
211.13345	1.3
239.23752	1.1
243.08319	2.3
251.12456	1.0
266.28174	0.6
267.15979	6.5
275.20081	0.8
311.25900	1.4
313.27359	5.5
327.36230	0.6
378.73825	0.4
383.22287	0.4
389.62817	0.5
428.68600	0.5
469.20413	8.8
471.21844	0.5
487.33408	0.6
493.16922	0.6
503.37268	1.3
505.38721	2.3
521.31116	3.6
521.38220	0.8
523.40051	0.8
587.47131	0.6
650.92065	0.6
706.91388	0.5
730.44128	0.6
731.70361	0.6
749.44458	100.0
750.44714	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	749.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53874	0.4
53.03950	2.0
55.05512	2.6
57.03439	3.2
57.07078	3.4
60.08186	0.5
60.08472	0.5
61.02930	6.4
65.03946	0.4
65.05750	0.5
67.05511	9.7
69.03438	4.3
69.07073	2.6
69.21132	3.6
70.06553	0.4
71.01363	0.6
71.04990	2.4
71.08640	2.5
73.02927	4.9
79.05503	5.5
81.03431	8.5
81.07060	7.7
83.04991	1.2
83.08630	3.0
85.02917	6.0
85.10179	1.3
86.09705	2.8
87.04481	0.5
91.03963	3.6
91.05480	4.9
93.07058	5.7
95.04976	2.7
95.08617	6.7
97.02904	5.6
97.06563	0.8
97.10201	1.2
98.20837	1.0
98.98489	1.3
99.04474	0.9
101.02401	2.0
103.03944	0.7
105.07031	3.1
107.04931	0.4
107.08577	2.7
109.02889	2.5
109.06492	0.5
109.10162	3.9
111.04450	1.4
111.08086	0.9
117.07015	1.0
119.08576	3.6
121.10162	1.9
123.11728	0.7
125.00043	2.6
127.03945	1.8
129.07040	1.3
131.08606	1.4
133.10167	1.2
135.11693	2.3
137.09639	1.0
145.10133	1.3
147.11732	1.8
149.13254	0.6
157.10110	1.0
159.11732	0.7
161.06084	0.5
161.13313	0.5
163.11189	0.8
165.12834	0.5
173.11771	0.6
175.11221	1.2
184.07362	9.6
184.09000	0.5
185.04219	0.9
185.07701	1.2
191.00140	0.7
193.12245	3.4
195.00337	1.3
211.13313	3.3
239.23839	0.5
243.08440	2.4
253.14194	1.3
258.09015	1.0
267.15945	3.8
285.16940	1.1
313.27371	5.9
335.25833	0.7
344.55463	0.4
409.58636	0.5
431.46121	0.5
471.22028	4.0
487.33984	0.6
493.17471	0.8
505.38632	2.2
519.29333	8.0
523.40106	3.4
528.37622	0.6
608.41736	0.6
699.37451	0.6
749.44470	100.0
750.44885	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	747.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.3
57.03430	1.7
61.02939	3.7
67.05515	3.5
69.03418	2.8
69.07059	0.7
69.25478	3.0
69.25896	2.0
71.01370	0.5
73.02914	3.0
79.05507	3.4
81.03429	3.7
81.07049	3.4
83.08635	1.1
85.02911	5.3
91.03968	2.0
91.05486	1.8
93.07046	3.0
95.04964	1.4
95.08621	1.9
97.02896	3.7
97.06541	0.5
99.04478	0.5
101.02404	1.7
105.07082	1.6
107.08604	1.5
109.02859	0.6
109.10164	1.1
111.08097	0.9
117.07074	0.7
119.08609	1.7
121.10181	1.0
125.00001	0.6
127.03935	0.7
131.08606	1.1
133.10176	0.6
135.11789	0.6
145.10178	0.7
147.11801	0.7
147.81380	0.8
157.10184	1.0
160.11218	0.7
175.11243	0.7
184.07401	1.6
193.12251	2.1
211.13275	1.1
243.08501	2.2
251.12447	3.0
307.15121	0.9
319.89426	0.6
335.26041	0.5
397.04694	0.6
469.20569	8.5
519.29688	4.2
651.16180	0.6
747.42938	100.0
748.43414	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	749.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01860	6.5
55.05511	21.1
57.03444	17.1
57.07078	53.4
57.53969	1.7
58.45567	2.2
60.93082	1.5
62.03551	1.6
65.03925	3.3
67.02863	1.6
67.05181	2.7
67.05508	33.9
69.03419	8.5
69.07063	17.2
69.46275	13.3
69.90031	2.0
71.04980	5.9
71.08630	36.1
73.02937	2.4
73.26582	1.6
77.39371	1.8
77.91135	1.6
79.05498	22.4
81.03420	100.0
81.07059	40.2
83.04987	16.6
83.08623	34.8
85.02912	12.4
85.06541	4.5
85.09822	1.4
85.10185	15.9
86.09691	7.2
87.04482	2.0
87.10027	1.9
88.61734	1.7
89.06012	2.8
91.05482	27.1
93.07046	15.2
94.04211	3.6
95.04971	30.5
95.08604	35.5
97.02881	4.2
97.06535	2.7
97.10149	7.5
98.98457	4.2
99.04443	3.9
103.90734	1.8
105.07033	19.8
107.04939	6.2
107.08586	11.4
109.02871	14.6
109.06512	7.4
109.10159	16.2
110.03651	3.0
111.04436	12.8
111.08091	12.3
111.11728	2.0
113.05930	1.8
117.07008	3.5
119.08579	17.4
121.06511	2.4
121.10147	10.2
123.08094	3.0
123.11699	5.2
125.00005	4.3
125.09597	2.4
127.03915	3.1
129.06985	11.9
131.08557	11.6
133.06514	2.6
133.10136	7.5
137.05968	14.8
138.06259	2.1
142.07788	3.1
145.10078	3.9
147.04387	2.2
147.08034	3.4
147.11685	16.6
149.09613	7.5
157.10091	12.7
163.11140	4.7
165.12837	2.6
175.00633	3.2
175.11195	14.8
181.12222	3.2
184.07344	19.0
191.00133	5.0
191.10574	2.2
193.12253	54.1
195.00284	5.9
211.13284	47.0
227.12805	3.1
235.13277	5.8
239.23700	8.0
267.15930	54.0
277.18109	2.8
278.18381	3.4
285.17111	8.4
301.14194	2.4
309.16870	2.7
313.27368	74.0
314.27560	4.7
419.13269	3.3
465.25171	2.6
493.17422	13.5
505.38959	36.1
506.39322	2.6
523.32794	3.2
523.39978	39.8
527.84985	1.9
539.28772	2.4
547.39343	3.0
590.45062	11.2
749.40778	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	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
53.74742	0.4
55.05497	0.9
56.76818	0.4
57.03436	2.2
61.02932	5.5
67.05514	3.8
69.03436	2.8
69.07088	1.0
70.63099	0.7
70.63414	0.6
71.01373	0.5
73.02920	4.0
79.05507	2.7
81.03418	3.4
81.07067	4.5
83.08604	0.7
85.02911	5.3
91.03954	2.6
91.05478	2.3
93.07059	3.9
95.04972	0.5
95.08617	3.0
97.02904	5.6
99.04486	0.8
101.02402	1.6
105.07049	2.1
107.08621	1.7
109.10183	1.4
111.95687	0.5
119.08610	1.4
121.10187	1.5
127.03936	1.3
133.10069	0.6
135.11728	0.7
145.10173	0.7
175.41364	0.5
184.07446	1.8
193.12317	0.7
243.08611	1.7
251.12643	1.1
265.17331	0.5
464.37805	0.5
469.20724	2.5
519.29248	6.6
648.83789	0.5
747.42957	100.0
748.43591	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	746.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.01872	2.5
55.05511	26.5
57.03442	16.5
57.07062	6.8
61.02912	5.7
67.05508	40.1
69.03421	5.1
69.06744	1.8
69.07075	25.6
71.04987	5.0
71.08630	3.6
71.50423	2.1
73.02885	2.3
75.59832	1.4
79.05496	27.3
81.03423	49.8
81.07063	39.9
83.04977	15.3
83.08621	32.7
85.02910	22.9
85.06542	1.9
85.10162	2.3
86.09692	5.2
89.06015	2.5
91.05485	28.1
93.07044	25.4
95.04974	21.3
95.08607	23.1
97.02882	4.4
97.06524	5.9
97.10167	11.9
99.08082	2.3
105.07036	20.6
107.04947	6.6
107.08593	8.4
109.06504	3.7
109.10155	12.3
111.04457	2.2
111.08105	9.8
111.11682	3.3
117.07031	1.9
119.08574	15.5
121.06523	2.6
121.10136	16.6
122.59692	1.6
123.08084	2.5
123.11696	4.6
125.00044	2.7
127.03883	1.7
129.07010	10.9
131.08600	9.3
133.06467	3.3
133.10149	12.4
135.11691	6.7
137.09561	1.6
139.11205	2.3
145.10025	1.5
147.11685	10.9
149.09621	6.3
149.13251	2.6
150.90239	1.4
157.10141	10.6
165.12726	3.2
175.11200	13.7
184.07307	12.2
193.12260	35.4
195.00304	35.1
211.13290	57.9
223.20284	1.5
227.42798	1.9
265.25064	3.3
267.15903	15.4
285.13678	2.2
285.16962	69.5
339.28955	78.2
358.75775	1.7
492.78714	1.6
525.35431	7.8
531.34338	1.5
531.40485	16.1
549.41522	100.0
550.41486	3.1
575.39313	13.3
593.39093	1.5
654.65790	1.4
697.36749	13.0
746.42700	5.3
747.40814	4.7
751.00458	1.8
756.24969	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
54.31011	1.6
55.01875	2.6
55.05513	11.6
57.03442	14.9
57.07076	2.6
60.08159	5.2
61.02924	2.5
65.03934	1.8
67.05508	56.9
69.03429	3.7
69.07073	16.9
70.99872	2.2
71.00203	2.2
71.04986	4.7
71.07368	2.1
79.05499	34.9
81.03422	100.0
81.07061	47.3
83.04974	3.7
83.08627	6.9
85.02924	3.3
85.06544	1.6
86.09711	25.8
91.05480	33.3
93.07046	39.6
95.04962	8.6
95.08611	37.1
97.02912	2.7
97.06526	5.3
97.10147	2.9
98.98458	4.1
99.08076	1.6
104.10746	1.7
105.04502	1.8
105.07039	15.6
107.04948	3.4
107.08607	22.2
108.08916	1.5
109.06520	2.2
109.10165	20.3
117.07010	7.2
119.08588	28.1
121.06497	6.5
121.10149	16.9
123.04417	2.6
123.08076	4.3
123.11713	5.2
125.00011	17.1
125.09629	1.6
127.19013	1.4
129.07036	2.2
131.08571	12.5
133.10176	9.4
135.08054	3.0
135.11717	10.5
137.09633	18.3
137.13278	1.6
143.06982	1.9
143.08557	2.8
145.10150	7.9
147.08060	8.3
147.11685	6.0
148.12010	1.4
149.09673	2.4
149.13290	7.7
155.08525	1.8
157.10091	2.4
159.11700	7.0
161.13264	4.6
163.14876	3.2
165.09131	17.9
171.11690	2.9
173.13304	3.8
175.14796	1.5
182.22708	1.4
183.10130	2.0
184.07355	80.8
185.13208	2.1
199.09703	3.5
201.16386	1.5
207.10254	1.9
212.02649	1.5
239.12788	74.3
243.21120	5.1
261.22189	15.1
271.15338	3.1
279.23093	1.9
281.13858	2.7
285.21942	2.3
287.93481	1.5
299.23682	2.7
301.25214	3.8
315.36578	1.4
317.24808	1.6
333.24515	1.9
335.25803	77.1
336.26138	2.1
375.22104	1.9
389.29083	1.7
389.53882	1.4
393.22418	1.6
397.30960	1.9
401.26816	2.1
407.29309	3.1
425.30566	7.5
443.31448	2.2
481.32617	2.8
499.34204	43.5
517.35199	26.5
531.36591	4.2
541.35309	4.4
607.35669	1.8
746.42499	10.5
747.42462	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	746.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.05519	7.7
56.05037	1.2
57.03436	7.3
57.07065	1.8
60.08161	5.6
61.02910	1.1
62.18618	0.9
63.57075	0.9
65.03921	1.4
67.05506	25.2
69.03432	1.6
69.07063	5.3
70.17936	3.9
71.04961	1.3
71.07369	2.7
79.05495	22.9
81.03421	37.9
81.07060	21.6
83.04959	3.2
83.08246	0.9
83.08638	11.4
85.02911	1.6
85.06512	1.0
86.09711	28.5
91.04983	1.5
91.05485	16.7
93.06495	1.4
93.07055	23.9
95.04971	12.2
95.08612	16.4
97.02891	2.0
97.06516	3.6
97.10158	3.0
98.98463	3.6
99.08086	1.2
104.10669	2.1
105.07034	11.5
107.04921	2.1
107.08588	11.4
109.06483	2.0
109.10153	7.4
111.08087	2.2
117.07021	4.3
119.08591	8.8
121.06493	1.7
121.10149	12.4
123.08057	1.8
123.11708	3.2
125.00004	19.3
125.09593	2.5
128.06239	1.2
129.07036	4.5
131.08569	9.8
133.10155	7.3
135.07996	1.7
135.11687	9.3
137.09587	2.2
142.07732	1.3
143.08563	2.7
145.10136	6.4
147.08014	2.0
147.11696	7.2
149.09616	4.0
149.13245	2.9
151.11211	1.6
157.10143	5.9
159.11684	5.7
161.13304	1.3
163.11235	2.0
165.12659	1.0
169.10124	1.1
171.11610	1.3
173.13260	3.2
175.11212	2.9
175.14824	1.2
184.07350	100.0
185.07721	1.8
185.13203	1.1
187.14867	1.1
189.11220	1.8
192.76036	0.9
193.12248	9.3
205.19452	1.1
211.13258	1.6
215.17990	7.3
227.12804	3.7
233.19034	8.5
249.14854	1.4
267.15930	49.3
268.16223	1.6
273.09909	1.0
273.22089	2.4
286.94354	0.9
307.22693	27.2
333.15045	1.3
335.25742	1.6
389.28384	1.0
407.24585	1.0
407.29468	3.9
425.30359	3.2
472.39658	1.0
481.33066	1.5
499.34137	21.5
500.33975	1.1
502.22690	0.9
517.35217	16.9
531.36047	1.4
541.35266	2.0
549.38483	0.9
595.36438	1.3
728.41760	1.0
746.46454	5.8
747.42157	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	745.5911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.05515	11.4
57.07068	4.6
57.48957	1.3
65.03921	2.2
67.05509	21.9
69.05585	1.4
69.06792	1.4
69.07076	15.8
69.27359	5.1
69.27785	9.7
71.08633	2.1
71.23138	1.5
72.76722	1.3
79.05497	14.3
81.07064	39.6
83.08653	8.1
91.05484	15.6
93.07050	25.0
95.08614	39.2
97.10162	2.1
98.98487	2.0
100.11631	1.4
105.07040	27.1
107.08607	24.9
109.10158	26.7
114.57089	1.3
117.07005	5.1
119.07806	2.3
119.08591	22.8
120.08988	1.7
121.10139	23.3
123.08072	8.8
123.11748	7.2
129.07007	2.5
131.08563	11.3
133.10141	16.1
135.08055	5.4
135.11699	12.8
137.13297	3.0
142.07793	2.8
143.08580	8.3
144.09372	2.4
145.10144	16.0
147.11691	15.5
149.13264	7.2
151.07553	100.0
151.14851	2.6
152.07874	2.6
155.08562	3.0
156.09264	2.2
157.10121	12.0
159.11700	19.1
161.13257	12.2
163.14824	6.8
165.09100	5.2
169.10107	4.1
170.10632	1.9
171.11710	12.7
173.09612	2.8
173.13293	11.4
173.18916	1.4
175.14803	7.7
177.09120	7.4
181.10085	2.7
183.11664	5.1
184.07336	5.8
185.13329	9.8
186.13669	2.0
187.14795	10.6
189.09093	9.1
189.16411	4.2
191.10681	37.2
195.11728	2.8
197.13242	5.6
199.14836	6.7
201.16386	5.6
203.10701	4.3
203.17934	2.1
205.12292	12.5
209.13287	3.4
211.14816	6.4
213.16411	5.1
215.10669	3.2
215.17874	3.0
217.12234	6.3
219.13782	7.0
221.13298	1.6
225.16425	4.2
227.17909	4.2
229.12152	3.0
229.19696	1.8
231.13800	2.2
239.17978	2.6
241.19493	3.2
253.19688	2.4
255.21176	2.2
257.15256	2.1
262.06528	1.7
265.19522	1.8
267.21051	2.2
269.22675	3.3
279.21121	1.8
281.22610	1.9
297.18445	1.7
323.27420	2.4
353.66913	1.9
393.28024	1.9
417.94141	1.7
421.31091	2.5
471.39682	2.6
539.45892	2.3
573.48950	9.5
615.44019	2.1
637.10455	1.6
745.46057	2.0
745.59320	34.4
746.58417	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75553	1.6
53.03951	2.1
55.05505	10.7
57.07064	5.3
65.03921	2.1
66.73376	1.6
67.05508	24.3
69.07072	16.4
69.43943	1.7
71.08610	2.4
71.50494	1.9
79.05492	14.0
81.07057	48.7
83.08621	6.0
91.05479	16.5
93.07050	29.9
95.04987	2.0
95.08611	41.9
97.10159	5.0
98.98433	2.6
103.05478	1.8
105.07037	30.3
107.08600	32.1
109.10155	26.6
117.07004	4.8
119.08588	24.5
121.10145	24.3
123.08075	11.5
123.11693	12.1
128.06197	2.5
129.06999	3.2
131.08594	12.8
133.10146	18.2
135.08052	6.9
135.11716	16.9
137.05928	1.5
137.13255	5.1
142.07727	2.6
143.08553	7.6
145.10126	16.0
147.11694	14.4
149.13260	8.8
151.07547	100.0
155.01169	1.8
155.08536	2.1
156.09366	4.0
157.10149	12.9
159.11713	19.0
161.13284	8.3
163.11166	3.4
163.14793	6.0
165.09137	8.6
169.10159	5.4
171.11690	9.4
173.13266	13.8
175.14832	9.7
176.08307	3.0
177.09155	2.6
177.16351	5.6
181.10184	3.5
183.11694	5.6
184.07321	3.7
185.13203	10.3
187.14873	8.2
189.09087	7.3
189.16411	4.8
190.09579	2.2
191.10681	57.3
191.17865	2.1
197.13333	4.0
199.14801	7.4
201.16385	7.5
202.09850	2.0
203.10667	7.8
203.17863	2.7
205.12257	13.8
209.13295	3.2
211.14725	2.2
213.16393	5.9
215.10600	2.3
215.17963	5.2
217.12425	3.2
217.19595	2.6
219.13792	5.0
223.14857	2.4
227.17946	4.8
229.19547	2.8
231.21121	2.3
235.14763	1.9
239.17976	2.7
241.19490	3.9
243.21028	2.9
253.19676	2.0
255.21036	3.1
267.21149	2.5
269.22720	2.9
283.24115	1.8
323.27606	2.8
337.28174	2.3
377.31665	2.3
539.46033	2.9
573.48553	15.7
633.45288	3.2
745.45264	3.3
745.59064	38.9
746.59772	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01877	0.7
55.05512	1.9
57.03449	2.1
60.08167	0.8
61.02931	5.3
67.05517	5.0
69.03442	3.0
69.07068	1.5
69.22348	3.4
71.04995	0.7
73.02930	3.4
74.87244	0.4
79.05497	3.3
81.03439	2.4
81.07063	5.5
83.08625	1.2
85.02914	4.9
86.09713	3.6
87.10061	0.5
91.03970	2.3
91.05505	1.8
93.07047	4.9
95.05032	0.5
95.08619	5.0
97.02899	4.6
99.04462	0.9
101.02394	1.7
103.03907	0.4
105.07070	1.1
107.08582	2.5
109.02894	0.8
109.10165	0.9
115.03944	0.4
117.07035	0.9
119.08601	1.2
121.10173	1.5
125.00029	2.8
127.03939	1.1
131.08582	0.8
133.10176	0.9
135.11691	2.1
145.10146	1.7
149.13214	0.4
163.11214	1.7
184.07376	13.0
184.09021	0.6
185.07736	1.6
227.12856	1.2
243.08521	1.7
249.11009	10.0
249.13371	0.6
305.13559	1.0
335.25864	0.9
336.26535	0.4
467.19080	3.8
519.29315	7.7
548.39728	0.9
745.41321	100.0
746.41791	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	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01877	2.6
55.05276	1.8
55.05516	23.8
57.03444	17.7
57.07066	3.5
59.05000	1.7
60.08149	1.3
61.02909	3.7
65.03936	3.2
67.05510	64.2
69.03427	4.1
69.07076	25.4
71.04986	4.6
73.02909	1.6
79.05500	32.1
81.02946	1.5
81.03427	51.9
81.07063	60.5
83.04997	15.8
83.08626	31.6
85.02909	22.1
85.06544	2.5
86.09698	3.2
91.03980	1.8
91.05486	34.4
93.07053	22.0
95.04964	23.1
95.08614	40.9
97.02899	3.7
97.06538	6.4
97.10165	8.1
99.04466	1.6
99.08073	1.9
105.04531	1.2
105.07047	25.4
107.04976	6.7
107.08605	15.2
109.06554	5.7
109.10165	18.7
111.04440	2.9
111.08098	8.7
113.06000	1.6
115.05403	1.7
117.07007	2.1
119.08586	20.0
121.06570	1.5
121.10147	12.1
123.08103	3.4
123.11735	7.6
125.00039	1.7
125.09632	3.9
129.07040	8.2
131.08580	13.3
133.06564	2.2
133.10150	16.6
135.11687	4.7
137.09610	2.9
137.13313	1.9
142.07779	3.4
145.10057	1.5
147.08060	4.3
147.11699	13.4
149.09628	4.8
149.13263	2.1
151.11137	1.4
151.14821	1.6
157.10136	13.7
161.13277	4.1
163.11198	1.2
163.14786	1.5
163.80127	1.2
165.12756	3.7
175.11198	16.2
177.78851	1.1
184.07372	8.2
193.10439	1.9
193.12267	46.6
211.13303	66.3
263.23776	3.6
267.16003	15.9
285.16986	73.9
327.75916	1.4
335.25769	2.8
337.27396	73.5
338.27713	2.2
343.85596	1.2
455.35251	1.3
489.35757	4.7
529.38977	13.2
547.39960	100.0
548.40155	5.6
740.95148	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01873	2.0
55.05518	16.0
57.03442	7.1
57.07075	2.6
59.04993	2.5
60.08146	1.3
61.02936	2.5
65.03940	3.3
67.05508	88.8
69.03394	1.4
69.07075	14.2
70.75092	3.1
71.04998	18.6
71.08614	1.8
79.05500	31.9
81.03424	2.3
81.07065	38.1
83.04967	4.6
83.08243	0.9
83.08628	8.4
85.02901	3.8
85.06522	3.0
86.09722	3.9
91.05494	23.1
93.06488	2.3
93.07052	38.4
95.04972	4.4
95.08613	24.4
97.06538	5.1
97.10159	2.0
99.08047	1.6
105.07033	9.7
107.08599	18.2
109.06551	2.3
109.10167	58.4
111.08073	2.8
117.07028	5.5
119.08598	15.0
121.10139	13.3
123.11728	1.6
125.00003	3.9
131.08601	5.9
133.10158	8.1
135.11737	13.2
137.09642	8.3
139.11208	1.9
145.10176	7.0
147.11697	3.7
149.09708	1.6
149.13271	3.1
152.78682	1.3
155.10672	5.3
159.11691	3.9
161.13261	2.7
163.11177	3.8
169.12262	1.3
173.11745	6.1
173.13287	3.4
175.14830	1.5
181.12268	2.6
184.07375	14.5
187.14812	1.3
208.39687	1.1
213.14803	1.7
243.15840	1.8
243.21030	1.6
255.15939	4.5
261.22180	3.8
285.17038	2.4
287.18500	17.5
290.56784	1.2
335.25851	28.2
337.27328	2.1
471.34763	3.3
489.35779	100.0
490.36270	5.2
503.37198	4.0
515.37592	9.8
533.38660	1.7
547.39990	73.0
548.40417	5.6
744.43250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01866	2.9
55.05513	20.2
57.03445	11.3
57.07069	4.4
59.04999	1.0
61.02909	2.8
65.03923	2.0
67.05508	51.4
69.03423	3.0
69.07072	20.0
69.47187	6.4
71.04986	4.1
74.09692	1.4
79.05495	24.2
79.25230	1.0
81.02940	1.5
81.03420	33.5
81.07058	53.5
82.07381	2.5
83.04984	10.5
83.08149	1.7
83.08619	20.0
85.02904	15.3
85.06537	2.6
91.03967	1.9
91.05485	28.3
92.35826	1.1
93.06485	2.0
93.07041	21.9
94.07390	1.6
95.04970	15.2
95.08607	36.0
97.02898	4.7
97.06532	3.6
97.10159	5.4
99.08087	1.2
105.07040	15.7
107.04948	4.5
107.08593	10.1
109.06509	2.0
109.10158	12.4
111.08092	5.5
111.11739	1.7
113.05991	1.6
115.05489	1.2
117.07023	2.0
119.08588	14.9
121.06505	1.3
121.10150	10.7
123.08058	1.8
123.11710	6.0
125.09610	1.5
129.07016	5.7
131.08562	6.6
133.06439	1.5
133.10143	10.7
135.11678	3.3
137.09581	2.4
137.13268	2.1
142.07755	1.0
145.10124	2.6
147.08073	2.1
147.11671	12.4
149.09612	2.6
149.13274	1.2
157.10117	9.7
161.13261	2.3
163.11053	1.2
163.14760	1.0
165.12746	2.2
175.11201	7.3
175.14870	1.5
184.07352	3.7
193.12241	25.5
211.11366	2.0
211.13297	34.2
243.08437	1.0
245.22681	1.6
254.02695	1.0
263.23526	2.7
267.15961	11.0
285.16989	44.2
286.17264	2.5
307.02747	1.2
335.25620	5.3
336.26129	3.6
337.27368	79.2
338.27557	2.4
373.00241	1.1
399.71579	1.2
407.89432	1.2
455.34964	1.7
467.18634	1.3
489.35626	2.4
524.73621	1.1
529.38806	14.0
547.39941	100.0
548.40558	5.4
739.87500	1.2
745.41315	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01870	1.4
55.05272	1.2
55.05517	13.5
57.03437	7.2
57.07071	2.0
59.04998	3.2
61.02935	4.1
65.03931	3.9
67.05508	94.4
68.05829	0.9
69.03426	2.3
69.07071	13.5
70.63054	2.7
71.05000	21.2
73.02931	1.9
77.03920	0.8
79.05029	1.2
79.05499	35.6
81.03420	3.8
81.07063	41.2
83.05000	5.3
83.08617	7.6
85.02913	4.4
85.06535	3.5
86.09714	2.6
91.03942	1.4
91.05482	24.0
93.07051	41.7
95.04984	3.7
95.08614	32.2
97.02883	1.9
97.06556	4.0
97.10195	1.7
99.08086	2.2
105.04504	1.0
105.07040	13.8
105.22495	1.0
107.08599	20.9
109.06505	1.7
109.10165	60.6
110.10467	1.0
111.08067	3.7
113.09654	1.1
115.05492	0.9
117.07018	4.1
119.07769	0.6
119.08590	18.1
121.10151	17.9
121.10815	0.6
123.11726	2.8
125.00040	2.1
129.06940	1.3
131.08574	6.9
133.10135	6.9
135.11703	14.7
135.84846	1.0
137.09642	8.8
137.13245	1.3
139.11182	1.6
145.10159	7.0
147.11694	5.2
149.09677	1.0
149.13255	3.4
155.10677	3.7
157.10147	1.1
159.11684	3.4
161.13252	2.7
163.11217	4.3
163.14832	1.3
169.12254	1.2
171.11766	0.9
173.11748	5.8
173.13275	3.0
175.14819	1.0
181.12254	2.9
184.07355	7.8
185.13237	1.3
187.13332	1.5
187.14873	1.2
199.14877	0.9
211.13297	1.2
213.14891	3.2
225.16443	0.9
226.00774	0.9
243.15852	2.2
255.15950	5.6
261.22079	2.3
285.17151	1.5
287.18524	21.7
288.19067	1.0
299.23825	1.0
317.24890	1.2
335.25824	26.0
337.27353	2.3
379.29764	1.2
397.31027	2.0
415.32098	0.9
423.32639	1.7
471.34851	5.2
489.35800	100.0
490.35846	5.8
497.36209	1.5
503.37210	3.9
515.37286	12.9
547.39984	72.7
548.39966	4.1
745.41064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2035
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
53.03939	0.3
55.01877	0.3
55.05504	0.4
55.98944	0.2
57.03450	2.2
61.02915	0.6
61.03230	0.1
68.99797	0.4
69.03433	2.7
69.28040	1.4
71.01344	0.3
71.05003	8.0
73.02924	1.9
75.04488	0.4
81.03427	0.9
81.47987	0.2
83.04995	1.6
85.02914	13.5
87.04496	0.4
93.03478	0.2
95.04969	0.3
97.02906	3.8
98.20747	0.3
99.04472	0.3
101.06019	0.2
109.02854	0.5
111.00822	0.7
111.04451	1.0
115.03947	1.2
121.02876	0.8
123.04432	0.5
127.03075	0.2
127.03928	1.0
129.05487	3.4
133.04930	0.2
137.02359	2.3
137.03349	0.3
145.04990	0.5
147.06520	1.6
149.02342	0.4
153.01854	2.4
163.03912	0.6
165.01869	1.6
171.06531	0.3
173.05965	0.3
177.16948	0.2
179.03450	0.2
183.02899	0.4
191.03430	0.2
201.05518	1.3
219.06493	0.2
225.07512	1.1
229.04988	3.3
247.06038	0.6
257.04474	2.1
274.04791	0.6
275.05380	0.2
285.04007	0.9
303.05014	100.0
304.05383	2.2
315.04825	0.4
345.05951	0.9
369.06009	0.3
406.19568	0.2
435.09839	0.3
447.09601	0.3
465.10367	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92301	1.0
53.03941	1.8
55.01867	3.8
55.05515	18.9
57.03443	11.3
57.07064	3.9
61.02916	4.0
65.03944	3.2
67.05508	55.1
69.03417	3.5
69.07072	20.0
69.35582	9.2
71.04970	3.7
73.02905	1.7
79.05500	37.6
81.03431	8.3
81.07060	62.1
83.05000	7.0
83.08627	12.3
85.02905	4.6
85.06536	3.2
85.10140	1.5
91.05481	23.3
93.07050	47.0
95.04977	11.6
95.08613	58.2
97.02869	3.3
97.06544	5.9
97.10158	5.1
98.20831	2.6
99.04433	3.4
103.05441	1.4
105.07037	19.5
107.04978	5.9
107.07893	1.9
107.08605	32.5
109.02868	1.2
109.06499	4.7
109.10165	12.8
110.10471	1.2
111.04485	1.2
111.08058	2.0
113.99680	1.2
117.07038	8.9
119.08584	16.1
121.06493	4.3
121.10149	18.1
123.08078	2.3
123.11668	5.6
125.05968	1.5
129.06978	3.5
130.07758	1.5
131.08588	5.9
133.10110	11.3
135.10724	2.3
135.11702	38.1
137.13226	1.7
137.63869	1.2
139.11128	1.3
145.10127	22.5
147.11707	7.4
149.09576	1.2
149.13202	3.5
151.11180	2.2
153.12688	2.1
157.10152	2.5
159.11716	2.1
161.13234	2.2
163.11183	44.6
163.14728	2.0
165.12759	1.2
173.13281	1.2
175.11180	2.5
175.14821	2.5
175.83327	1.2
176.88693	1.3
181.12230	6.1
189.16318	1.3
193.12225	5.6
209.11821	2.6
211.13254	3.1
225.16263	1.2
227.12798	54.2
227.20131	1.8
243.21036	1.4
261.22092	2.9
263.23636	1.4
267.15826	6.6
283.15405	81.5
284.15738	1.8
285.16946	23.4
335.21628	1.3
335.25803	31.9
337.27402	71.2
338.27689	1.3
503.37317	3.8
527.37439	5.9
545.38385	100.0
546.38556	4.1
561.55804	1.6
575.49640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75874	0.8
53.03940	3.9
54.93315	0.8
55.01866	1.4
55.05510	15.4
57.03200	1.0
57.03439	11.0
61.02924	2.2
64.22158	1.0
65.03934	1.7
65.71231	0.9
67.05509	34.2
69.03416	3.2
69.07064	9.1
69.24467	2.4
69.24888	6.8
71.04986	3.0
73.02920	0.9
79.05497	26.8
81.03425	41.5
81.07061	33.7
83.04993	10.8
83.08160	1.3
83.08622	18.4
85.02907	14.0
85.06525	1.3
91.05483	25.3
91.60580	0.9
93.07040	25.1
95.04979	18.9
95.08612	21.9
97.02869	3.7
97.06529	2.8
97.10169	3.3
105.07030	16.6
107.04976	4.5
107.08607	13.0
109.06513	3.5
109.10173	9.4
111.04443	1.6
111.08074	6.6
113.05984	1.5
115.05438	1.4
117.07015	2.6
119.08585	15.5
121.06467	1.2
121.10138	13.3
123.08057	2.3
123.11693	3.8
125.09550	1.3
129.06993	6.7
131.08548	8.0
133.06493	1.1
133.10144	9.8
135.11684	4.9
142.07700	2.2
145.10115	4.1
147.08069	2.2
147.11705	10.8
149.09608	3.2
149.13301	2.3
151.11151	1.0
157.10132	9.3
159.11688	1.8
161.13200	1.2
165.12758	2.0
173.13249	1.8
175.11209	10.2
184.07320	2.3
185.13318	1.2
193.12259	31.5
197.05663	0.9
211.13293	54.0
243.21086	2.1
261.22095	6.1
267.15869	9.0
285.16977	44.0
286.17300	1.3
299.93591	1.0
317.24854	1.9
335.25830	46.5
336.26239	2.9
428.56674	1.0
435.32278	1.2
471.35065	1.4
527.37445	7.4
537.29205	1.1
545.38391	100.0
546.38562	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.05520	15.8
57.03448	14.3
58.18758	1.9
61.02940	5.4
67.05513	54.7
69.03449	4.4
69.07077	11.7
69.50379	15.6
79.05494	35.3
81.03424	39.6
81.06598	3.6
81.07060	52.8
83.04993	14.8
83.08617	20.6
85.02914	18.9
85.06547	4.2
91.05479	34.5
93.07050	45.0
95.04986	20.9
95.08613	35.9
97.02907	3.9
97.06540	5.4
97.10182	3.4
98.20745	3.4
105.04576	1.9
105.07043	28.7
107.04964	6.1
107.08615	18.8
109.06528	3.2
109.10167	14.7
111.04425	2.9
111.08088	7.5
117.07051	3.9
119.08604	17.4
121.10151	18.3
123.08044	2.7
123.11697	2.4
129.07011	11.2
131.08592	13.1
133.06432	2.3
133.10150	13.6
135.11723	8.3
145.10136	5.5
147.08105	3.1
147.11711	12.0
149.09595	6.2
149.13277	4.9
157.10168	10.0
159.11697	4.9
161.13271	4.9
173.13268	3.5
175.11229	9.0
193.12279	33.0
211.13309	48.6
243.20987	3.4
261.22131	10.8
267.15933	17.2
285.16983	55.7
335.25824	83.8
336.26086	2.4
337.17004	2.4
424.59402	2.6
527.37433	16.9
545.38416	100.0
546.38678	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	742.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13605	1.5
53.03934	4.6
55.01862	4.6
55.05512	15.4
57.03444	10.8
65.03921	2.0
67.05507	19.6
69.03423	6.6
69.07063	6.5
71.04988	6.1
71.50042	2.2
74.09742	1.8
79.05501	26.7
81.03423	55.2
81.07059	20.8
83.05000	7.4
83.08628	15.6
85.02921	2.7
85.06575	2.0
89.29108	1.7
91.05485	19.7
93.07035	18.3
95.04984	25.1
95.08619	11.1
97.02888	3.4
97.06564	4.1
97.10188	17.5
103.05458	3.4
105.07038	16.7
107.04964	17.8
107.08585	14.6
109.06524	16.3
109.10151	5.6
111.04422	2.0
111.08091	6.5
115.05405	1.9
117.07018	5.0
119.08585	13.3
121.06525	15.4
121.10126	11.3
123.04469	3.6
123.08076	4.9
125.06010	2.5
125.09644	14.7
129.07063	9.2
131.04904	4.0
131.08568	14.0
133.06488	4.8
133.10104	7.1
135.08084	8.0
137.05980	4.4
137.09616	2.4
139.11232	2.2
141.90755	1.9
143.08536	3.6
145.06511	6.6
145.10153	9.0
147.04359	3.0
147.08076	6.5
147.11668	7.9
149.06029	1.8
149.09610	5.4
152.07974	1.5
153.12785	1.9
155.08478	2.0
155.29588	1.7
157.10132	5.5
159.08011	1.8
161.06010	1.8
161.09657	2.4
163.11203	5.8
165.12711	2.4
167.07085	4.0
169.10210	2.9
171.08151	1.5
171.11603	2.8
173.13315	3.2
175.11212	7.3
177.05461	1.8
177.12776	1.5
181.05011	2.2
187.11168	1.5
189.11241	4.3
189.12764	2.6
191.14328	3.5
193.12241	15.5
195.11746	1.9
201.12750	2.5
205.12282	2.0
213.12794	2.5
215.14172	1.8
219.13757	10.5
223.13226	2.7
232.92241	1.7
233.15407	3.2
237.12549	2.0
259.15378	10.0
267.15952	42.3
273.14828	5.0
287.16376	2.0
293.17603	8.5
339.23224	2.7
349.21686	5.1
367.22644	13.7
385.23764	20.9
403.24976	8.2
441.26419	7.7
451.26791	4.2
459.27444	100.0
460.27856	3.8
477.28531	96.3
478.28641	4.4
480.73752	1.6
491.29987	9.9
495.29517	7.4
501.28351	2.9
567.29498	2.5
743.24347	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01873	1.5
55.05516	12.5
57.03445	8.7
57.07063	0.9
59.24429	0.8
61.02940	1.4
65.03932	1.4
65.90199	0.8
67.05509	28.8
67.40290	0.8
67.74146	0.9
69.03441	3.2
69.07066	8.9
71.05002	2.0
74.82652	0.7
79.05499	24.9
81.03424	28.2
81.07061	30.5
83.04978	5.8
83.08623	11.6
85.02909	11.5
86.71341	0.9
91.04908	1.2
91.05488	17.4
93.06487	1.6
93.07053	24.8
95.04976	14.0
95.08618	21.0
97.02927	2.0
97.06548	1.6
97.10159	2.2
105.07032	12.4
107.04936	2.8
107.08599	11.3
109.06523	2.3
109.10162	8.8
111.04465	1.3
111.08082	4.7
113.06055	0.8
115.05476	1.0
117.07021	2.7
119.08585	11.3
121.10149	12.5
123.08012	1.3
123.11708	2.9
129.07018	4.5
131.08582	8.0
133.10173	5.5
135.11670	4.4
137.09657	1.0
145.10133	3.1
147.08102	0.9
147.11711	6.8
149.09642	3.1
149.13297	1.7
157.10168	6.9
159.11746	1.9
161.13342	1.5
163.11127	1.0
165.12750	1.3
173.13310	1.6
175.11223	6.6
185.13171	1.0
193.12248	21.0
201.16350	1.0
211.13301	32.1
227.12833	1.0
243.21054	1.5
246.51910	0.8
261.22116	6.3
267.15894	7.6
283.15445	0.9
285.16983	32.2
317.24872	1.6
335.25839	60.4
336.26114	3.7
337.26456	1.0
420.57974	0.9
435.32529	1.4
453.33517	1.7
527.37518	6.2
545.38403	100.0
546.38971	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	741.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.5
53.65705	2.3
55.01875	3.6
55.05517	34.9
55.37639	2.2
57.03442	5.9
57.07079	12.5
64.33452	2.6
67.05188	2.6
67.05511	33.9
69.07072	34.9
70.80791	5.5
71.08631	8.6
79.05487	22.5
81.03426	2.6
81.07062	35.0
83.08627	24.1
85.10196	2.9
91.05482	29.8
93.07053	26.0
95.04967	5.4
95.08613	27.8
97.06536	3.9
97.10184	14.9
98.98468	7.0
99.20366	2.4
105.07043	31.9
107.08599	17.7
109.06544	3.0
109.10161	10.1
111.11723	4.8
113.00037	4.2
115.36832	2.4
117.07014	14.3
119.08598	23.9
121.10144	12.0
123.11646	3.0
129.07008	7.5
131.08574	19.3
133.10117	15.9
135.08049	2.9
135.11691	8.7
143.08585	5.8
145.10146	19.2
147.11676	17.3
147.21985	2.2
149.09610	2.1
149.13289	6.3
155.00967	2.6
157.10139	6.0
159.11646	11.0
161.13266	14.2
163.11195	2.3
171.11696	9.3
173.13274	10.5
175.11206	2.4
175.14839	9.1
185.13300	5.7
187.14752	3.4
192.50749	2.4
199.14781	3.4
215.17873	2.3
217.19601	5.4
231.21083	4.2
239.17876	5.3
241.19485	23.2
257.19073	3.7
259.20566	11.1
273.18472	3.7
275.19980	4.8
291.19501	3.6
308.29587	5.5
309.29904	5.2
311.25833	47.1
313.21664	13.9
313.27359	6.0
315.23257	10.7
321.80426	2.4
331.22580	3.3
331.26184	2.6
333.24472	5.6
351.91083	2.3
365.26483	2.9
495.41849	3.3
534.42584	3.5
569.45660	100.0
570.45764	7.3
611.46521	4.9
615.49066	4.1
629.47620	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	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01876	10.8
55.05513	25.9
57.03439	19.3
57.07092	2.1
60.08153	4.6
61.02928	8.2
65.03939	2.0
67.05509	52.4
69.03429	4.0
69.06750	1.7
69.07072	13.4
69.58057	1.6
69.81382	9.6
71.01358	1.7
71.05000	3.8
71.07362	3.4
73.02924	2.3
75.21539	1.5
79.05501	46.4
81.03428	13.9
81.06609	2.9
81.07061	50.8
83.01337	11.7
83.04997	12.0
83.08618	18.4
85.02912	9.1
85.06532	2.3
86.09713	27.0
87.10026	5.1
87.66635	1.5
91.05488	26.0
93.07047	57.4
95.04955	7.2
95.08616	37.7
97.02892	4.6
97.06530	6.4
97.10164	5.1
98.98463	2.1
99.04442	2.8
104.10731	1.9
105.07037	19.7
107.04971	8.2
107.08607	31.8
109.06525	5.7
109.10172	15.9
111.04466	2.1
111.08082	3.6
117.07034	12.5
119.08593	15.6
121.06480	2.3
121.10149	21.2
123.08076	9.6
123.11691	4.8
125.00023	15.8
125.05968	1.6
125.09621	2.5
127.00364	3.0
127.67013	1.6
129.07004	1.8
131.08595	13.8
133.10132	9.9
135.08066	2.3
135.11696	20.2
137.13206	1.7
145.10133	21.4
147.11703	3.3
149.13266	3.9
153.12759	3.4
155.08623	2.5
159.11671	4.8
161.13206	3.1
163.11203	21.9
163.14806	2.7
173.09599	3.2
173.13272	3.1
179.36829	1.7
181.12227	4.3
184.07343	66.7
185.07750	16.3
186.07834	11.2
187.14865	3.6
191.10657	4.8
193.12178	1.6
209.11714	6.5
220.71664	1.8
227.12833	9.1
243.21031	4.3
261.22159	13.9
267.15958	2.7
283.15424	100.0
284.15500	2.3
299.23718	3.5
317.24780	4.6
331.28500	1.7
335.25818	69.4
336.26010	2.6
469.32956	2.6
525.35663	2.7
543.36804	40.6
544.36676	2.1
561.37769	2.5
690.45825	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	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01867	3.7
55.05273	1.3
55.05516	16.4
57.03436	10.9
57.07073	2.0
57.47716	1.0
61.02915	1.2
65.03935	1.6
67.05508	45.5
69.03413	1.1
69.07069	13.2
69.25713	7.6
71.04988	4.4
73.02928	1.8
77.03909	1.0
79.05031	1.8
79.05497	43.8
81.03413	2.7
81.07059	51.7
83.04990	4.5
83.08618	12.2
85.02905	1.4
85.06565	1.5
91.04922	1.3
91.05484	18.5
93.06431	1.0
93.07049	65.2
95.04981	7.3
95.08611	66.6
97.02888	5.0
97.06530	5.4
97.10198	2.9
99.04440	5.0
104.77057	0.9
105.07042	15.3
107.04962	9.8
107.08597	42.1
109.06525	3.7
109.10171	11.8
111.04459	2.1
111.08080	2.1
114.21817	0.9
117.07014	11.0
119.08582	18.1
121.06519	6.2
121.10147	25.1
123.08121	1.3
123.11707	3.7
125.05990	2.7
130.07784	2.0
131.08542	5.9
133.10141	6.6
135.08066	2.6
135.11697	63.7
136.12054	1.0
139.07530	1.5
143.08542	1.9
145.10130	37.2
147.11685	1.9
148.86981	0.9
149.13274	3.8
153.12746	1.8
155.08549	1.1
159.11702	2.9
161.13283	1.6
163.11191	72.9
163.14828	2.5
164.11528	1.4
164.52071	1.1
173.13326	1.7
181.12242	11.2
201.88113	0.9
209.11758	3.4
217.10551	0.9
227.12785	83.7
228.13042	2.4
243.21060	2.5
261.22205	10.2
283.15405	100.0
284.15820	2.1
317.24872	2.1
321.95178	1.1
335.25809	94.0
336.26172	3.5
543.36859	81.3
544.37048	4.5
578.84387	1.0
728.68365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61391	1.1
53.03944	3.7
55.01875	10.2
55.05517	31.4
57.03441	20.9
57.07076	4.4
59.05003	3.0
61.02937	7.8
65.03947	4.0
67.05511	69.0
69.03433	3.3
69.03785	1.0
69.07077	14.5
69.17048	9.4
71.01370	1.3
71.05013	5.1
73.02899	2.4
75.25038	0.9
79.05501	56.8
81.03426	12.8
81.07062	68.6
83.01351	9.6
83.04987	13.4
83.08620	17.8
85.02910	9.1
85.06543	1.8
91.03964	4.0
91.05487	35.0
91.06027	2.0
93.07053	66.7
94.76610	1.0
95.04965	9.9
95.08615	50.6
97.02895	6.4
97.06539	5.1
97.10175	5.3
98.20798	1.6
99.04458	2.2
99.08085	1.5
105.04537	1.5
105.07036	25.8
107.04973	8.5
107.07876	2.3
107.08601	38.8
109.02844	1.4
109.06521	8.4
109.09479	1.5
109.10171	21.2
111.04433	3.0
111.08076	2.8
115.05496	1.0
117.07037	13.4
119.08595	17.2
121.06499	4.0
121.10152	28.9
123.08080	9.6
123.11703	5.7
125.06055	1.7
125.09630	3.6
129.06985	2.2
130.07805	1.6
131.08582	15.0
133.10126	13.5
135.08061	2.6
135.11697	25.8
137.09616	4.0
143.08580	2.4
145.06561	0.9
145.10133	21.7
147.08040	1.7
147.11639	5.9
149.13248	7.3
153.10213	1.0
153.12730	3.6
155.08580	2.0
157.10135	1.4
159.11726	8.0
161.13297	4.0
163.11189	27.7
163.14830	3.7
169.10083	1.2
173.09677	3.1
173.13287	7.9
175.14848	2.1
181.12241	3.9
184.07381	1.2
185.13354	1.2
187.14827	2.5
189.11224	2.1
191.10667	2.8
195.00105	1.1
209.11777	9.2
227.12790	10.3
243.21115	7.1
259.20624	2.0
261.22180	19.3
277.21790	1.1
283.15414	98.0
284.15854	2.2
299.23727	5.0
317.24808	5.6
333.24182	1.4
335.25821	100.0
336.26093	4.2
451.32300	3.2
469.33359	1.4
525.35577	3.1
543.36865	70.1
544.37225	5.1
561.37732	3.0
598.70593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01874	2.9
55.05513	12.3
57.03441	8.5
57.07043	1.5
61.02897	1.2
65.03898	1.9
67.05508	41.9
67.05842	1.5
69.03397	2.0
69.07073	10.6
69.50560	2.0
69.50970	1.6
71.05007	2.8
73.02913	0.7
75.85317	0.5
77.03880	1.0
79.05496	36.1
80.05769	0.7
81.03384	2.0
81.07060	37.9
82.07381	0.7
83.05001	3.4
83.08625	7.4
85.02850	1.1
85.06516	0.9
91.05480	15.5
92.48116	0.6
93.07048	46.7
95.04978	5.0
95.08612	45.7
97.02885	3.3
97.06541	3.1
97.10123	1.8
99.04406	2.5
99.08055	0.9
103.05412	0.7
105.04482	1.5
105.07037	10.8
107.04946	5.1
107.08596	29.3
109.06459	2.3
109.09499	0.8
109.10161	12.1
111.04432	1.1
111.08036	1.7
117.07032	7.8
119.08580	12.6
120.71490	0.7
121.06460	2.5
121.10148	17.8
123.08038	0.8
123.11676	2.6
125.05952	2.0
130.07753	1.5
131.08562	4.5
133.10146	4.6
134.26817	0.6
135.08023	1.0
135.11696	38.9
137.09555	0.7
137.13144	1.0
139.07498	1.7
145.10133	20.9
147.11656	1.5
149.13286	3.2
159.11661	2.1
161.13260	1.8
163.11188	40.6
163.14758	1.6
164.11476	0.7
173.13252	1.8
175.14783	0.6
181.12219	8.2
184.07338	1.4
187.14853	0.9
190.22293	0.5
209.11775	2.3
227.12796	49.4
232.75479	0.6
243.21046	2.2
261.22098	5.8
283.15399	48.0
284.15866	0.8
317.24686	2.7
335.25812	100.0
336.26105	3.6
543.36841	74.3
543.78772	0.6
544.36969	3.4
567.60956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56832	1.2
53.03944	2.5
55.01866	1.4
55.05322	1.0
55.05518	12.2
57.03441	2.6
57.07055	2.1
65.03955	3.4
67.05509	49.4
69.07068	14.1
69.81018	1.0
71.05023	1.5
71.05434	2.4
71.08641	1.4
75.15145	0.9
79.05498	27.5
79.52669	1.0
81.07059	45.5
83.04962	1.4
83.08605	6.5
91.05484	15.5
93.07053	27.3
95.04989	3.2
95.08610	29.5
97.10178	2.9
98.06039	5.8
105.04562	1.1
105.07044	9.4
107.08588	12.8
109.10177	9.7
109.62428	1.3
117.07002	2.3
119.08576	6.4
121.10147	9.9
123.11730	4.3
125.09598	1.4
131.08594	3.1
133.10135	4.9
135.11714	3.9
137.09547	1.2
137.13301	1.2
145.10100	2.0
147.11670	2.0
149.13298	1.5
161.13330	2.1
163.14859	1.5
166.89149	1.1
175.14853	1.1
263.23706	1.5
285.85880	1.1
304.26343	25.1
306.27933	25.3
335.25757	8.5
337.27408	10.0
597.48792	100.0
598.48877	3.8
612.47125	1.2
626.44452	3.0
627.46167	2.6
739.45288	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	1.0
57.07060	0.2
58.06635	0.5
59.07393	0.2
60.08171	5.7
62.24176	0.1
67.05507	0.2
69.17274	1.6
71.07380	3.2
81.03412	0.3
81.07033	0.2
86.09714	29.4
87.10051	0.2
98.98476	3.1
101.78809	0.2
104.10748	2.0
125.00016	19.5
126.00371	0.1
167.59259	0.2
184.07356	100.0
185.07732	0.8
255.71188	0.2
272.32861	0.2
284.99362	0.2
352.79672	0.2
394.20224	0.2
496.33926	0.3
688.45532	6.8
689.45313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.6
55.01855	6.7
55.05283	2.6
55.05515	31.4
57.03428	9.7
57.07086	2.4
61.02929	19.6
65.03902	2.2
67.05512	56.8
67.05878	2.9
67.56751	2.6
69.03436	14.5
69.07076	17.6
71.04984	11.4
71.50569	3.0
73.02931	12.5
77.03898	2.0
79.05494	36.5
81.03418	20.0
81.06598	2.9
81.07063	49.7
83.04972	7.0
83.08614	14.0
85.02903	18.3
85.06536	4.9
87.04491	3.1
90.27395	2.1
91.03949	9.5
91.05491	43.8
93.07047	44.3
93.65140	2.4
95.04954	8.0
95.08614	37.0
97.02888	17.0
97.06516	4.6
97.10172	16.4
99.04462	2.4
99.08113	4.3
101.02366	2.9
102.71256	2.1
105.06384	3.9
105.07041	36.4
107.04959	2.9
107.08610	25.6
109.02865	3.6
109.06538	6.3
109.10167	18.8
111.04498	3.8
111.08073	6.1
115.05451	3.4
117.07026	21.3
119.08600	27.5
121.06481	6.1
121.10161	16.1
123.08065	8.0
123.11674	4.9
125.09659	13.4
127.03939	4.7
128.06194	5.9
129.07031	17.1
131.08597	25.9
133.06500	4.1
133.10133	19.5
135.08025	7.0
135.11685	9.0
137.09586	3.2
141.06963	8.2
142.07771	5.1
143.08562	18.9
144.09384	2.3
145.06429	3.2
145.10144	24.2
147.08047	4.3
147.11696	13.1
149.09612	3.9
151.11201	2.2
153.06992	2.2
154.07854	2.6
155.08577	14.4
156.09285	2.8
157.10121	21.1
159.08044	3.9
159.11700	20.9
161.09662	4.9
161.13275	5.2
163.11191	6.2
165.12814	4.1
167.08566	6.0
168.09317	2.5
169.10112	13.0
171.08061	2.6
171.11710	17.1
173.09595	4.4
173.13287	15.4
175.11234	4.1
175.14845	3.5
181.10095	10.2
183.11732	14.2
185.13213	14.6
187.14818	6.3
189.11211	6.7
193.10027	3.0
193.12224	3.2
195.11665	8.6
197.13234	12.1
199.11128	3.1
199.14828	4.5
201.12936	2.7
207.11696	4.6
209.13245	7.5
209.59171	2.2
211.14940	5.2
221.13152	3.7
223.14835	4.4
227.12801	12.3
235.14890	4.4
259.20602	4.2
271.16809	2.5
273.18515	4.4
275.20120	3.1
283.20578	4.3
285.22177	3.4
291.19559	8.7
297.22159	4.8
299.20609	2.6
299.23672	11.8
301.21564	6.6
321.22086	4.6
351.23126	2.8
355.26437	3.8
365.23581	3.6
367.52325	2.3
415.30145	4.7
421.25897	2.6
433.25354	2.8
433.31042	17.6
443.27823	5.9
451.32330	16.7
469.32965	6.6
483.55896	2.5
499.33792	4.6
507.34756	11.1
517.35242	24.0
525.35767	74.5
526.36145	4.9
543.36853	100.0
544.37219	3.5
557.38745	20.0
575.39636	35.1
651.39526	3.0
679.40936	4.8
687.40625	4.1
719.39294	4.3
737.43506	7.0
769.44641	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	737.1713
Annotation	Xanthochymusside
Peak:m/z	Relative Intensity
68.99794	0.9
70.39952	1.6
81.03419	1.3
84.23078	0.5
109.88818	0.6
121.02857	0.6
123.04437	6.6
126.64045	0.6
127.03948	1.2
135.04437	1.6
137.02359	20.9
137.03439	2.3
139.03909	1.4
140.22968	0.6
163.03917	3.0
175.03937	1.1
176.59927	0.6
185.06042	0.8
187.03896	1.4
197.06009	0.7
201.05515	2.1
202.06294	1.8
203.03439	1.0
213.05551	2.6
217.05061	1.0
229.04976	11.3
230.05742	3.8
241.04994	1.8
245.04488	2.6
247.06100	3.0
251.03906	0.7
257.04459	32.5
258.05231	9.3
259.06107	1.0
269.04422	3.1
270.05359	1.7
271.05923	1.0
272.06888	1.5
283.06073	0.8
285.03983	5.0
287.05524	54.5
288.05972	1.3
295.06363	0.7
297.03735	0.7
299.05539	14.3
300.06183	6.6
301.06833	0.8
311.05487	0.6
329.06573	35.7
337.06931	0.9
339.04956	1.1
361.07010	7.1
363.05087	1.5
377.06665	1.7
391.08163	0.7
395.07684	1.8
405.06262	3.9
407.07687	3.1
421.09125	1.4
423.07129	23.3
431.07745	1.0
435.07047	9.7
437.08691	3.6
447.07471	0.8
449.08658	1.0
546.59753	0.6
557.10968	2.8
575.11877	100.0
576.12054	4.2
737.17267	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	736.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01875	1.5
55.05516	10.0
57.03438	2.3
57.07067	2.8
59.17557	1.0
65.03930	2.7
67.05508	32.9
69.07072	8.6
71.05009	1.3
71.50747	1.5
74.06080	1.6
74.09723	43.7
79.05498	32.1
81.06595	1.9
81.07063	30.8
83.05000	1.5
83.08613	3.5
91.05495	17.0
91.31345	1.0
93.06489	2.1
93.07048	30.9
95.04962	3.7
95.08615	21.8
97.06503	1.3
97.10197	1.8
98.06060	3.6
105.04544	1.1
105.07031	10.1
107.08605	14.0
109.10166	8.3
111.08071	1.3
117.07015	3.1
119.08598	6.7
121.10149	11.9
123.11707	2.0
131.08560	5.0
133.10112	5.0
135.11688	6.7
140.32231	1.0
145.10100	3.0
147.11674	2.4
149.13260	2.2
159.11717	2.6
161.13312	2.2
201.16673	1.1
243.21089	1.4
261.22171	3.1
263.16910	1.2
299.82458	1.0
304.26376	29.9
317.24689	2.6
335.25803	14.4
336.26169	1.4
367.53568	1.2
595.47235	100.0
596.47552	5.1
624.42383	1.3
625.44458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96644	0.2
55.05481	0.2
56.05034	0.8
57.07076	0.2
58.06610	0.4
60.08165	6.8
66.53616	0.1
67.05499	0.5
69.07101	0.1
69.25356	0.9
69.25765	0.3
70.80417	0.1
71.06989	0.2
71.07375	3.9
71.08639	0.2
79.05490	0.3
81.03396	0.2
81.07051	0.6
85.02888	0.1
86.09706	32.8
87.10017	0.3
91.05489	0.3
91.56953	0.2
93.06989	0.2
95.08602	0.4
98.98467	3.7
104.10742	2.2
105.07007	0.2
125.00005	23.0
133.10161	0.2
166.02829	0.2
184.07341	100.0
185.07681	0.6
258.71030	0.1
313.27405	0.3
734.49567	5.8
735.49567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.9
55.01877	4.3
55.05511	16.5
57.03424	5.4
57.07073	5.7
61.02924	5.5
65.03934	2.7
67.05508	34.6
67.41819	1.6
69.03436	23.5
69.07070	22.7
70.71738	5.6
71.04988	3.4
73.02915	5.8
74.60837	1.7
77.47179	2.0
79.05501	27.8
79.37822	1.7
81.03423	19.4
81.07063	100.0
83.08601	8.8
85.02917	46.6
87.00835	13.8
91.05482	29.3
93.07049	61.7
94.07313	1.8
95.04951	5.1
95.08614	80.6
97.02901	21.3
97.10179	3.5
98.31892	2.3
99.04459	7.9
105.01872	24.2
105.07043	56.4
107.08601	80.9
109.02878	23.1
109.10165	62.6
111.11724	3.0
117.07006	6.2
119.08593	63.9
121.10158	50.3
123.11710	21.3
127.03931	29.7
128.31366	2.4
131.08534	14.6
132.38928	1.6
133.10136	22.9
135.11703	29.8
137.13322	3.5
139.11142	2.1
145.04965	14.9
145.10120	22.4
147.11697	33.2
149.13271	35.9
157.10088	3.3
159.02924	8.6
159.11694	27.2
161.13271	29.9
163.14824	26.8
173.13319	12.4
175.14851	22.1
177.16388	13.0
187.14891	10.1
189.16386	12.3
191.17982	4.3
200.03029	1.8
201.16418	17.9
203.17989	11.0
215.17961	29.4
229.19533	4.2
231.05016	11.2
231.21138	2.7
249.06055	5.4
271.24225	48.2
287.05374	2.1
289.25256	6.3
400.07144	1.9
463.80460	2.2
586.89313	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
57.07086	0.1
58.06628	0.5
59.07415	0.2
60.08169	6.0
67.05506	0.3
69.07071	0.1
69.48933	0.6
69.49340	0.2
70.06606	0.2
71.07379	3.2
79.84302	0.1
80.97449	0.1
81.07056	0.2
86.09712	30.3
87.10033	0.2
89.06044	0.3
91.05488	0.2
95.08604	0.2
98.20831	0.2
98.98477	3.2
104.10749	2.4
107.95315	0.1
124.55077	0.1
125.00012	20.3
131.08569	0.1
135.11691	0.1
143.01070	0.2
184.07355	100.0
185.07710	0.7
355.64026	0.1
364.68588	0.1
468.23557	0.2
484.29648	0.1
712.63269	0.1
732.48157	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	732.5621
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
53.03960	2.0
54.38558	1.5
55.05509	12.2
56.05039	3.9
56.54620	1.5
56.94421	1.5
57.07063	5.0
59.04961	1.5
60.04529	67.8
67.05507	15.9
69.07064	14.4
70.06584	2.2
71.08636	3.3
72.04515	3.1
74.06068	1.9
79.05502	10.1
81.03410	4.5
81.07055	16.3
82.06564	2.8
83.08611	5.9
85.10166	1.7
86.06076	2.2
90.05563	3.8
91.05496	11.2
93.07053	11.2
94.06556	3.7
95.04969	3.3
95.08619	14.7
96.08103	2.0
97.10187	4.4
98.06081	1.5
98.20811	4.4
105.07036	7.1
107.08596	5.3
109.10183	2.5
111.11727	2.0
119.08617	7.7
121.10130	4.7
122.09728	2.3
123.11695	2.5
131.08582	1.8
133.10136	4.9
134.98181	3.9
135.11705	3.0
147.11678	3.8
180.25050	1.6
184.07487	3.9
184.84612	1.9
245.22676	3.6
250.25279	3.5
262.25311	31.5
263.23694	6.7
272.25757	6.0
280.26343	25.4
298.27444	9.1
314.26697	2.9
316.28699	2.1
392.43454	1.7
516.47552	3.2
534.48804	13.8
552.49872	100.0
553.49817	4.0
570.50946	30.4
620.46698	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	732.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05039	0.8
58.06624	0.5
59.07393	0.1
60.08167	6.6
67.05497	0.4
69.07079	0.2
69.88770	0.3
69.89164	0.2
70.06605	0.2
71.07378	4.1
79.05487	0.3
81.03397	0.2
81.07047	0.4
83.08630	0.2
85.02900	0.1
86.09710	33.0
89.06033	0.1
91.05493	0.2
93.07056	0.2
95.08629	0.6
98.20783	0.1
98.62728	0.1
98.98468	3.7
104.10751	2.3
107.08586	0.1
118.52319	0.1
125.00011	22.6
133.10178	0.2
161.47339	0.1
184.07349	100.0
185.07736	0.5
195.00446	0.1
522.35590	0.2
732.48138	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	731.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27585	0.3
53.03939	0.7
55.01870	0.5
55.05514	2.0
57.03433	1.8
57.07069	0.4
61.02925	5.2
65.03937	0.4
67.05505	5.7
69.03436	2.8
69.07075	1.9
71.01371	0.3
71.05029	0.6
71.08652	0.4
72.22523	0.3
73.02916	3.6
76.80795	0.4
79.05491	4.2
79.62765	0.3
81.03429	1.4
81.07061	6.8
83.04991	0.6
83.08623	0.9
85.02912	5.2
86.09731	0.7
87.04472	0.3
91.03965	3.5
91.05473	2.3
93.07039	4.3
95.04974	0.4
95.08610	3.4
97.02895	4.7
98.20753	0.9
99.04470	1.0
101.02374	1.9
103.03955	0.5
105.07043	1.3
107.08593	1.8
108.64863	0.3
109.02909	0.8
109.10192	1.4
111.08084	0.5
113.09627	0.4
117.07027	0.7
119.08613	0.7
121.10155	2.2
123.11721	0.5
125.00011	0.4
127.03919	0.9
131.08588	0.8
133.10146	0.7
135.11705	1.1
145.10170	0.7
147.11746	0.5
149.13278	1.4
157.26874	0.3
158.54248	0.3
159.11732	0.9
173.13283	0.5
184.07388	1.9
185.04233	0.6
188.40973	0.3
193.12308	0.6
203.05469	0.4
235.13116	0.9
243.08379	1.5
260.93665	0.4
284.15710	0.4
326.27966	0.4
335.25766	0.5
453.21082	3.5
471.45346	0.4
519.29260	8.6
533.38641	0.5
534.39093	0.6
683.28156	0.4
731.43414	100.0
732.43744	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	730.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64814	0.1
56.05035	0.7
58.06628	0.4
58.85646	0.1
59.07384	0.2
60.08166	6.6
66.39793	0.1
67.05507	0.4
69.07081	0.2
69.85093	0.3
70.06569	0.1
71.06988	0.2
71.07375	3.7
76.26328	0.1
79.05503	0.3
80.97435	0.1
81.03432	0.1
81.07049	0.4
84.15948	0.1
86.09708	31.6
87.10024	0.2
91.05479	0.2
93.07050	0.3
95.08605	0.3
98.98464	3.9
99.35399	0.1
104.10741	2.7
105.07006	0.2
107.08587	0.2
109.10220	0.2
113.73008	0.1
116.99484	0.1
121.10199	0.1
125.00008	21.6
143.01097	0.2
184.07344	100.0
185.07729	0.7
330.18570	0.1
335.26080	0.1
450.22803	0.2
520.34540	0.2
636.74957	0.1
730.46552	4.9
731.47083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1609
Annotation	Procyanidin B1 3-gallate
Peak:m/z	Relative Intensity
51.02374	0.9
55.01871	1.4
60.76436	0.4
67.05516	0.5
68.99791	2.5
69.95054	0.5
69.95329	2.1
72.91723	0.5
77.03905	0.7
79.01860	4.2
81.03421	0.7
81.56303	0.4
85.02853	0.5
91.05466	0.6
95.04971	0.8
97.02893	1.0
105.03344	0.4
107.01333	0.9
107.04957	0.8
111.00811	1.1
111.04445	1.0
119.04984	1.1
121.02899	0.5
123.04434	21.2
125.02373	2.1
127.03915	4.5
131.04936	1.4
135.04437	2.7
137.02345	2.4
139.03914	11.3
141.07002	0.8
143.03410	4.7
143.05003	0.9
147.04399	4.5
149.02339	0.9
149.05934	0.9
151.03902	12.0
153.01836	100.0
153.02885	5.0
154.02228	0.9
155.03532	0.4
155.04895	0.8
159.04445	1.1
161.05957	2.6
163.03915	11.8
165.05482	1.4
167.03426	0.7
169.06532	1.1
171.04384	0.6
173.06062	2.5
175.03915	2.5
177.05446	2.5
179.03380	5.2
179.07091	0.9
181.06477	0.8
183.04402	0.8
185.05956	1.9
187.03922	4.3
189.05492	1.6
191.03394	3.1
193.05002	1.7
197.05954	2.1
201.05481	2.8
203.03354	4.8
205.04942	1.1
207.06497	3.1
211.03877	0.5
213.05472	3.7
215.03432	0.8
215.07117	0.5
217.04976	3.4
225.05453	1.4
229.04956	3.8
231.06584	0.7
233.04459	1.3
237.05530	0.7
241.04915	4.2
243.06488	1.0
245.04488	2.7
247.06050	8.5
253.04930	1.1
255.06555	1.6
257.04407	2.0
259.06024	29.9
265.04913	0.7
271.06021	42.9
272.06476	1.0
273.07547	0.5
275.05429	2.2
283.06039	6.1
287.05530	11.3
289.07068	2.1
291.05804	0.6
291.08569	2.7
299.05612	3.0
301.07037	1.6
303.04941	0.8
303.08383	0.8
315.05099	0.6
331.04575	2.3
333.08847	0.4
409.09204	14.1
410.09338	0.6
411.10754	22.0
435.10818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.9
58.06628	0.5
59.07397	0.1
60.08166	6.0
60.84412	0.1
67.05499	0.4
69.72459	0.6
70.06591	0.1
71.06992	0.2
71.07379	3.2
79.05495	0.2
81.03429	0.1
81.07045	0.3
86.09711	28.6
87.10040	0.3
91.05466	0.1
93.07047	0.2
95.08607	0.2
98.21483	0.1
98.98470	3.3
104.10751	2.3
105.06982	0.1
110.65604	0.1
111.08043	0.1
125.00011	20.2
143.01103	0.2
184.07349	100.0
185.07687	1.0
218.54575	0.1
247.97282	0.1
436.86963	0.1
468.23785	0.2
598.14740	0.1
730.46606	3.6
731.46381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39901	0.4
52.95236	0.5
55.01870	0.6
55.05508	0.7
57.03434	1.2
61.02937	3.3
67.05520	2.4
69.03436	2.3
69.07075	0.6
69.47876	0.7
69.48284	2.5
71.01353	0.5
71.04997	1.2
72.40287	0.5
73.02938	2.3
79.05511	2.4
80.92464	0.5
83.04977	1.1
83.08614	0.9
85.02912	4.7
85.06546	0.4
87.08650	0.5
91.03971	1.8
91.05482	2.9
93.07079	1.1
95.04987	1.9
95.08618	1.0
97.02903	3.8
97.06570	0.6
99.04427	0.5
101.02410	1.2
105.07027	2.8
107.04982	0.8
107.08582	1.0
109.02901	1.1
117.07044	0.5
119.08620	1.6
119.31507	0.4
121.10163	1.6
127.03967	1.2
129.07002	0.5
131.08592	1.9
133.10173	1.2
137.05989	0.7
139.03867	0.4
146.54230	0.5
147.04558	0.4
147.11740	1.6
148.36497	0.4
149.09660	1.2
157.10205	1.6
167.07083	0.6
175.11151	0.8
193.12294	1.7
195.36018	0.4
197.15463	0.7
211.13300	0.8
243.08452	1.9
251.12631	1.0
267.16284	0.5
281.58865	0.4
283.15277	3.9
330.08902	0.5
339.17853	0.8
422.36694	0.4
469.20508	7.4
501.23160	8.2
567.31744	0.8
609.01141	0.6
672.22266	0.5
707.52032	0.5
729.36707	100.0
730.36743	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	728.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01873	3.5
55.05513	19.6
55.22225	2.1
57.03439	16.3
57.07082	10.4
57.93223	1.9
61.02925	3.4
65.03936	3.4
67.05510	74.6
69.03416	2.6
69.07072	21.4
69.60598	1.7
71.04997	4.3
71.08620	5.8
71.50523	3.1
73.02898	2.0
79.05087	2.2
79.05505	31.0
81.07062	75.2
83.08637	17.9
85.02914	4.3
85.06533	5.2
85.10174	3.2
86.09695	3.2
91.05492	17.1
93.07051	31.4
93.16776	1.9
95.08616	100.0
97.02898	3.1
97.06521	5.6
97.10179	4.9
97.31734	1.8
99.08075	3.7
105.07043	10.7
107.08607	15.4
109.10172	37.6
119.08583	13.0
121.10166	12.9
123.08107	2.9
123.11689	4.3
126.46528	1.7
131.08562	6.3
133.10117	10.1
135.11711	11.7
137.13248	5.0
145.10103	4.5
145.84557	1.7
147.11661	3.7
149.13248	5.5
159.11699	3.7
161.13271	14.7
163.14771	1.9
169.06847	2.0
173.11821	4.4
173.13220	3.2
179.14297	5.5
184.07346	6.6
185.13141	2.1
197.15347	4.4
229.14403	17.2
243.21190	2.8
261.22095	12.4
269.17407	3.3
271.19064	82.5
283.74429	2.3
313.27310	12.0
335.25824	74.5
342.86169	1.9
429.43445	2.1
467.37387	11.3
468.37518	3.1
531.40546	72.6
592.91730	2.1
617.15314	1.9
754.53473	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01851	3.0
55.05519	18.5
57.03445	15.1
57.07072	15.7
60.08178	3.3
61.02917	3.8
65.03937	4.7
67.05508	96.7
67.98720	1.9
69.07075	28.1
71.04987	4.9
71.08625	6.9
71.81606	2.1
79.05500	27.5
81.03389	2.1
81.07060	85.2
83.04977	5.6
83.08618	23.2
85.02900	6.1
85.10199	2.4
86.09715	19.2
87.56209	1.8
91.05492	21.3
93.06490	3.5
93.07046	51.5
95.04967	3.1
95.08618	47.3
97.06522	7.6
97.10168	5.4
98.98467	3.0
99.08095	4.4
104.94136	1.8
105.07050	10.2
107.08594	23.1
109.10159	30.0
111.08064	7.8
111.11686	1.9
117.06985	6.1
119.08574	10.5
121.10150	18.9
123.11725	6.0
125.00024	12.6
131.08560	4.5
133.10121	11.0
135.11687	8.1
147.11647	4.7
149.13240	20.3
155.10677	2.0
159.11691	9.0
173.11700	5.4
177.12712	4.5
184.07368	53.1
195.13808	8.4
229.14313	30.3
263.23685	3.0
269.17499	90.2
292.92972	2.1
313.27386	20.7
337.27390	51.1
364.05374	2.4
380.25244	2.3
443.23740	2.3
451.28012	2.1
467.37308	22.1
531.40503	100.0
532.40656	3.2
539.92212	2.3
571.46503	2.7
599.50104	7.1
728.47400	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	728.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01860	4.0
55.05523	9.5
57.03437	8.1
61.02929	1.6
67.05508	48.3
68.12015	1.2
69.03426	2.3
69.07072	13.0
71.04984	4.1
71.07359	1.7
71.50415	1.8
71.50794	1.5
73.02906	1.8
79.05083	2.2
79.05495	31.5
81.03421	2.6
81.07054	49.2
81.17612	1.4
83.04993	3.8
83.08619	8.1
85.02908	1.7
85.06530	5.2
86.09715	9.1
87.04442	1.5
87.81811	1.3
91.04904	2.6
91.05475	32.9
93.07046	24.8
94.64733	1.6
95.04960	6.4
95.08607	21.2
97.06490	2.4
97.10179	1.4
99.04412	1.6
104.69560	1.5
105.07027	28.3
107.08595	30.8
109.06507	4.1
109.10162	47.7
111.08044	1.4
117.06992	3.1
119.08599	6.9
121.10138	10.5
123.11717	10.5
124.99992	6.1
127.07523	2.8
131.08537	3.7
133.09125	2.7
133.10130	49.0
134.10599	1.6
135.11687	3.2
137.13373	1.3
145.10109	3.6
147.08070	1.4
147.11711	2.8
149.13257	3.7
151.11197	20.9
159.11719	3.4
161.09608	2.0
161.13240	2.2
169.12242	3.1
173.13065	1.7
184.07335	29.6
215.12843	1.3
243.21095	1.6
253.14360	100.0
261.22156	12.2
271.15396	27.2
313.27432	1.6
317.24649	1.6
335.25806	55.3
345.63708	1.5
436.21417	1.7
439.31876	2.2
513.35742	4.7
531.36877	50.2
532.37195	2.0
545.37976	2.0
549.37006	1.5
669.37244	2.6
728.44513	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	728.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32533	0.9
53.03922	1.5
55.01873	4.6
55.05515	9.1
57.03443	7.6
57.07066	1.7
61.02911	1.4
61.84131	1.0
65.03918	3.3
66.92844	1.1
67.05511	40.8
69.03427	3.7
69.07072	10.3
70.96940	1.1
71.04988	3.0
71.50159	1.3
79.05501	21.4
81.03417	3.2
81.06598	2.1
81.07063	38.7
83.05003	5.5
83.08639	3.6
85.02912	2.5
85.06537	4.1
86.09713	6.3
91.05489	30.0
93.07051	22.9
95.04965	6.2
95.08609	18.7
97.02871	1.8
97.06543	2.1
97.10149	1.7
99.04444	1.7
99.08132	1.6
105.07045	20.6
107.04971	1.9
107.08604	28.4
109.06522	3.2
109.10172	40.1
117.07027	3.8
119.08613	6.2
121.10134	6.8
123.11730	8.9
124.99994	2.5
125.09596	1.8
127.07520	1.9
128.06252	1.6
129.07005	1.2
131.08586	4.1
133.10139	47.2
135.11720	4.6
137.09647	1.2
143.08508	1.8
144.49934	1.1
145.10121	3.2
147.11662	2.5
149.13264	2.2
151.11185	20.8
159.11684	2.4
161.09592	2.1
161.13258	2.0
163.14810	1.5
169.12230	3.6
173.13277	2.4
184.07349	16.9
184.08998	1.3
204.56688	1.2
215.12781	2.9
235.13733	1.1
241.37424	1.1
243.21146	3.9
253.14377	100.0
254.14658	2.5
261.22141	11.2
271.15427	33.7
274.55420	1.0
279.23169	1.5
317.24799	2.2
335.25803	29.2
336.25974	1.4
457.33029	2.0
489.35721	1.2
513.35498	8.6
531.36841	32.5
689.19855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.1
56.05032	0.7
58.06367	0.1
58.06628	0.3
59.07403	0.2
60.08165	6.8
67.05529	0.2
69.23345	0.5
69.23771	0.4
70.06580	0.2
71.07375	3.6
74.48798	0.1
77.97923	0.1
79.05484	0.2
81.03419	0.1
81.07052	0.2
86.09707	33.1
87.10040	0.4
91.05453	0.2
93.07040	0.2
95.08620	0.1
98.20770	0.2
98.98466	3.8
104.10745	2.3
107.08606	0.1
125.00005	23.3
143.01038	0.1
166.02737	0.1
184.07341	100.0
185.07680	0.9
262.25327	0.1
324.66367	0.1
334.67987	0.1
363.90967	0.1
429.82443	0.1
468.23868	0.2
728.44995	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	728.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11037	0.2
53.03947	0.3
53.42488	0.2
55.05511	1.5
56.05037	0.7
57.03438	0.8
57.07076	0.4
58.06625	0.5
60.08171	6.5
61.02927	0.4
65.03943	0.3
67.05514	4.7
69.03441	0.5
69.07066	1.1
69.41115	0.2
69.41438	1.8
71.07379	3.9
77.88593	0.2
79.05502	3.3
81.03429	2.9
81.07066	5.0
83.04992	0.6
83.08632	1.2
85.02909	1.3
85.06532	0.2
86.09715	32.3
87.10040	0.6
91.05495	4.6
93.07050	3.5
95.04964	1.4
95.08620	2.7
97.02871	0.3
97.06535	0.5
97.10204	0.4
98.20797	0.4
98.98473	3.9
104.10754	2.7
105.07038	2.2
107.08620	1.8
109.06501	0.4
109.10161	0.9
111.08094	0.5
117.07011	0.4
119.08611	1.8
121.10148	1.1
123.11734	0.3
123.32608	0.2
125.00019	22.5
126.00368	0.3
129.07016	0.5
131.08565	1.0
133.10138	2.6
135.11700	0.8
136.04816	0.2
137.09595	0.3
143.01013	0.3
143.08559	0.3
145.10147	0.5
147.07980	0.3
147.11702	1.1
149.09608	0.4
149.13269	0.4
155.53484	0.2
157.10146	0.6
159.11748	0.4
161.09592	0.5
161.13210	0.3
165.12830	0.2
175.11215	0.3
179.10736	0.5
184.07359	100.0
185.07695	1.6
186.07875	0.5
193.12219	1.6
211.13290	2.5
239.12798	0.8
251.12782	0.3
253.14346	0.5
262.73376	0.2
267.15909	0.4
271.15405	1.6
285.16998	2.4
321.24353	2.3
335.25833	2.6
377.11221	0.3
499.33997	0.4
513.35547	0.5
517.35120	0.6
531.36859	4.6
605.13354	0.3
698.50238	0.2
717.76404	0.3
728.33044	0.3
728.45020	5.4
729.44385	0.3
748.29504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53390	0.1
55.05489	0.1
55.10227	0.1
56.04837	0.1
56.05042	0.7
58.06623	0.4
59.07388	0.2
60.08166	6.5
64.86499	0.1
67.05493	0.3
69.07028	0.1
69.20391	0.1
69.20795	0.7
70.06577	0.2
71.07375	3.5
79.05490	0.2
79.35532	0.1
81.07055	0.3
86.09708	31.8
87.10052	0.3
91.05495	0.2
92.24252	0.1
93.07033	0.1
95.08615	0.1
98.98470	3.4
101.40321	0.1
104.10750	2.6
105.07049	0.1
107.08589	0.1
109.70537	0.1
119.08618	0.1
121.10147	0.1
125.00008	21.8
126.00329	0.1
131.08575	0.1
135.36015	0.1
143.01074	0.2
184.07344	100.0
185.07750	0.5
196.39984	0.1
309.68454	0.1
425.30579	0.1
450.22607	0.1
518.32391	0.2
728.44977	4.1
729.45062	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.9
55.01864	3.2
55.05516	2.5
57.03426	1.7
61.98523	1.5
65.03938	5.0
67.05492	6.3
69.03423	3.3
70.83930	2.7
71.04988	1.9
74.82623	1.5
78.04713	1.7
79.05513	9.3
81.03435	10.3
81.07045	5.0
83.08578	1.5
85.02914	2.5
86.09671	1.8
89.03921	2.7
91.05485	9.8
91.05943	1.5
93.03436	2.2
93.07037	2.7
94.04200	2.0
95.04966	5.3
95.08600	1.8
97.06529	2.5
98.20850	1.6
103.05470	13.2
105.03389	3.1
105.07032	10.5
106.04176	3.2
107.04963	10.6
107.08621	3.2
109.02899	2.6
109.06515	2.2
109.10162	4.3
110.03660	1.5
111.04455	3.6
115.05460	12.1
117.03390	3.6
117.07062	7.4
118.04179	2.3
119.04909	4.3
119.08591	2.7
119.13580	1.6
120.93715	1.6
121.02829	1.9
121.06495	4.0
122.03643	5.8
122.55419	1.5
123.04411	8.7
124.05222	3.1
125.05988	2.9
128.06177	3.1
129.07005	2.9
131.04924	13.8
131.08533	3.0
132.05766	2.7
133.02879	11.0
133.06500	4.6
134.03673	1.7
135.04424	3.5
137.04915	2.3
137.05984	46.7
138.38492	1.5
139.07584	1.7
143.04947	3.7
144.05669	3.2
145.02881	2.9
145.06479	16.7
146.03529	1.8
147.04442	9.3
147.07986	1.8
148.05182	3.0
149.05936	4.4
150.06754	1.8
151.03835	5.5
151.07552	16.8
152.04738	3.3
153.05458	4.5
155.06038	4.0
157.06480	2.8
159.04482	2.6
159.08051	2.1
160.05246	3.7
161.05969	18.8
163.03899	4.3
163.07552	9.2
165.05515	2.7
165.06929	1.9
167.07054	100.0
170.02165	1.6
173.05977	22.0
174.06721	2.7
175.07536	7.9
177.05556	10.1
177.09212	1.9
178.07774	2.1
179.06982	1.8
179.08495	3.0
181.04977	44.7
181.06459	2.1
181.08467	2.1
184.07333	1.8
185.06036	2.4
187.07515	9.3
189.05458	3.4
189.07016	4.7
189.09071	4.3
190.06163	3.5
190.07840	2.3
191.07051	23.0
191.08588	3.6
193.08652	2.0
193.12326	2.8
194.07355	2.0
195.08118	1.7
201.05336	2.0
203.07004	5.8
205.06602	4.4
205.08600	11.8
206.07266	6.5
207.06436	2.0
207.08087	6.9
210.06770	1.9
211.07616	1.8
211.12994	1.9
215.06914	2.1
217.06601	3.7
217.08600	7.1
218.07298	4.4
219.08086	6.6
219.10025	2.8
221.09622	3.2
222.06918	2.0
223.07503	3.9
224.08385	2.7
225.09282	3.0
229.14290	1.9
233.05927	3.5
233.08080	10.0
234.06714	12.6
234.08893	3.9
235.07541	11.8
235.09679	7.3
236.08331	3.3
237.09097	5.6
238.09825	1.8
240.07790	2.4
241.08670	3.6
247.07527	6.1
247.09831	3.3
248.08293	3.4
249.09119	14.0
250.06323	3.6
250.09743	2.5
251.07057	4.1
251.10657	1.8
252.07724	3.6
253.08603	2.4
254.09541	2.4
261.09222	2.6
262.06277	7.2
263.06955	9.2
263.09152	3.3
264.07852	2.3
265.08667	7.4
266.09409	3.1
267.06659	1.7
267.10162	8.9
277.08606	27.8
278.09290	7.0
279.06769	2.9
279.10114	10.4
280.07373	2.6
281.08463	1.8
281.11707	7.5
283.09674	2.3
291.09952	1.9
293.08029	6.2
293.11331	2.4
294.08865	6.2
295.09641	18.0
297.11014	7.4
307.09671	4.9
309.11206	44.8
310.08862	1.8
310.12024	46.2
311.12686	16.1
313.10925	2.5
321.11172	2.2
325.10846	9.0
327.12341	4.0
329.10175	5.3
337.10526	3.2
339.12167	2.2
355.11963	2.7
369.13425	2.4
377.13528	1.8
381.13306	2.2
385.12729	3.0
387.14471	7.5
399.14246	4.5
417.10275	2.2
417.15491	32.9
475.17538	1.7
513.18964	3.0
525.18616	3.5
577.20416	2.7
638.21466	2.5
727.27252	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.9
55.01864	3.2
55.05516	2.5
57.03426	1.7
61.98523	1.5
65.03938	5.0
67.05492	6.3
69.03423	3.3
70.83930	2.7
71.04988	1.9
74.82623	1.5
78.04713	1.7
79.05513	9.3
81.03435	10.3
81.07045	5.0
83.08578	1.5
85.02914	2.5
86.09671	1.8
89.03921	2.7
91.05485	9.8
91.05943	1.5
93.03436	2.2
93.07037	2.7
94.04200	2.0
95.04966	5.3
95.08600	1.8
97.06529	2.5
98.20850	1.6
103.05470	13.2
105.03389	3.1
105.07032	10.5
106.04176	3.2
107.04963	10.6
107.08621	3.2
109.02899	2.6
109.06515	2.2
109.10162	4.3
110.03660	1.5
111.04455	3.6
115.05460	12.1
117.03390	3.6
117.07062	7.4
118.04179	2.3
119.04909	4.3
119.08591	2.7
119.13580	1.6
120.93715	1.6
121.02829	1.9
121.06495	4.0
122.03643	5.8
122.55419	1.5
123.04411	8.7
124.05222	3.1
125.05988	2.9
128.06177	3.1
129.07005	2.9
131.04924	13.8
131.08533	3.0
132.05766	2.7
133.02879	11.0
133.06500	4.6
134.03673	1.7
135.04424	3.5
137.04915	2.3
137.05984	46.7
138.38492	1.5
139.07584	1.7
143.04947	3.7
144.05669	3.2
145.02881	2.9
145.06479	16.7
146.03529	1.8
147.04442	9.3
147.07986	1.8
148.05182	3.0
149.05936	4.4
150.06754	1.8
151.03835	5.5
151.07552	16.8
152.04738	3.3
153.05458	4.5
155.06038	4.0
157.06480	2.8
159.04482	2.6
159.08051	2.1
160.05246	3.7
161.05969	18.8
163.03899	4.3
163.07552	9.2
165.05515	2.7
165.06929	1.9
167.07054	100.0
170.02165	1.6
173.05977	22.0
174.06721	2.7
175.07536	7.9
177.05556	10.1
177.09212	1.9
178.07774	2.1
179.06982	1.8
179.08495	3.0
181.04977	44.7
181.06459	2.1
181.08467	2.1
184.07333	1.8
185.06036	2.4
187.07515	9.3
189.05458	3.4
189.07016	4.7
189.09071	4.3
190.06163	3.5
190.07840	2.3
191.07051	23.0
191.08588	3.6
193.08652	2.0
193.12326	2.8
194.07355	2.0
195.08118	1.7
201.05336	2.0
203.07004	5.8
205.06602	4.4
205.08600	11.8
206.07266	6.5
207.06436	2.0
207.08087	6.9
210.06770	1.9
211.07616	1.8
211.12994	1.9
215.06914	2.1
217.06601	3.7
217.08600	7.1
218.07298	4.4
219.08086	6.6
219.10025	2.8
221.09622	3.2
222.06918	2.0
223.07503	3.9
224.08385	2.7
225.09282	3.0
229.14290	1.9
233.05927	3.5
233.08080	10.0
234.06714	12.6
234.08893	3.9
235.07541	11.8
235.09679	7.3
236.08331	3.3
237.09097	5.6
238.09825	1.8
240.07790	2.4
241.08670	3.6
247.07527	6.1
247.09831	3.3
248.08293	3.4
249.09119	14.0
250.06323	3.6
250.09743	2.5
251.07057	4.1
251.10657	1.8
252.07724	3.6
253.08603	2.4
254.09541	2.4
261.09222	2.6
262.06277	7.2
263.06955	9.2
263.09152	3.3
264.07852	2.3
265.08667	7.4
266.09409	3.1
267.06659	1.7
267.10162	8.9
277.08606	27.8
278.09290	7.0
279.06769	2.9
279.10114	10.4
280.07373	2.6
281.08463	1.8
281.11707	7.5
283.09674	2.3
291.09952	1.9
293.08029	6.2
293.11331	2.4
294.08865	6.2
295.09641	18.0
297.11014	7.4
307.09671	4.9
309.11206	44.8
310.08862	1.8
310.12024	46.2
311.12686	16.1
313.10925	2.5
321.11172	2.2
325.10846	9.0
327.12341	4.0
329.10175	5.3
337.10526	3.2
339.12167	2.2
355.11963	2.7
369.13425	2.4
377.13528	1.8
381.13306	2.2
385.12729	3.0
387.14471	7.5
399.14246	4.5
417.10275	2.2
417.15491	32.9
475.17538	1.7
513.18964	3.0
525.18616	3.5
577.20416	2.7
638.21466	2.5
727.27252	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2083
Annotation	Helieianeoside A
Peak:m/z	Relative Intensity
51.03497	0.2
51.69955	0.2
55.01867	0.2
57.03439	2.6
61.02905	0.8
68.99783	0.5
69.03435	2.6
69.24026	2.2
71.01332	0.5
71.05000	8.8
73.02920	2.2
75.04469	0.5
76.43870	0.2
81.03412	1.0
83.04983	1.6
85.02911	14.6
87.04473	0.3
91.03882	0.3
95.04969	0.5
97.02900	3.9
99.04423	0.3
109.02863	0.6
111.04457	1.2
115.03927	1.5
121.02859	1.6
123.04465	0.3
127.03905	1.0
129.05492	2.8
133.02855	0.5
133.04990	0.4
137.02357	0.6
139.03972	0.4
145.04936	0.9
145.06422	0.3
147.04391	0.3
147.06558	1.9
147.37587	0.2
147.69568	0.3
153.01811	1.9
157.06483	0.3
163.06015	0.3
165.01797	1.2
183.02893	0.6
187.06084	0.2
213.05467	0.7
225.07635	1.0
231.06512	0.4
241.05011	0.7
243.08714	0.4
258.05341	0.9
287.05515	100.0
288.05786	2.0
299.05606	0.5
309.78177	0.2
311.05359	0.3
329.06470	1.2
334.01486	0.3
449.11005	1.5
549.98462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01872	2.1
55.05516	20.4
57.03437	14.5
57.07077	3.4
61.02926	7.0
65.03943	3.0
67.05511	78.8
69.03455	1.9
69.07077	20.6
70.75627	3.7
71.05002	3.4
79.05499	51.9
81.03420	4.3
81.07063	96.8
83.04975	4.0
83.08622	16.9
85.02903	4.7
85.06567	2.5
91.03949	3.4
91.05491	29.4
93.07051	67.5
95.04961	3.4
95.08614	42.8
97.02888	4.4
97.06526	8.3
97.10175	4.7
99.04372	1.6
99.08138	1.6
105.07042	18.0
107.08604	39.0
109.10180	17.6
111.08095	4.2
117.07029	11.1
119.08588	9.0
121.06564	1.6
121.10141	18.4
123.11746	9.8
131.08589	12.3
133.10158	18.4
135.08075	1.9
135.11697	16.4
137.13216	1.7
145.10139	7.0
147.11705	4.1
149.13266	16.3
151.11247	2.8
159.11722	11.0
161.13292	4.5
163.14876	2.8
173.13339	2.7
175.14935	1.7
177.12790	3.7
184.07230	1.5
185.13225	1.4
187.14890	2.0
195.13872	12.5
213.14844	3.5
243.21083	4.2
251.16585	2.0
253.18008	1.7
261.22174	12.9
269.17505	88.1
270.17749	1.5
317.24738	2.9
335.25821	94.8
336.25873	2.0
436.03366	1.5
437.34192	2.9
529.38947	100.0
530.38922	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	726.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
51.76306	1.5
53.03926	2.8
54.16218	1.3
55.01877	2.2
55.05281	1.4
55.05517	14.5
56.58216	1.3
57.03449	12.8
57.07068	1.6
61.02919	4.2
61.05363	1.5
65.03930	2.6
67.05511	64.8
69.07071	21.7
69.17226	13.4
69.17628	2.8
71.04998	3.7
79.05499	45.1
81.03394	1.6
81.07060	69.7
83.04967	6.4
83.08628	12.0
85.02906	2.4
85.06545	2.2
91.03987	1.5
91.05482	22.7
93.07050	59.6
95.04943	3.9
95.08620	31.6
97.06552	7.7
98.21558	3.2
99.08086	4.0
105.07038	11.2
107.08604	30.3
109.06507	2.6
109.10146	9.5
111.08074	6.2
117.07034	7.1
119.08599	9.4
121.10156	20.4
123.11677	2.2
125.09600	1.9
131.08609	11.3
133.10136	7.3
135.08028	1.6
135.11702	10.4
145.10158	4.7
145.26118	1.3
147.11667	5.5
149.12190	2.4
149.13269	21.9
159.11710	10.6
161.13219	2.5
168.51157	1.3
173.13281	1.8
175.14769	1.5
177.12767	5.4
187.14787	1.3
195.13797	7.5
233.22949	1.5
243.21056	3.1
261.22217	7.9
267.16064	2.0
269.17502	87.3
270.17856	4.3
274.72571	1.7
275.45410	1.6
335.25803	55.1
336.25992	2.3
437.34183	1.7
529.38934	100.0
530.39355	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	724.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.05509	0.4
56.05027	0.8
57.29187	0.2
58.06363	0.2
58.06607	0.3
58.27894	0.2
60.08163	6.1
65.03948	0.2
67.05511	1.4
69.03422	0.3
69.07065	0.4
69.66499	0.4
69.66891	0.4
71.07372	3.3
71.08636	0.2
79.05497	1.1
81.03418	0.7
81.07058	1.4
82.28591	0.2
83.04996	0.2
86.09706	28.7
87.10043	0.4
91.05480	0.8
91.56079	0.2
93.07050	1.2
94.07366	0.3
95.08606	1.0
97.02892	0.5
97.06535	0.3
98.98463	3.3
104.10739	2.3
105.07057	0.7
107.08595	0.6
109.10172	0.4
111.08131	0.2
117.07008	0.3
119.08585	0.5
120.88669	0.2
121.10149	0.6
123.08112	0.2
125.00007	19.9
131.08615	0.3
133.10164	0.3
135.11707	0.4
143.08607	0.2
145.10141	0.4
149.13362	0.2
151.11226	0.2
153.76178	0.2
157.10149	0.2
159.11694	0.2
163.11177	0.2
167.14882	0.1
173.09679	0.2
184.07341	100.0
185.07729	1.0
186.07805	0.3
209.11684	0.3
261.21854	0.2
283.15424	0.2
335.25931	0.3
422.70605	0.2
496.34061	0.2
544.36914	0.2
595.46869	0.5
688.45398	5.5
724.44104	0.3
736.62427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87387	1.0
53.03956	6.9
55.01871	3.0
55.05273	1.5
55.05515	19.0
57.03156	1.8
57.03437	22.8
57.07068	2.5
60.67294	1.2
61.02905	3.4
61.86247	1.3
64.24966	1.1
65.03925	5.1
67.05508	70.0
69.03412	4.5
69.07075	16.0
69.25478	10.8
71.04974	4.0
73.02945	1.5
77.37862	1.1
77.50469	1.1
79.05497	51.9
81.03423	87.1
81.07059	64.7
83.04976	5.2
83.08150	1.8
83.08625	22.6
85.02888	4.9
86.09689	1.2
91.04906	2.2
91.05482	41.6
93.07049	55.0
95.04971	26.0
95.08615	45.7
97.02890	5.1
97.06517	4.5
97.10168	6.4
100.88544	1.1
105.07031	25.4
107.04961	7.2
107.08601	28.9
109.06507	5.1
109.10164	20.1
111.04429	1.9
111.08076	7.5
113.00025	1.9
115.05488	1.4
115.68530	1.3
117.07045	8.0
119.04932	1.8
119.08587	24.9
121.06509	4.5
121.10149	25.3
123.04392	1.9
123.08067	3.4
123.11739	6.4
125.09631	4.5
125.91125	1.0
129.07024	11.9
131.08580	20.5
133.06514	2.5
133.10149	13.7
135.08075	2.1
135.11681	12.0
137.09615	3.3
137.13277	1.7
142.07742	1.9
143.08537	2.4
145.10123	9.1
147.08057	4.1
147.11690	11.3
149.09645	3.4
149.13254	6.8
157.10165	8.5
159.11667	5.5
160.11177	1.6
161.13271	7.1
163.11165	3.7
163.14832	3.2
164.65791	1.2
165.12804	2.6
169.02750	1.3
171.11768	1.9
173.13271	7.1
175.11197	6.6
175.14841	2.1
177.12799	1.6
177.16321	1.9
184.07277	2.6
185.13210	2.2
187.14824	3.4
189.11197	3.5
193.12245	20.0
211.13205	1.6
213.12747	1.2
227.12752	4.5
235.13274	2.3
243.21175	5.3
249.14822	2.7
261.22147	18.7
267.15933	100.0
268.16205	2.5
273.14914	2.8
285.22150	1.7
301.14456	2.6
301.25266	5.0
309.16916	4.1
317.24704	4.2
335.25818	96.1
336.26093	2.1
377.20016	1.5
435.32617	3.7
453.33463	6.4
471.34299	3.6
481.21948	1.2
527.37372	48.5
528.37354	3.0
545.38458	19.6
569.38116	3.7
595.47369	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	724.448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51261	1.0
53.03936	1.9
55.05521	10.0
55.35949	0.9
56.85171	1.0
57.03442	5.8
57.07074	1.9
61.02920	4.5
65.03946	2.0
67.05508	62.7
68.32217	0.9
69.03411	3.4
69.07070	8.5
69.40898	8.0
71.01347	0.9
71.04997	44.6
73.02898	1.8
79.05496	21.1
81.03433	2.7
81.07062	100.0
83.04982	6.1
83.08641	7.8
85.02889	3.8
85.06174	0.9
85.06549	10.5
91.03971	1.1
91.05486	37.1
93.06489	1.9
93.07046	23.2
95.04948	3.4
95.08617	11.2
97.02883	1.8
97.06543	8.4
97.10207	1.5
99.04482	1.1
99.08080	1.6
105.07041	15.8
107.04967	1.2
107.08601	16.7
109.06512	2.7
109.10159	9.0
111.08085	4.0
117.07016	4.5
119.08590	2.8
121.10156	7.2
123.08066	1.4
123.10844	1.4
123.11720	20.5
123.43440	1.2
125.00042	1.3
131.08569	6.1
133.10144	27.0
135.11714	5.7
144.46497	1.1
145.10136	1.7
147.11705	1.7
149.13271	7.3
151.11183	14.6
157.10170	1.3
159.11688	8.2
169.12210	2.0
177.12723	2.2
183.13844	9.4
184.07343	3.4
187.13335	6.1
195.13881	4.9
201.14870	2.0
213.14888	1.2
214.14986	1.0
216.44244	1.0
225.14787	2.5
243.15868	1.0
253.17833	1.4
257.17429	2.8
269.17459	5.0
274.52194	1.1
283.19107	1.4
301.20099	21.3
419.28113	1.7
425.29016	7.1
437.29089	5.2
449.32358	1.0
451.30490	9.9
463.30661	7.1
469.31650	74.5
470.31757	2.9
483.33279	11.2
495.33203	47.6
496.33539	3.0
527.35889	54.7
528.35852	3.7
639.37543	1.3
704.67493	1.3
724.39642	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	724.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01876	3.0
55.05518	9.0
57.03449	9.8
61.02912	1.5
65.03932	1.4
67.05507	17.7
69.03433	2.4
69.07069	4.0
69.39520	8.5
69.39828	1.0
71.04984	2.1
71.07147	1.0
79.05503	15.6
81.03425	71.7
81.07063	17.9
83.04977	7.9
83.08630	19.3
85.02927	8.5
85.06589	1.2
91.05488	20.6
93.07062	11.0
95.04974	22.0
95.08608	6.3
97.02909	2.5
97.06541	3.0
97.10164	5.0
99.91232	1.2
105.07026	14.0
107.04948	6.6
107.08600	5.7
109.06521	4.6
109.10152	3.0
111.04433	1.9
111.08094	9.3
113.06042	2.1
117.07056	2.6
119.08580	13.8
121.06522	4.0
121.10120	6.6
123.04445	1.2
123.08084	2.1
125.09660	2.6
129.07019	10.2
131.08606	10.0
133.06516	2.9
133.10143	6.9
135.08092	1.6
137.09668	1.5
142.07776	2.5
145.06464	4.8
145.10132	2.0
147.08073	3.7
147.11719	10.1
149.09634	5.3
155.08502	1.1
157.06541	1.2
157.10136	13.1
163.11272	1.5
165.12718	1.6
175.11200	12.1
187.11215	1.1
189.11214	1.7
193.12265	29.9
209.13274	1.6
211.13301	15.8
213.12613	1.2
233.15282	1.1
237.12852	1.4
249.15002	3.2
251.80217	1.2
255.13818	1.3
267.15942	100.0
268.16235	2.5
273.14886	3.6
280.98254	1.3
284.02652	1.3
285.16977	15.9
339.23224	2.0
349.21732	2.9
367.22614	11.5
385.23734	12.2
403.24951	2.7
433.25903	15.0
434.26178	1.3
441.26529	6.0
449.14343	1.1
459.27441	63.5
460.27933	3.3
477.28531	41.6
519.29193	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	5.3
58.87141	1.1
71.48341	2.2
78.63886	1.4
84.96036	4.5
98.97585	41.3
98.98209	2.6
110.97569	16.6
116.98626	10.7
128.98593	9.9
134.99698	2.2
138.38948	1.2
140.98550	7.4
143.00165	11.6
146.99677	4.1
152.98628	4.9
158.99658	17.9
159.00897	1.6
161.01251	6.5
170.99649	21.7
177.00699	8.1
182.99664	25.3
189.00734	13.4
194.99718	1.7
201.00716	50.0
213.00771	5.3
219.01764	32.0
226.22495	1.3
231.01793	3.1
235.98065	1.3
237.02875	10.9
243.01767	21.5
243.03999	2.0
261.02841	96.2
273.02795	8.5
279.03885	33.8
291.03882	14.6
303.03622	1.9
321.04929	33.2
333.04877	3.8
351.05942	7.5
363.06100	3.2
381.07410	46.1
388.34579	1.4
399.08115	19.7
441.09180	100.0
442.09949	2.7
453.08875	2.6
471.10724	1.9
547.08234	1.1
554.82239	1.3
605.17206	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	723.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.9
53.03936	6.7
55.01873	3.4
55.05513	18.2
55.45149	2.0
57.03436	8.9
57.07080	2.8
65.03930	3.0
67.05508	79.6
69.03419	7.6
69.07073	20.4
71.04995	19.6
71.08640	1.8
73.06483	1.5
79.05493	43.2
81.03424	19.2
81.07058	100.0
82.07389	2.3
83.04984	22.4
83.08625	11.3
84.90778	1.6
85.02914	3.8
85.06556	8.6
91.05483	40.4
93.06487	3.4
93.07047	42.0
95.04972	6.1
95.08611	32.3
97.02890	5.6
97.06524	6.5
97.10182	4.2
97.41277	1.4
98.20781	5.4
98.98491	1.7
99.04467	2.7
105.07034	22.4
107.04963	2.3
107.08594	25.5
109.02856	2.0
109.06520	1.9
109.10163	17.9
111.04453	3.9
111.08061	2.7
117.07000	7.4
119.08588	14.3
121.10157	16.4
123.08077	3.5
123.11704	13.9
123.65165	1.6
125.09595	2.7
127.03922	3.0
129.05511	10.3
129.07002	4.6
131.08585	12.9
133.10141	20.1
135.11703	10.7
143.08571	4.5
145.10114	6.1
147.08066	1.8
147.11684	8.7
149.13243	7.2
151.11166	6.0
155.08525	2.7
157.10135	4.7
159.11649	8.8
161.13228	4.7
165.12756	2.2
171.11786	1.9
173.04442	4.5
173.11913	1.8
173.13295	4.2
177.12738	3.9
183.11823	2.1
183.13815	3.5
184.07356	7.0
185.07780	1.7
185.13347	3.0
187.13303	10.4
193.12160	1.8
195.13770	2.5
201.14836	2.4
225.14780	4.0
243.15953	6.3
261.22260	4.3
269.17462	6.0
277.21564	2.3
335.25888	20.0
351.23114	2.1
369.24078	3.4
445.24347	4.2
465.35568	3.6
503.37314	35.3
505.38672	12.9
529.38898	11.0
561.41602	28.0
595.47040	2.8
611.46368	2.6
673.43274	5.9
705.45892	8.4
723.44696	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99818	0.1
51.02380	1.4
51.07336	0.1
53.00308	0.2
53.03955	1.0
55.01886	0.4
56.26292	0.1
58.07356	0.1
68.99791	0.2
69.03428	0.3
71.45206	0.1
74.32931	0.1
77.03915	0.3
79.01856	7.6
81.03411	0.8
87.00848	0.3
95.04978	1.3
97.02893	1.5
105.03398	24.7
105.04546	0.6
106.03732	0.3
106.91375	0.1
107.01320	1.9
109.02886	1.0
123.00813	0.3
125.02351	3.1
127.03927	1.8
131.04898	0.2
143.02521	0.1
143.03404	7.5
153.01842	100.0
153.02901	7.2
154.02141	1.2
154.03235	0.2
155.53325	0.1
159.04411	0.3
163.03935	0.1
177.05550	0.3
205.04950	0.7
231.06552	3.1
233.04402	0.9
247.11481	0.1
261.03973	1.2
279.05099	0.4
309.64865	0.1
346.15295	0.1
358.34177	0.1
383.07632	0.2
401.08273	0.1
410.28741	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	722.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.01876	3.5
55.05509	9.2
57.03438	11.1
63.37812	1.1
67.05504	16.8
69.03426	2.4
69.07072	6.3
70.89286	1.1
70.94991	3.3
71.04987	4.1
79.05073	2.1
79.05493	25.4
81.03416	58.4
81.07052	21.0
83.04983	8.3
83.08624	18.9
85.02920	3.7
91.05482	17.7
93.06496	2.1
93.07045	29.0
95.04973	17.6
95.08067	2.0
95.08614	23.7
96.16940	1.0
97.02885	5.2
97.06529	4.2
99.04440	3.9
105.07034	17.3
107.04951	11.3
107.08588	19.3
109.02854	1.6
109.06512	5.0
109.10168	5.5
111.04453	4.2
111.08089	6.0
113.06061	1.3
117.07049	6.2
119.08582	15.3
121.06519	6.2
121.10130	12.2
122.10398	1.3
123.04391	2.0
123.08047	4.1
125.06008	2.7
125.09621	2.2
129.06989	7.2
130.07816	1.2
131.08575	6.8
133.06483	3.0
133.10124	6.4
134.58557	1.1
135.08023	2.7
135.11693	32.5
137.09590	1.2
139.98775	1.5
145.10126	19.2
145.41411	1.2
146.10431	1.3
147.08046	4.8
147.11726	7.9
149.09628	4.9
153.01831	2.0
153.12782	2.4
157.10164	8.7
157.77734	1.1
163.11183	46.6
173.09621	1.2
175.11139	6.1
181.12204	8.2
193.12257	17.6
194.12633	1.3
199.53491	1.1
209.11758	2.7
211.13286	7.3
223.13277	1.6
227.12787	42.4
241.14384	1.9
249.14923	1.6
265.14392	1.3
267.15918	89.5
268.16226	2.0
275.19958	1.7
283.15402	60.4
284.15610	1.2
285.16989	3.9
315.18127	1.9
383.22012	4.8
457.25919	4.3
475.26917	100.0
476.27084	4.7
477.32693	1.2
493.27927	6.6
517.28015	2.0
525.30804	5.8
542.35376	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.8
57.07063	0.5
58.06607	0.6
60.08169	6.0
67.05509	0.8
69.07064	0.6
71.07381	3.7
74.42721	0.4
79.05489	0.6
81.07054	0.9
86.09711	33.8
93.07073	0.5
95.08592	0.6
98.21557	0.9
98.98460	4.3
104.10748	2.0
105.54767	0.5
109.10104	0.6
121.10159	0.6
124.99104	1.1
125.00011	21.7
157.54306	0.6
184.07352	100.0
187.42947	0.6
238.60039	0.5
263.86472	0.5
665.02289	0.6
722.49744	4.6
750.69000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01866	3.9
55.05514	11.1
55.39054	0.8
57.03205	0.7
57.03438	8.6
57.30896	1.0
59.05001	1.6
65.03931	1.3
67.05504	13.9
69.03425	3.2
69.07058	3.7
69.43321	4.1
69.43726	1.7
71.01369	0.8
71.04983	2.4
71.81022	0.8
79.05492	17.9
81.03422	42.3
81.07062	16.3
83.01343	4.9
83.04983	6.8
83.08621	12.8
85.02899	1.5
85.06534	1.0
91.05480	13.5
93.07053	15.0
95.04960	13.5
95.08609	6.8
97.02866	2.4
97.06524	2.6
97.10170	4.0
99.04473	1.1
103.05476	0.9
105.03340	0.9
105.07037	10.7
107.04960	9.0
107.08594	8.9
109.06529	4.6
109.10136	3.2
111.04446	2.4
111.08063	3.0
115.05396	0.8
117.06983	4.9
119.08594	10.9
121.06478	3.4
121.10148	4.3
123.04432	1.1
123.08089	4.1
125.09625	4.2
127.03944	1.0
128.06183	0.8
129.06985	5.2
131.04916	2.3
131.08554	7.0
133.06512	2.2
133.10179	4.2
135.08127	1.3
135.11697	5.1
137.09583	1.9
139.03839	0.9
142.07724	0.8
143.08536	1.0
145.06442	1.6
145.10181	7.9
147.04419	1.3
147.08017	2.8
147.11652	3.4
149.09607	2.5
153.01796	1.6
153.12750	1.1
157.06375	0.9
157.10098	4.3
159.08102	1.7
161.05960	2.6
161.09583	1.0
163.11186	11.9
165.12701	1.2
169.10114	1.1
171.08116	1.0
173.09573	2.8
175.11179	3.8
181.12234	1.1
184.07312	1.2
185.13217	1.3
189.11205	1.3
191.10706	2.8
193.12276	8.7
205.12254	1.1
209.11694	2.5
211.13298	2.8
227.12769	3.5
237.11073	1.3
267.13083	1.3
267.15924	23.8
267.73901	0.8
271.13272	0.9
273.14886	1.5
281.13153	0.9
283.12454	1.4
283.15387	21.6
285.17075	2.0
289.14291	3.6
297.31866	1.0
355.22571	2.0
365.21161	2.7
371.22610	0.9
383.22125	17.7
401.23248	8.2
419.24136	1.7
421.23923	1.1
431.24405	1.9
439.24466	2.5
457.25937	26.9
458.26245	0.9
475.26944	100.0
476.27368	2.1
493.27997	12.1
722.39380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	3.6
52.98377	3.2
53.03933	11.9
55.05519	22.0
57.03423	10.9
57.07057	4.6
61.34106	3.0
65.03933	6.5
67.05508	83.1
69.07063	19.7
70.30883	11.7
71.04980	4.5
79.05502	90.9
81.03422	14.8
81.07060	73.8
83.04955	11.6
83.08601	12.7
85.02889	4.3
86.09690	9.8
91.05493	69.1
93.06496	5.8
93.07051	86.6
95.04959	18.3
95.05497	3.6
95.08614	54.2
97.06501	7.6
97.10184	4.8
105.07027	45.6
107.04940	5.1
107.08600	32.6
109.06486	7.1
109.10172	15.1
117.07005	12.5
119.08591	26.8
121.10165	19.2
123.08054	8.3
123.11736	3.2
128.06223	3.5
129.06989	16.1
129.14478	3.1
131.08568	7.5
132.74385	3.0
133.10118	16.8
135.11694	7.6
140.50807	3.0
143.08542	9.3
145.10110	12.7
147.11694	39.3
149.13229	4.3
159.11700	6.3
161.13274	13.6
171.11708	27.4
181.25786	3.1
184.07387	19.3
189.12740	7.2
192.30551	3.1
207.13828	27.4
252.46819	3.1
261.22064	7.6
276.41901	3.3
281.17490	68.1
335.25833	65.1
476.21252	3.4
477.21780	6.7
537.23694	4.6
541.38965	100.0
542.39099	8.4
623.27917	12.6
624.28394	32.6
721.33655	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	721.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	18.5
54.48809	2.5
55.01877	25.3
55.05514	39.6
57.03443	20.5
61.02915	7.1
65.03947	4.7
67.05508	85.9
68.87731	2.8
69.03429	29.0
69.07076	35.6
69.50180	19.6
71.01355	2.3
71.05004	11.9
73.02906	4.5
79.05501	80.8
81.03423	100.0
81.06601	5.4
81.07063	84.8
83.04988	30.0
83.08625	25.8
85.02900	24.0
85.06550	3.0
88.06912	2.5
91.04907	4.1
91.05484	83.0
93.07050	64.6
95.04474	2.6
95.04986	31.8
95.08607	38.6
97.02900	27.3
97.06546	25.0
97.10178	12.8
99.04447	7.3
99.08098	4.4
103.05425	2.6
105.07032	66.3
107.04964	27.5
107.08595	47.7
109.02888	12.5
109.06524	16.1
109.10158	23.9
111.04446	12.9
111.08088	12.1
115.05460	6.2
117.07030	29.7
119.08583	49.7
121.06516	12.1
121.10149	26.2
123.08080	9.2
123.11700	9.4
125.09630	13.3
127.03935	13.6
128.06204	3.8
129.07007	18.9
131.08559	32.8
133.06505	9.2
133.10132	35.7
135.08086	11.9
135.11699	10.7
137.09605	8.1
141.06981	6.2
142.07803	4.1
143.08615	13.8
145.06485	5.3
145.10104	23.4
147.11699	30.8
149.09645	19.3
149.13301	3.9
151.11122	7.0
153.12778	3.1
155.08546	6.6
157.10146	15.8
159.08075	5.2
159.11682	15.9
161.09576	3.1
161.13266	9.4
163.11198	15.2
165.12747	8.5
167.08556	3.4
169.10138	7.5
171.07986	3.2
171.11674	11.5
173.04517	14.6
173.09573	5.1
173.13222	9.1
175.11279	16.6
177.12787	5.6
179.14360	2.6
181.10176	4.7
181.12180	3.5
183.11694	9.5
185.13249	6.0
187.11162	5.8
187.14804	3.3
189.11215	8.7
191.10599	3.7
193.12247	33.9
194.12398	3.2
195.11760	3.5
197.13229	5.4
207.13600	3.0
211.13277	41.5
227.12781	15.7
229.14330	7.6
229.19453	5.3
239.17830	5.4
247.20552	5.1
257.19110	12.7
262.24585	2.6
267.15909	22.1
273.14798	2.8
275.20102	78.6
283.15457	5.1
285.17041	20.7
293.21146	9.2
313.21579	3.9
317.20944	3.1
331.22815	4.4
337.16708	2.8
349.23764	38.7
355.17679	2.9
401.23489	4.2
429.21109	8.2
449.30280	3.4
493.27557	3.2
523.34180	3.2
541.35345	38.5
559.36279	38.9
617.99243	2.7
685.38904	3.4
703.40601	23.2
721.41553	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	721.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	16.0
55.01878	35.0
55.05514	39.5
56.74868	2.8
57.03442	17.0
62.34198	3.0
65.03925	8.1
67.05181	5.5
67.05511	59.9
69.03428	17.4
69.07077	40.9
71.04996	11.6
71.50374	4.7
71.50762	4.4
73.02949	5.3
79.05492	53.0
81.03426	94.9
81.07061	81.3
83.04984	27.3
83.08627	26.3
85.02906	16.1
85.06570	4.8
85.40989	3.2
90.38271	3.1
91.05489	75.1
93.07053	47.9
95.01337	10.5
95.04971	29.4
95.08613	40.7
97.02907	28.1
97.06537	52.4
97.10182	5.0
99.04469	4.9
99.08031	4.2
103.05479	4.1
105.07035	87.9
107.04966	23.7
107.08614	26.0
109.02902	15.0
109.06521	8.8
109.10169	24.5
111.04454	11.5
111.08080	8.3
117.07047	21.4
119.08594	52.1
121.06512	9.1
121.10203	20.5
123.04461	7.3
123.08058	11.6
123.11703	3.7
125.09652	4.6
127.03913	12.1
129.07024	13.7
131.08578	35.7
133.10141	48.3
135.08072	4.8
135.11723	6.2
137.09622	5.9
143.08591	4.9
145.06531	5.1
145.10153	21.5
147.11700	31.5
149.05919	4.3
149.09647	14.8
149.13257	8.3
151.07549	4.4
151.11241	3.4
153.01881	5.1
153.07054	3.2
157.10120	16.8
159.11717	16.8
161.13309	5.3
163.11163	8.9
163.14851	3.6
165.09207	3.5
165.12746	4.9
171.11742	6.2
173.09546	3.7
173.13280	8.1
175.11220	11.1
175.14842	3.9
177.12741	4.9
179.14282	15.3
183.11810	5.8
184.07349	5.4
187.11171	6.6
193.12259	35.4
211.13274	38.5
227.12775	6.3
247.20605	3.3
257.19012	7.2
267.15936	31.9
275.20099	100.0
285.17041	5.9
293.21088	6.0
349.23715	46.4
355.17456	4.5
408.79977	2.9
411.20358	4.0
413.17871	9.1
429.21310	38.5
467.31491	3.1
503.37137	4.3
541.35370	54.4
549.26550	6.0
559.36206	19.4
661.33459	4.3
703.40717	49.3
721.37701	87.7
722.38202	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	720.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	1.0
53.03937	3.3
54.08083	1.0
55.01873	2.0
55.05510	13.9
57.03204	1.1
57.03443	13.9
57.07081	32.7
59.04991	1.0
60.85735	0.8
61.02929	4.3
67.05507	25.5
69.03421	3.3
69.07068	10.4
71.04991	2.9
71.08246	1.4
71.08631	24.3
73.02929	1.4
79.05494	18.7
81.03422	48.2
81.07056	32.4
83.04984	13.1
83.08624	26.0
85.02910	20.7
85.06545	1.8
85.10183	13.8
85.96736	0.8
86.09707	4.8
89.06013	2.3
91.04910	1.4
91.05483	25.2
93.07055	12.2
95.04968	17.5
95.08611	20.9
97.02877	5.2
97.06530	3.8
97.10168	8.5
98.21560	1.6
99.08077	1.1
103.07578	1.5
105.07036	15.0
107.04971	4.2
107.08597	5.1
109.06516	3.5
109.10168	9.1
111.04461	2.3
111.08048	6.4
113.05997	1.8
115.05478	1.2
117.07011	1.4
119.08581	13.9
121.06515	1.5
121.10157	6.7
123.08086	1.4
123.11700	4.0
125.00008	2.3
129.07014	9.1
131.08568	8.8
131.69875	1.0
133.06470	2.5
133.10143	9.7
135.11690	1.1
137.13316	1.2
142.07770	2.1
145.10101	2.2
147.08086	1.9
147.11685	9.8
149.09604	4.8
157.10126	11.8
163.11154	1.8
165.12759	2.8
175.11185	9.8
184.07368	14.9
193.12248	33.5
194.12639	1.3
211.13303	58.7
227.20000	2.0
228.20174	1.1
239.23688	1.7
257.24698	1.6
267.15939	18.2
285.16977	69.0
286.17285	1.5
313.27377	75.7
314.27798	1.3
465.35901	1.1
505.38840	16.3
523.39954	100.0
524.40131	4.0
526.82770	1.2
609.80457	0.9
623.27728	1.2
720.34253	2.7
739.27307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.49
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41950	1.6
52.42228	1.5
54.58737	1.4
55.01881	2.0
55.05519	11.9
57.03442	11.5
57.07082	32.8
60.08162	2.1
61.02918	3.2
67.05508	19.1
69.03429	3.2
69.07071	8.9
71.05012	2.4
71.08635	25.0
71.32512	1.5
79.05496	15.7
81.03428	39.5
81.07059	24.9
83.04988	8.3
83.08624	19.3
85.02910	16.9
85.06523	1.7
85.10186	11.7
86.09702	6.7
91.03951	1.9
91.05494	17.2
93.07057	10.9
95.04983	14.4
95.08618	22.3
97.02885	3.8
97.10166	6.2
105.07053	12.1
107.04947	4.4
107.08588	4.4
109.06515	3.9
109.10195	9.2
111.04451	1.9
111.08051	5.4
113.06013	2.1
119.08594	10.6
121.06526	1.7
121.10174	8.0
123.08044	1.9
123.11710	3.3
125.00002	2.5
125.09632	1.7
129.07013	4.7
131.08571	3.7
133.10129	6.9
135.11722	1.7
145.10130	2.7
147.11707	9.6
149.09662	3.6
157.10135	8.6
175.11159	7.8
184.07361	19.9
193.12267	24.2
211.13306	33.3
217.64238	1.5
230.31805	1.6
239.23714	1.9
267.15921	16.5
285.16998	42.8
313.27408	85.8
314.27646	2.9
333.74237	1.7
505.38889	17.3
523.40015	100.0
524.40125	4.3
720.46484	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
61.68692	0.5
67.05505	1.1
67.36264	0.5
71.50692	0.8
79.05476	0.7
81.07046	0.8
82.43225	0.6
89.06047	1.2
91.05467	0.9
93.07056	0.7
119.08587	0.7
184.07425	1.0
209.10909	0.9
223.08658	0.8
223.12404	1.3
224.13248	1.1
225.10246	1.0
225.13898	2.7
226.14799	0.8
227.20216	0.6
237.06671	0.7
237.10022	0.7
237.13977	1.8
238.14642	0.9
249.13907	1.1
251.08270	1.7
260.88171	0.5
275.15433	1.2
277.06192	0.7
314.13013	0.9
395.16232	0.6
403.15366	0.7
405.20795	1.2
417.16803	4.3
418.17905	2.1
419.18524	0.9
428.15640	0.6
431.18851	2.5
432.19415	2.8
433.19943	4.1
438.01840	0.6
445.16382	0.9
446.21310	0.9
447.21951	10.9
448.22543	0.9
449.19937	0.9
459.17593	0.9
460.18698	1.3
461.19125	0.9
462.20169	0.8
474.20786	0.7
475.21362	24.2
476.21988	4.3
477.22998	0.7
487.21216	1.4
489.22977	1.7
493.22720	0.8
503.19965	2.8
507.23560	0.7
519.24139	1.5
535.23364	16.8
536.23993	0.8
547.23029	3.3
549.25116	2.0
561.25000	5.0
562.25604	3.4
563.26300	3.2
579.25964	0.8
590.24835	0.8
607.25800	1.1
621.27130	7.5
622.27869	100.0
623.27930	4.9
719.34186	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01881	0.6
55.05521	1.5
57.03436	2.0
59.82561	0.4
61.02935	4.2
61.65785	0.4
64.22331	0.5
64.38354	0.4
67.05507	4.1
69.03429	2.3
69.07075	0.8
69.35231	0.4
70.05940	0.5
71.04985	0.9
71.50072	0.6
71.50484	0.5
72.10081	0.5
73.02930	3.5
79.05493	4.9
81.03425	4.1
81.07057	3.6
83.04980	0.8
83.08622	1.2
83.34051	0.4
85.02910	5.3
91.03976	2.3
91.05468	2.7
91.83665	0.4
93.07048	4.0
95.05001	1.3
95.08604	1.5
97.02876	4.0
97.06553	0.5
99.04475	0.6
101.02402	1.8
105.07071	2.7
107.08616	1.4
109.02947	0.6
109.10152	1.2
119.08598	2.3
121.10159	1.6
127.03946	0.9
129.07030	0.6
131.08586	1.0
133.10146	1.5
145.10161	0.6
147.11711	1.2
149.47626	0.5
157.10147	0.6
175.11200	1.0
184.07379	0.8
187.36650	0.5
193.12328	2.0
211.13313	0.6
228.48361	0.5
243.08488	1.7
251.12482	0.7
307.22620	0.5
408.49222	0.5
469.20416	6.6
486.91486	0.5
491.26349	3.3
521.91742	0.6
719.39752	100.0
720.39856	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.0
53.03949	5.4
55.01866	3.7
55.05514	24.8
57.03439	19.7
57.07061	3.6
61.02922	6.8
65.03929	3.2
67.05508	57.5
69.03423	4.1
69.07066	19.2
69.39780	2.3
69.40186	6.1
71.04981	6.9
73.02901	1.8
79.05497	31.5
81.02939	2.3
81.03421	52.9
81.07060	67.8
83.04990	15.0
83.08163	2.0
83.08623	25.2
85.02906	28.0
85.06538	4.0
86.09706	3.6
91.03967	1.4
91.05490	34.6
93.07047	23.8
95.04977	24.5
95.08614	31.5
97.02901	5.8
97.06533	6.3
97.10190	5.3
99.08105	4.3
102.67011	1.0
105.07037	25.3
107.04953	5.4
107.08594	12.9
109.06518	5.9
109.10154	12.9
111.04433	2.2
111.08079	9.2
113.05997	2.4
117.06977	1.2
119.08575	20.8
121.06477	2.2
121.10142	14.5
123.08079	3.7
123.11688	8.2
125.00008	3.2
125.09621	2.4
129.07028	9.5
131.08572	10.1
133.10138	12.4
135.11716	5.3
137.09607	2.1
137.13235	3.0
139.11192	1.1
142.07793	1.7
145.10088	1.9
147.08043	2.5
147.11703	14.5
147.55750	1.0
149.09653	5.3
151.11284	1.5
151.14836	1.7
157.10156	12.5
161.13245	3.0
165.12808	2.7
175.11201	12.1
175.14793	1.2
183.63989	1.1
184.07344	13.5
185.07555	1.1
187.14888	1.2
193.10466	1.7
193.12248	38.0
211.13303	66.2
217.19540	6.1
235.20566	5.1
259.15494	2.4
267.13318	2.0
267.15936	16.3
267.45618	1.2
285.16974	100.0
286.17398	1.6
309.24246	69.8
335.25723	1.8
345.14835	1.1
415.63431	1.2
427.31522	1.3
501.35895	10.1
519.36859	97.6
520.36975	4.3
717.38367	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	717.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05508	1.9
57.03428	1.6
57.07039	0.4
61.02935	4.5
63.27620	0.3
67.05505	5.2
69.03433	2.9
69.07071	1.1
71.01341	0.5
71.04956	0.5
71.50921	0.4
71.90313	0.3
73.02911	3.8
79.05483	3.2
81.03407	1.5
81.07063	4.9
83.04990	0.4
83.08623	1.0
85.02911	4.7
86.09705	1.3
89.06021	0.4
91.03954	2.6
91.05483	2.3
93.07047	5.3
95.04947	0.4
95.08607	3.9
97.02906	4.6
97.06494	0.6
97.10203	0.7
99.04474	1.1
101.02385	1.6
105.07049	1.3
107.08614	2.2
109.02898	0.9
109.10169	2.0
117.07030	0.7
119.08586	0.7
121.10152	1.2
125.00024	0.7
127.03935	1.0
131.08647	0.6
133.10104	0.9
135.11708	2.6
138.40691	0.4
145.10175	0.7
159.11636	0.7
163.11119	0.5
184.07347	3.3
185.04282	0.7
185.07640	0.6
195.00331	1.2
204.87567	0.4
221.11606	1.1
241.07207	0.4
243.08449	1.6
301.77942	0.4
335.25873	0.8
378.80716	0.4
439.19440	4.2
497.31131	0.6
519.29437	8.3
536.02759	0.4
545.37891	0.9
717.41858	100.0
718.42249	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	714.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
54.32520	0.7
55.05513	7.1
55.52354	0.7
56.05020	3.4
57.07078	3.7
58.53620	0.6
60.04521	1.7
61.21264	0.7
67.05507	12.2
69.03423	1.3
69.07072	8.2
69.84940	2.4
69.85352	1.1
70.06583	2.0
71.08624	2.2
79.05490	10.4
80.04999	3.2
81.05775	2.2
81.07056	9.9
82.06574	7.3
83.04938	0.8
83.08630	4.8
85.02896	1.7
87.86118	0.7
91.05479	9.0
93.07054	8.4
94.05961	1.0
94.06570	19.7
95.07358	8.3
95.07912	1.1
95.08017	1.0
95.08604	8.3
95.41196	0.6
96.08141	6.2
97.02888	1.4
97.10162	2.8
105.07047	4.9
107.08598	4.5
108.08107	3.6
109.10151	3.2
110.09648	0.7
117.73400	0.7
119.08566	5.7
121.10138	5.8
122.09659	2.8
123.11738	1.0
133.10110	4.6
135.11679	3.5
136.11226	0.9
143.73958	0.7
147.11662	0.9
149.13237	0.8
233.22664	2.9
245.22711	4.8
250.25287	7.1
254.24838	1.3
262.25308	100.0
263.25659	2.2
272.25848	4.6
280.26385	6.4
312.25479	0.7
417.50845	0.9
504.47778	5.3
516.47791	26.1
517.48242	1.2
518.49182	4.9
534.48737	15.1
696.53455	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26944	0.6
55.01852	0.6
55.05509	1.4
56.05028	1.0
57.03430	0.6
60.08165	6.6
61.02914	0.5
67.05507	6.7
69.07051	1.7
71.07381	3.4
75.64060	0.6
79.05482	3.2
81.07055	4.7
83.08634	1.1
86.09709	32.8
91.05464	2.2
93.07030	2.7
95.08615	3.2
98.98457	3.7
104.10738	2.3
105.07011	1.6
107.08582	2.1
109.10182	4.0
119.08557	1.7
121.10141	1.4
124.99102	1.2
125.00014	23.3
131.08597	1.0
133.10181	1.3
135.11685	1.0
145.10176	0.8
147.11617	1.3
159.11739	0.8
165.12798	0.5
173.11864	0.7
184.07349	100.0
185.07637	0.8
209.52290	0.5
229.14374	6.7
239.16454	0.7
255.57005	0.5
261.22174	1.7
335.25793	6.3
489.35953	3.1
499.37598	0.6
517.38678	1.7
714.46808	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05519	7.1
56.05049	4.9
57.07068	2.2
58.06602	0.7
60.04516	1.6
67.05513	10.3
68.05038	0.6
68.61996	0.7
69.03426	0.9
69.07079	6.1
70.06593	2.3
70.75277	1.7
71.08630	0.9
73.11279	0.7
79.05500	10.9
80.05028	2.3
81.03409	0.8
81.05797	1.9
81.07066	10.3
82.06584	9.0
83.08633	4.6
85.02903	2.2
91.05490	8.3
93.07045	8.5
94.05966	1.1
94.06575	18.6
95.04972	1.2
95.07359	8.7
95.08629	7.3
96.08142	5.3
97.10172	2.3
105.07037	6.4
107.07365	0.9
107.08616	4.6
108.08101	2.1
109.10155	2.6
111.11715	1.0
119.08598	5.4
121.08816	0.7
121.10159	5.4
122.09666	3.2
123.11751	0.7
126.00199	0.7
127.12820	0.7
131.73970	0.7
133.10150	2.9
135.11670	3.2
136.11143	1.0
147.11673	1.5
149.07594	0.8
149.13266	0.7
161.13235	1.0
223.57040	0.7
233.12219	0.7
233.22632	3.5
242.18100	0.7
245.22643	4.0
250.25354	6.9
262.25323	100.0
263.25714	1.9
272.25885	4.0
280.26300	6.6
357.65781	0.9
504.47781	4.5
516.47815	28.4
517.47980	2.0
518.49219	4.9
534.48828	18.2
637.26880	0.8
696.53516	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	714.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
56.05032	0.9
57.03425	1.2
60.08167	5.6
63.77363	0.6
67.05514	7.8
69.07047	1.2
71.07378	3.7
71.54161	0.6
79.05486	2.5
81.07063	3.8
83.08601	1.2
86.09714	34.2
90.02224	0.7
91.05460	1.9
93.07037	1.7
93.54663	0.6
95.08628	3.3
97.10159	1.0
98.20708	1.1
98.98481	3.5
104.10741	2.1
105.07027	1.0
105.71724	0.7
107.08585	2.7
109.10170	5.7
111.08016	0.7
111.17014	0.7
119.08578	1.5
121.10115	1.5
125.00019	20.3
131.08588	1.0
133.10185	0.9
135.11720	1.1
145.10107	0.8
147.11682	1.3
149.13152	0.6
155.10680	1.3
163.35181	0.6
173.11722	1.9
173.13214	0.9
175.68408	0.6
184.07352	100.0
185.07677	1.3
195.00311	0.9
212.87189	0.8
227.12827	0.7
229.14362	11.2
261.22137	2.8
335.25830	9.9
358.07150	0.8
379.40744	0.7
402.18100	0.7
412.69241	0.7
489.35928	3.8
513.20349	0.7
517.38556	2.0
640.33362	0.6
714.46832	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
56.05042	0.6
57.03447	0.4
57.24046	0.4
58.06619	0.4
60.07896	0.4
60.08169	6.1
67.05521	1.9
68.18361	0.3
69.07065	0.7
71.07371	3.7
71.50697	0.4
79.05492	0.7
81.03426	0.6
81.07054	1.8
82.07395	0.3
83.04988	0.4
83.08615	0.7
86.09711	29.5
87.10023	0.4
91.05504	0.6
93.07037	1.1
94.07364	0.4
95.08599	1.1
98.98475	2.9
104.10766	2.3
105.07051	0.5
107.08600	0.9
121.10064	0.4
121.31052	0.4
125.00010	21.8
129.93318	0.4
131.08556	0.3
133.10049	0.4
135.11626	0.6
175.75179	0.3
184.07350	100.0
185.07668	0.5
194.53549	0.3
195.00325	2.3
255.16037	0.5
474.21912	0.3
517.38007	0.5
542.35303	0.5
543.36615	3.6
633.56854	0.4
638.64667	0.4
714.35370	0.4
714.47144	5.9
715.37445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
54.99857	1.8
55.01867	3.1
55.05511	28.4
56.73437	1.6
57.03439	23.8
57.07072	1.5
61.02920	5.4
65.03931	3.4
67.05508	64.3
69.03423	7.3
69.07075	14.2
69.30062	14.5
71.05000	5.9
73.02914	3.9
79.05497	63.4
81.03419	63.9
81.07058	65.9
83.04981	21.0
83.08620	30.8
85.02910	34.7
85.06542	4.4
86.09687	3.5
89.82498	1.7
91.03953	1.9
91.05482	55.6
93.07050	63.0
95.04974	29.4
95.08612	31.9
97.02895	7.7
97.06509	5.2
97.10158	4.3
99.08093	3.9
105.04543	2.8
105.07035	36.7
107.04958	7.5
107.08598	20.4
109.06512	5.1
109.10163	12.3
111.04480	2.3
111.08099	10.0
113.06007	2.1
117.06999	7.1
119.08585	30.9
121.10150	28.8
123.08063	5.7
123.11708	5.9
125.09653	2.5
129.07011	12.8
131.08588	19.5
133.06494	2.3
133.10124	18.8
135.11696	14.6
137.09605	2.9
142.07765	4.4
143.08554	2.3
145.10112	8.3
147.08015	4.5
147.11688	21.2
149.09605	6.4
149.13261	7.4
157.10158	14.5
159.11705	7.0
161.13260	2.3
165.12848	4.0
171.11647	1.8
173.13263	4.9
175.11189	17.9
184.07332	7.5
189.16322	2.1
193.12244	58.5
211.13290	88.0
215.17932	16.3
227.66988	1.7
233.18980	13.2
267.15976	16.8
285.16968	98.6
286.17316	3.1
295.88272	1.8
307.22681	85.3
308.23138	2.8
407.29330	2.3
412.67587	1.7
499.34210	9.7
517.35291	100.0
518.35291	3.4
539.26483	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54137	0.6
53.03941	0.9
55.05520	0.8
57.03445	0.9
57.08204	0.6
59.05000	0.7
61.02929	3.0
67.05504	3.3
69.03423	1.8
69.07049	0.6
69.42681	0.5
69.51067	4.4
71.05001	1.1
73.02925	2.2
79.05495	3.2
81.03422	3.4
81.07048	4.5
83.04988	0.8
83.08630	1.0
85.02914	4.6
91.03950	1.6
91.05499	2.6
91.44311	0.5
93.07043	3.8
95.04980	1.5
95.08594	1.5
97.02905	2.9
97.06531	0.7
98.21516	0.9
101.02382	1.2
105.07058	1.6
107.08597	2.8
109.02885	0.7
111.08016	0.7
117.07008	0.7
119.08595	1.6
121.10166	1.8
127.03977	1.0
129.07034	0.6
130.44305	0.6
133.10135	1.1
137.05972	0.7
147.11732	1.1
149.09622	1.0
149.13324	1.9
157.10149	1.0
159.11748	1.1
177.12741	0.7
193.12332	1.0
230.24870	5.1
235.13150	0.9
243.08481	1.7
267.15973	0.9
283.15234	3.4
303.04904	3.0
339.17786	1.2
387.86060	0.6
453.21039	8.4
458.25830	0.6
501.23163	8.8
570.48395	0.6
713.37250	100.0
714.37653	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	714.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01864	3.9
55.05509	16.2
57.03436	16.9
58.43185	1.5
59.05006	1.3
61.02916	4.3
65.03931	2.8
67.05505	68.8
69.03427	3.4
69.07069	14.4
71.04977	4.2
79.05493	41.6
81.02938	1.9
81.03422	49.4
81.07056	52.7
83.04982	5.5
83.08633	6.8
85.02908	16.4
86.09695	2.8
91.03980	2.0
91.05485	81.0
93.07044	55.3
95.04949	7.2
95.08611	53.9
97.02896	4.9
97.06527	3.4
97.10181	2.8
99.04440	1.6
105.07024	20.0
107.04929	2.0
107.08593	24.5
109.06514	2.1
109.10155	30.9
111.08076	2.3
117.07031	11.1
119.08588	90.6
121.06524	6.3
121.10144	20.1
123.08067	2.7
123.11720	5.3
124.85180	1.3
125.09631	2.0
129.07008	5.4
131.08553	11.1
133.10159	7.9
135.08058	1.7
135.11719	9.1
137.09624	40.8
137.13246	1.7
143.61061	1.8
145.10100	4.4
147.08081	10.0
147.11697	5.4
149.13306	6.9
157.10234	1.8
159.11696	5.7
161.13274	4.3
163.14848	2.7
165.09109	34.4
173.13284	5.0
175.14754	1.9
183.10175	17.4
183.11655	2.7
184.07379	6.8
185.13216	1.9
187.14861	3.0
194.09732	1.4
197.13176	1.9
199.09671	1.5
201.16377	1.9
229.60063	1.9
239.12779	17.7
243.21017	4.6
257.13840	61.7
261.22171	14.2
307.22668	1.6
314.81259	1.4
317.24844	3.3
335.25797	100.0
336.26089	3.4
407.29144	2.5
425.30383	2.7
464.24478	1.4
499.34158	15.8
517.35284	96.0
518.35309	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05512	1.1
57.03440	1.6
61.02934	4.4
67.05506	4.0
69.03433	3.0
69.07074	0.9
71.04989	3.6
71.50331	0.8
73.02927	2.8
77.03901	0.6
79.05491	3.3
81.03425	3.8
81.07066	6.2
83.04995	1.0
83.08618	1.1
85.02913	5.9
85.06568	0.9
87.04484	0.6
91.03977	2.0
91.05491	3.8
93.07028	2.8
95.05005	1.5
95.08636	1.7
97.02895	3.9
97.06578	0.8
97.10131	0.7
99.04462	0.8
101.02397	1.3
105.07063	2.4
105.91975	0.5
107.08619	2.2
109.02914	1.3
109.06493	1.0
109.10187	1.1
115.82769	0.6
119.08604	1.5
121.10192	1.5
123.11740	0.9
127.03950	1.5
131.08607	1.2
133.10168	2.4
137.06017	0.7
145.10188	0.8
147.11780	0.8
149.09749	0.6
149.13309	0.6
151.11197	1.3
159.11707	0.9
175.11221	0.8
187.13358	0.6
193.12300	1.3
237.51767	0.5
243.08469	2.3
251.12605	1.3
267.15619	1.0
283.06427	1.3
303.04987	3.8
307.15427	0.6
353.61371	0.5
411.79697	0.6
430.76785	0.5
453.20752	0.8
469.20630	5.3
483.06070	0.6
485.23645	6.3
501.23840	0.8
503.03537	0.6
641.31598	1.7
687.70862	0.6
713.37238	100.0
714.37152	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	713.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01871	0.5
57.03428	0.5
57.97752	0.2
59.40409	0.2
61.02911	0.6
67.26420	0.2
68.99799	0.3
69.03436	1.9
69.19942	2.1
71.04987	0.3
73.02907	0.5
81.03426	1.9
85.02917	4.5
87.00790	0.3
93.03418	0.4
97.02892	1.6
97.39077	0.2
99.04469	0.6
100.71280	0.2
109.02903	1.6
111.00790	0.8
121.02857	0.8
127.03923	2.5
135.04449	0.3
137.02359	3.7
137.05960	0.3
145.04988	1.1
148.89304	0.2
149.02357	0.6
153.01823	3.8
159.02924	0.3
161.05998	0.3
163.03894	0.7
165.01860	2.1
173.06010	0.3
183.02917	0.7
187.03946	0.2
191.03387	0.2
201.05504	1.4
205.04863	0.2
218.38341	0.2
229.05005	3.7
247.06099	0.7
257.04477	2.9
260.69873	0.2
274.04773	0.8
285.03937	1.1
303.05014	100.0
304.05356	1.6
345.06241	0.3
465.10385	3.3
551.10382	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	713.1564
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
51.82219	0.2
53.03951	1.5
55.01879	1.1
57.03424	0.7
57.03681	0.2
57.21611	0.2
61.02912	0.7
68.99789	1.0
69.03434	4.8
69.80080	0.8
71.01363	0.2
71.04977	0.6
73.02925	1.0
81.03426	5.7
85.02911	9.7
87.00836	4.5
91.03967	0.4
95.04952	0.4
97.02322	0.1
97.02894	3.7
98.20808	0.2
99.04461	1.5
103.05463	0.2
105.01870	2.8
105.74451	0.2
109.02891	4.7
111.00787	0.7
117.01843	0.9
121.02892	1.0
123.04429	0.2
127.03928	7.6
129.01849	0.4
131.04901	0.3
135.04420	0.2
137.02353	2.6
137.06006	0.3
145.04971	3.2
145.06267	0.2
145.06479	0.2
147.02925	0.4
149.02338	0.6
153.01828	3.2
159.02914	3.0
163.03908	0.6
163.07550	0.4
165.01837	1.8
173.06041	0.2
183.02921	0.8
183.04404	0.2
187.03841	0.3
201.05463	1.6
213.03818	0.3
219.06422	0.3
229.04980	4.2
231.04974	1.2
247.06000	0.7
257.04440	2.7
274.04745	1.0
275.05429	0.3
280.06870	0.2
280.79889	0.2
285.04041	1.3
294.07562	0.2
303.05002	100.0
304.05356	1.7
327.05075	0.2
339.80066	0.2
345.05927	0.5
386.64081	0.2
432.95044	0.2
465.10327	17.5
466.10477	0.5
551.10345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01857	1.0
57.03430	0.7
61.02925	0.8
61.32149	0.3
68.99784	0.9
69.03429	4.3
70.64466	0.9
71.04967	0.8
73.02909	0.9
81.03416	5.4
85.02907	7.7
87.00833	3.3
91.03934	0.4
97.02902	3.7
99.04445	1.7
105.01867	2.0
109.02891	4.1
111.00788	0.9
116.34961	0.3
117.01854	0.4
118.12463	0.3
121.02858	0.3
123.04416	0.4
127.03931	6.8
129.01857	0.5
131.54955	0.3
134.38161	0.3
137.02339	2.9
145.04971	2.1
146.54666	0.3
147.02937	0.4
149.02419	0.5
153.01836	3.1
159.02879	3.0
165.01881	1.7
183.02853	0.5
187.03867	0.3
188.67033	0.3
201.05472	1.3
225.47789	0.3
228.04201	0.4
229.04970	3.3
231.05045	1.2
247.05945	0.3
257.04523	2.2
274.04742	0.8
285.03961	1.3
303.05008	100.0
304.05310	1.6
345.06128	1.2
411.07169	0.4
432.76169	0.3
465.10355	11.5
466.10709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61873	0.9
53.03933	4.3
55.01870	2.0
55.05278	1.1
55.05515	17.3
57.03442	20.4
57.07080	1.7
61.02907	2.8
65.03934	1.9
67.05508	59.5
69.03435	2.0
69.06733	1.2
69.07075	14.2
69.24377	6.7
69.24780	2.8
71.01340	3.8
71.04984	4.2
78.83530	1.0
79.05498	49.3
81.03436	5.8
81.07061	42.6
83.04987	7.8
83.08604	5.3
85.02902	3.4
85.06540	4.8
88.04938	1.1
91.05487	24.7
92.25700	1.0
93.07051	61.9
95.04955	4.7
95.08611	29.4
97.02884	1.6
97.06530	10.3
97.10169	9.1
99.08109	2.2
105.04510	1.9
105.07035	11.2
107.07883	2.0
107.08599	37.5
109.06524	1.4
109.10159	15.5
111.08070	2.9
117.07027	7.0
119.08582	10.5
121.06525	1.3
121.10145	16.7
123.11682	3.4
125.09618	1.6
131.08591	5.2
133.10139	8.9
133.50386	1.0
135.11696	49.8
137.09586	1.7
145.10124	12.4
147.11696	2.9
149.13251	2.9
153.12721	3.1
159.11700	4.0
161.13335	2.3
163.11198	6.9
163.14819	2.6
173.13277	3.4
175.14836	1.5
181.12216	11.4
185.13066	1.2
187.14746	1.3
189.16415	1.1
199.13257	1.7
219.41653	1.1
223.27022	1.2
243.21066	4.1
253.14366	4.4
255.15927	100.0
256.16245	2.5
261.22131	14.1
272.36765	1.0
317.24704	2.5
335.25830	48.4
336.26022	2.5
423.32394	2.1
441.33322	2.4
515.37378	73.6
516.37561	3.2
533.38092	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90804	0.2
53.56659	0.2
55.05514	0.3
56.05038	0.6
57.07080	0.2
57.54548	0.2
58.06593	0.5
59.07421	0.2
60.07893	0.4
60.08167	6.2
67.05485	0.8
69.71647	0.7
69.72057	0.7
71.07375	3.2
79.05502	0.6
81.07066	0.6
83.04962	0.3
85.02888	0.2
86.09712	29.7
91.05489	0.4
93.07032	0.6
95.08607	0.5
98.98473	3.1
104.10742	2.2
105.07029	0.3
107.08601	0.2
119.08604	0.3
125.00012	20.2
147.11717	0.2
184.07355	100.0
185.07645	0.3
288.09409	0.2
288.99564	0.2
303.05011	0.6
452.23734	0.4
454.53845	0.2
705.90344	0.3
712.45673	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	710.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.7
55.05519	14.6
57.03438	13.5
60.46973	1.5
60.77337	1.8
61.02900	2.0
61.64321	1.6
62.46562	1.7
65.03945	2.0
67.05192	1.7
67.05509	20.8
69.03449	2.5
69.07049	5.2
71.04980	2.9
71.49893	2.0
71.50297	3.2
79.05502	22.6
81.03423	85.7
81.07059	24.1
83.04993	9.1
83.08629	19.6
83.15462	1.7
85.02904	14.7
86.09692	2.3
91.05489	23.9
93.07053	13.4
95.03348	2.0
95.04971	33.7
95.08627	11.0
97.02877	3.1
97.06531	4.3
97.10162	5.0
105.07040	21.7
107.04965	8.7
107.08599	10.1
109.06521	4.8
109.10162	2.8
111.04444	2.0
111.08074	6.6
115.05472	3.1
117.07048	3.1
119.08593	14.5
121.06514	3.8
121.10133	7.2
123.08047	4.3
125.09635	3.6
129.07010	11.8
131.04979	3.3
131.08575	14.5
131.60127	1.9
133.06477	6.4
133.10123	7.7
137.05972	3.0
137.09541	2.3
139.03903	2.0
142.07736	2.1
145.06499	5.3
145.10185	2.8
147.08006	4.2
147.11690	13.4
149.09608	7.6
157.10075	12.3
167.07097	2.3
169.06252	1.7
175.11215	14.7
177.05487	2.7
184.07350	7.5
193.12251	35.0
211.13251	15.7
219.13834	1.9
224.45937	1.9
249.14821	2.5
255.13835	3.5
259.12878	1.8
267.15939	100.0
273.14832	3.6
285.16980	20.4
309.10266	2.0
349.21545	3.5
367.22681	11.7
372.56796	1.9
385.23676	10.9
433.25946	16.2
441.26413	6.2
459.27454	66.0
477.28525	45.3
478.29102	2.0
495.29761	2.8
629.18713	1.9
711.25232	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	710.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
55.05508	0.6
55.37830	0.2
56.05030	0.6
57.03444	0.6
58.06377	0.2
58.06623	0.5
60.08170	5.8
60.70986	0.2
67.05513	1.1
67.58705	0.2
68.75934	0.2
69.07066	0.5
71.04985	0.2
71.07377	3.0
71.50001	0.3
79.04744	0.2
79.05502	1.2
81.03432	3.2
81.07080	1.1
83.04979	0.4
83.08624	1.2
83.09095	0.2
85.02903	0.6
86.09714	30.1
91.05490	1.8
93.07058	1.2
95.05009	1.1
95.08631	0.6
96.93445	0.2
97.02896	0.3
97.06574	0.3
98.98473	3.3
104.10760	2.4
105.07050	1.2
107.04972	0.4
107.08619	0.4
109.02869	0.2
109.06535	0.3
111.08087	0.4
117.06995	0.4
119.08566	0.8
121.10150	0.3
125.00015	20.9
125.09602	0.2
129.07010	0.3
131.08597	0.5
133.10115	0.6
135.08157	0.2
137.05969	0.5
138.41046	0.2
143.01074	0.3
147.11703	0.7
149.09547	0.4
151.11223	0.3
157.10103	0.6
163.03764	0.2
175.11180	0.3
184.07358	100.0
185.07709	0.6
193.12280	1.1
193.89702	0.2
204.54613	0.2
211.13301	0.8
240.21712	0.2
267.15921	2.2
285.16888	1.0
385.23648	0.6
459.27475	2.1
477.28433	3.3
495.29456	0.4
536.13422	0.2
660.35144	10.2
661.35028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01872	5.2
55.05517	19.2
57.03432	12.9
57.07072	9.4
67.05508	100.0
69.03428	10.0
69.07077	20.4
71.04985	16.9
71.50451	3.2
79.05496	40.2
81.03432	31.5
81.07060	53.4
83.04987	23.4
83.08617	13.5
85.02898	3.2
85.06523	2.8
86.09708	4.4
91.05492	32.4
93.07049	38.9
95.04980	11.4
95.08611	30.0
97.06536	6.5
97.10172	9.7
98.98466	6.5
99.04447	3.6
99.08073	2.9
105.07041	14.9
107.04932	4.0
107.08624	16.5
109.02887	4.9
109.06535	5.0
109.10165	51.1
111.04453	5.3
111.08125	2.8
112.36841	2.7
117.07017	8.4
119.08577	16.5
121.10163	19.3
123.08112	4.1
123.11704	6.7
124.99999	5.8
127.03938	3.4
129.05414	4.8
129.07010	3.8
131.08572	12.6
133.10175	14.8
135.11702	19.5
137.09639	8.3
143.08591	6.2
145.10158	10.0
147.11714	7.6
149.13271	4.0
157.10136	5.9
159.11752	6.2
161.13272	3.7
163.11188	10.1
165.12752	3.7
171.11644	3.3
173.04506	5.5
173.11746	10.3
173.13257	5.8
184.07309	15.7
185.13196	3.5
211.13252	4.8
227.12735	4.7
229.14337	7.8
239.14357	3.9
243.16075	3.3
255.23238	10.3
261.22318	3.7
267.15948	9.1
271.15622	3.2
295.08356	3.1
335.25824	26.4
337.27374	15.0
375.26807	3.3
422.92587	3.2
431.22302	3.4
465.35706	5.7
489.35709	39.7
491.37234	14.6
503.37979	4.4
515.37146	10.4
529.39069	4.4
537.37787	7.5
547.40155	22.7
583.35565	4.5
611.46332	5.1
613.92242	3.1
659.41876	4.1
684.77667	3.0
691.44043	7.4
709.36969	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	709.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01862	0.4
55.05512	1.5
56.39811	0.2
57.03441	0.3
57.07076	0.3
65.03934	0.4
67.05508	5.0
68.99786	0.6
69.03432	2.3
69.07078	1.1
69.14664	2.2
71.04988	0.4
79.05497	3.9
81.03419	3.3
81.07061	4.3
82.66367	0.2
83.04993	0.4
83.08601	0.7
85.02898	1.1
91.05486	2.9
92.05762	0.3
93.07043	3.6
95.04968	0.6
95.08611	3.7
96.08955	0.2
97.02884	1.8
97.06505	0.4
97.10161	0.2
98.20727	0.4
99.04414	0.6
105.03369	0.3
105.07037	1.9
107.04948	0.5
107.08599	2.3
108.77328	0.2
109.02872	1.1
109.06474	0.2
109.10160	1.3
111.00810	0.6
111.04457	0.2
117.07046	1.0
119.08582	1.9
121.02870	2.9
121.06512	0.3
121.10148	1.5
123.11681	0.5
125.09708	0.2
127.03910	0.7
129.07008	0.4
131.04869	0.2
131.08549	1.1
133.02864	0.4
133.10091	1.1
135.08058	0.3
135.11696	1.3
137.02321	0.8
141.06976	0.2
143.08549	0.5
145.06509	0.4
145.10110	0.9
147.04428	0.8
147.11676	0.9
149.09612	0.2
149.13239	0.7
153.01840	4.0
157.06479	0.4
157.10165	0.3
159.11629	0.6
161.13278	0.3
165.01845	1.8
171.04375	0.3
173.13316	0.5
175.14801	0.2
181.10129	0.2
183.02928	0.7
183.48376	0.2
185.05988	0.5
185.13246	0.3
187.14857	0.2
199.14702	0.2
213.05522	1.3
231.06555	0.6
241.04964	1.0
245.48068	0.2
258.05286	1.2
259.06094	0.3
261.22198	0.8
271.94205	0.2
287.05508	100.0
288.05994	1.4
299.05405	0.2
329.06439	0.3
369.24319	0.3
480.75906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.1
57.06834	3.8
57.07081	47.3
67.05500	24.1
69.07059	11.0
70.07417	3.7
70.73363	2.9
79.05491	16.5
80.05825	4.3
81.07057	19.2
83.08587	5.1
91.05487	16.3
93.07040	15.8
94.07392	3.1
95.08604	17.7
96.08924	2.9
97.10202	3.2
98.20752	6.8
105.07020	11.5
107.08592	10.5
109.10157	7.5
113.00026	14.5
117.06962	3.2
119.08575	14.7
121.10147	8.8
131.08595	6.1
133.10147	7.5
143.08568	3.7
145.10147	7.7
147.11681	8.2
149.13174	3.0
153.06847	3.4
159.11617	3.1
162.44441	2.8
169.02573	3.5
171.11778	3.4
173.13303	4.3
185.13254	2.8
251.04672	16.7
305.12610	2.7
318.24890	5.2
327.07813	100.0
355.47498	4.0
383.14142	53.1
439.20374	76.8
440.20413	4.5
495.26563	72.3
551.32867	50.6
596.47528	52.5
597.48633	9.1
607.29956	5.2
607.39099	92.4
608.39319	3.3
609.40045	4.5
663.45355	67.6
664.45300	5.9
708.47101	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	709.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23183	0.9
60.52367	0.8
69.03429	2.3
69.62610	4.3
69.63013	1.9
72.91616	0.8
77.42849	1.0
81.03419	1.5
81.66153	0.8
82.99867	1.4
83.06867	0.9
85.02914	3.8
95.04967	1.8
97.02897	3.0
98.20831	1.6
98.97591	4.6
101.00886	11.9
103.00639	1.2
107.50333	1.1
109.02888	2.3
111.04472	1.2
113.00879	3.2
115.02425	1.3
116.98639	1.2
119.01936	14.0
121.01665	1.2
121.02880	2.3
127.02424	3.7
127.03935	2.3
128.01353	1.0
131.01894	8.6
133.03474	1.6
137.06033	1.3
139.02475	2.2
142.64407	0.9
143.01909	16.9
144.01981	1.1
145.03487	9.6
145.05045	1.4
146.99507	1.4
147.01373	1.2
147.04430	2.5
153.01840	25.3
153.02979	1.9
153.03912	1.7
155.01917	11.2
157.01634	0.9
157.03488	6.3
158.99696	2.3
161.02953	13.1
162.03079	1.0
163.02711	1.6
163.03961	3.3
164.04305	1.0
167.01918	8.1
169.01851	1.2
169.03499	6.1
170.42117	1.1
171.03322	1.2
171.05042	5.1
173.02979	13.8
174.02939	1.3
175.02739	1.6
175.04527	1.4
179.01915	5.1
181.01863	1.1
181.03505	2.8
185.02965	33.5
186.03098	1.8
187.02750	4.0
187.04552	4.1
192.99832	1.7
197.02969	12.9
199.02762	1.4
199.04549	2.9
203.03989	7.6
205.03630	1.1
207.05170	1.1
209.02869	2.2
211.00897	24.5
211.04489	1.4
215.04018	9.0
221.05124	3.3
223.04640	1.3
225.06113	1.3
227.04076	7.9
229.01926	13.5
229.03723	0.8
235.00903	4.6
235.04544	1.7
237.02594	2.1
237.06223	1.6
239.03998	2.2
244.04346	1.8
245.05092	57.8
246.05263	4.7
247.02991	18.7
247.05025	9.0
249.02646	1.4
251.03923	1.6
253.02010	6.7
253.05603	1.3
255.03722	1.3
257.05063	4.0
257.13846	0.9
259.04779	2.0
261.02420	11.3
263.03763	1.8
263.06290	7.3
265.05930	1.7
267.03488	2.7
271.02982	14.7
275.06198	7.2
277.05841	2.3
279.03595	6.7
281.05179	3.7
285.04507	3.3
287.00604	1.5
287.06042	3.5
289.01828	2.2
295.03012	7.2
295.06546	2.4
296.03394	1.1
297.04495	5.5
299.06100	2.8
301.04242	1.5
303.03687	2.7
305.01801	1.8
305.04559	2.0
305.07211	5.2
307.02991	3.6
307.06628	1.2
313.04504	5.5
313.07108	1.1
319.03387	1.1
321.04666	6.2
323.02502	3.0
323.06177	9.8
331.03021	4.8
335.08319	2.8
337.04251	5.8
337.07614	1.5
337.98364	1.0
339.05621	14.7
341.03540	2.3
341.07202	4.3
348.06924	1.5
349.04047	6.2
355.05130	13.1
357.06754	3.5
359.04373	6.4
361.02545	1.5
365.09470	4.8
366.09354	1.1
367.05084	49.9
367.09116	9.5
368.05484	1.8
373.06137	1.5
381.10507	1.8
385.06143	40.0
386.06454	1.3
399.11426	2.5
427.07181	100.0
428.07535	2.6
439.07266	19.6
445.08325	22.4
451.07635	1.9
457.08289	14.3
468.09625	1.2
468.50336	1.0
469.08301	4.0
475.09329	8.5
487.09433	7.5
499.09122	1.1
505.11029	1.5
517.10242	1.9
519.04651	1.0
529.10516	14.9
547.11249	3.2
709.16547	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	708.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
55.01856	3.6
55.05516	22.5
57.03437	12.9
59.04981	2.1
61.02910	5.1
65.03952	2.4
67.01523	1.8
67.05511	63.9
69.03433	4.7
69.07069	12.5
70.74489	5.1
70.74823	1.8
71.05001	26.5
77.72153	1.9
79.05502	38.7
81.03426	53.3
81.07061	100.0
83.04977	10.4
83.08631	20.4
85.02916	25.0
85.06525	9.2
91.05486	47.5
91.37753	1.8
93.07043	28.0
95.04972	26.9
95.08615	16.7
97.02914	6.2
97.06540	10.1
97.10165	5.8
99.08105	3.3
105.07033	26.4
106.07287	1.7
107.04971	8.7
107.08605	16.0
108.28685	2.0
109.06535	4.6
109.10159	11.1
111.04443	2.3
111.08090	10.9
111.84702	1.7
117.07031	5.1
119.08585	21.4
121.06557	3.6
121.10145	9.9
123.08080	2.6
123.11698	16.6
125.09605	2.8
129.07056	9.6
131.08578	13.1
133.06537	2.2
133.10132	25.0
135.11682	3.4
137.09627	1.9
142.07825	2.4
145.10103	4.9
147.11693	15.2
149.09645	5.6
149.13263	5.9
151.11211	4.2
152.40248	1.8
157.10141	13.9
159.11717	4.6
163.11096	2.4
169.12248	2.5
175.11192	12.7
177.12770	2.6
187.13257	3.7
191.43158	2.3
193.12260	33.7
195.13847	3.7
211.13304	43.4
229.14311	4.6
267.15903	20.1
269.17468	13.4
285.16946	27.9
293.27850	2.0
301.20108	16.7
309.00473	1.9
337.75247	2.2
417.26294	2.0
435.27484	27.3
443.27759	3.9
453.28485	77.3
461.29062	42.8
467.30603	9.6
479.30051	56.1
493.31485	3.4
511.32874	62.2
530.62054	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25226	1.0
53.03945	2.3
55.01873	1.6
55.05520	6.3
57.03444	7.3
65.72333	0.9
67.05511	25.4
69.07078	7.8
69.84562	5.5
71.05027	1.9
79.05500	18.3
79.87011	0.9
81.03423	41.9
81.06596	1.8
81.07063	31.8
83.04981	4.6
83.08630	13.8
85.02914	2.0
85.06546	2.5
86.17297	1.0
91.04979	1.5
91.05489	14.9
93.07051	24.8
95.04984	13.2
95.08606	8.4
97.02892	1.6
97.06509	4.7
97.10162	2.4
98.21418	1.3
99.08084	1.2
105.07043	9.2
107.04960	1.8
107.08599	14.6
109.06523	2.1
109.10151	2.6
111.08105	7.4
117.07027	2.4
119.08588	6.8
121.06504	1.7
121.10159	10.1
123.08086	1.3
123.11715	2.3
129.06113	0.9
129.06984	6.1
131.08568	5.8
133.06508	2.4
133.10135	7.0
135.08031	1.8
135.11699	3.4
137.09636	1.5
142.07800	2.0
147.08026	1.6
147.11690	3.8
149.09634	3.7
149.13268	12.3
157.10146	5.7
159.11678	4.7
166.41518	1.0
175.11212	6.3
177.12833	2.3
193.12276	12.5
195.13773	5.0
211.13348	2.9
249.14923	1.2
267.15930	49.3
269.17490	44.8
287.05881	1.1
354.07166	1.2
435.27359	3.9
443.27756	1.8
453.28363	2.6
461.29025	100.0
462.29370	2.8
478.31796	1.4
478.82141	2.3
479.30399	3.2
503.30161	1.2
511.32736	4.7
554.96576	1.1
709.32294	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01871	19.6
55.05512	40.7
56.92927	2.3
57.03442	29.4
57.07066	3.4
59.04995	3.5
61.02936	10.2
65.03936	4.1
67.05508	60.3
68.80841	2.0
69.03429	12.3
69.07072	15.2
69.93938	4.7
69.94350	7.0
71.04989	7.7
73.02912	7.7
79.05499	51.9
81.03424	100.0
81.07055	54.0
82.04210	5.9
83.04982	32.9
83.08630	36.6
85.02445	3.1
85.02909	32.9
85.06548	4.0
90.50331	2.1
91.05483	60.0
93.07053	39.7
95.04972	44.9
95.08614	22.6
95.14822	2.2
97.02917	10.1
97.06528	9.3
97.10167	19.1
98.07324	7.3
105.07032	33.0
107.04966	16.9
107.08601	22.0
109.02970	2.1
109.06541	7.5
109.10169	16.8
111.04441	6.6
111.08069	14.9
113.06008	4.5
115.05450	4.7
116.04697	14.7
117.07008	6.1
119.08586	32.7
121.06508	5.4
121.10145	12.1
122.26177	2.1
123.08083	7.0
123.11709	4.4
125.09637	20.5
128.06241	2.7
129.05492	29.0
129.06992	19.0
131.08571	16.8
133.06465	5.7
133.10136	21.7
135.08060	6.6
135.11703	8.8
137.09633	5.2
140.34636	2.3
142.07733	5.3
143.07060	4.6
143.08461	2.0
145.06483	2.8
145.10109	9.8
147.08026	5.7
147.11710	22.5
149.09631	12.4
153.12740	5.2
155.10736	2.2
157.08615	13.1
157.10149	17.7
163.11122	14.0
165.12747	6.5
168.75819	2.2
171.10231	5.2
173.09723	2.3
173.11708	3.9
175.11179	21.7
181.12177	5.2
189.11253	6.0
191.10600	4.7
193.12253	73.4
199.13339	14.9
200.14113	3.5
209.11720	11.0
211.13300	95.9
215.43652	2.1
219.13605	2.1
222.79723	2.7
227.12819	14.7
229.14340	8.1
247.13437	3.5
255.16002	2.9
267.15918	32.2
278.06497	2.1
283.15363	12.7
285.16977	67.4
301.16473	65.0
409.25720	2.5
421.25790	3.2
439.26782	10.8
459.27567	4.3
475.26892	3.8
476.27457	2.9
477.28223	4.4
493.28052	20.5
494.28784	3.7
511.29086	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.05507	13.4
57.03443	3.9
57.07066	3.2
65.03945	2.7
65.06954	2.3
67.05506	44.0
69.07066	13.0
71.49762	3.3
74.08918	2.5
79.05503	42.8
79.05962	2.3
81.07069	44.9
82.11900	2.4
83.08604	9.4
87.04467	8.1
91.05496	24.5
93.07041	43.9
95.08614	31.7
105.07043	20.1
106.85720	2.5
107.08614	22.4
109.10168	13.7
113.00030	33.7
117.07021	6.2
117.51436	2.5
119.08574	17.5
121.10141	18.6
123.11706	3.1
129.07092	2.9
131.08574	16.4
133.10132	11.9
135.11676	9.0
143.08534	4.5
145.10114	11.1
147.11674	4.3
149.13266	5.0
157.10124	4.8
159.11697	10.3
161.13240	5.7
163.14758	3.8
169.02655	7.4
169.10179	2.4
171.11693	4.2
173.13289	7.6
175.14868	5.1
187.14848	5.7
208.22272	2.7
243.21088	7.2
256.33185	2.6
261.21973	12.0
317.24771	10.2
335.25778	10.8
398.94308	3.1
595.47211	100.0
596.47491	5.2
640.71838	2.8
707.46918	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	707.438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.5
55.01864	9.7
55.05274	3.4
55.05514	43.0
57.03425	11.9
57.07077	3.6
61.02951	3.1
65.03935	6.2
67.05504	99.4
69.03435	21.8
69.07065	22.9
69.39568	25.2
71.04979	9.2
71.08621	3.9
79.05496	72.2
80.76761	2.9
81.03424	98.6
81.06596	5.8
81.07059	100.0
83.04556	5.0
83.04988	46.0
83.08614	20.3
85.02890	17.8
85.06529	5.4
91.04977	5.4
91.05489	55.9
93.07050	66.6
95.04964	30.4
95.08614	56.2
97.02905	22.6
97.06522	11.6
97.10210	4.9
99.04468	6.4
99.08100	6.7
103.05448	3.7
105.04439	4.6
105.07025	52.5
107.04937	7.4
107.08603	38.9
109.02880	16.0
109.06522	9.5
109.10146	26.3
111.04446	25.8
111.08092	14.7
117.07041	16.8
119.08578	42.6
121.10148	34.8
123.04429	6.6
123.08042	6.3
123.11699	8.2
125.09663	3.4
127.03947	6.6
129.05470	10.2
129.07019	17.5
130.44113	3.3
131.08568	30.8
133.06468	3.9
133.10149	20.4
135.08018	6.0
135.11703	21.0
137.09598	7.8
141.07045	4.3
142.07819	4.2
143.08591	4.3
144.66728	3.0
145.06493	3.9
145.10139	19.5
147.08052	3.4
147.11699	26.1
149.09621	13.8
149.13229	9.8
153.12718	7.5
157.06496	3.2
157.10138	16.5
159.11665	10.3
161.05954	3.8
161.09622	3.5
161.13255	7.5
163.03883	14.3
163.11189	11.0
163.14828	4.0
165.12663	5.1
171.11719	7.3
173.02391	7.7
173.05893	3.1
173.13271	9.2
175.11192	9.5
175.14882	5.1
181.06476	3.9
181.10002	3.3
181.12231	9.5
183.11647	4.7
184.07343	10.0
185.05966	3.5
185.13248	2.9
187.03903	6.5
187.14793	4.5
191.10703	9.9
193.12285	32.0
201.05501	4.0
211.07536	4.0
211.13284	41.5
213.05443	7.3
214.13478	3.2
227.12791	18.0
241.19522	3.6
259.20706	5.6
261.22134	18.6
266.68130	3.6
267.13550	5.5
267.15906	9.0
277.21616	4.3
283.15399	11.3
285.17038	16.3
303.23090	4.2
311.12750	4.9
317.24725	4.9
333.24301	4.1
335.25821	24.9
337.27316	10.7
355.15417	13.8
357.16663	4.0
369.24231	6.6
387.25165	4.4
429.19101	16.1
527.37189	9.1
545.38794	22.1
593.43097	3.2
595.47040	11.1
615.36963	8.4
633.37744	6.0
653.40027	7.6
679.41394	6.2
689.41736	24.8
707.42120	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	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	3.4
53.03960	16.6
53.99683	3.2
55.01870	9.4
55.05519	31.7
57.03450	18.0
57.07073	3.1
61.02914	9.4
63.97386	3.2
65.03954	5.2
67.05508	90.3
69.03435	23.0
69.07069	22.5
69.23034	32.3
71.04998	10.3
73.02908	7.8
73.87854	3.2
79.05505	64.2
81.03427	100.0
81.06591	6.0
81.07061	87.3
83.04990	52.3
83.08635	25.0
85.02928	23.2
91.03975	3.5
91.05490	53.8
93.07052	63.5
95.04978	27.6
95.08612	49.6
97.02916	23.3
97.06532	8.1
97.10174	8.7
99.04466	7.8
105.07046	46.6
107.04959	9.6
107.08600	40.4
109.02879	16.5
109.06526	4.1
109.10168	18.8
111.04462	17.1
111.08073	11.7
115.05399	3.8
117.07013	12.2
119.08608	34.4
121.06487	5.3
121.10157	29.7
123.08035	6.1
123.11725	10.6
127.03918	13.4
128.06226	4.7
129.05492	19.4
129.07013	20.0
131.08589	26.0
133.06418	3.9
133.10133	18.5
135.11693	13.3
137.09698	4.4
143.08537	7.9
145.10106	16.5
147.08054	8.0
147.11681	27.5
149.09665	7.8
149.13281	10.6
153.12733	5.7
155.08466	4.3
157.10130	15.7
158.48579	3.4
159.11696	7.5
161.13228	5.6
163.11180	13.5
163.14874	4.7
165.12761	7.9
169.10146	4.5
171.11630	4.6
173.05988	4.5
173.09724	3.7
173.13257	5.7
175.11169	13.5
176.20143	3.5
181.12251	8.9
187.14804	4.2
191.10724	8.8
193.12288	43.3
211.13350	61.5
225.84515	3.7
227.12796	15.5
241.15746	3.6
261.22134	11.6
267.15839	8.3
283.06268	18.8
283.15411	7.1
285.16916	11.4
287.19687	3.8
301.07208	7.0
333.15207	5.0
335.25806	35.9
337.27457	7.5
363.25717	4.2
369.24313	7.1
387.25647	4.2
429.19916	8.0
453.34030	4.8
527.37170	8.1
545.38190	34.9
561.38293	4.1
563.39160	5.2
595.46478	3.9
679.43164	4.8
689.42456	25.2
707.41376	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	707.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.4
55.01871	10.1
55.05515	36.1
57.03431	17.9
61.02932	9.2
62.75455	3.8
65.03947	6.0
67.05508	84.5
69.03431	20.8
69.07075	21.6
71.04996	8.6
79.05499	62.4
81.03419	100.0
81.07063	81.1
82.70846	4.3
83.04983	43.9
83.08625	19.8
85.02912	23.7
91.05482	53.9
93.07051	64.7
95.04993	27.0
95.08610	61.0
97.02917	24.3
97.06545	9.1
97.10189	9.4
98.21556	7.4
105.07016	40.3
107.04984	6.2
107.08609	39.4
109.02882	14.7
109.10155	25.9
111.04446	21.2
111.08084	10.5
113.06004	4.0
117.07048	16.6
119.08590	33.0
121.06488	6.5
121.10136	22.5
123.04430	4.6
123.08119	4.4
123.11719	10.3
125.09658	5.7
127.03923	12.3
129.05484	12.2
129.07016	11.2
131.08594	24.8
133.06483	6.0
133.10146	17.5
135.08084	6.3
135.11745	14.3
137.09596	5.7
139.75616	4.3
143.08565	6.4
145.06445	5.6
145.10127	15.8
147.08041	7.4
147.11708	20.0
149.05974	5.7
149.09610	5.9
149.13203	4.3
157.10112	14.8
159.11703	10.2
161.13289	9.7
163.03891	4.4
163.11090	4.1
171.11699	6.3
173.13217	8.2
175.11182	8.5
181.12238	5.0
183.11639	4.6
185.13124	5.2
187.14815	5.2
191.10738	7.3
193.12292	33.3
209.11728	6.4
211.13303	45.2
227.12778	16.3
229.14377	5.0
229.86546	4.5
261.22159	15.0
267.15942	12.7
283.06308	16.6
285.16983	19.4
301.07257	6.5
333.15039	21.1
335.25739	33.4
337.27301	14.3
351.23444	4.9
355.15118	5.1
369.24167	7.2
427.19638	7.3
429.20862	8.7
470.09738	4.3
527.37378	11.4
545.38324	20.1
595.46906	4.4
610.74603	4.3
653.39935	8.4
671.40930	6.5
689.42908	20.0
707.42389	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.3
55.01856	8.5
55.05516	39.8
55.18677	2.4
57.03446	11.0
57.07061	4.5
57.39668	2.0
59.66720	2.1
62.35802	2.3
65.03918	5.6
67.05507	80.1
69.03434	25.2
69.07073	22.4
70.09496	5.1
70.09882	4.4
71.01345	2.9
71.05000	11.0
79.05494	60.4
81.03421	100.0
81.06608	4.2
81.07061	75.7
82.72556	2.1
83.04982	45.7
83.08614	29.2
85.02901	17.7
85.06542	3.3
91.05486	51.8
93.07047	62.6
95.04969	26.2
95.08608	49.7
97.02891	22.7
97.06525	7.5
97.10146	7.9
98.20810	2.4
99.04443	7.1
99.08090	4.5
103.03939	2.4
105.07027	39.4
105.65989	2.3
107.04973	10.8
107.08602	34.2
109.02891	12.7
109.06505	6.0
109.10178	24.4
111.04461	23.9
111.08080	14.7
113.06003	2.9
113.10347	2.3
117.07011	12.3
119.08597	33.0
121.06503	5.9
121.10139	30.6
123.08022	5.2
123.11717	5.5
125.09628	6.5
127.03894	10.5
129.05510	16.0
129.07031	13.8
131.08572	24.8
133.06445	3.8
133.10146	19.2
135.08051	2.7
135.11702	17.5
141.07053	2.4
142.75839	2.6
143.08556	5.1
145.06485	2.6
145.10141	12.4
147.08017	8.5
147.11687	25.5
149.09616	4.8
149.13255	7.0
153.12737	8.4
155.08508	4.7
157.06566	2.6
157.10159	12.5
159.11681	9.5
161.13287	4.0
163.11162	7.3
163.14798	3.6
165.12746	4.4
167.75662	2.2
169.10089	2.9
171.11678	3.4
173.09583	4.2
173.13240	7.9
175.11150	10.5
175.14798	3.8
177.12807	3.2
181.12192	8.5
183.11603	3.5
184.07390	6.6
185.09540	2.6
187.14742	3.4
189.12746	2.5
189.16501	2.3
191.10655	11.4
193.12263	41.6
195.13696	2.6
201.16293	3.0
209.11623	3.6
211.13284	74.0
211.15288	3.9
227.12666	15.2
229.14241	7.2
235.13329	2.6
259.20633	2.6
261.22107	14.2
267.15897	12.1
283.15363	9.8
285.17017	16.0
301.21646	3.6
311.49048	2.4
317.24908	3.8
335.25766	39.6
337.16446	3.6
337.27341	8.9
351.23022	3.0
355.17389	3.4
369.24283	5.7
387.25479	4.5
429.20886	7.1
459.39737	2.3
461.28967	3.1
466.26144	2.4
527.36993	9.0
545.38379	40.9
563.38751	4.5
653.40173	6.7
671.41119	5.3
689.42535	18.5
707.42975	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	707.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	0.7
70.47185	0.4
71.49017	0.5
72.14223	0.4
82.99883	1.3
85.02912	0.5
94.99867	0.4
95.81644	0.4
97.02879	1.0
101.00883	6.1
101.87265	0.4
102.96854	0.4
109.02886	0.7
113.00826	1.3
119.01927	9.3
122.01382	1.7
122.51585	0.4
127.02392	1.6
127.03933	0.6
128.01395	0.7
131.01912	4.9
131.52002	0.5
137.01904	1.9
137.02884	0.7
137.51964	0.4
139.02388	0.7
143.01903	18.8
145.03484	5.1
147.01334	0.7
149.01855	0.6
152.02380	1.3
153.03990	0.6
155.01892	10.6
157.03442	3.3
161.02962	13.6
163.04492	0.6
164.52548	0.5
167.01898	8.8
169.03441	2.5
171.01299	0.4
171.05037	1.8
173.02962	14.3
177.02440	0.5
179.01872	3.9
182.03433	0.5
185.02960	31.9
186.03101	0.5
187.04568	3.4
191.03992	0.8
193.03619	0.6
197.02974	13.6
199.04485	0.6
203.03984	10.6
203.05730	0.5
209.02928	1.4
215.04007	7.7
221.05130	1.8
224.04547	1.5
227.04037	8.7
233.05035	0.5
239.04088	1.3
245.05078	100.0
246.05191	2.4
254.05594	1.6
257.05087	5.6
263.06152	12.5
273.04517	0.5
275.06134	11.8
284.06680	2.8
284.56747	0.5
286.07513	0.5
287.06207	0.6
293.07095	2.8
305.07181	11.2
317.07306	0.9
335.08356	3.2
347.08270	1.7
365.09308	49.9
365.59592	0.9
366.09381	1.3
383.10321	1.3
407.10373	1.1
425.11420	35.4
426.11432	1.2
437.11563	2.6
455.12369	2.3
485.13489	0.8
522.44080	0.4
641.58472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40683	0.3
57.03418	0.4
69.03410	0.5
69.18552	2.2
69.18970	0.8
71.18645	0.3
73.02906	0.6
82.99846	1.4
85.02870	1.0
92.07146	0.3
96.06770	0.3
97.02897	0.5
98.20818	0.7
98.97598	0.4
99.02484	0.4
101.00887	7.8
109.02908	0.3
110.01431	0.3
113.00864	1.6
119.01926	7.4
122.01371	2.0
122.51456	0.4
127.02427	2.2
128.01343	0.6
128.51450	0.4
129.00316	0.5
129.03931	0.4
131.01910	6.0
131.51978	0.4
137.00966	0.4
137.01921	2.7
137.02899	0.6
137.51958	0.3
139.02388	0.8
143.01909	20.9
143.51932	1.0
144.01804	0.4
145.03476	6.1
145.04771	0.4
147.01315	0.6
149.01886	0.7
150.01811	0.4
152.02419	1.8
153.01775	0.5
153.03981	0.7
155.01884	11.1
157.03485	3.9
158.02466	0.5
161.02968	11.5
162.03105	0.4
163.04012	0.3
164.02370	0.5
167.01894	9.7
169.03479	3.0
170.02391	0.4
171.05052	2.3
173.02977	14.2
173.53041	0.8
175.04472	0.7
179.01834	5.2
181.03406	0.7
182.03410	0.5
185.02969	31.9
186.03088	0.7
187.04581	2.8
187.73212	0.4
191.01764	0.5
191.04071	0.3
193.53751	0.4
194.03455	0.9
194.53487	0.4
197.02968	12.5
198.03201	0.4
199.04440	0.6
203.04019	10.7
203.54079	0.9
209.02948	1.5
212.54565	0.3
215.04031	7.9
221.03107	0.3
221.05069	1.0
224.04559	1.2
227.04036	9.2
228.04214	0.3
233.04938	0.7
238.94298	0.3
239.03967	1.0
245.05089	100.0
246.05267	2.7
251.04605	0.4
254.05617	0.9
257.05081	5.4
263.06152	11.8
275.06119	12.6
284.06631	4.6
284.56702	0.9
287.06097	0.7
293.07144	2.4
299.06165	0.5
305.07190	9.8
317.07272	0.6
335.08279	4.3
347.08167	1.1
364.59625	0.6
365.09332	44.5
365.59418	1.0
366.09613	1.6
383.10614	1.9
407.10489	0.8
425.11438	36.5
426.11719	0.9
437.11563	2.4
455.12405	2.5
485.13608	0.7
491.64700	0.3
515.02472	0.3
654.12256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21111	0.4
65.30482	0.4
71.01686	0.9
82.99873	1.4
94.99877	0.5
95.40841	0.3
101.00886	8.1
109.02842	0.5
110.01376	0.6
113.00893	2.0
119.01918	7.0
122.01388	1.7
122.51432	0.6
127.02421	2.0
128.01382	1.0
131.01918	4.9
131.51985	0.8
137.01891	1.5
139.02419	1.2
143.01900	21.4
145.03470	6.0
147.01428	0.5
149.01906	0.9
152.02440	1.4
153.03925	0.5
155.00642	0.8
155.01903	12.3
157.03470	4.7
161.01573	0.6
161.02956	10.9
167.01884	10.5
169.03490	2.8
171.05049	1.7
173.02982	15.7
173.53004	1.0
175.04524	0.9
179.01851	4.6
182.03352	0.4
185.02962	30.4
186.03148	0.6
186.47800	0.4
187.04552	3.3
193.03488	0.5
194.03511	1.0
197.02959	11.5
199.04489	0.5
203.03976	10.8
209.02925	1.3
215.04031	7.5
221.05101	0.8
224.04544	1.3
227.03995	8.2
233.05020	0.5
239.04028	0.6
245.05080	100.0
246.05293	2.2
254.05602	0.8
257.05087	4.8
258.00089	0.4
263.06137	11.0
275.06155	11.6
283.06808	0.7
284.06601	3.4
284.56863	0.7
293.07349	2.3
305.07156	11.8
317.07144	0.7
335.08246	3.0
347.08240	1.3
364.59650	0.6
365.09311	44.4
366.09564	1.5
382.93619	0.4
383.10437	1.5
425.11429	31.6
426.11636	1.2
437.11401	2.0
455.12598	2.1
468.09885	0.5
485.13461	0.8
688.59424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.1
56.05040	0.8
57.07088	0.2
58.06625	0.5
59.07391	0.1
59.70526	0.1
60.08168	6.1
67.05502	0.4
69.15612	1.1
71.07378	4.0
71.08609	0.1
75.13912	0.1
77.56474	0.1
79.05483	0.2
81.03417	0.2
81.07059	0.2
83.04982	0.1
86.09711	30.7
87.04485	0.2
91.05491	0.3
93.07034	0.2
95.08591	0.2
98.98473	3.5
104.10748	2.6
109.10155	0.2
125.00013	21.2
129.07028	0.1
184.07350	100.0
185.07703	0.7
276.22357	0.1
343.53235	0.1
350.84177	0.1
425.26620	0.1
493.32416	0.1
496.34106	0.2
532.55518	0.2
544.08185	0.1
611.59302	0.1
706.46545	6.1
707.47217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
55.05515	11.5
57.03444	11.1
61.02926	1.5
65.03934	1.6
67.05509	18.1
69.03430	3.5
69.07066	5.8
71.04982	3.8
71.49090	1.5
73.85889	0.9
79.05500	20.7
81.03426	82.7
81.06593	1.5
81.07059	21.2
83.04992	9.9
83.08154	1.7
83.08626	23.2
85.02912	12.5
85.06554	1.3
91.04917	1.3
91.05488	26.2
93.06506	1.2
93.07054	14.8
95.04971	26.8
95.08617	9.5
97.02898	2.9
97.06544	3.4
97.10193	4.8
99.08090	2.2
105.07047	19.8
107.04967	7.2
107.08592	8.6
109.02856	1.2
109.06515	4.0
109.10175	3.6
109.97285	0.9
111.04453	3.1
111.08095	9.0
115.05489	1.8
117.07033	2.4
119.04951	1.3
119.08605	14.7
121.06483	4.4
121.10151	7.8
123.04466	0.9
123.08051	3.7
123.11723	1.5
125.09621	3.3
129.07002	10.4
131.04930	1.4
131.08577	11.2
133.06525	3.4
133.10149	10.3
135.08040	1.6
135.11678	1.4
137.05981	1.2
137.09644	1.8
142.07774	2.7
143.08569	1.0
145.02811	1.0
145.06500	4.5
145.10194	2.3
147.08058	3.9
147.11694	10.4
149.09586	6.2
155.08514	1.9
157.10126	13.0
159.08028	1.3
161.09589	1.4
163.11218	2.4
165.12816	2.7
169.10226	1.1
171.08063	1.7
171.11623	1.2
173.13211	1.0
175.11200	14.8
185.09613	1.3
185.13280	1.7
189.11249	1.3
193.12254	33.2
211.13304	17.0
219.86717	0.8
233.15378	1.9
249.14943	1.7
255.13747	2.0
267.15933	100.0
268.16238	2.1
273.14899	2.6
283.15402	1.8
285.17017	18.4
299.14511	1.0
339.23160	0.9
341.20898	1.4
349.21619	2.1
356.95242	1.2
367.22733	11.1
385.23743	11.6
403.24814	3.1
415.24847	1.0
433.25897	12.7
441.26462	5.9
459.27441	64.6
460.27417	1.9
477.28534	41.5
509.27142	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22710	1.7
53.03951	13.9
55.01871	6.9
55.05285	2.0
55.05516	28.7
57.03437	8.9
57.07068	4.0
59.04988	1.9
65.03929	4.3
67.05509	91.3
69.03437	25.1
69.07073	20.3
69.49085	8.7
69.49488	5.0
71.04997	49.9
79.05022	2.7
79.05493	62.1
81.03420	47.9
81.07060	100.0
83.04985	15.0
83.08624	14.8
85.02895	8.1
85.06528	6.1
86.09705	7.8
87.04459	4.6
91.05484	68.4
93.07046	64.4
95.04969	13.8
95.08616	42.2
97.02874	13.9
97.06558	10.2
97.10173	5.5
98.20752	2.9
98.97097	1.9
98.98438	2.9
99.04485	8.3
104.10812	2.1
105.04523	2.8
105.07031	43.5
107.04954	6.0
107.08602	29.9
109.02899	11.9
109.06539	4.5
109.10169	21.7
111.04477	10.2
111.08082	5.7
115.05442	2.3
117.07014	15.4
119.08604	17.8
119.88062	1.8
121.06503	3.1
121.10146	27.4
123.11711	13.8
125.00017	5.1
125.09637	5.1
127.03920	10.0
128.06180	2.3
129.05528	2.3
129.07002	8.4
131.08563	24.5
133.06511	3.5
133.10132	27.9
135.08044	5.7
135.11702	17.4
139.11160	2.3
141.07054	1.9
143.08580	7.0
145.06476	3.3
145.10138	16.4
147.08095	3.7
147.11693	14.1
149.09636	2.7
149.13260	12.4
151.11180	10.9
153.12807	1.9
154.18394	1.7
155.08562	4.9
157.10136	6.1
159.11673	15.4
161.09589	1.9
161.13281	7.0
163.11136	6.4
165.12779	3.0
169.10123	4.0
171.11642	5.7
173.04468	8.2
173.09700	2.4
173.13266	5.8
175.11317	2.5
175.14836	3.4
177.12770	5.9
181.10065	3.2
181.12083	3.7
183.11758	4.0
183.13795	7.9
184.07381	25.6
185.13417	2.2
187.13309	14.3
193.12231	3.4
195.13765	7.1
201.14882	4.0
227.12781	4.3
229.14186	2.4
257.17661	3.2
261.22122	6.5
269.17551	2.5
283.15253	2.9
321.17010	2.1
323.23526	2.1
335.25858	7.3
339.18106	8.8
349.27307	3.2
351.23080	2.9
369.24338	5.3
387.25238	3.8
427.23462	3.9
461.29147	3.3
475.21127	6.2
503.37021	3.8
517.38593	6.2
535.23303	4.6
543.36627	6.3
549.24731	2.9
561.41669	2.4
607.25684	2.4
608.26361	22.0
627.43762	2.0
629.03613	1.8
669.40668	2.4
673.43060	9.2
687.41101	1.9
692.84503	2.5
705.45691	48.7
706.45892	5.1
738.65564	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.9
53.03954	16.4
55.01873	13.2
55.05515	30.8
55.84579	2.5
57.03442	13.2
57.07090	4.2
60.08152	2.8
65.03941	3.0
67.05508	69.6
69.03428	31.1
69.07068	19.7
71.01351	3.5
71.04999	12.9
71.50352	4.9
73.02909	4.2
79.05076	4.9
79.05498	56.9
81.03420	100.0
81.07060	58.2
83.04990	27.4
83.08617	17.8
85.02904	15.6
85.06527	4.4
86.09723	15.4
91.05483	46.0
93.07047	55.9
95.04971	10.0
95.08606	39.9
96.88541	2.8
97.02898	30.3
97.06519	10.2
97.10155	21.0
98.98512	3.0
99.04461	12.1
105.04575	2.7
105.07033	42.0
107.04932	10.6
107.08595	39.2
109.02900	18.9
109.06522	4.7
109.10156	21.0
111.04440	26.4
111.08092	13.5
115.05460	3.9
117.07028	21.0
119.08580	24.0
121.06520	6.2
121.10145	27.9
123.08128	3.4
123.11668	7.2
124.99992	9.8
125.09624	14.5
127.03930	19.2
128.06232	3.1
129.05499	3.5
129.07013	10.8
129.55267	2.7
131.08551	22.7
133.06516	3.8
133.10117	17.6
135.08089	4.9
135.11703	19.7
141.07008	3.8
143.08580	10.8
145.06500	6.0
145.10139	26.3
147.08076	5.8
147.11726	16.1
149.09619	5.8
149.13266	7.7
153.12758	15.7
155.08572	7.8
157.10110	10.9
159.08095	3.4
159.11688	14.9
161.09656	5.6
161.13264	5.2
163.11179	20.9
167.08562	3.1
169.10156	5.3
171.11688	7.2
173.04488	31.1
173.09605	6.3
173.13277	11.5
175.11258	3.0
175.14783	2.7
181.10118	2.7
181.12250	16.0
183.11711	6.2
184.07349	46.2
185.07695	4.7
185.13239	6.3
187.14816	3.6
189.11211	10.2
191.10674	18.9
193.12347	5.6
195.11679	4.4
197.13214	7.3
201.29965	2.5
209.11682	7.3
213.16423	3.3
227.12776	44.8
243.21034	4.2
259.20624	3.9
261.22174	8.3
267.15894	2.8
279.23120	3.2
283.15424	18.2
299.23788	7.3
301.16458	5.0
301.21741	3.5
317.24817	4.5
333.24292	4.7
335.25894	18.7
351.23013	4.8
353.15829	7.1
369.24265	7.1
427.19659	8.0
431.18393	3.8
433.30905	6.1
447.21671	5.6
451.31967	6.6
469.33340	6.7
475.21265	9.6
487.33997	3.6
515.36981	6.4
525.35730	19.7
535.23004	6.5
543.36871	61.8
549.25177	4.3
561.37720	11.6
608.26239	45.9
651.39221	3.9
669.39899	3.6
687.40668	16.5
705.31665	3.3
705.42151	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	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.6
55.01871	14.9
55.05241	1.7
55.05513	33.3
57.03441	13.6
57.07063	3.6
59.04997	3.0
61.02914	1.9
65.03931	5.0
67.05506	79.2
69.03432	32.0
69.07072	20.8
70.69746	1.9
70.70090	3.4
71.01347	2.3
71.04994	14.6
73.02905	3.2
77.03903	1.9
79.05496	59.0
81.03419	100.0
81.07058	64.1
83.01348	2.3
83.04980	28.0
83.08621	17.4
85.02900	13.8
85.06537	3.9
86.09708	3.2
90.08011	1.7
91.05486	44.2
92.05827	1.5
93.07047	60.3
95.04974	16.0
95.08607	44.5
97.02888	28.2
97.06541	9.0
97.10152	16.1
99.04438	10.9
99.08105	1.9
105.04510	2.6
105.07034	36.1
107.04974	9.9
107.08598	36.3
109.02892	23.4
109.06517	6.2
109.09472	2.7
109.10158	27.1
111.04447	24.5
111.08092	8.9
113.05996	1.6
115.05461	3.4
115.12292	1.6
117.07018	19.8
119.04922	2.0
119.08585	33.5
121.06502	4.6
121.09334	2.2
121.10149	24.4
123.04488	1.9
123.08072	5.2
123.11692	5.0
124.99971	2.7
125.02405	1.6
125.09618	13.7
127.03917	19.0
128.06195	3.4
129.05479	3.0
129.07005	13.1
131.08568	28.3
133.06522	3.8
133.10135	23.4
135.08047	4.5
135.11687	23.7
137.09608	4.5
139.11131	1.5
141.07021	3.6
142.07806	3.1
143.08549	10.7
145.06461	4.2
145.10118	28.4
147.08005	4.1
147.11681	12.9
149.05957	1.6
149.09618	5.4
149.13261	6.9
151.11154	1.8
151.14862	1.5
153.12761	17.8
155.08524	8.0
157.10126	11.8
159.08046	4.2
159.11739	15.1
161.09631	3.2
161.13254	6.6
163.11171	22.5
163.14825	2.0
165.06940	1.7
167.08540	1.9
169.10069	6.9
171.08005	2.1
171.10333	1.9
171.11711	10.6
173.04478	28.0
173.05908	2.9
173.09656	6.9
173.13283	10.9
175.11205	4.3
175.14835	2.9
181.10193	3.0
181.12236	19.2
183.11710	7.3
184.07346	9.2
185.09628	4.1
185.13249	6.0
187.11229	3.1
187.13188	1.8
187.14784	4.3
189.09471	2.0
189.11223	9.8
189.12726	2.9
191.10666	17.2
195.11699	4.0
197.13306	4.5
199.14836	3.5
209.11655	13.1
209.13342	1.9
211.11206	2.1
211.13222	2.6
221.13338	3.1
227.12766	44.3
235.16954	1.8
241.19412	1.7
243.21172	2.5
245.13591	1.9
259.20578	4.5
261.22208	7.2
267.15952	2.5
277.21765	2.6
283.15363	20.7
283.20428	2.2
297.22125	2.3
299.23636	7.3
301.16376	5.1
301.21722	2.3
305.78122	1.7
313.21463	1.7
315.23032	1.9
317.24863	4.0
327.11069	1.5
333.24155	2.4
335.25809	23.7
351.23273	4.0
353.16266	7.0
369.24329	5.9
373.27588	1.7
387.25272	3.6
427.19739	7.9
433.30933	3.4
443.27762	1.9
451.31927	7.3
461.29083	2.7
469.33047	6.3
475.06018	1.6
487.34061	2.8
515.37292	3.5
525.35754	13.7
543.36890	52.5
544.36700	2.6
561.38184	7.9
564.39624	2.4
565.32666	1.9
651.38696	2.3
669.39526	6.6
687.40997	17.1
705.31415	2.8
705.42108	34.2
705.56146	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	4.4
52.57249	3.1
53.03947	17.6
55.01888	19.2
55.05518	43.7
57.03439	12.3
60.08174	6.3
61.02927	4.8
64.62816	3.6
65.03951	6.7
67.05511	83.3
69.03436	28.2
69.07073	20.7
71.04997	13.8
71.49859	4.3
73.02903	5.9
78.87029	3.1
79.05502	68.4
81.03421	99.8
81.03873	6.5
81.07062	79.0
83.04986	30.3
83.08633	21.9
85.02927	16.2
86.09707	26.9
91.05480	52.7
93.07050	77.0
95.04963	15.4
95.08617	51.0
97.02901	27.6
97.06538	9.2
97.10191	15.8
98.98538	3.8
99.04462	13.5
105.04497	4.1
105.07037	39.2
105.24277	3.5
107.04968	11.3
107.08612	39.8
109.01491	2.9
109.02892	31.4
109.06514	9.1
109.10172	30.1
111.04440	27.4
111.08096	11.1
117.07027	23.3
119.08596	36.1
121.06512	4.5
121.10145	34.5
123.08097	3.7
123.11697	6.5
125.00004	24.6
125.05984	4.6
125.09595	19.1
127.03950	17.0
127.68472	3.4
129.05573	3.9
129.06995	17.7
131.08589	29.7
133.06467	3.2
133.10120	21.0
135.08098	6.1
135.11710	30.1
137.09605	3.5
141.06978	9.0
142.07907	3.5
143.08583	10.2
145.06541	4.8
145.10135	29.6
147.08070	3.4
147.11720	14.4
149.09659	6.9
149.13300	8.0
153.12773	21.4
155.08543	8.0
157.06479	3.5
157.10144	10.0
159.08023	3.7
159.11725	14.9
161.09651	5.4
161.13268	6.6
163.11180	30.8
168.52921	3.4
169.10262	6.7
171.11688	8.6
173.04474	28.4
173.09636	9.4
173.13277	12.2
181.12247	22.6
183.11682	8.9
184.07341	100.0
185.07703	4.1
185.09412	5.0
185.13278	6.6
187.11377	3.8
187.14832	5.4
189.11266	8.1
191.10689	17.9
193.12364	3.5
197.13321	7.2
200.26651	3.2
208.99794	3.5
209.11705	7.4
209.13452	3.8
211.14879	4.4
227.12798	50.2
261.22171	13.1
280.21555	3.3
283.15445	21.2
299.23727	8.5
301.16608	7.3
325.87524	3.1
335.25821	32.6
351.14890	3.2
353.15732	6.5
369.23853	3.4
397.30176	3.7
427.19751	9.3
433.20557	4.6
447.21527	6.7
451.31888	5.9
469.33200	9.9
475.21255	14.7
476.21695	3.8
503.20895	5.3
515.37140	5.1
525.35846	16.1
535.23523	5.5
543.36896	51.5
561.37329	5.4
607.25311	6.5
608.26434	52.8
669.39471	7.4
687.40887	13.0
705.32428	5.6
705.42102	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01875	1.9
55.05517	14.8
57.03454	5.6
57.07083	2.1
59.04995	1.5
61.02930	12.3
63.34552	1.1
67.05511	23.2
69.03442	8.4
69.07070	7.6
69.43934	7.5
71.04998	4.1
73.02922	4.3
79.05494	18.4
80.73743	1.0
81.03430	18.1
81.07067	21.9
83.04984	6.0
83.08617	9.1
83.28812	1.1
85.02920	10.6
85.06545	1.4
91.03960	4.2
91.05483	18.9
93.07056	17.8
95.04971	8.8
95.08614	13.7
97.02904	10.6
97.06535	1.8
97.10171	9.5
99.04476	1.4
101.02391	1.4
105.07032	18.1
107.04964	4.4
107.08597	10.7
109.02906	2.1
109.06520	2.0
109.10152	8.9
111.04440	2.8
111.08102	4.2
117.07024	12.0
119.08586	13.5
121.06493	2.6
121.10151	7.2
123.08066	2.5
123.11719	2.3
123.66721	1.1
124.86259	1.0
125.09637	5.8
127.03921	2.5
128.06262	2.4
129.06987	8.0
131.08586	14.1
133.06583	1.8
133.10153	8.3
135.08066	2.3
135.11699	4.1
137.09560	1.3
141.07104	1.8
142.07828	2.8
143.08571	8.9
145.06494	1.9
145.10159	11.2
147.08064	2.9
147.11656	6.5
149.09682	2.9
151.11176	1.6
153.12703	1.2
155.08540	6.2
157.06566	1.2
157.10143	9.3
159.08078	2.0
159.11702	10.5
161.13280	2.6
163.11200	2.3
165.07025	1.5
167.08572	3.3
169.10158	4.4
171.08040	2.4
171.11700	7.9
173.04555	1.6
173.09642	3.6
173.13275	4.8
175.11220	2.6
175.14836	1.8
179.08611	1.0
180.09221	1.2
181.10133	3.6
181.12108	1.3
183.11719	6.3
184.07396	1.6
185.09653	2.0
185.13313	3.7
187.11308	2.2
187.14836	2.3
189.11240	2.2
191.10765	1.5
193.10199	1.4
193.12286	5.2
195.11719	2.5
197.13298	2.6
199.11093	1.4
199.14813	2.9
201.12804	1.7
201.16409	1.3
207.11671	1.4
209.13310	3.3
211.13292	3.3
213.12784	1.4
221.13400	1.4
223.14890	1.6
227.12788	4.3
229.14304	1.5
235.14760	1.9
241.19606	2.2
257.19083	1.3
259.20654	4.7
267.15985	1.9
283.20535	1.5
285.16974	1.5
297.21960	1.8
299.20547	1.2
299.23724	5.3
311.83072	1.2
315.23221	1.9
318.25586	1.3
325.21613	1.5
333.24344	3.4
339.23166	1.4
343.22931	1.2
357.24036	1.8
421.25983	1.9
433.31082	4.9
435.27203	2.1
451.32074	8.7
452.32776	1.7
469.33282	2.1
507.34381	1.8
525.35803	18.5
541.35181	2.8
543.36884	100.0
544.37085	3.2
559.34741	1.4
585.37878	1.8
651.38916	2.4
669.39600	2.0
687.41217	5.7
705.33051	2.2
705.42340	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42775	2.0
51.02367	2.5
52.57193	2.3
53.03951	15.4
54.98109	2.2
55.01868	15.2
55.05513	36.3
56.30868	2.3
56.67833	2.4
57.03438	14.7
57.07076	2.7
65.03931	6.4
67.05512	74.3
68.05830	2.8
69.03091	3.4
69.03433	34.7
69.06807	2.2
69.07076	23.1
69.85507	10.6
71.04996	17.2
79.05499	70.0
81.03423	100.0
81.06600	3.4
81.07060	68.1
83.04984	30.3
83.08611	15.9
85.02911	14.6
85.06534	4.1
86.09699	3.4
87.04459	2.1
91.05484	54.3
93.06487	4.8
93.07050	70.3
95.04965	12.9
95.08608	47.4
97.02901	32.3
97.06525	9.7
97.10177	14.9
98.21518	2.7
99.04456	12.4
99.08128	3.9
105.04518	2.6
105.07042	42.3
107.04944	9.4
107.08603	35.9
109.02882	23.6
109.06516	6.4
109.10178	28.0
111.04453	26.8
111.08109	12.2
115.05482	4.2
117.07032	28.8
119.08585	32.6
121.06513	8.0
121.10142	30.5
123.08054	4.4
123.11703	4.8
124.99976	3.4
125.09652	12.7
127.03922	16.3
128.06221	3.6
129.05525	4.1
129.07036	12.1
131.08562	31.3
133.10123	20.4
135.08032	2.5
135.11681	25.4
137.05988	3.0
141.06975	4.7
143.08569	14.5
145.06586	3.5
145.10133	28.6
147.08049	3.0
147.11719	11.8
149.09642	7.5
149.13271	8.9
153.12756	21.4
155.08551	8.0
157.10168	11.7
157.11386	2.6
159.08060	3.6
159.11732	14.4
161.09523	2.9
161.13254	8.5
163.11192	25.8
169.10120	4.5
171.11667	7.8
173.04457	25.3
173.09642	10.8
173.13268	12.9
175.07556	2.5
175.14787	4.6
177.09003	2.4
181.10120	4.6
181.12233	22.5
183.10210	2.4
183.11668	5.9
184.07379	10.8
185.13266	6.6
187.11217	2.7
187.14780	4.5
189.11211	7.6
191.10706	21.1
193.12234	2.3
195.11731	3.2
197.13290	5.4
199.05966	3.2
199.14882	2.7
209.11754	10.0
211.14938	3.4
215.14594	2.4
223.14874	3.3
225.16496	3.2
227.12782	47.3
243.21028	3.8
259.20557	3.1
261.22122	9.5
271.20523	2.8
273.22116	3.0
275.20169	3.7
283.15381	20.3
297.22278	2.5
299.23813	4.7
301.21628	5.0
317.24481	3.6
335.25867	31.6
341.24832	3.1
353.15964	7.2
369.24332	6.6
427.19635	9.2
451.31900	3.9
469.33014	7.5
525.35663	10.1
527.37128	3.4
543.36877	47.3
561.37708	8.6
613.36694	3.1
669.39771	4.7
687.40796	17.3
705.31714	2.5
705.42157	33.0
705.54675	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	704.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97582	0.2
52.26504	0.2
55.05502	0.4
56.05024	0.7
57.07061	0.3
58.06622	0.5
60.08165	6.7
60.68624	0.2
65.43380	0.2
67.05500	1.0
68.14857	0.2
69.07063	0.3
70.06548	0.2
71.07376	3.4
71.50356	0.3
79.05482	0.7
81.07063	0.8
83.08624	0.2
86.09709	35.5
87.10045	0.2
89.06045	0.3
91.05497	0.4
93.07037	0.7
94.93315	0.2
95.08610	0.7
97.02914	0.2
98.06089	0.2
98.98466	4.0
104.10746	3.5
105.07016	0.2
106.14754	0.2
107.08590	0.3
107.64767	0.2
109.10201	0.4
121.10115	0.2
125.00009	23.3
135.11740	0.2
143.01085	0.3
145.10243	0.2
163.11266	0.3
184.07347	100.0
185.07710	0.7
208.11421	0.2
232.79097	0.2
355.88876	0.2
423.99207	0.2
468.75198	0.2
496.33908	0.3
531.40369	0.2
608.26617	0.2
645.69617	0.2
704.45038	11.4
705.45056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14541	0.2
55.05505	0.4
56.05032	0.8
58.06624	0.4
58.15934	0.1
60.08166	6.9
65.68432	0.2
67.05494	1.2
69.07068	0.3
69.81538	0.5
69.81953	0.4
70.06606	0.2
71.07377	3.9
71.08611	0.3
79.05499	0.5
81.07059	0.9
82.19739	0.1
83.08620	0.3
86.09708	31.4
91.05469	0.4
93.07040	0.5
95.08612	0.4
98.06055	0.5
98.98462	3.6
104.10733	2.3
105.07024	0.3
106.02710	0.2
107.08641	0.2
109.10151	0.3
121.10193	0.2
123.10850	0.2
123.11760	0.2
125.00008	21.3
133.10132	0.2
162.90901	0.2
165.58575	0.2
173.08884	0.2
184.07346	100.0
184.42657	0.2
185.07713	0.6
233.97443	0.2
374.43842	0.2
442.18433	0.2
496.33740	0.2
563.43121	0.5
704.44971	5.7
705.44775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93093	0.2
55.05496	0.2
56.05035	0.7
57.07081	0.6
58.06622	0.5
60.08167	6.1
67.05511	0.5
69.07077	0.5
71.07383	3.5
71.10703	0.4
71.11030	0.3
77.21591	0.2
77.27168	0.2
79.05489	0.5
81.03430	0.3
81.07072	0.8
83.08629	0.3
86.09711	30.2
89.06030	0.6
91.05496	0.3
93.07072	0.3
95.08601	0.6
98.98464	2.9
103.01515	0.3
104.10741	3.1
107.08585	0.3
125.00011	20.4
126.91277	0.2
133.08682	0.6
136.06276	0.3
147.52202	0.2
166.09436	0.2
184.07350	100.0
185.07726	0.5
225.20892	0.2
244.13257	0.2
269.17480	0.5
336.34521	0.2
339.28796	0.3
505.39114	0.4
627.40833	0.3
630.85321	0.3
702.33710	0.4
702.47125	7.4
703.47076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.1
55.05508	12.0
57.35871	3.4
61.02953	4.1
65.03938	5.3
67.05499	14.0
69.03430	5.2
69.07076	18.2
70.16386	15.5
71.01934	3.3
79.05492	22.6
81.07056	33.0
83.08621	10.3
85.02899	12.2
85.06554	4.9
91.05476	30.1
93.07040	51.2
94.56663	3.4
95.04971	7.3
95.08615	50.9
97.02847	4.1
97.06531	11.1
99.08096	14.3
105.07042	54.7
107.04957	4.7
107.08599	71.7
108.48311	4.2
109.06502	8.7
109.10131	19.4
109.27631	4.0
111.08062	7.0
117.07008	8.9
119.04934	3.9
119.08585	100.0
119.09389	7.8
121.06524	10.5
121.10146	36.6
123.08041	4.5
123.11736	11.6
128.06224	4.0
129.07025	7.7
131.08560	62.0
133.10132	67.1
135.08043	10.5
135.11700	22.4
137.05991	13.7
137.09633	8.1
143.08546	18.9
145.10123	50.4
147.04417	23.8
147.11696	64.0
149.09628	7.8
149.13248	23.2
153.05457	4.6
157.10118	17.5
159.07957	4.4
159.11711	44.4
161.09634	10.4
161.13264	24.9
163.03877	11.1
163.11142	6.6
163.14830	19.5
169.10107	7.2
170.10939	3.7
171.11647	21.2
173.13272	38.2
175.11172	5.8
175.14839	27.4
177.12804	4.6
177.16357	9.3
183.11694	9.2
185.13242	25.0
187.14819	68.8
189.12830	8.8
189.16359	28.9
191.14360	25.4
193.12213	5.4
197.13257	9.3
199.14900	19.6
201.16397	72.1
203.14323	24.5
203.17981	9.0
205.15863	24.7
207.17480	4.7
211.14906	5.9
213.16380	16.2
215.14290	5.7
215.17970	7.6
217.15903	13.8
219.17491	25.0
221.15401	48.4
227.17880	5.6
229.15851	7.0
235.16942	15.5
239.16403	16.9
247.16849	5.2
265.18063	11.3
331.47345	3.9
387.30347	8.5
393.31561	8.6
405.31403	24.1
411.32727	18.5
421.30988	5.3
423.32639	48.2
425.34253	9.3
433.31122	4.9
439.32156	14.6
441.33679	33.0
442.19537	4.2
451.32098	19.1
459.34686	12.1
469.33145	57.9
477.35666	5.9
487.34058	31.1
505.35318	62.5
702.50549	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	702.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.01879	5.4
55.05514	53.5
57.03440	13.1
57.07074	6.9
60.08142	1.8
61.02934	4.4
67.05508	61.6
67.26473	1.7
68.05857	2.0
69.03426	6.7
69.07075	16.7
71.04993	2.5
71.08639	4.7
71.50326	2.2
77.70094	2.0
79.05494	43.3
81.03432	3.8
81.07059	51.6
81.16851	1.9
83.04974	5.5
83.08617	32.7
85.02911	4.3
85.06554	3.5
86.09709	8.3
87.04487	2.5
91.05489	17.6
93.07048	38.8
95.04981	3.5
95.08607	33.7
97.10173	64.7
105.07041	11.6
107.08598	32.6
109.10168	17.3
111.08101	3.3
117.07025	6.8
119.08594	10.2
121.10168	18.7
123.11715	7.5
125.00017	7.2
125.09637	60.9
131.08598	8.9
133.08585	3.7
133.10159	7.1
135.08083	7.4
135.11703	8.6
143.10690	4.2
145.10144	7.8
147.11705	3.7
149.13248	6.1
153.09116	4.7
159.11761	4.7
161.13318	5.5
163.14807	3.9
171.10265	4.8
173.13274	5.6
184.07343	29.8
187.14806	2.8
189.11244	43.7
215.68312	1.8
224.73750	1.9
227.10562	4.2
227.12802	79.2
227.20078	27.4
228.13049	2.5
243.21123	6.3
245.13870	100.0
246.14212	2.2
261.22134	31.5
317.24817	3.2
330.13828	2.1
335.25812	97.7
336.26193	2.6
356.76300	2.1
455.05783	2.1
468.38080	3.6
487.34503	5.2
505.35239	70.1
702.28418	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01862	6.5
55.05515	53.7
57.03437	11.9
57.07071	3.6
60.08159	4.9
61.02918	3.5
66.88395	1.4
67.05510	65.3
67.30747	1.6
67.31120	1.4
69.03423	5.4
69.06800	1.6
69.07079	16.7
71.04979	1.6
71.07366	1.7
71.08616	2.2
73.02919	2.5
79.05496	41.2
81.03436	13.0
81.06597	3.2
81.07060	59.1
81.07539	3.2
83.04989	3.8
83.08624	32.1
85.02917	1.9
85.06542	1.8
85.88267	1.5
86.09711	18.6
91.05492	19.9
93.07046	38.3
95.04984	6.7
95.08613	31.9
97.02865	3.6
97.06557	3.2
97.10175	70.5
98.98471	1.9
105.07034	17.5
106.06601	1.6
107.04968	2.6
107.08600	37.8
109.10180	17.2
111.08089	4.2
117.07018	8.7
119.08595	12.4
121.10169	11.8
123.11722	6.9
124.99986	9.9
125.09639	62.2
126.57898	1.7
129.07057	2.5
131.08582	8.3
133.10143	10.3
135.08076	5.5
135.11707	8.9
143.10651	3.1
145.10112	6.3
147.11707	5.6
149.13254	5.7
153.09119	4.4
157.10132	1.8
159.11693	4.3
160.89050	1.6
161.13313	3.1
163.14839	5.0
171.10156	4.1
173.13289	4.2
175.11240	1.6
184.07358	56.8
187.14766	2.4
189.11223	44.4
193.12277	3.7
227.12796	75.9
227.20096	2.5
243.21205	8.0
245.13867	100.0
261.22131	19.1
275.67557	1.6
279.23074	1.9
317.24591	3.6
335.25833	66.6
336.26041	3.3
349.45129	1.4
352.67471	1.5
431.31647	2.9
487.34143	8.5
495.19455	2.2
505.35269	33.8
523.35968	2.9
529.38892	36.8
624.25439	2.2
642.25885	2.4
652.25104	2.1
670.25720	6.0
702.28638	9.4
702.47272	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	697.377
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.03951	0.9
55.05496	0.9
55.15969	0.5
57.03432	1.4
61.02937	4.0
67.05511	5.1
69.03426	1.7
69.07071	1.4
71.04997	4.0
71.49660	0.6
73.02932	3.2
79.05484	2.6
81.03413	1.8
81.07056	6.3
83.08632	0.9
85.02899	3.6
85.06526	0.8
91.03962	2.3
91.05494	3.4
93.07029	3.6
95.08620	1.9
97.02906	3.0
97.06538	1.0
99.04459	0.9
99.08027	0.7
99.68454	0.5
101.02408	1.5
103.03958	0.7
105.07019	1.3
107.08613	2.5
109.02902	0.7
109.07973	0.6
109.10169	1.3
121.10168	1.4
123.11747	0.7
127.03946	1.3
131.08577	1.8
133.10161	2.4
135.11671	0.6
149.13309	1.7
151.11273	0.9
153.16351	0.6
159.11710	1.1
177.05536	0.9
177.13016	0.6
185.04265	0.8
187.13329	0.6
187.14886	0.6
209.08147	1.5
235.13075	1.4
243.08485	2.3
267.15808	2.0
285.08084	0.7
287.05652	2.1
307.21609	0.7
453.20969	8.2
485.23462	5.9
528.53320	0.6
567.31915	0.7
625.31897	3.7
697.37738	100.0
698.38000	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03980	0.3
53.03939	0.7
55.01862	0.6
55.05511	0.7
57.03445	2.1
61.02930	3.0
61.42598	0.3
67.05509	1.8
69.03427	2.4
69.07066	0.6
69.15356	2.5
69.15762	0.6
71.01332	0.4
71.05003	0.4
73.02921	3.3
79.05495	2.0
81.03423	4.4
81.07051	2.5
83.04974	1.0
83.08613	1.5
85.02441	0.5
85.02911	6.1
91.03963	2.2
91.05490	2.8
93.07049	1.2
95.04969	1.9
95.08634	0.9
97.02895	3.5
99.04439	0.6
101.02400	1.3
105.07037	1.9
107.04945	0.5
107.08585	0.9
109.02895	0.8
109.06509	0.3
111.04462	0.4
111.08134	0.3
114.32268	0.3
115.03941	0.4
119.08596	1.5
121.10172	0.9
123.08108	0.3
124.50841	0.3
127.03922	1.1
129.07024	1.1
131.08606	1.0
132.51872	0.3
133.10124	1.4
137.06023	0.4
142.07745	0.4
145.04980	0.4
147.11700	1.5
157.10139	1.3
162.02379	0.3
175.11150	1.4
193.12236	1.5
211.13356	1.0
243.08466	1.5
251.12608	1.6
285.17044	0.3
287.05603	0.6
307.15210	0.5
469.20486	11.4
470.20953	0.4
681.62604	0.3
697.34045	100.0
698.34467	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	697.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06934	1.1
55.01869	1.9
55.05499	2.6
57.03421	2.2
61.02928	6.2
64.57212	1.1
67.05515	10.6
69.03427	3.7
69.07037	2.3
71.50777	1.9
73.02910	5.3
74.04509	1.1
79.05489	3.9
81.03423	2.5
81.07073	8.3
85.02909	6.8
91.03934	5.6
91.05482	5.1
93.07052	4.2
95.04961	2.0
95.08578	2.5
97.02921	6.4
99.04468	1.8
99.08081	1.6
101.02399	2.5
105.07033	3.6
107.08571	3.9
109.10170	13.1
119.08576	3.1
121.10129	3.0
121.32613	1.3
125.05814	1.2
127.03913	4.0
129.05449	1.4
131.08543	2.5
133.10095	2.4
153.01843	1.5
159.11649	2.0
173.11775	2.3
185.04230	3.0
187.14809	1.5
203.05208	1.6
221.11499	2.0
229.14243	1.9
235.10625	1.3
243.08475	5.2
247.16725	1.8
287.05612	7.1
301.08893	5.3
315.10617	2.5
353.23953	1.6
356.48755	1.7
357.15109	1.4
371.16873	4.5
373.10931	1.7
385.18222	2.5
389.26755	1.7
413.17963	21.8
425.21454	4.1
443.18600	1.7
453.20758	6.0
463.26703	2.4
483.22018	2.1
485.20044	7.9
497.23700	1.8
499.21329	2.4
541.26019	5.1
567.31409	23.7
568.32111	1.7
596.31702	7.5
597.31659	1.8
625.31995	100.0
626.31818	3.5
628.30713	7.0
651.33264	9.3
653.32855	1.4
697.33923	40.4
698.33752	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01857	0.4
57.03431	0.5
61.02916	0.5
65.03922	0.2
68.99812	0.4
69.03096	0.2
69.03434	2.1
70.94116	0.2
70.94461	0.4
71.05014	0.3
73.02900	0.2
73.95995	0.2
78.74091	0.2
81.03441	1.5
85.02910	3.4
87.00826	0.5
87.04495	0.3
97.02902	2.5
99.04462	0.5
107.04993	0.3
108.42336	0.2
109.02890	1.2
111.00803	0.7
111.04602	0.2
121.02871	2.5
127.03935	2.1
133.02840	0.5
137.02368	0.9
145.04994	1.5
145.06119	0.2
147.04431	0.6
153.01840	3.1
157.06532	0.3
159.02885	0.6
159.60416	0.2
165.01872	1.7
171.04347	0.2
183.02901	0.8
185.05995	0.3
187.05923	0.2
213.05470	1.1
231.04666	0.2
231.06596	0.5
241.04996	1.2
258.05295	0.8
259.06049	0.4
273.12027	0.2
287.05521	100.0
288.05826	1.4
300.67136	0.2
303.04956	1.0
329.06567	0.2
449.10934	3.0
450.11017	0.2
535.10883	5.5
536.11285	0.2
665.18140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01876	0.5
55.05511	1.3
57.03434	1.7
58.96498	0.4
61.02931	4.2
67.05515	2.3
69.03434	3.0
69.07066	0.7
71.01373	0.4
71.50421	0.5
73.02917	2.9
74.77854	0.4
79.05486	2.4
81.03421	6.3
81.07069	2.7
83.04977	0.9
83.08655	2.0
85.02914	6.5
91.03978	2.0
91.05482	3.6
93.07062	1.7
95.04989	2.8
95.08612	1.2
97.02909	4.1
99.04465	0.9
101.02395	1.8
105.07041	2.6
107.04973	0.7
107.08625	1.2
109.02898	1.0
109.06512	0.5
109.10120	0.5
111.08114	1.2
113.06046	0.4
115.03886	0.4
119.08585	2.3
121.10177	1.2
123.08073	0.4
123.11758	0.6
127.03945	1.6
129.07051	1.0
131.08595	1.1
133.10165	1.6
137.06024	0.9
145.10153	0.5
147.08147	0.7
147.11725	1.5
149.09676	0.8
157.10150	1.5
165.12810	0.5
167.07097	1.8
175.11249	1.6
181.05089	0.6
193.12279	3.6
211.13322	1.8
221.11559	0.5
226.19283	0.4
243.08427	2.0
251.12570	3.6
285.16989	0.6
287.02307	0.6
287.05499	8.3
287.08426	0.5
307.15137	0.9
417.15540	1.0
469.20514	14.0
470.20773	0.8
639.03772	0.5
697.34070	100.0
698.34308	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	697.1613
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03955	1.0
55.01859	1.0
57.03422	0.9
61.02908	0.6
63.09501	0.2
68.41714	0.2
68.99800	0.8
69.03048	0.3
69.03431	3.9
70.80526	0.4
70.80847	0.3
71.04990	0.4
73.02911	0.8
81.03426	5.4
85.02910	7.4
87.00837	2.9
97.02903	3.0
99.04446	1.7
105.01881	1.7
107.04935	0.2
109.02148	0.3
109.02881	4.0
111.00785	0.8
117.01864	0.6
121.02846	2.0
127.03931	6.2
129.01840	0.4
133.02908	0.3
137.02289	0.5
139.57002	0.3
145.04985	2.0
147.02925	0.6
147.04474	0.3
153.01839	2.4
159.02924	2.4
165.01831	1.3
183.02917	0.8
185.05977	0.3
213.05499	0.7
231.04926	0.7
241.04945	0.6
258.05328	0.9
259.06061	0.5
287.05521	100.0
288.05841	1.6
304.57828	0.2
321.69827	0.2
328.30725	0.3
329.06653	0.7
449.10849	10.6
464.11996	0.2
474.09540	0.2
602.86603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93537	2.0
55.01849	2.3
55.05519	18.5
57.03436	11.2
57.07065	9.2
61.02931	25.2
67.05511	68.5
69.03439	5.0
69.07071	27.9
70.01308	2.0
70.19949	4.4
70.20353	4.0
71.08640	5.5
73.02905	8.6
78.81293	2.3
79.05136	1.9
79.05502	20.8
81.03362	2.4
81.07062	95.5
83.08627	25.5
84.70096	2.0
85.02908	31.5
85.06534	2.9
85.10183	3.1
91.03966	30.4
91.05495	15.1
93.07049	26.8
95.04968	2.7
95.08615	77.1
97.02896	17.2
97.06522	8.1
97.10197	13.2
99.04492	2.6
99.08089	2.3
100.04105	2.1
102.52801	1.9
105.07042	12.7
107.08604	19.2
109.10168	48.4
111.08101	5.1
111.11719	4.3
113.09630	3.0
119.08569	11.5
121.10167	25.0
123.11716	23.4
127.03915	8.5
133.10152	15.6
135.11688	12.4
137.09589	3.5
137.13261	7.9
139.11188	3.2
145.04964	14.0
147.11650	9.9
149.13228	10.5
151.14835	6.6
155.14291	2.8
161.13264	14.0
163.06018	16.2
163.14853	9.4
165.16396	8.4
175.14844	10.6
179.14313	2.1
179.17918	6.0
186.74791	2.0
189.16428	5.9
203.18231	2.2
210.18503	2.2
245.20082	3.1
245.22653	68.1
263.23730	100.0
264.23862	2.7
275.56219	2.5
281.24634	2.5
287.45566	2.4
337.27380	73.4
355.28329	14.7
499.32538	5.4
696.36517	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01862	0.9
57.03425	0.6
61.02906	0.7
64.87165	0.2
68.99789	0.9
69.03437	4.8
71.04982	0.7
71.08559	0.4
71.52828	0.2
73.02924	1.0
81.03426	5.3
83.75838	0.2
85.02917	7.0
87.00842	3.5
91.03988	0.4
95.63786	0.2
97.02908	3.2
99.04465	1.3
105.01884	1.7
107.04935	0.3
109.02889	4.2
111.00803	0.6
117.01843	0.5
121.02889	2.0
127.03931	5.8
129.01842	0.5
133.02843	0.4
137.02293	0.5
145.04958	1.9
145.06610	0.2
147.02890	0.4
147.04422	0.5
153.01826	2.7
157.06586	0.3
159.02919	2.1
165.01866	1.5
183.02917	0.7
185.06026	0.3
213.05507	0.9
231.04648	1.1
231.06889	0.4
241.05052	0.5
258.05280	0.7
259.06009	0.4
269.04425	0.3
287.05527	100.0
288.05832	2.1
303.05008	0.5
329.06619	0.5
449.04575	0.5
449.10855	9.4
450.10840	0.3
492.37122	0.2
535.10907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3251
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03942	1.2
54.41180	0.5
55.05514	1.6
57.03431	2.1
61.02933	4.4
63.61793	0.5
65.03934	0.5
67.05509	3.1
69.03435	2.4
69.07050	1.2
69.75081	0.5
71.01357	0.5
71.05008	0.7
71.16947	1.2
73.02924	3.8
79.05480	2.8
81.03426	4.8
81.07070	3.8
82.03782	0.5
83.04981	1.1
83.08591	2.3
85.02912	5.8
85.06554	0.6
86.09716	0.7
91.03947	2.4
91.05500	3.3
93.07054	2.2
95.04975	2.1
95.08630	1.0
97.02897	4.0
97.06525	0.8
99.04459	1.0
101.02386	2.0
105.07055	2.0
107.04948	0.9
107.08624	1.8
109.02892	0.7
109.06522	0.5
109.10188	1.4
111.08048	0.6
115.03890	0.8
117.07028	0.7
119.08598	1.9
121.10178	1.3
124.99998	0.8
127.03942	1.7
129.07013	0.9
131.08603	1.0
133.10118	1.0
134.66701	0.5
135.11740	1.0
137.06015	0.8
145.10161	0.9
147.04477	0.7
147.11703	0.9
157.10168	0.7
163.11229	2.2
175.11137	0.8
184.07336	4.0
185.04254	0.7
193.12276	1.7
211.13371	0.5
218.62036	0.5
229.14299	0.5
243.08394	2.5
249.10999	0.8
251.12730	0.8
267.16055	1.0
269.17627	0.7
270.17682	0.5
285.16754	0.5
307.15045	0.5
408.92810	0.5
462.29282	1.5
466.28970	0.5
467.18997	6.0
469.20471	5.9
540.21802	0.6
575.04712	0.5
592.70685	0.5
695.32452	100.0
696.32910	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	695.325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17321	0.4
53.03954	0.8
53.24244	0.4
55.01873	0.7
55.05507	1.7
57.03427	1.4
61.02932	2.8
65.03963	0.5
67.05517	3.5
69.03430	2.8
69.07074	0.9
71.04995	0.7
73.02919	2.1
79.05501	3.6
81.03426	4.7
81.07077	3.5
83.04980	1.6
83.08623	1.2
85.02907	6.0
85.59445	0.5
86.09695	1.1
91.03973	2.2
91.05486	4.2
93.07056	3.9
95.04974	2.7
95.08628	2.7
97.02895	3.0
97.06586	0.6
98.20750	1.2
99.04485	0.7
99.08163	0.5
101.02397	1.5
105.07039	3.6
107.08586	2.9
109.02859	0.7
109.06533	0.5
109.10175	0.8
111.08080	0.9
113.05997	0.7
117.07039	0.7
119.04857	0.5
119.08515	2.3
121.06509	0.7
121.10148	1.2
123.04459	0.5
125.00031	0.9
127.03941	1.6
129.07057	0.9
131.05000	0.7
131.08582	1.5
133.10155	1.4
135.08078	1.4
135.11729	2.1
137.06055	1.1
137.09595	0.5
145.10162	2.3
147.04364	0.7
147.07983	0.7
147.11684	1.2
157.10225	0.6
159.11641	0.5
163.07584	1.1
163.11182	3.8
175.11208	1.2
181.12308	0.6
184.07346	3.8
193.12276	1.6
201.12750	1.1
211.13246	0.8
219.10005	0.5
227.12781	2.4
229.12383	0.8
243.08459	2.0
249.11000	6.0
251.12567	0.8
285.17331	0.7
287.05524	5.5
305.13885	0.7
436.95911	0.5
467.19040	6.7
469.20551	7.7
498.30511	0.8
576.94495	0.6
695.32458	100.0
696.32635	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	695.188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	7.8
57.03424	3.2
58.19007	2.2
61.02926	3.8
68.55744	2.2
69.03422	9.4
69.22929	2.2
71.48547	2.8
73.02909	3.4
81.03431	3.2
81.66733	2.5
84.96007	2.7
85.02913	20.4
94.23621	2.1
97.02893	10.9
98.97601	32.5
99.04396	2.5
101.00900	19.4
102.86884	2.3
103.51058	2.3
109.02918	5.0
110.97572	6.5
113.00886	5.1
115.02488	2.6
116.98631	10.3
119.01920	27.4
119.04922	3.3
124.99045	2.4
127.02425	3.3
127.03922	7.6
128.98627	8.1
131.01913	10.4
132.95816	2.7
133.03487	5.7
137.06007	6.3
139.66096	2.1
143.00172	3.8
143.01897	29.5
145.03525	13.5
145.04988	6.3
147.04428	11.9
150.71623	2.3
153.01831	10.7
155.01898	25.9
157.03464	10.1
158.99638	12.7
161.02959	20.3
163.03922	8.1
167.01860	11.0
169.03485	7.4
170.99663	5.9
171.05028	3.3
173.01540	4.3
173.02966	27.7
177.00742	5.4
179.01915	6.3
181.03523	3.4
182.99622	2.8
185.02960	47.8
187.04497	5.5
189.00748	3.6
197.02979	18.2
201.00710	7.1
203.03951	14.6
205.03619	4.7
207.05055	3.5
209.03105	3.1
215.04019	8.5
219.01764	9.6
219.04927	3.7
221.03146	2.6
221.05080	10.2
223.04533	27.0
225.05864	3.3
227.03987	10.8
229.03491	3.4
231.01653	2.7
233.03059	2.9
235.04625	22.1
237.02913	12.3
237.06050	10.0
239.03976	2.7
241.05653	3.9
243.01813	2.5
244.04259	4.2
245.02612	5.7
245.05095	100.0
247.04492	24.7
249.02457	3.3
249.06236	2.9
251.04080	13.4
256.51840	2.4
257.05206	4.4
259.04684	3.4
261.02777	8.5
263.03787	20.7
263.06415	13.0
264.07709	5.4
265.05582	19.3
267.03476	7.5
269.05115	8.5
272.06406	3.8
273.08142	9.2
275.03702	16.5
275.06247	10.9
277.00220	3.2
277.03104	3.9
277.05731	7.2
279.03806	5.1
281.04999	36.6
282.05237	3.0
287.04517	2.9
293.05057	59.6
299.05969	3.7
303.01437	5.4
305.04871	8.6
305.07587	4.7
307.01227	3.7
311.06104	32.4
319.12369	3.3
323.05911	6.7
333.07080	2.3
335.05838	11.1
352.12927	2.4
353.07083	48.4
354.07269	2.7
362.09555	6.1
365.09207	7.8
371.08237	48.2
381.10632	4.1
389.09302	68.4
394.99252	3.7
395.08118	4.0
413.09341	77.7
415.09113	3.8
431.10196	8.5
443.10440	14.3
444.06323	6.5
454.97574	2.4
473.11435	22.4
515.06323	3.0
515.12653	37.7
533.13684	23.2
635.60828	2.8
695.19733	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	694.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	3.4
55.01868	2.9
55.05516	12.3
57.03431	17.6
60.08165	6.1
61.02914	6.1
61.60746	2.1
65.03925	3.7
65.45283	2.2
67.05509	100.0
69.03419	9.2
69.07054	7.5
71.04987	28.6
71.49837	3.8
79.05498	37.4
81.03419	48.0
81.07058	39.1
81.33628	2.4
83.04980	16.2
83.08630	22.9
85.02497	2.4
85.02920	21.8
85.06528	7.4
85.59599	2.7
86.09699	30.4
91.05480	51.9
93.07044	30.4
95.04977	24.7
95.08604	21.3
97.02877	4.1
97.06516	11.7
97.10172	5.8
99.08116	3.5
104.10729	3.0
105.07018	22.7
107.04961	6.5
107.08616	17.9
109.06487	7.3
109.10162	68.5
111.08089	13.8
113.05989	5.0
117.07003	6.0
119.08572	32.7
119.09370	3.1
121.10146	17.2
123.08039	5.1
123.11699	3.1
123.38879	2.7
125.00004	14.8
125.09606	4.1
129.07013	11.6
131.08582	10.3
133.06485	3.5
133.10127	17.8
135.11690	16.2
137.09642	12.3
142.07776	3.6
145.10114	6.9
147.08009	3.2
147.11649	16.4
149.09637	4.7
149.13248	2.5
155.10652	7.2
157.10104	16.6
163.11221	4.7
165.12723	5.5
169.12379	3.9
173.11731	8.0
175.11194	13.1
181.12175	2.9
184.07353	82.6
193.12244	28.4
211.13281	40.1
221.13152	2.8
226.03160	2.6
229.14310	5.6
243.15891	2.9
255.15918	14.1
267.15945	25.3
268.16080	3.9
269.17493	7.0
285.16943	26.2
287.18533	24.8
335.03693	3.0
343.11893	2.5
396.11719	2.5
421.25903	43.0
422.25470	2.8
429.26279	2.9
439.26892	78.7
447.21289	2.5
447.27414	49.2
452.98776	2.6
453.28354	11.9
461.28925	11.8
465.28455	64.2
479.29813	8.9
497.23932	2.7
497.31085	53.2
644.35278	11.0
694.35870	3.8
695.31116	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	693.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01867	3.7
55.05516	28.2
57.03432	5.2
57.07074	11.4
65.03948	2.2
67.05508	26.4
68.05823	2.2
69.03417	1.5
69.06741	1.7
69.07079	28.1
71.04992	4.9
71.08629	5.8
71.50112	2.6
71.50475	1.6
79.05505	18.2
81.03421	18.2
81.07060	22.0
83.04996	6.8
83.08624	25.3
85.02901	7.7
85.06538	1.6
85.10184	3.7
86.09704	1.9
91.05486	24.5
93.07047	16.4
95.04980	10.9
95.08624	12.5
97.02893	3.3
97.06536	3.1
97.10174	15.7
98.98473	11.0
99.08032	1.3
105.07035	15.1
106.07390	1.4
107.04984	2.6
107.08620	7.0
109.06494	2.4
109.10170	5.7
110.10516	1.4
111.04384	3.4
111.08086	3.3
111.11717	5.4
117.07017	1.9
119.04881	1.7
119.08601	8.4
121.10169	10.2
124.02902	1.4
129.07010	6.2
131.08566	6.6
133.06586	1.5
133.10117	8.6
135.11708	4.2
137.09637	2.4
142.07756	1.7
145.10190	2.1
147.08029	2.5
147.11694	5.8
149.09669	2.4
149.13237	1.9
155.01053	2.4
157.10135	5.2
175.11186	4.4
184.07356	6.8
191.10713	1.5
193.12241	13.6
205.58420	1.3
209.11731	6.9
211.13271	13.2
227.12833	2.1
237.22180	4.8
267.15970	6.3
311.25806	5.3
313.27380	2.0
419.14926	1.7
503.37442	12.8
521.38403	100.0
522.38623	5.1
567.36688	3.8
693.44312	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	693.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81829	0.8
53.03941	2.7
55.01865	2.9
55.05517	22.5
57.03434	3.6
57.07085	7.5
65.03944	1.1
67.05509	13.4
69.03416	1.1
69.07072	23.2
69.24963	8.2
71.04978	2.0
71.08633	5.7
79.05501	11.7
81.03426	17.4
81.07059	14.5
83.04980	5.7
83.08621	22.6
84.28561	0.9
85.02908	6.9
85.06538	1.3
85.10161	2.7
91.05484	15.9
93.07037	9.7
95.04964	8.2
95.08616	9.0
96.88167	0.8
97.06553	2.2
97.10172	14.7
98.49834	0.8
98.98492	5.4
105.07047	9.7
107.04961	3.4
107.08638	4.4
109.06528	2.2
109.10144	2.5
111.08060	3.3
111.11707	4.0
112.92099	0.9
115.05447	1.7
117.07021	1.8
119.08590	7.1
121.06561	1.0
121.10137	5.8
123.08060	1.9
129.07007	3.1
131.08562	4.9
133.06471	1.3
133.10144	5.2
135.11688	1.8
137.09671	1.3
142.07745	1.4
145.10107	1.8
147.08044	1.3
147.11702	5.5
149.09659	2.5
153.05922	0.8
155.01073	1.4
157.10127	4.9
163.11266	1.6
175.11215	5.0
184.07339	1.9
193.12251	13.2
201.16225	0.8
209.11697	1.2
211.13313	13.0
237.22218	5.3
249.14897	1.5
267.15964	5.4
279.44266	0.8
285.16699	1.0
311.25830	6.5
503.37311	9.8
521.38403	100.0
522.38690	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	692.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68740	1.1
53.03948	3.0
55.01876	2.1
55.05513	17.8
57.03439	8.8
57.07072	2.7
59.05007	1.2
61.02929	4.0
65.03948	2.1
67.05508	73.9
69.03441	2.5
69.07066	15.9
70.41274	3.7
71.04995	20.1
73.02928	2.7
73.31336	1.2
79.05495	29.0
81.03421	4.7
81.07060	100.0
83.04990	7.9
83.08628	17.1
85.02908	6.1
85.06548	7.6
88.59290	1.1
91.05485	26.0
93.07050	44.8
95.04964	3.6
95.06811	1.1
95.08611	17.4
97.02905	2.9
97.06524	10.0
97.10165	3.5
99.08133	2.8
105.07042	11.7
107.08597	31.3
107.11239	1.1
109.06541	3.4
109.10170	13.7
111.08080	5.9
117.07034	9.6
119.08576	4.6
121.06519	1.9
121.10150	16.5
123.11718	9.9
125.09644	2.8
129.05435	1.6
131.08566	5.4
133.10139	15.2
135.11716	6.1
139.11124	1.8
147.11754	1.5
149.13261	22.5
151.11200	4.9
155.10703	1.3
157.10115	1.4
159.11716	9.4
163.11140	1.7
173.11731	2.7
177.12759	4.7
183.13884	1.5
187.13290	2.0
195.13806	8.5
196.15283	1.3
209.11743	1.8
211.13315	1.1
213.14868	1.6
227.12811	1.7
229.14372	9.9
242.96815	1.2
269.17490	31.3
269.19864	1.2
301.16483	3.5
301.20163	6.8
336.56052	1.5
411.27261	1.3
423.27438	5.7
427.84421	1.3
430.21729	1.4
437.29028	47.5
451.30569	5.9
463.30582	99.1
464.30801	3.5
495.33530	37.9
513.30328	1.8
639.37341	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46997	1.4
53.03942	5.3
55.01879	8.4
55.05517	37.4
57.03435	20.4
57.07069	3.4
59.04997	3.5
61.02930	11.4
65.03947	3.5
65.78360	1.4
67.05510	100.0
68.35911	1.4
69.03429	4.8
69.07073	17.5
69.59277	1.3
71.01337	1.6
71.04997	6.0
71.08835	3.5
73.02902	5.3
77.74525	1.5
79.05499	47.6
81.03423	14.7
81.07061	82.3
83.04993	12.3
83.08624	25.8
85.02914	20.2
85.06566	4.7
87.04482	7.4
91.03968	2.3
91.05488	34.9
93.07050	50.4
95.04980	7.9
95.08619	24.9
97.02878	6.1
97.06522	13.2
97.10177	17.8
99.04481	1.9
99.08101	4.1
105.07033	13.4
107.04971	4.1
107.08602	30.2
109.02908	1.7
109.06533	2.8
109.10165	53.3
111.08086	6.7
115.05524	1.4
117.07037	8.6
119.08611	13.1
121.06495	3.0
121.10165	12.5
123.11723	3.7
125.09647	14.3
129.05478	6.9
129.07004	3.0
131.08592	7.8
133.10132	11.9
135.11713	11.0
137.09624	4.2
143.10683	2.4
145.10139	5.0
147.08003	1.9
147.11690	6.1
149.09592	2.2
149.13275	12.0
153.12744	3.7
155.10699	4.7
157.10109	2.2
159.11700	8.1
161.78510	1.6
163.11218	7.8
173.09695	2.9
173.11732	12.9
175.11052	1.5
177.12785	5.8
181.12250	3.4
191.10703	4.6
193.12193	2.5
195.13806	17.4
199.13383	8.1
209.11708	7.5
211.13330	4.6
213.15028	2.5
227.12828	6.7
229.14352	52.3
239.16405	4.0
267.15955	9.2
269.17484	60.0
270.17938	2.3
283.15393	6.1
301.16489	16.6
365.22061	2.1
393.26392	2.1
411.27441	4.0
423.27487	35.8
431.27924	3.2
495.29602	61.6
513.30597	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	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
55.05516	13.1
57.03445	13.2
61.02930	2.6
67.05507	22.6
69.03428	5.6
69.07059	8.4
69.32068	12.3
69.32472	2.8
71.04982	3.9
77.03915	1.4
79.05067	2.4
79.05495	23.9
81.03424	77.4
81.07060	26.8
83.04992	18.7
83.08160	2.4
83.08625	31.9
85.02905	28.9
85.06554	3.0
87.04443	2.4
91.04984	2.4
91.05486	27.3
93.07050	19.5
95.04974	29.6
95.08601	9.1
95.21684	1.6
97.02887	4.3
97.06538	1.8
97.10165	5.2
99.08084	2.5
105.07040	23.1
107.04948	6.6
107.08601	10.5
109.06532	7.0
109.10159	4.0
111.04449	4.8
111.08086	12.0
113.06007	3.2
114.82491	1.3
117.06963	1.9
119.07724	2.0
119.08583	25.1
121.06525	2.1
121.10141	10.4
123.08053	3.8
123.11745	2.2
125.09683	1.6
129.07037	10.1
131.08562	11.4
133.06453	3.4
133.10149	15.5
137.09616	2.9
142.07776	4.4
145.10123	2.2
147.08063	4.7
147.11697	16.5
149.09627	8.2
157.10150	20.1
165.12744	4.9
175.11224	19.3
184.07434	1.7
193.12265	52.9
211.13307	75.4
247.48422	1.4
267.13058	1.9
267.15915	32.6
285.16989	77.0
299.08344	1.7
367.22461	2.5
385.23761	4.5
403.24860	2.5
459.27448	23.8
468.85324	1.8
477.28537	35.0
495.29553	100.0
496.29639	2.9
524.67578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61879	1.3
50.97419	1.0
51.61937	1.0
53.03940	4.0
55.01883	6.5
55.05514	33.3
57.03433	17.9
57.07064	2.5
59.05001	4.5
60.12693	1.0
61.02939	7.7
61.10377	1.0
63.75036	1.1
65.03944	2.7
67.05509	100.0
69.03415	3.8
69.07072	15.6
69.61151	1.1
69.98197	1.1
71.05000	7.0
71.50567	1.5
73.02918	4.5
79.05498	42.2
81.03420	13.4
81.07060	77.0
83.04983	10.1
83.08627	22.1
85.02911	17.3
85.06535	5.1
87.04467	5.3
91.03944	3.8
91.04922	1.9
91.05479	29.6
93.07048	40.4
93.07643	1.9
95.04971	7.1
95.08614	22.2
97.02892	6.3
97.06532	10.4
97.10172	14.8
99.04434	1.7
99.08094	2.5
103.03951	2.0
105.04536	1.8
105.07034	13.3
107.04936	2.6
107.08601	27.1
109.06525	3.7
109.10164	45.5
111.04456	2.4
111.08100	7.5
116.04682	1.1
117.07028	11.4
119.06065	1.4
119.08595	10.0
121.06516	3.6
121.10162	9.9
123.08044	2.4
123.11745	3.9
125.09653	15.2
127.03931	1.8
129.05467	6.3
131.08569	8.2
133.06380	1.2
133.10133	13.5
135.08072	2.5
135.11699	10.6
137.09596	3.9
141.57848	1.1
143.10722	1.3
145.10100	4.9
147.08022	1.9
147.11699	4.1
149.09711	2.4
149.13242	10.4
153.12755	4.3
155.10704	4.2
157.10126	1.5
159.11690	6.4
163.11218	8.9
165.12839	2.6
169.88866	1.1
173.09624	2.0
173.11737	15.0
175.11218	1.4
177.12750	5.4
181.12302	3.0
184.07410	1.1
191.10725	3.4
193.12271	4.1
195.13832	17.8
199.13342	6.0
199.67906	1.2
209.11763	7.3
211.13373	2.7
213.14844	2.0
227.12787	8.8
229.14369	50.3
239.16394	4.2
267.15842	7.6
269.17499	54.6
270.18195	1.3
283.15381	3.8
297.16992	1.5
301.16507	16.9
308.60309	1.3
393.26160	1.8
411.27304	5.1
422.26474	1.6
423.27487	30.6
431.27942	2.7
495.29584	47.7
496.29648	1.5
513.30658	23.2
696.37128	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.1
55.05515	18.1
56.65319	0.7
57.03439	15.4
59.04991	1.2
61.02909	2.7
65.03944	1.5
65.04651	0.7
65.25249	0.6
67.05508	28.0
69.03432	6.6
69.07072	7.1
69.38729	0.8
71.01364	0.8
71.04997	6.4
73.02907	1.6
77.03884	0.8
79.05497	28.4
81.03422	86.1
81.07060	32.9
83.04507	1.1
83.04986	21.1
83.08623	30.8
85.02913	30.0
85.03433	0.8
85.06552	2.0
87.04482	0.9
91.03953	2.4
91.05486	40.8
93.06499	1.4
93.07052	21.2
95.04973	32.6
95.08614	12.3
96.39339	0.7
97.02880	5.3
97.06549	5.8
97.10175	5.4
98.20661	0.8
99.08066	1.5
103.05485	0.8
105.04519	1.0
105.07038	26.5
107.04961	8.1
107.08604	8.5
109.06518	6.4
109.10155	3.5
111.04428	2.3
111.08090	11.0
113.05988	2.3
113.98906	0.8
115.05418	2.2
117.07021	1.6
119.04912	1.3
119.08587	24.7
121.06497	1.5
121.09374	0.7
121.10155	11.0
123.08050	4.2
123.11701	2.5
125.09597	2.1
127.07541	1.4
128.06204	1.1
128.95949	0.8
129.07010	16.0
131.08583	16.1
133.06461	4.1
133.10121	15.5
135.11690	0.9
137.09612	3.1
142.07776	5.3
145.10085	2.8
147.08041	4.9
147.11700	18.0
149.09634	8.7
149.20285	0.7
157.10132	19.1
165.12772	4.4
175.11195	20.9
193.12253	63.5
209.60052	0.7
211.13301	100.0
212.13678	1.9
249.14912	0.8
255.13913	0.9
267.15939	38.7
268.16510	0.8
285.16983	92.4
286.17291	0.9
310.22980	0.7
367.22635	2.3
385.23669	4.6
403.24667	1.3
409.71039	0.7
433.25638	1.7
441.26868	1.0
459.27399	21.9
460.27783	0.9
477.28534	24.7
478.29214	1.1
483.17551	0.8
493.35629	0.7
495.29578	68.4
496.29990	2.9
531.72247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
55.05508	27.1
56.86858	3.8
56.87138	3.6
57.03429	13.5
57.07079	4.4
60.08145	4.0
61.02912	4.5
65.03930	6.7
67.05190	6.0
67.05512	87.2
69.03427	24.2
69.07078	26.4
69.43532	14.4
69.43958	13.4
71.04985	5.9
79.05499	53.3
81.03416	43.1
81.06598	6.1
81.07059	100.0
83.04993	26.0
83.08629	18.3
85.02902	8.2
86.09698	9.0
91.05489	50.4
93.06486	5.6
93.07047	67.3
95.04968	11.5
95.08607	51.1
95.87212	3.7
97.02880	15.1
97.06528	9.3
97.10195	6.5
105.07016	30.9
107.04923	4.2
107.08589	40.6
109.02895	9.4
109.06519	6.2
109.10150	16.1
111.04460	8.9
111.08086	7.4
117.07029	11.7
119.08604	28.2
121.06509	6.8
121.10159	28.0
123.08065	5.9
123.11721	7.2
124.99989	7.1
127.03930	7.5
129.05525	7.8
129.06984	8.5
131.08589	35.5
133.06439	5.2
133.10156	21.9
135.08092	6.4
135.11694	21.0
137.21368	4.1
141.06987	4.3
143.08553	8.0
145.06497	5.1
145.10107	14.0
147.11668	17.1
149.13277	16.5
155.08647	4.2
157.10130	7.8
159.07997	4.3
159.11757	19.6
164.47435	3.7
171.11725	9.6
173.13237	10.1
177.12689	6.4
183.11653	4.4
184.07391	33.6
195.11743	3.9
195.13779	8.8
246.22816	4.6
267.16028	5.1
269.17575	24.8
289.32132	3.9
289.35538	4.2
335.25891	23.3
337.27438	6.6
339.18152	4.3
345.24088	4.1
369.24323	8.7
387.25186	4.5
413.22052	5.3
470.85526	4.1
479.30414	5.1
519.36810	14.5
529.39020	44.0
571.38647	5.4
655.42224	4.4
673.42694	9.2
691.43604	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	12.5
55.01866	10.6
55.05511	42.3
57.03426	10.8
57.07059	7.5
60.73871	3.4
64.49632	3.0
65.03935	5.1
67.05509	100.0
69.03432	29.1
69.06807	2.5
69.07074	31.1
71.04981	9.4
71.08614	4.5
71.23518	6.9
73.02899	3.7
79.05492	54.5
80.05863	3.0
81.03423	93.5
81.07063	95.8
81.68878	2.8
83.04979	19.9
83.08619	30.5
85.02919	16.9
85.06541	6.7
86.09678	3.9
87.04440	3.4
91.05491	56.5
93.07043	48.2
95.04974	23.7
95.08615	59.6
97.02871	20.3
97.06528	8.9
97.10152	11.1
98.98470	5.0
99.04446	7.7
105.07027	45.3
105.76095	3.0
107.04964	10.2
107.08591	23.4
109.02872	14.9
109.03542	3.0
109.06518	4.3
109.10157	24.7
111.04436	16.5
111.08065	11.3
117.06991	12.1
119.07867	3.7
119.08593	28.7
121.06522	5.2
121.10117	27.7
123.04412	4.4
123.08046	3.9
123.11708	10.9
125.09658	4.5
127.03865	7.3
129.07022	12.7
131.08574	24.8
133.06570	3.3
133.10158	18.9
135.11725	17.7
137.09575	5.9
137.13258	4.4
142.07768	4.3
143.08592	5.4
144.69188	3.2
145.06516	6.2
145.10175	17.0
147.11711	22.8
149.09616	6.8
149.13246	5.1
155.08557	5.7
157.10091	17.0
159.11670	7.7
161.13318	4.1
163.11143	7.0
163.14856	3.9
165.12674	7.0
171.11713	4.5
173.04422	5.1
175.11240	10.8
184.07329	11.2
185.13177	3.7
187.07463	3.6
187.14822	4.0
191.10629	5.1
193.12251	30.8
209.11761	22.8
211.13278	40.7
215.14333	4.7
227.12704	9.0
263.23627	3.6
267.15921	10.8
275.19824	3.3
285.16943	11.3
303.23346	5.6
337.27460	16.2
355.17554	3.9
371.25644	10.1
389.26849	5.7
411.20142	4.7
463.30450	6.0
519.36749	24.3
529.38538	13.0
547.39484	6.8
593.59723	3.1
655.41602	5.5
673.42615	10.6
691.44385	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83261	3.7
53.03945	11.5
55.01869	6.7
55.05511	50.1
55.71711	3.8
57.03434	18.1
57.07059	8.2
59.22018	4.5
65.03938	5.3
67.05508	98.7
68.02550	4.0
69.03429	25.1
69.07065	41.1
69.25587	13.0
69.26003	23.4
71.04982	11.8
79.05497	69.4
81.03419	53.1
81.07059	100.0
83.04984	38.8
83.08623	31.8
85.02914	8.7
85.06512	6.0
91.05481	61.1
93.06490	6.9
93.07047	97.2
95.04974	10.6
95.08611	73.9
97.02895	13.3
97.06517	11.8
97.10193	16.6
98.98461	11.7
99.04456	7.4
99.08077	7.0
99.77435	3.7
105.07030	34.0
107.04930	8.2
107.08594	45.3
109.02873	8.1
109.06529	9.3
109.10167	18.0
109.88995	4.1
111.04444	5.6
111.08091	8.4
117.07029	25.7
119.08600	31.6
121.06521	7.5
121.10144	37.5
123.11719	6.6
127.03917	8.9
128.06204	4.1
129.05481	17.7
129.07013	7.6
131.08574	17.9
133.10150	21.8
135.11679	36.8
137.09572	6.8
143.08578	7.6
145.06523	4.9
145.10149	26.5
147.11684	22.2
149.13278	26.9
155.01120	4.5
157.10092	4.1
159.08051	5.0
159.11699	19.2
163.11252	22.6
171.11708	6.5
173.11705	4.3
173.13290	8.6
175.14804	5.6
177.12836	8.6
184.07417	9.4
195.13776	14.1
209.11697	4.1
227.10773	3.9
227.12753	23.1
230.14824	5.5
257.15079	4.0
261.22165	8.6
267.15945	8.9
269.17572	19.2
283.15250	4.5
311.25684	4.3
313.21991	4.0
335.25833	36.2
413.21689	6.6
519.36841	70.1
520.37201	5.3
529.38947	60.5
530.38928	4.4
591.70917	4.9
673.42792	7.3
691.43781	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50494	3.3
53.03937	12.3
53.54393	3.4
55.01865	6.9
55.05512	40.8
57.03436	19.0
57.07070	4.8
58.40730	3.7
65.03925	5.5
67.05509	95.7
69.03421	26.1
69.07067	45.0
70.06561	18.3
71.04974	8.3
73.45429	3.3
79.05498	69.9
81.03422	49.3
81.07063	100.0
83.04981	37.0
83.08620	29.0
85.02885	9.4
91.05484	48.5
93.07044	83.7
95.04961	12.2
95.08611	66.7
95.36779	3.5
97.02876	17.6
97.06554	11.9
97.10170	10.6
98.20647	3.8
98.98476	5.8
99.04468	7.2
99.08095	5.3
105.04480	4.2
105.07040	35.2
107.04964	8.5
107.08601	42.5
109.02879	3.9
109.10185	19.4
111.04451	8.3
117.07035	20.9
119.08569	30.6
121.06471	8.2
121.10144	29.0
123.11704	13.0
125.09697	4.3
127.03882	5.7
129.05492	13.3
129.07007	7.8
131.08537	19.3
133.06479	4.0
133.10144	22.3
135.07983	4.5
135.11699	32.0
143.08629	4.9
145.10136	21.9
147.11696	12.2
149.13260	26.6
157.10130	6.7
159.11716	16.6
161.13239	9.4
163.11171	11.4
165.12709	6.2
171.11719	6.6
173.13232	9.2
177.12747	6.3
181.12292	5.9
184.07349	8.8
195.13820	9.4
213.16388	4.5
220.40503	4.2
227.12778	17.3
259.20364	4.9
261.21979	6.0
267.15903	11.0
269.17554	23.2
275.16388	4.6
283.15625	5.1
301.21625	3.7
302.80426	3.8
335.25815	39.3
337.27103	5.4
351.22961	4.9
413.21561	8.4
479.29358	4.3
519.36749	59.7
527.39087	3.9
529.38959	62.9
637.88141	4.1
655.41461	5.4
673.42603	11.3
691.43634	27.6
709.68140	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	691.403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
53.03948	1.2
55.01868	1.3
55.05524	3.6
57.03451	2.9
57.07080	0.9
59.05009	0.5
61.02930	5.4
65.03944	1.1
67.05508	13.6
69.03436	4.3
69.07074	2.8
71.01355	0.7
71.05001	1.2
71.49663	0.4
71.50052	0.9
73.02921	3.8
79.05497	6.4
81.03424	5.5
81.07062	9.1
83.04971	1.4
83.08624	2.8
85.02903	5.4
85.06557	0.9
86.09729	0.5
86.41489	0.4
87.04469	0.5
91.03950	3.4
91.05481	3.9
93.07055	5.6
95.04990	1.6
95.08609	5.6
97.02891	5.9
97.06509	0.8
97.10190	1.2
98.37246	0.5
98.98492	1.8
99.04458	1.8
101.02395	1.7
105.07048	3.1
107.04943	0.8
107.08617	4.5
109.02869	1.6
109.06522	0.7
109.10162	6.7
111.04480	0.7
112.29115	0.5
115.03965	0.5
117.07023	1.3
119.08572	3.1
121.10172	3.1
121.82392	0.4
123.11713	0.8
125.00038	0.7
126.05502	0.4
127.03917	2.2
129.07040	0.7
129.62505	0.4
131.08611	1.2
133.10150	1.4
135.11697	1.7
145.04985	1.0
145.10149	1.5
147.08078	0.6
147.11739	1.0
149.13281	0.9
155.01012	0.5
155.10709	0.6
157.10133	0.5
159.11699	0.6
163.11200	0.5
167.21808	0.4
173.04472	0.7
173.11713	0.6
173.13272	0.5
184.07321	2.3
185.04219	0.6
186.07805	1.0
191.10710	0.5
193.12263	1.6
195.09952	0.6
203.05287	0.7
209.11775	1.2
211.13263	2.1
227.12799	0.7
229.14354	0.6
243.08417	1.7
265.14377	0.7
267.16144	0.5
283.15402	0.6
311.25848	0.7
335.25702	0.6
337.27304	0.5
355.17520	0.8
362.00787	0.4
375.98553	0.5
405.26447	0.4
413.17764	5.3
501.35733	0.6
519.29370	8.2
519.36957	2.4
673.43231	0.7
691.40277	100.0
692.40637	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	691.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01866	1.7
55.05521	3.1
57.03249	0.3
57.03442	3.4
57.07079	0.8
60.08156	0.4
61.02930	4.5
63.97104	0.4
65.03942	0.6
67.05514	12.1
69.03430	3.4
69.07075	3.2
69.24355	3.9
71.01342	0.6
71.04992	1.1
71.08646	0.5
73.02924	4.4
79.05499	4.5
81.03426	4.7
81.07056	6.9
83.04965	1.1
83.08630	3.0
83.92117	0.4
85.02908	4.8
86.09713	0.8
87.04467	0.5
87.10010	0.4
91.03948	3.1
91.05497	3.4
93.07050	4.8
95.04983	1.1
95.08617	4.5
97.02914	5.9
97.06529	1.0
97.10162	1.0
98.21461	0.8
98.98491	2.3
99.04474	1.1
101.02386	2.4
105.07030	2.7
106.53883	0.4
107.04961	0.7
107.08627	2.5
109.02889	1.0
109.06525	0.6
109.10172	9.1
111.04451	0.7
113.23573	0.5
115.03989	0.5
117.07034	0.8
119.08595	2.3
121.10176	2.2
123.11744	0.7
125.00044	0.4
125.19087	0.4
127.03934	1.8
129.05476	0.4
129.06999	0.7
131.08592	1.5
133.10143	1.2
133.55991	0.4
135.11731	1.5
145.10117	1.0
147.11749	1.0
149.13274	0.6
155.01013	0.5
155.10696	0.9
160.64192	0.4
163.11212	0.9
173.11819	2.0
181.12300	0.6
184.07329	2.0
185.04265	0.7
191.10710	0.9
193.12311	0.6
195.10005	0.8
205.06522	0.4
209.11763	1.5
211.13351	1.3
218.69107	0.4
227.12886	0.7
229.14363	1.1
243.08456	1.3
283.15286	0.6
308.29572	0.4
311.25928	1.2
335.25873	0.7
353.24637	0.5
413.17871	9.5
501.35901	1.5
519.29388	4.9
519.37085	3.4
529.93781	0.4
691.40308	100.0
692.40698	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	690.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25385	0.2
55.05507	0.6
56.05026	0.7
57.07079	0.2
58.06597	0.3
60.08170	6.1
67.05502	0.8
69.07077	0.4
71.07374	3.1
71.08612	0.2
71.50347	0.3
73.61371	0.2
79.05489	0.5
81.03445	0.2
81.07060	0.8
83.00402	0.2
83.08619	0.5
86.09711	30.4
91.05492	0.3
93.07055	0.8
95.08609	0.7
98.98469	2.9
104.10756	2.9
107.08595	0.6
109.10234	0.2
117.07075	0.2
119.08607	0.4
121.10132	0.4
125.00014	19.4
131.08543	0.3
135.11673	0.4
145.10178	0.2
163.11205	0.6
182.42708	0.2
184.07352	100.0
185.07787	0.5
227.12790	0.7
251.91414	0.2
304.24579	0.2
519.36786	2.2
690.34924	0.3
690.47095	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	691.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00263	1.2
53.03950	2.4
55.01868	4.3
55.05264	1.8
55.05514	17.5
57.03428	2.9
57.07059	3.9
60.08153	5.9
67.05227	1.2
67.05511	11.8
69.07066	15.6
71.04967	1.9
71.07377	3.4
71.08626	2.9
71.50070	1.2
72.07713	1.3
79.05494	13.6
81.03452	2.6
81.07063	12.7
83.04996	3.3
83.08617	12.6
86.09714	33.0
87.10028	4.0
89.22245	1.2
91.05495	6.7
93.07052	17.0
95.04987	3.1
95.08604	15.4
97.02893	1.7
97.06543	3.0
97.10194	6.6
98.98478	6.6
99.04417	1.4
104.10754	3.4
105.07027	4.8
107.04973	3.9
107.08624	9.5
109.10188	3.6
111.11742	2.2
117.06992	3.7
119.08582	3.9
121.06491	1.9
121.10143	5.5
125.00006	22.2
126.00307	1.7
128.98117	1.2
131.08580	1.9
133.10098	2.3
133.38246	1.4
135.08116	1.8
135.11696	17.7
143.08664	1.3
145.10141	12.6
147.11729	1.5
163.11169	22.2
165.19276	1.3
181.12303	3.7
184.07353	100.0
185.07701	13.7
185.09229	1.8
209.50826	1.2
227.12801	29.1
237.22211	2.9
275.72562	1.3
276.17853	1.2
286.98315	1.3
306.56213	1.2
311.25787	1.5
395.90469	1.4
519.36841	76.8
520.37292	1.8
529.39252	1.5
546.84296	1.3
553.94501	1.2
691.47241	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	690.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01873	4.1
55.05510	14.4
57.03437	13.1
67.05511	23.1
69.03414	3.1
69.07078	8.0
69.69535	1.3
71.01807	2.2
71.02135	2.0
71.04987	4.6
79.05498	36.8
79.32157	1.5
81.03422	37.5
81.07059	28.0
83.01313	1.5
83.04971	12.3
83.08625	23.7
85.02913	15.3
91.04922	1.5
91.05486	24.9
93.06513	1.4
93.07046	36.4
95.04971	21.7
95.08609	33.1
95.50214	1.5
97.02897	5.2
97.06531	6.4
97.10201	3.1
99.04453	3.3
105.07026	17.7
107.04948	11.2
107.08601	26.7
109.06522	5.6
109.10135	3.8
111.04433	3.1
111.08041	7.1
115.05425	1.9
115.29159	1.6
117.07031	7.2
119.08591	21.5
121.06524	6.1
121.10158	14.0
123.08047	2.6
123.11716	2.5
125.05984	2.5
126.30242	1.4
129.07010	6.8
131.08539	6.3
133.10120	9.0
135.08029	2.8
135.10709	2.7
135.11693	35.1
145.10129	27.5
147.08026	2.1
147.11693	12.1
149.09621	6.1
149.86662	1.8
157.10132	10.0
158.34094	1.7
163.11191	52.1
173.13295	1.5
175.11130	9.1
177.23451	1.6
181.12257	7.1
193.12256	28.1
209.11826	3.3
211.13298	37.3
227.12794	59.6
267.15948	32.2
283.15421	62.1
283.18579	3.3
285.16983	55.1
456.36133	1.7
463.80582	1.7
475.26941	29.2
493.27985	100.0
494.28192	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	690.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01867	4.3
55.05509	15.8
57.03439	11.4
59.04997	1.7
61.02919	3.5
65.03928	1.5
67.05507	14.4
69.03418	3.1
69.07066	5.1
70.05490	2.8
71.04985	4.2
73.02898	1.5
73.06532	0.8
79.05491	21.5
81.03418	42.0
81.07056	21.0
83.01341	5.0
83.04982	14.4
83.08618	19.9
84.68207	0.8
85.02442	1.4
85.02910	17.0
85.06557	1.9
91.03950	1.9
91.05485	22.0
93.07047	20.9
95.04976	17.1
95.08616	11.0
97.02905	5.0
97.06564	4.2
97.10162	2.3
98.10472	0.9
98.21494	0.9
99.04462	2.3
99.08072	1.0
105.07025	16.9
107.04966	8.0
107.08591	11.8
109.06511	6.4
109.10150	2.0
111.04472	1.9
111.08093	6.2
113.06021	1.4
115.05412	1.1
116.14066	0.7
117.07020	5.7
119.08585	13.0
121.06517	2.6
121.10152	8.4
123.08047	5.5
123.11693	1.4
125.06001	1.5
125.09608	1.3
129.07028	5.5
131.08557	7.9
132.78885	0.9
133.06523	1.7
133.10143	7.1
135.08090	2.1
135.11685	8.7
137.09630	1.8
138.65964	0.7
142.07803	1.7
145.10144	10.2
147.08037	3.3
147.11664	7.6
149.09563	2.3
151.11232	1.0
153.12776	1.9
155.08586	0.9
157.10139	8.6
163.11160	15.9
165.12733	1.9
167.88222	0.7
173.09622	2.6
175.11200	8.7
181.12256	2.3
193.10457	1.2
193.12250	26.6
209.11670	4.4
211.13293	42.4
212.13644	0.9
215.87495	0.9
227.12833	2.7
231.13651	0.7
245.10515	0.8
249.15083	0.8
267.15918	11.3
283.15402	66.6
284.15930	1.2
285.16965	37.6
328.72983	1.0
383.22003	3.9
401.23242	1.7
450.29950	0.9
450.69119	0.9
457.26047	4.4
475.26956	15.8
493.27982	100.0
494.28452	3.6
571.33228	1.0
690.36450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34337	2.6
53.03960	13.4
55.01868	6.2
55.05513	25.1
57.03425	11.4
57.07072	2.5
58.13405	2.8
65.03939	3.9
67.05509	67.6
68.89292	2.3
69.03428	35.6
69.07071	17.3
69.72201	14.1
71.04978	7.6
77.03849	2.3
79.05080	4.5
79.05505	63.1
81.03426	100.0
81.07061	67.6
83.04995	19.4
83.08632	18.4
85.02914	17.0
91.05485	59.8
93.07054	59.5
95.04984	27.1
95.08618	47.6
97.02895	21.2
97.06532	5.0
97.10188	6.3
99.04436	7.5
99.08062	2.8
105.07036	41.4
107.04942	9.0
107.08593	38.0
109.02885	15.0
109.06512	8.1
109.10188	16.4
111.04454	14.0
111.08074	11.2
113.05954	3.4
115.05434	2.9
117.03358	2.6
117.07010	15.2
119.08588	34.0
121.06511	5.6
121.10168	26.7
123.04457	2.5
123.08036	4.5
123.11703	6.2
127.03910	14.9
129.05502	5.1
129.07013	15.4
129.23543	2.4
131.08580	27.8
133.06523	5.5
133.10138	24.2
135.07986	2.5
135.11714	17.4
137.09561	3.7
142.07765	3.8
143.08574	8.8
145.06532	2.7
145.10123	18.6
147.08069	3.6
147.11699	24.7
149.09560	4.6
149.13263	7.1
153.12793	3.7
155.08521	4.9
157.06461	3.0
157.10152	16.4
159.11720	12.3
161.13304	5.4
163.11172	7.0
165.12766	6.2
169.10088	4.2
171.11694	6.9
173.04488	5.4
173.13216	7.5
175.11235	13.8
181.12238	3.1
183.13785	2.5
185.13322	4.8
187.11227	4.0
187.14743	4.2
191.10620	4.0
193.12268	49.0
211.13310	62.5
227.12775	5.1
243.21010	3.4
261.22049	5.5
267.15952	8.3
277.21469	4.1
283.15335	3.1
285.17004	12.7
335.25775	16.8
337.16473	3.0
351.23315	6.6
355.17462	9.5
369.24176	9.7
387.25159	5.5
411.20023	5.2
435.32663	3.3
443.27698	4.4
461.29062	5.2
487.68832	2.9
527.37433	12.8
544.11853	2.7
545.38397	12.7
653.40222	6.5
671.41394	5.8
689.42651	78.8
690.43054	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	3.2
53.03950	15.3
55.01860	10.9
55.05275	2.7
55.05518	33.6
55.18766	2.1
57.03428	10.2
57.07063	2.4
59.05009	2.6
60.61448	1.9
61.02919	2.3
65.03932	2.7
65.72450	2.2
67.05509	75.3
69.03436	38.5
69.07071	25.1
69.46439	18.9
69.46790	2.8
71.04989	8.7
79.05498	76.4
80.93667	2.4
81.03423	100.0
81.07061	79.8
83.04980	24.9
83.08620	25.5
85.02908	22.1
85.06514	3.7
87.04469	4.4
87.43932	2.1
91.05490	65.4
93.07052	77.3
93.07650	4.3
95.04966	33.7
95.08609	52.2
96.59562	2.1
97.02892	22.2
97.06548	10.9
97.10172	8.6
99.04472	6.7
99.08117	3.6
101.38779	2.2
105.04568	3.3
105.07037	53.8
107.04980	9.5
107.08601	37.8
109.02895	14.6
109.06536	9.3
109.10164	23.1
109.13571	2.5
111.04439	15.3
111.08132	7.8
113.06004	2.7
115.59737	2.5
117.07024	18.8
119.08585	39.4
121.06538	7.1
121.10157	25.1
123.08068	6.0
123.11732	8.4
125.03695	2.5
125.09641	4.9
127.03954	8.9
128.06247	5.0
129.05475	2.7
129.07002	21.2
130.64740	2.3
131.08554	35.6
133.06505	4.7
133.10133	26.6
135.08066	6.7
135.11754	12.6
137.09694	3.8
141.07024	6.6
142.07796	5.3
143.08537	13.6
145.06531	3.8
145.10143	23.2
147.08063	7.0
147.11687	37.6
149.09663	10.9
149.13286	5.9
153.12785	3.1
155.08534	5.2
157.10126	19.9
159.08101	3.2
159.11717	14.8
161.13300	10.2
163.11246	5.5
165.12791	7.4
167.08644	3.7
169.10158	5.2
171.08086	5.7
171.11771	8.0
173.04550	3.2
173.09756	4.3
173.13313	7.5
175.11197	15.0
175.14783	2.5
177.12729	2.8
181.12288	5.4
183.11691	5.6
185.09756	2.8
185.13390	4.1
187.11102	3.1
191.10703	5.5
193.12260	48.4
193.13875	3.5
195.11728	2.6
197.13318	5.1
209.13402	3.5
211.11420	2.7
211.13289	69.7
213.12698	3.5
223.33942	2.3
227.12778	5.3
229.14439	6.9
235.17197	2.9
243.21227	2.7
245.15540	2.9
249.14906	3.0
261.22150	5.9
267.16031	9.0
283.20584	2.5
285.16989	11.6
289.21878	2.7
301.21692	2.9
315.23331	3.7
317.24655	3.3
330.83963	2.2
335.25928	12.9
341.24988	3.1
345.24664	3.7
351.23169	9.5
355.17654	8.3
369.24118	13.8
387.25348	7.7
405.26636	4.0
411.20325	3.7
443.27936	4.7
461.29193	5.5
527.37463	7.9
545.38428	9.4
641.40771	3.3
653.40161	12.7
671.41754	15.7
689.42706	83.3
690.42456	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	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	17.4
53.27414	6.0
54.27405	5.3
55.01878	9.0
55.05513	35.0
55.24606	4.8
56.36966	5.4
57.03446	15.7
57.07066	7.8
65.03933	8.7
65.46941	5.1
67.05511	100.0
69.03442	28.9
69.07059	24.0
70.10168	6.7
71.04987	12.4
79.05500	86.5
79.14819	5.5
81.03420	90.6
81.07059	91.6
83.04979	24.1
83.08629	27.5
85.02901	23.3
91.05482	84.6
93.07044	83.2
95.04972	69.6
95.08622	55.3
97.02900	12.9
97.06518	12.5
97.10163	9.1
97.84592	6.3
99.04492	7.9
105.07050	45.6
107.04946	16.6
107.08595	40.5
109.02914	14.4
109.06529	9.1
109.10159	29.7
111.04456	16.7
111.08105	10.0
117.07014	17.9
119.08598	37.7
121.06505	10.8
121.10178	34.2
123.04431	26.0
125.09622	7.2
127.03930	8.0
128.06197	5.8
129.05501	6.7
129.07031	15.7
131.04907	6.0
131.08565	46.8
133.06578	6.0
133.10118	20.7
135.11694	19.3
143.08562	7.2
145.10107	19.7
147.11702	26.3
149.09633	8.3
149.13254	11.6
157.10158	16.9
159.11671	17.6
163.11150	13.2
170.80029	6.4
171.11684	13.3
173.09645	6.7
173.13251	9.6
175.11159	19.1
183.11769	6.1
184.07344	10.4
193.12286	45.1
193.43739	5.5
207.13802	7.3
211.13255	61.5
227.12823	8.5
229.14345	8.5
235.13222	29.1
249.14786	7.1
259.13333	7.7
261.22144	8.6
267.16144	8.3
273.14795	16.2
283.13168	5.9
285.16907	7.1
301.14413	17.4
335.25830	25.2
337.16119	6.7
355.17514	9.3
369.23822	10.8
411.19739	7.4
483.21338	11.6
545.38513	6.6
635.38916	9.4
635.76563	6.0
653.39691	11.2
671.41467	11.8
689.32819	52.6
689.43188	50.3
690.33026	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	689.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50247	0.8
74.09728	0.9
81.03444	0.4
81.07071	0.4
85.02916	0.9
93.07101	0.4
108.09013	0.4
137.05975	0.8
145.10156	0.5
185.04259	0.5
203.20973	0.4
206.06485	0.4
206.49742	0.4
229.70399	0.4
231.46698	0.4
279.09500	0.4
371.73245	0.5
454.46881	0.5
465.33597	2.5
483.34503	2.0
509.32458	2.8
527.33472	35.0
528.33826	1.5
689.38745	100.0
690.39087	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	689.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93766	2.1
51.50499	2.1
53.03942	4.4
55.01869	4.6
55.05518	18.3
57.07083	15.9
59.14742	2.6
64.43262	2.4
67.05505	24.0
69.07075	15.6
71.08617	8.2
75.66421	2.6
79.05502	26.7
81.03414	19.1
81.07060	25.6
83.04996	4.7
83.08627	15.6
85.10168	4.9
86.09708	4.4
89.06006	3.8
91.05498	21.5
92.27555	2.2
93.07053	16.4
95.04980	8.6
95.08607	16.0
97.10163	10.4
98.20731	4.6
98.98493	3.1
105.07002	14.8
107.04984	3.0
107.08582	6.2
109.10155	3.8
117.06958	3.1
119.08578	8.9
121.10159	7.3
124.99963	3.0
129.06972	6.8
131.08545	3.9
134.98189	41.9
135.11693	3.7
144.72000	2.6
145.10249	3.3
147.11678	5.8
158.67578	2.5
171.11699	3.7
184.07339	13.5
193.12277	2.9
237.22150	4.9
311.25745	3.1
505.39050	12.3
517.38922	80.2
527.37109	86.0
577.40765	49.9
578.41125	2.6
639.36304	100.0
659.06561	2.7
689.40417	17.1
689.50043	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	689.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	0.9
67.05508	1.2
70.88391	0.7
71.51080	1.0
79.05486	0.8
81.07050	0.8
83.08621	1.4
89.06040	1.0
91.05502	1.7
93.07014	0.9
95.08602	0.9
107.08620	0.7
134.92079	0.8
185.26955	0.8
186.27756	0.8
188.88008	0.9
431.18250	0.9
439.62762	0.8
444.61609	0.9
449.18985	0.9
454.17642	1.7
455.18549	2.4
455.84277	0.8
457.24435	1.2
459.21811	3.4
460.22604	1.3
469.20139	4.3
470.21121	2.5
483.21814	13.2
484.22473	7.1
485.23587	3.2
527.24591	1.1
527.37164	1.3
533.25818	2.4
543.24084	2.7
544.25574	0.9
556.24445	1.2
557.25867	2.5
571.27155	1.7
574.14490	0.9
585.24457	1.2
587.26636	1.1
592.27313	4.5
616.26862	10.4
617.27673	4.5
629.30847	3.7
631.29810	1.2
639.35797	1.0
660.29602	1.1
689.33331	100.0
690.33435	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	689.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.5
69.03465	0.7
69.22409	0.6
72.83958	0.6
79.05505	1.0
81.07070	1.8
83.08629	0.7
89.06007	0.7
91.05499	1.0
93.07041	1.4
95.08604	1.7
98.20740	1.6
105.07037	1.1
107.08629	1.0
109.10120	0.6
121.10166	0.8
125.00027	0.8
172.97061	0.6
193.12195	0.8
265.82120	0.8
298.13721	0.7
427.19025	0.8
439.15744	0.6
441.20975	1.0
443.22266	1.1
454.18085	1.0
455.18143	1.2
456.23828	1.0
457.19943	1.2
459.21967	3.9
468.19360	1.2
469.20316	2.6
470.21365	2.5
483.21826	16.6
484.22427	7.6
485.23596	3.3
497.23172	0.9
499.25229	1.6
512.22046	0.7
513.26208	0.8
527.24182	1.0
533.25653	3.0
541.26434	0.8
543.24011	1.8
556.24963	1.4
557.25580	2.2
571.26788	1.1
587.27368	1.0
592.26959	1.3
601.28424	1.1
616.26776	10.1
617.27429	4.9
629.31055	2.3
631.29114	1.2
671.32990	0.8
689.33368	100.0
690.33649	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19392	1.2
56.96572	1.2
68.86359	0.9
69.03407	3.1
71.47706	1.0
71.48153	2.2
82.99866	1.5
85.02905	4.9
96.91615	0.9
97.02895	2.7
98.97572	2.1
101.00873	12.5
109.02863	1.2
113.00876	4.9
115.02409	1.6
119.01936	11.3
127.02422	3.2
127.03914	3.4
129.03958	1.6
131.01895	7.4
133.03490	2.0
139.02414	1.7
143.01903	20.7
143.02951	2.0
145.03467	8.0
145.05035	1.1
153.01859	1.9
155.01897	18.4
156.02628	1.7
157.03502	6.0
157.07133	2.8
161.02969	11.8
167.01897	6.6
169.03465	3.0
171.05026	2.6
173.02980	13.1
173.06636	3.7
175.04530	1.9
175.08163	6.8
176.06036	1.5
179.01862	2.3
181.07071	4.7
183.05029	1.2
185.02957	20.6
185.06590	5.9
186.03223	1.2
187.02934	1.2
187.04503	4.0
193.07118	3.5
193.09196	1.7
195.08591	1.3
197.02917	4.8
199.04614	1.4
199.08185	23.3
200.04439	1.2
201.06122	1.7
201.09734	9.1
203.04044	15.1
203.07671	4.4
209.06599	1.5
211.08167	26.0
213.09790	7.2
215.04074	4.4
217.09215	5.5
221.05074	17.2
223.08034	2.3
225.09743	2.7
227.04083	5.5
227.07637	3.8
229.09245	9.5
231.10736	1.4
235.08127	2.6
239.03986	1.5
241.09265	10.0
243.10893	1.4
245.05092	45.5
245.08905	2.8
253.09221	6.2
257.05051	2.5
257.08710	6.1
259.06671	2.6
259.10272	2.6
263.06223	7.0
273.08273	6.2
275.06183	4.0
275.09766	13.8
275.11969	1.1
283.10275	27.0
285.08109	2.4
287.09683	3.5
301.11331	100.0
302.11542	3.2
303.09186	4.4
305.07199	2.4
319.12381	58.7
320.12692	1.9
321.09995	1.7
329.10803	6.2
335.07809	1.4
347.11890	33.0
348.12155	1.2
361.13364	3.1
362.09631	2.0
365.12970	92.5
366.12881	2.4
389.13312	2.2
407.14023	61.5
408.14154	1.7
419.13956	5.5
437.15085	12.1
467.16269	7.8
491.15909	3.8
509.17249	9.7
527.18311	7.5
528.81921	1.3
599.20251	1.4
689.23138	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	688.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.05512	18.5
57.03433	14.6
57.07076	4.7
57.74975	1.3
59.04993	2.9
61.02923	2.8
65.03947	2.2
67.05508	97.1
69.03445	2.6
69.07070	18.0
69.91343	5.8
71.04993	3.7
71.08641	2.2
79.05495	11.0
81.03431	2.4
81.07059	44.5
83.05005	1.7
83.08630	12.4
85.02900	4.6
85.06552	3.1
86.09710	4.4
89.06019	2.2
90.74318	1.0
91.03961	2.2
91.05493	12.2
93.07043	13.3
95.04951	2.2
95.08611	33.5
97.02882	3.5
97.06526	3.1
97.10168	4.7
99.08109	2.5
105.07072	6.3
105.07672	1.2
107.08585	6.9
109.10163	73.2
110.10461	2.0
110.17149	1.2
111.08088	3.3
119.08578	10.7
121.10163	5.3
123.11715	4.5
125.00009	4.9
125.09604	2.1
125.49361	1.2
133.10110	6.0
135.11740	3.0
137.09651	2.6
144.05708	1.1
147.11688	3.2
149.13260	2.4
151.14890	1.5
155.10699	6.4
161.13229	1.9
173.11739	17.4
173.13153	1.5
184.07343	17.5
227.12950	1.8
229.14360	100.0
245.22826	2.7
263.23679	5.3
308.29514	2.1
337.27365	81.5
338.27570	1.7
418.51120	1.6
420.85495	1.3
468.37134	1.6
491.37347	92.2
492.37534	2.3
688.44434	2.2
689.42163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.7
55.05509	21.6
57.03431	15.7
65.03954	3.4
67.05512	53.1
69.07072	11.7
71.04971	5.5
71.50253	6.7
75.97765	3.4
79.05499	77.0
81.03427	59.8
81.07059	46.7
83.04995	21.1
83.08630	21.5
85.02897	15.2
91.05486	62.5
93.07051	68.7
95.04974	41.4
95.08620	22.5
95.19779	3.6
97.02931	5.9
97.06535	7.1
97.10159	4.9
105.04501	4.0
105.07033	50.1
107.04961	10.3
107.08607	14.6
109.06538	11.6
109.10154	7.1
117.07052	7.8
119.08577	34.6
121.06490	4.5
121.10176	11.7
123.08125	5.3
129.07014	21.6
131.08569	13.4
133.10146	13.9
135.11688	4.2
143.08556	8.0
145.10117	9.7
147.11690	39.6
157.10123	10.4
161.13306	9.9
162.60168	3.1
171.11670	20.8
175.11192	11.2
189.12761	10.9
193.12241	33.4
207.13863	33.7
211.13309	37.7
227.83824	3.8
230.24837	7.9
263.17395	3.2
267.15933	34.9
281.17490	100.0
285.17087	31.3
311.61148	3.2
403.02808	4.0
448.26230	3.8
473.29074	78.9
482.51141	3.7
491.30084	89.6
636.93213	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	688.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
53.19998	1.1
55.05512	14.3
57.03436	9.3
57.07071	2.9
59.04997	2.6
60.08172	1.4
61.02927	4.9
65.03951	1.2
67.05507	82.1
69.03422	2.5
69.07069	13.8
71.04990	2.7
71.50549	2.1
74.48305	1.2
79.05490	8.8
81.03450	1.7
81.06598	2.1
81.07056	31.4
83.08617	10.5
85.02909	3.1
85.06568	1.9
86.09711	9.0
89.06029	2.1
91.05486	8.5
93.07053	11.9
95.08614	25.0
95.61497	1.2
97.02880	1.6
97.06520	1.5
97.10181	4.7
102.01519	1.1
105.07040	6.2
107.08612	6.9
109.10163	65.6
111.08123	2.5
119.08597	10.0
121.10170	3.4
123.11701	3.6
124.99997	6.9
133.08585	1.9
133.10161	3.6
135.11726	2.2
136.21143	1.2
137.09657	3.9
137.13257	1.7
147.11668	2.7
149.13249	1.6
152.32549	1.2
155.10667	6.5
161.13240	1.4
163.14841	1.5
173.11745	15.6
184.07353	35.4
227.12762	2.3
229.14351	100.0
230.14728	2.1
245.22650	2.0
263.23737	3.4
305.66168	1.3
308.29443	2.2
337.27365	65.1
455.60553	1.4
491.37354	48.7
492.37567	1.5
509.38699	1.3
545.38281	1.9
688.46515	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.8
55.01865	10.8
55.05513	35.5
56.23418	2.2
57.03423	9.5
60.08178	2.6
61.38661	2.4
65.03939	8.0
67.05510	70.6
69.03439	26.6
69.07075	23.1
71.04981	8.8
71.50645	3.3
73.02924	2.7
77.03879	2.8
78.36268	2.4
79.05024	2.7
79.05495	71.3
81.03422	74.5
81.06602	4.4
81.07059	65.8
83.04986	20.1
83.08624	15.4
85.02896	8.6
86.09685	7.0
91.05481	54.5
93.07047	65.5
95.04984	18.1
95.08611	45.9
96.08982	2.6
97.02902	21.6
97.06530	8.2
97.10173	9.2
99.04454	8.9
103.05484	3.8
105.07044	36.6
107.04960	12.0
107.08591	36.7
108.28992	2.6
109.02876	13.8
109.06485	11.0
109.10164	18.6
111.04437	15.4
111.08083	5.3
114.53145	2.4
115.05437	6.9
117.07026	21.0
119.08585	34.3
121.06478	7.9
121.10154	30.8
123.04406	5.1
123.08064	5.6
123.11665	3.7
124.99995	7.0
125.09631	9.6
127.03914	13.6
129.07011	8.4
131.08568	27.9
133.06512	2.6
133.10106	20.7
135.08037	6.6
135.11726	26.8
137.09616	5.3
142.07823	3.8
143.08572	9.3
145.06480	6.8
145.10138	28.0
147.08041	6.9
147.11737	15.0
149.09608	6.4
149.13206	7.4
153.12741	11.3
154.07748	2.8
155.08524	8.0
157.10107	9.6
159.08041	3.3
159.11676	10.2
161.09697	4.1
161.13277	4.8
163.11165	20.7
163.14832	3.9
169.10159	4.7
171.11639	5.8
173.04506	4.5
173.09616	4.3
173.13278	9.7
181.10155	3.7
181.12250	9.0
183.11685	8.3
184.07349	25.6
185.09613	2.8
185.13246	5.8
187.14825	5.3
189.11200	6.0
191.10614	8.6
197.13213	5.8
209.11697	8.1
209.13440	4.0
211.34087	2.7
227.12802	15.3
243.21074	4.8
261.22171	5.4
275.19977	3.3
283.15314	8.5
323.23672	2.7
335.25784	5.1
351.23099	5.7
353.15790	11.0
369.24173	10.4
387.25217	6.3
409.18851	3.5
451.20724	3.6
461.28671	4.3
525.35248	4.7
527.15588	7.4
528.37463	7.1
543.36670	6.2
629.22528	15.2
651.38727	3.8
669.29291	4.8
669.38727	12.8
687.29724	36.3
687.40735	100.0
688.41034	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	686.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37175	0.6
53.03947	0.8
55.05526	1.5
55.51900	0.6
65.03947	0.8
67.05506	1.5
69.03413	1.6
69.07072	1.5
69.48046	4.6
76.67562	0.6
79.05492	1.6
81.03430	2.9
81.07066	3.1
82.04719	0.6
83.05016	0.7
83.08618	0.8
85.02916	2.3
91.05476	9.6
93.07066	3.5
95.08627	4.3
97.02916	1.0
99.08103	1.5
103.05482	1.1
105.07038	4.8
107.08591	5.0
109.02863	1.9
109.10151	2.6
116.46982	0.6
117.06985	1.1
119.04958	17.1
119.08600	7.0
121.10151	3.4
123.04390	0.6
123.11707	1.4
131.04950	1.2
131.08595	3.4
133.10136	4.6
135.11693	2.0
137.06032	3.7
143.08574	0.8
145.10114	3.4
146.88339	0.6
147.04422	100.0
147.11707	5.5
148.04784	3.4
149.09558	0.7
149.13263	2.0
151.07559	1.2
157.10155	1.1
159.11684	3.7
161.06023	0.7
161.13254	2.1
163.03952	0.8
163.07622	1.2
163.11177	0.9
163.14842	1.6
165.05489	3.1
167.07086	1.7
171.11681	1.0
173.13310	1.7
175.14908	1.7
177.09003	1.4
177.16400	2.1
185.13338	0.8
187.14793	5.2
189.16402	2.6
193.12125	0.6
199.14859	1.0
201.16397	9.6
201.18082	1.0
203.17953	0.8
205.15918	9.0
207.17525	1.4
213.16454	1.4
215.18088	0.9
219.17447	1.2
223.16948	1.5
227.17899	0.9
291.08704	1.9
309.09668	5.0
331.15427	1.8
365.13943	1.1
383.14862	4.6
389.32208	1.0
407.33081	5.0
425.34201	4.9
443.34964	1.3
453.33496	5.5
459.18268	1.5
471.34805	3.4
477.18896	1.7
489.36139	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.2
50.93448	0.2
51.02380	0.5
51.99595	0.2
53.00309	0.2
53.03960	0.3
55.01877	0.6
61.02936	1.0
68.99793	1.6
69.03432	1.8
69.46200	1.5
78.69589	0.2
79.01855	4.4
79.05522	0.2
81.03414	1.7
83.01328	0.3
84.94614	0.2
85.02892	1.2
87.00844	1.2
91.05485	0.5
97.02908	1.5
98.21432	0.4
99.04450	0.3
105.01881	0.2
107.01294	1.1
107.04966	0.7
109.02888	6.2
119.04951	0.7
121.02895	0.3
121.14140	0.2
125.02362	2.7
127.03931	2.2
129.01849	1.7
131.04921	0.5
135.04428	0.5
137.06013	0.4
139.03917	0.6
143.03400	5.5
147.02910	0.8
147.04404	1.1
151.03931	0.2
153.01843	100.0
153.02902	6.1
154.02176	1.0
159.03078	0.2
159.04456	0.8
163.03914	4.5
165.01880	0.4
165.05490	0.8
167.07007	0.3
171.02902	0.3
175.03949	0.9
177.05490	0.5
179.03406	1.2
181.01375	0.2
181.04916	0.4
183.02765	0.4
187.03975	0.5
187.64645	0.2
191.03403	10.1
193.05008	1.1
195.02946	1.9
199.03949	0.2
199.35289	0.2
205.05020	1.0
207.02901	1.6
209.04471	3.6
213.03970	0.8
215.03381	1.4
219.02914	2.4
221.04495	1.3
231.05017	0.3
233.04480	1.9
234.05005	0.2
237.03957	27.6
238.04256	0.5
243.02841	1.3
258.05322	0.3
261.03970	5.5
267.05011	0.8
279.05011	7.5
287.05505	13.2
288.05841	0.3
297.06073	2.0
327.04996	0.2
329.06458	0.3
347.04031	0.6
365.04968	0.9
383.06161	1.5
401.07187	3.3
409.45941	0.2
431.36398	0.2
481.07709	0.3
525.31360	0.3
669.44452	0.3
687.36621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05511	10.1
57.03443	12.1
57.07064	2.9
59.05003	3.0
61.02923	4.3
65.03934	2.2
67.05508	88.7
69.07077	7.2
69.35291	7.9
71.04994	2.7
73.02935	1.6
79.05489	17.6
81.06596	2.0
81.07059	34.4
81.68186	1.0
83.08618	7.9
85.02905	4.1
85.06547	3.5
91.03970	1.5
91.05478	13.7
93.07042	19.8
95.04963	1.3
95.08609	24.2
97.02895	1.8
97.10159	1.7
98.20715	1.7
105.07053	6.7
107.08606	11.8
109.10163	74.8
111.08084	3.7
117.07037	2.3
119.08577	10.8
121.10139	9.6
123.11720	2.8
125.09595	1.7
131.08615	4.5
133.10144	3.6
135.11723	6.1
137.09615	3.3
145.10144	3.4
147.11713	2.5
149.13251	3.0
155.10678	14.5
158.78313	0.9
159.11717	2.9
161.13266	2.3
163.14771	2.4
173.11772	16.8
173.13254	2.8
175.14890	1.1
187.14870	2.4
227.12839	5.3
229.14363	100.0
230.14856	1.3
243.21037	4.0
259.07422	1.0
261.22156	14.3
291.22925	1.0
312.95892	1.2
317.24826	3.2
335.25818	69.1
336.26352	1.0
397.31134	1.9
409.21426	1.2
413.95078	1.2
489.29001	2.1
489.35803	34.6
490.36221	1.5
507.36838	2.2
516.36719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
54.49239	2.3
54.93097	2.3
55.05520	6.8
57.07079	2.9
59.65311	2.0
67.05504	9.3
69.07069	12.0
69.45448	13.1
79.05499	8.2
81.07065	24.1
82.30569	2.2
83.08608	6.7
85.02901	6.9
91.05475	16.8
93.07057	27.2
95.08611	30.0
97.02897	2.7
98.21613	2.6
99.08104	6.1
105.07036	33.6
107.08605	40.4
109.06482	3.3
109.10174	25.4
111.08110	4.9
114.42926	2.2
116.75288	2.3
117.07040	5.3
119.04934	13.1
119.08589	55.7
121.10161	41.1
123.08066	3.9
123.11720	8.9
131.08571	27.4
133.10147	47.4
135.08089	6.8
135.11682	25.9
137.05989	6.7
137.09625	2.7
137.13313	2.9
141.14243	2.1
143.08580	4.1
145.10153	31.6
147.04422	42.2
147.11696	56.3
149.13281	12.7
151.07565	4.1
157.10173	9.1
159.11707	33.3
161.13266	13.3
163.11211	7.5
163.14818	17.3
167.07039	2.6
171.11697	7.6
172.12460	3.2
173.13376	10.8
175.14836	15.8
177.12784	6.1
177.16411	18.1
180.08531	2.3
183.11732	2.3
185.13295	7.1
187.14822	53.0
189.16400	28.9
191.17961	7.2
195.13884	3.6
195.27762	2.4
197.13281	3.3
199.14790	6.9
201.16389	100.0
203.17909	11.4
205.15892	75.0
207.17461	18.3
213.16469	11.8
215.14268	4.9
215.17990	6.1
217.15919	5.5
219.17429	17.7
223.16934	20.5
225.16425	3.0
227.17969	5.8
229.15999	2.7
231.17468	3.1
235.16887	5.4
241.19522	3.3
245.19019	3.2
255.21297	3.1
328.94183	2.2
337.25381	2.7
347.27292	2.4
383.14938	4.8
389.32074	7.3
407.33136	47.6
409.34586	9.7
425.34192	48.3
427.35648	4.9
435.32599	11.1
443.35245	15.1
453.28003	4.2
453.33716	54.5
461.36340	4.5
471.34760	37.7
477.19299	2.8
489.35785	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86532	0.9
53.03941	1.7
55.05515	14.9
57.03435	13.1
57.07065	2.3
59.04994	3.2
61.02911	3.6
65.03943	2.1
67.05506	100.0
68.05833	1.0
69.03438	1.7
69.07065	6.8
69.25558	9.6
69.53490	1.0
71.04990	3.1
73.02913	1.3
77.85757	1.1
79.05077	1.6
79.05495	21.4
79.91148	0.9
81.03391	1.0
81.06599	1.9
81.07058	36.9
83.04996	1.1
83.08629	8.0
84.53266	0.9
85.02862	2.0
85.06535	3.0
91.03935	1.4
91.05476	13.1
93.07045	26.5
95.04939	1.9
95.08611	27.4
97.02882	2.6
97.06516	1.6
97.10155	1.9
98.21594	1.6
105.07035	8.2
107.08583	14.6
109.06516	1.2
109.10159	70.4
111.08070	3.6
117.07005	3.1
119.08591	10.7
121.10155	11.5
123.11697	3.4
125.09605	1.2
131.08568	4.2
133.10130	6.2
135.11693	5.3
137.09599	3.2
137.13268	1.1
138.09250	1.1
145.10150	4.5
147.11670	4.1
149.13287	4.7
155.10672	11.5
159.11664	2.6
161.13246	2.4
163.14777	1.4
173.11798	13.6
173.13284	2.7
175.14763	1.3
187.14729	1.5
189.11028	1.6
227.12830	4.7
229.14354	76.6
230.14723	1.1
233.22595	1.2
243.21082	4.8
248.75111	1.2
261.22119	16.6
291.23306	1.4
317.24719	3.9
335.25812	74.4
336.25876	2.5
489.35770	54.1
490.35818	2.4
507.36795	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	685.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31920	3.7
53.03940	6.4
55.01881	4.5
55.05515	42.5
57.03439	15.2
57.07085	39.9
67.05515	52.5
69.03425	24.7
69.07072	14.1
69.14860	10.6
69.15280	33.5
71.04984	6.7
71.08633	33.5
72.75259	4.2
73.02928	4.0
73.04742	5.6
74.87112	3.8
79.05509	27.2
81.03425	80.7
81.07064	48.7
83.04988	100.0
83.08611	30.5
85.02902	14.7
85.10177	22.3
87.17413	4.2
91.05454	24.1
93.07059	21.3
95.04945	20.3
95.08612	38.1
97.02896	16.1
97.06535	8.7
97.10161	8.3
100.26266	3.7
105.07058	22.0
107.04991	5.7
107.08609	14.0
109.02906	5.3
109.06528	7.7
109.10165	29.8
111.04456	38.4
111.08038	7.6
119.08597	18.3
121.10155	15.2
123.11700	10.2
127.03994	7.9
129.05504	35.0
129.07005	8.5
131.08600	10.1
133.10155	9.3
135.11668	5.6
138.22774	4.3
142.07780	5.7
147.07974	4.6
147.11711	21.8
149.09647	6.1
153.12788	4.5
157.10158	8.8
163.11180	6.5
165.12759	6.7
173.11850	5.1
175.11259	16.5
181.12183	8.5
191.10648	8.6
193.12303	33.0
199.93265	4.3
211.13295	55.2
227.12825	18.4
229.14394	16.2
239.23799	6.5
267.15939	16.7
283.15472	9.6
285.16953	18.3
313.27402	75.7
314.60141	3.8
335.25717	10.6
337.16687	5.5
355.17538	5.7
429.21573	20.2
489.35504	5.9
505.38962	12.1
523.39990	90.3
524.40546	4.9
610.24048	5.8
621.24268	4.7
667.44281	19.4
685.28668	6.2
685.43976	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	684.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.3
54.32782	4.4
55.05500	18.7
67.05486	16.6
69.07059	12.4
71.48994	4.9
71.49342	7.0
73.04762	5.2
79.05479	18.3
81.03411	4.9
81.07055	36.1
83.08614	13.1
85.02908	17.9
91.05483	22.7
93.07049	42.6
95.04968	6.1
95.08604	46.4
97.02899	6.3
97.06528	7.7
97.10167	4.6
105.07037	48.2
107.08590	61.3
109.06502	10.9
109.10176	27.9
109.76505	4.6
111.08032	4.9
117.06992	11.9
119.07823	5.5
119.08588	64.3
120.54787	3.9
121.06499	9.9
121.10159	46.2
123.08059	8.0
123.11700	13.4
125.06000	5.1
125.09666	5.0
129.06985	6.8
131.04109	5.0
131.08562	29.0
133.10120	48.4
135.08028	4.5
135.11700	23.4
137.05984	13.4
137.13260	4.5
141.09059	6.4
143.08578	23.1
145.10136	46.7
147.04378	12.8
147.08018	15.2
147.11713	39.4
149.09616	12.5
149.13243	16.2
150.82732	4.3
151.03804	4.9
153.09174	6.8
155.08572	5.1
156.09320	5.2
157.10124	28.4
157.95424	4.5
159.11714	47.0
161.09604	16.3
161.13234	18.2
163.03902	9.1
163.07617	5.3
163.11147	14.6
163.14851	25.1
167.07042	5.7
167.10620	5.2
169.10124	12.1
171.11688	29.0
173.09612	4.2
173.13223	36.6
174.13718	5.0
175.11197	20.6
175.14854	12.4
175.86913	4.1
177.05441	4.9
177.09113	6.2
177.12764	8.3
177.16380	5.3
179.10641	5.6
182.10825	4.4
183.11679	18.4
184.11736	4.1
185.13246	29.5
187.14816	31.4
188.15082	4.8
189.12735	12.3
189.16444	24.6
191.14284	13.2
193.12265	12.1
197.13229	12.2
199.14857	24.7
201.12679	7.4
201.16367	14.1
203.14255	18.2
203.18015	5.4
205.15897	5.3
209.13362	5.2
209.15303	5.3
211.13242	13.4
211.14969	6.1
213.16451	14.0
215.14227	6.3
215.17859	7.4
217.15854	13.1
217.19402	5.1
221.15356	11.4
223.13304	7.6
225.16393	6.6
225.77180	5.1
227.18056	5.2
229.15916	7.9
229.19661	4.5
235.16916	7.5
243.21043	4.6
249.18536	9.3
253.19675	7.6
255.20956	10.0
257.22577	6.0
261.18512	5.8
299.20105	7.6
301.21536	6.6
315.23315	5.1
349.91476	4.4
365.27832	4.9
387.30316	6.6
393.31299	10.9
405.31729	30.8
421.30942	26.5
423.32510	37.6
429.13345	4.9
433.31201	24.6
439.32062	60.8
441.33450	20.5
451.32071	64.8
457.33478	8.6
459.34628	55.3
468.31436	7.0
469.33258	100.0
486.32938	9.0
487.34302	41.7
504.33780	17.8
505.35428	24.4
624.66547	5.0
684.39923	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	684.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.9
56.36892	3.4
57.02168	3.4
57.03426	3.2
57.07066	5.5
67.05520	14.8
69.03406	5.1
69.07062	12.8
69.76981	7.4
69.77374	7.8
71.57520	3.3
79.05501	17.1
81.03416	4.3
81.07063	25.7
81.66862	2.9
83.08616	9.3
85.02937	14.9
85.06532	4.0
91.05480	25.8
93.07043	36.4
95.04992	2.9
95.08614	40.4
97.02901	6.2
97.06532	3.6
99.08093	38.0
105.07033	75.1
107.08596	68.2
109.10166	35.3
111.08047	4.4
115.05410	3.9
117.07008	13.0
119.04981	3.7
119.08588	100.0
119.74232	3.0
120.08934	4.1
121.06496	3.5
121.09338	5.3
121.10159	62.9
123.08059	6.7
123.11691	16.6
125.09658	3.2
131.08571	56.9
133.06442	5.2
133.10144	70.7
135.07999	6.6
135.11719	37.0
137.05977	6.2
137.09654	6.5
137.13246	3.3
137.58429	3.0
143.08585	13.8
145.10149	66.6
147.04372	15.0
147.11707	63.5
149.09671	5.4
149.13297	17.0
151.11140	6.8
155.08586	6.8
157.10127	21.1
159.11705	46.2
161.13261	29.5
163.11176	12.9
163.14835	19.3
167.07068	3.2
171.11659	26.6
172.12459	4.0
173.13252	41.8
175.14847	20.9
177.12799	8.2
177.16417	21.5
179.14330	4.9
180.08696	6.5
183.11699	10.3
185.13252	37.8
187.14822	86.1
189.12773	3.4
189.16371	25.0
191.18098	4.9
195.13890	5.8
197.13354	8.7
199.14824	31.3
201.16385	89.5
203.14388	7.8
203.17941	8.4
205.15901	69.1
207.17418	10.8
211.14774	11.5
213.16408	13.6
215.14406	4.5
215.17969	8.2
215.98592	3.0
217.15872	12.6
219.17503	26.2
221.15373	4.7
223.16960	48.4
225.16399	4.3
227.17921	7.2
229.15906	4.0
231.17351	7.5
237.18469	7.6
239.17776	4.1
245.19014	5.3
251.16435	11.5
253.19397	6.4
259.20648	3.7
263.16275	5.5
283.20532	11.3
343.50522	3.3
351.26767	9.2
387.30304	4.5
389.32162	4.0
395.32935	3.8
405.31635	39.0
407.33337	26.0
423.32639	57.9
425.34152	35.9
433.31448	4.3
441.33725	75.3
443.35181	11.7
451.32285	26.0
459.34656	30.0
469.33136	23.1
487.34451	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	684.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.8
55.30560	3.7
57.07090	5.0
67.05486	6.2
68.38814	3.7
69.03416	3.6
69.07069	14.8
71.49969	7.2
79.05493	10.5
81.07067	23.9
83.08602	7.3
91.05476	23.9
93.07050	35.9
95.08611	34.9
97.14719	3.8
99.08096	27.5
102.48655	3.5
105.07042	40.9
107.08599	58.3
109.10172	30.1
111.88251	4.6
117.07053	8.2
119.08591	81.4
120.32137	4.3
121.10141	44.1
123.08066	4.1
123.11742	9.3
131.08560	42.7
133.10130	43.1
135.11723	28.0
137.05980	5.1
137.13264	6.1
143.08578	17.3
145.10126	59.3
147.11700	71.3
149.09618	7.7
149.13261	13.6
155.08514	4.6
156.09335	3.9
157.10130	23.1
159.11700	47.9
161.13269	20.3
163.11241	13.7
163.14841	10.3
165.12766	4.1
169.10117	5.2
171.11737	12.7
173.13264	42.8
175.14793	19.2
177.12831	5.4
177.16377	11.8
183.11732	10.1
185.13292	20.2
187.14830	79.0
189.16367	15.7
191.18011	7.3
195.13835	5.6
197.13289	9.5
199.14844	28.8
201.16397	68.9
203.18033	6.5
205.15887	43.7
207.17453	10.2
211.14857	7.6
213.16457	10.4
215.14273	7.2
217.15875	8.2
219.17439	24.7
223.16962	29.4
227.17734	4.5
231.17407	5.6
237.18605	5.1
245.19136	4.4
251.16383	6.7
253.19586	8.0
283.20642	22.4
296.89212	4.2
301.21664	6.7
351.26898	5.9
369.27866	6.7
380.88440	4.4
405.31451	26.5
407.33032	17.2
423.32666	48.4
425.34290	22.6
433.30887	4.3
441.33646	100.0
441.65335	4.8
451.32001	14.3
469.33051	13.9
487.33817	9.0
508.20978	5.5
509.21573	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	684.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
55.01870	2.7
55.05501	3.4
56.05832	0.9
61.02917	2.6
66.59554	0.8
68.99779	1.9
69.03432	9.9
71.04987	1.6
71.50095	1.1
73.02910	2.6
76.01704	0.8
79.05484	3.4
81.03426	19.4
82.06559	1.0
83.01337	0.9
83.08643	1.2
84.08953	0.9
85.02912	23.5
87.00826	9.7
91.03942	1.1
91.05458	2.3
93.07040	1.3
95.04997	1.6
97.02897	12.3
99.04447	4.6
100.11259	10.5
101.11596	5.5
102.11895	0.9
103.05460	2.4
105.01870	7.2
105.07024	1.6
107.04980	8.4
108.04478	2.6
109.02885	12.7
111.04444	1.0
115.05446	5.7
117.01851	1.7
117.07030	12.9
119.08591	1.2
121.06537	1.0
123.04433	2.4
124.05228	2.0
126.05502	0.9
127.02996	1.1
127.03924	19.5
128.06258	1.1
129.01874	1.7
129.07005	2.8
131.04942	1.6
131.08534	2.4
133.06409	1.1
137.05946	1.3
141.06999	1.5
144.05722	3.3
145.04976	7.4
145.06487	30.5
147.02913	1.1
147.08112	1.2
152.04715	1.3
153.05394	0.9
155.06018	5.0
156.05721	5.2
157.06497	1.2
158.30052	0.8
159.02901	5.6
159.08073	3.7
160.05240	0.9
161.06009	2.1
163.03897	1.2
167.07043	46.1
173.05997	57.7
174.06561	0.9
175.07579	1.9
177.05513	1.7
181.04938	1.3
182.15405	1.6
183.06592	1.2
183.15790	1.9
184.05219	2.5
184.16052	1.7
186.06741	0.9
187.07530	5.6
189.03845	1.1
190.06261	32.5
191.07043	2.9
193.08611	1.6
199.12947	0.9
202.06224	4.0
203.07025	6.5
205.08615	100.0
206.09109	0.9
207.06575	2.3
209.08031	1.5
209.16472	1.6
210.14912	1.9
210.16763	2.0
211.15240	2.0
212.15390	1.5
213.03995	1.3
217.08600	39.1
219.08217	1.3
219.10114	4.9
223.09616	1.9
227.19560	0.9
230.06508	1.2
231.05103	2.8
235.09683	26.2
247.07504	1.9
247.09676	6.8
248.08127	2.4
249.11214	1.8
263.10489	1.4
264.07791	1.0
265.10727	33.3
269.08096	2.1
271.09668	2.3
276.07803	1.8
279.10278	1.4
289.81784	0.9
290.09476	1.3
291.10239	2.2
293.08087	1.1
299.09247	1.1
307.09622	1.4
308.10583	1.8
315.08640	6.7
323.12759	2.6
330.10999	13.9
331.11554	4.6
339.12341	1.3
343.11838	1.9
351.12210	4.1
368.12402	1.3
369.13522	1.7
371.14932	4.1
383.14941	15.4
401.15991	18.6
577.37531	1.2
645.89203	1.1
665.50916	3.0
683.52380	18.0
684.52789	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71844	0.4
55.01858	0.9
55.05508	1.5
57.03429	1.7
61.02933	3.5
62.91654	0.5
66.91087	0.4
67.05515	5.0
68.54877	0.4
69.03433	1.9
69.07058	1.6
71.04980	0.7
71.49915	0.7
72.14956	0.4
73.02911	2.9
79.05495	2.6
81.03404	2.9
81.07053	5.1
83.04984	0.8
83.08627	1.6
85.02920	4.4
89.17448	0.5
91.03959	2.4
91.05501	2.4
93.07048	4.2
95.04981	1.7
95.08598	1.1
97.02892	3.1
97.06563	1.0
99.04500	0.9
101.02383	1.0
105.07040	1.4
107.04976	0.7
107.08615	2.4
109.10181	1.2
111.08097	1.1
117.07047	0.6
119.08619	1.9
121.10204	2.3
123.04467	0.5
123.11672	0.9
127.03941	1.5
129.07037	0.8
131.08574	1.1
133.10152	1.2
135.11765	0.6
137.05959	0.7
147.11700	1.5
149.09650	0.9
149.13315	2.0
157.10100	0.7
159.11684	0.9
163.82767	0.4
185.04225	0.7
187.14900	0.5
193.12222	0.7
195.13728	0.5
243.08469	1.5
251.12682	0.8
271.36511	0.5
370.66199	0.5
453.20993	8.0
469.20432	4.5
681.34570	100.0
682.34772	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.2
53.03947	0.4
55.05512	0.3
65.03947	0.4
67.38265	0.2
69.03432	0.3
69.20555	2.0
76.05119	0.2
79.05496	0.4
81.03427	0.4
85.02916	0.3
89.03909	0.2
91.05479	0.6
94.04201	1.7
95.08602	0.3
98.21490	0.4
100.11266	0.2
101.11578	0.2
105.07041	0.4
107.04979	0.5
107.08596	0.3
108.02121	0.3
108.44373	0.3
115.05469	0.9
117.03387	0.4
117.07003	0.9
119.08595	0.5
122.03656	5.4
123.95834	0.2
131.04932	0.4
131.08528	0.2
133.10123	0.3
133.14943	0.2
135.04440	0.7
137.05989	100.0
138.06339	1.0
143.04938	6.4
145.02824	0.7
145.06473	0.3
147.04448	0.3
147.08060	0.3
151.03920	12.7
151.05035	1.1
161.05977	0.2
163.03915	4.3
167.07040	0.3
175.07573	2.1
177.05493	0.4
177.09087	0.3
185.13194	0.3
201.12727	0.3
203.07014	1.6
203.14371	0.3
205.08601	2.3
227.31631	0.3
327.12277	7.9
357.13358	52.8
358.13651	1.0
455.31180	0.3
473.32877	0.3
501.32266	0.3
519.33301	1.3
680.51483	0.4
681.21765	1.4
684.89142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1663
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
55.01897	0.3
57.03441	1.6
63.69448	0.3
68.99794	0.6
69.03432	0.9
70.61832	0.8
70.62181	0.4
71.04613	0.5
71.04999	10.0
81.03432	0.5
85.02913	10.3
95.05042	0.3
97.02873	0.5
102.17182	0.3
107.04918	0.3
109.02876	1.0
111.00792	0.6
121.02872	3.3
127.03923	1.3
129.05504	2.0
137.02354	0.6
137.06004	0.4
147.04358	0.5
147.06599	0.3
153.01839	2.2
159.02882	0.4
163.03867	0.5
165.01845	1.5
167.06874	0.4
183.02896	0.4
213.05464	0.9
231.06563	0.4
241.04973	0.8
258.05304	0.9
259.06131	0.5
287.05518	100.0
288.05887	1.6
299.05652	0.9
311.05426	0.6
329.06525	2.3
353.06580	0.4
397.09158	0.9
415.10104	0.5
433.11142	1.1
449.10809	2.4
535.10883	12.5
536.11517	0.6
649.18408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	0.8
58.06625	0.5
60.08167	6.6
62.91380	0.2
63.23225	0.1
67.05504	0.2
69.70416	1.0
70.06591	0.2
71.07375	3.2
79.05487	0.3
81.03410	0.2
81.07046	0.2
85.02928	0.2
86.09709	31.4
87.10064	0.3
91.05491	0.3
95.04943	0.2
98.98467	3.4
102.09901	0.2
104.10743	2.9
105.07031	0.4
105.18369	0.1
110.23052	0.1
119.08642	0.2
125.00011	21.0
129.90410	0.2
145.70747	0.1
161.19304	0.1
184.07346	100.0
185.07713	0.6
468.23523	0.3
660.34827	0.2
678.36139	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	680.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
54.60192	4.1
55.01876	5.0
55.05511	22.4
57.03422	11.3
57.07071	6.5
67.05511	100.0
68.22539	3.0
69.03437	4.5
69.07076	26.3
71.08646	6.7
71.50322	4.4
71.90273	3.4
74.96729	3.2
79.05506	43.3
81.07062	73.6
83.04961	5.7
83.08625	18.5
91.05495	35.4
93.07056	55.7
95.04941	5.7
95.08613	45.6
97.06552	6.6
97.10150	11.9
97.56695	3.1
105.04501	3.8
105.07035	26.8
107.08598	37.8
109.06494	5.3
109.10171	57.4
117.07028	11.6
119.08586	19.8
120.14497	3.8
121.10139	23.6
123.11691	6.7
125.09641	7.1
129.84430	3.4
131.08559	14.5
133.10130	14.1
135.11670	12.6
137.09639	3.6
143.08522	3.7
145.10124	11.1
147.11700	6.5
149.09608	5.0
149.13289	6.5
155.10704	4.7
159.11649	11.7
163.11272	4.0
163.14992	3.2
166.13652	3.4
171.11627	6.1
173.11726	10.1
173.13245	6.7
184.07344	10.9
187.14796	5.3
227.12820	9.5
229.14352	39.9
257.18802	4.5
261.22083	12.4
269.17526	17.7
275.20081	25.8
335.25848	80.1
349.23489	16.2
367.24765	9.6
489.35812	15.1
529.38928	29.8
609.44672	15.1
627.45612	5.6
666.51904	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	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
55.05510	15.6
57.03430	6.6
57.07076	5.3
61.02927	25.2
65.03941	3.0
67.05511	91.4
69.03419	5.0
69.07069	18.8
69.55858	18.6
69.83466	2.8
73.02912	7.8
75.04433	2.8
79.05492	49.2
81.03461	3.5
81.07062	91.0
83.05003	3.2
83.08622	7.7
85.02899	22.1
85.06543	5.5
91.03964	25.2
91.05486	24.5
93.07050	67.8
95.04989	3.9
95.08609	73.0
95.09190	5.3
97.02895	10.0
97.06573	5.4
97.10180	3.7
105.07037	14.8
107.08597	45.8
109.08626	2.9
109.10165	38.4
113.09620	3.2
117.07018	11.3
119.08569	20.9
121.10146	39.8
123.08100	3.5
123.11725	19.3
124.90420	2.9
127.03938	5.9
128.82834	2.6
131.08577	23.7
133.10118	18.2
135.11693	40.5
137.09669	3.7
137.13255	8.4
145.04984	9.0
145.10129	13.8
147.11676	14.6
149.13277	24.4
159.11678	13.9
161.13261	16.4
163.06046	10.5
163.14833	17.5
165.12779	3.0
173.13243	13.5
175.14857	6.8
177.16348	9.0
187.14886	7.5
201.16341	3.3
243.21091	38.8
261.22147	100.0
279.23340	4.3
335.25833	37.2
353.26868	35.8
497.31277	6.3
575.11731	2.9
677.34521	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	677.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52279	1.0
67.14977	0.8
71.49950	1.1
108.57702	0.9
163.14912	0.9
174.50850	0.9
184.07367	1.0
214.84084	0.8
219.93097	0.9
244.48311	1.2
373.15323	1.0
403.19492	1.8
415.19031	1.4
417.20987	1.5
418.21603	1.8
431.22849	2.2
433.24200	1.0
443.18671	1.5
444.19394	2.1
445.20352	3.3
446.21124	2.6
458.21164	3.0
459.21762	15.7
460.22720	3.7
471.21533	1.1
472.22830	1.0
473.23251	1.3
474.23413	1.7
487.24899	1.8
501.26544	4.0
519.24188	2.1
531.23914	1.8
531.31329	2.4
545.25720	4.0
546.26569	1.7
547.27130	8.1
561.28632	1.9
589.31586	4.4
591.25647	2.3
605.27069	1.5
606.28345	3.2
617.35046	9.2
677.36975	100.0
678.37445	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.4
55.05513	15.2
57.03436	8.9
57.07061	4.0
61.02652	2.6
61.02933	27.4
67.05509	82.9
69.03414	5.2
69.07068	14.8
69.20831	20.5
73.02929	12.8
79.05495	52.8
81.03419	4.6
81.06596	4.5
81.07065	76.7
83.05016	2.4
83.08627	7.4
85.02915	30.7
85.06562	3.5
91.02946	2.1
91.03968	25.9
91.05492	30.6
91.40652	2.2
93.07050	68.2
95.04969	5.9
95.08616	69.7
96.76859	2.1
97.02903	14.0
97.06517	3.6
97.10169	4.3
99.04440	2.7
103.75681	2.3
105.07043	26.7
107.08606	44.5
109.10168	43.9
111.08064	4.7
117.07037	10.8
119.08587	25.0
121.10154	38.0
123.08151	3.0
123.11713	20.0
127.03954	11.1
131.08572	19.9
133.10139	18.1
135.11702	33.9
137.09605	4.1
137.13268	7.0
143.08656	2.2
145.04993	13.5
145.10129	19.6
147.11691	15.1
149.09544	3.4
149.13293	28.2
151.11241	3.0
151.14857	4.2
152.30095	2.1
153.59828	2.5
159.11703	19.3
160.98756	2.5
161.13286	12.8
163.06042	17.3
163.14828	18.1
165.12769	2.3
173.13297	19.1
175.14784	4.2
177.16382	7.8
184.07394	4.5
187.14847	9.7
189.05618	2.5
201.16458	4.1
205.15855	3.3
208.59579	2.2
215.18153	3.6
243.21098	33.3
261.22174	100.0
279.23257	3.2
292.10397	2.4
335.25833	22.2
353.26938	32.8
497.31342	2.8
677.35004	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	676.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01867	3.9
55.05516	18.4
57.03443	17.7
57.07069	2.5
57.78387	1.6
61.02921	4.3
65.03945	2.3
67.05511	51.0
69.03429	5.7
69.07080	14.0
69.41610	15.5
71.04999	5.3
73.02914	3.2
79.05499	39.6
81.03425	51.6
81.07062	61.5
83.04994	16.0
83.08627	27.0
85.02911	22.5
85.06556	3.6
91.03972	3.1
91.05492	31.1
93.07053	42.7
95.04987	18.6
95.08608	19.2
97.02892	4.6
97.06536	9.7
97.10183	4.0
99.08086	4.1
105.07052	19.2
107.04971	5.6
107.08596	23.7
109.06532	5.9
109.10178	2.5
111.08076	9.3
117.07050	5.2
119.08581	19.5
121.10151	17.6
123.11718	1.9
125.09663	2.3
129.07005	14.4
131.08574	14.2
133.06458	2.0
133.10147	14.7
135.08084	2.2
135.11719	4.3
137.43478	2.3
138.88506	1.8
142.07774	2.6
147.08089	2.2
147.11723	12.3
149.09648	4.1
149.13298	18.0
157.10158	12.7
159.11659	8.7
163.31386	2.0
165.12749	3.8
175.11212	9.3
177.12767	5.5
193.12253	39.6
194.12726	2.0
195.13843	7.5
207.51865	2.0
211.13307	47.5
267.15942	35.5
269.17508	66.1
285.16980	39.1
329.61591	1.8
461.29022	72.5
462.29559	1.9
479.30093	100.0
480.29889	3.0
496.16806	3.0
498.18433	4.1
556.19019	4.4
574.24170	2.6
676.26990	42.6
677.26849	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	675.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53681	0.8
53.03937	2.8
55.01876	7.2
55.05514	18.4
57.03442	5.2
57.07075	7.5
67.05181	1.0
67.05507	11.7
69.03417	1.8
69.07070	17.6
69.46281	6.0
71.04987	1.2
71.08618	3.9
73.02906	3.0
73.04681	0.8
75.04499	1.0
79.05499	10.3
81.03423	32.8
81.07060	11.0
83.04955	2.5
83.08167	1.4
83.08623	21.9
85.02892	0.9
85.10172	1.8
86.09706	1.3
91.05489	12.6
93.07037	7.2
95.04966	10.4
95.08589	6.1
97.02870	1.7
97.06503	2.2
97.10184	9.2
98.98472	39.1
105.07029	6.2
107.04960	1.9
107.08571	2.5
109.06526	1.9
109.10151	1.7
111.08054	2.4
111.11723	2.0
117.07006	1.4
119.08571	6.9
121.06477	1.3
121.10145	5.7
123.08082	1.0
129.07016	3.4
131.08545	2.9
133.10115	2.4
135.11668	2.2
142.07748	1.1
145.10011	0.8
147.07973	1.1
147.11691	3.4
149.09615	2.4
155.01015	6.6
157.10106	4.5
165.12744	0.9
173.02121	6.0
175.11198	5.9
183.00397	1.3
183.18764	0.8
184.07320	3.3
192.04451	0.7
193.12262	14.9
211.13284	1.4
237.22139	4.2
249.14838	3.2
267.15930	31.9
270.97424	0.8
311.25827	21.8
342.59619	0.9
347.12625	1.9
403.15158	2.0
475.37714	1.7
485.36288	1.7
503.37326	100.0
504.37640	2.8
521.37994	1.4
675.43243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93712	0.3
67.05505	0.6
69.46035	0.9
69.46452	1.7
72.29893	0.3
77.23951	0.3
79.05492	0.5
81.03419	0.5
81.07061	0.7
93.07034	0.4
98.69417	0.4
119.08530	0.5
133.10156	0.6
161.83447	0.4
344.31143	0.4
390.31207	0.3
408.38434	0.4
413.16122	0.4
429.15393	0.4
439.13800	0.5
444.18091	0.6
445.18750	0.4
453.15967	0.8
454.16888	0.4
455.17725	0.4
457.19858	0.5
467.12662	0.6
468.13770	1.7
469.14908	6.5
470.15732	1.7
471.16779	1.1
472.17990	0.7
479.30286	0.5
481.14682	2.2
482.15982	8.9
483.16693	8.7
484.17468	1.7
485.18161	1.5
495.16586	3.7
496.17520	6.1
497.18250	34.0
498.18811	4.1
499.19803	0.9
510.19257	1.6
511.19812	4.5
512.20532	1.2
513.17419	0.5
515.19287	1.0
528.16351	1.6
529.17236	0.6
538.20532	0.5
541.17322	1.3
542.17957	2.1
543.18597	0.4
555.18683	4.6
556.19232	2.4
557.20673	2.4
569.20679	0.7
571.21796	0.6
573.21399	0.6
616.21667	0.9
617.22418	1.2
643.24066	5.7
644.24695	6.2
645.23578	1.6
657.25336	5.6
658.25958	0.4
660.24286	1.3
675.26636	100.0
676.26959	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	674.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66987	2.1
55.01865	5.6
55.05511	15.4
56.75810	2.0
57.03439	17.8
57.07082	5.7
58.06608	2.7
59.05004	2.8
61.02920	7.3
65.03938	3.3
67.05506	39.2
69.03430	3.3
69.07069	7.8
70.06590	8.8
71.04995	6.7
71.50208	3.7
79.05496	30.1
81.03426	74.3
81.07063	40.1
83.01350	4.0
83.04988	15.8
83.08618	28.5
83.18449	2.2
85.02903	13.9
85.06545	2.5
88.07639	8.3
91.05482	31.4
93.06480	3.4
93.07044	32.7
95.04964	23.3
95.08608	13.8
97.02895	8.1
97.06538	7.7
97.10165	5.0
99.04454	3.3
102.09164	6.0
105.07034	21.5
107.04959	9.1
107.08592	18.4
109.06532	7.5
109.10168	5.6
111.04435	5.2
111.08081	10.1
115.05482	2.5
117.07008	6.5
119.08591	17.5
121.06509	6.6
121.10143	16.1
123.08115	5.4
125.09628	4.0
129.07010	12.0
131.08554	11.8
133.06490	4.4
133.10133	12.0
135.08026	3.4
135.11671	5.6
137.09546	2.4
142.07852	2.5
145.06448	3.4
145.10114	10.6
147.08075	3.3
147.11714	9.7
149.02335	14.1
149.09622	5.9
149.13232	4.9
157.10123	9.5
159.11775	3.0
163.11201	11.2
173.09744	2.4
175.11272	10.5
193.04976	9.2
193.12265	26.6
195.13837	5.9
197.13231	2.2
209.11685	2.9
211.13272	17.5
228.23245	16.8
237.07550	3.4
267.15933	84.1
269.17484	22.3
272.25851	3.3
283.15399	34.3
285.16980	14.6
349.21387	3.1
367.22650	8.7
385.09140	4.1
385.23755	7.5
433.25748	7.8
441.26208	4.4
459.27490	43.3
473.14319	3.1
477.28522	100.0
674.35272	38.4
675.26501	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	674.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.7
55.05519	13.1
57.03445	12.4
57.07058	2.5
58.47344	1.6
61.02920	5.6
64.36135	2.1
67.05181	2.8
67.05513	31.1
69.03422	4.7
69.07073	8.8
70.06581	6.2
70.22988	4.4
70.23385	3.2
71.04976	5.4
79.05502	29.1
81.02939	3.8
81.03424	68.2
81.07063	39.0
83.01347	2.9
83.04979	9.9
83.08625	27.2
85.02917	12.3
85.06543	2.4
87.26913	1.7
88.07629	5.3
91.05491	22.6
93.07063	27.9
95.04976	25.7
95.08623	13.7
97.02885	7.1
97.06530	6.7
97.10215	2.1
99.08070	2.6
105.07030	20.1
107.04980	9.9
107.08618	13.6
109.02868	1.8
109.06522	5.0
109.10136	1.8
111.04451	1.9
111.08075	7.9
117.07013	6.2
119.08623	14.5
121.06512	3.3
121.10152	9.4
123.08058	5.7
125.09637	3.5
128.06392	1.6
129.07025	9.4
131.08568	11.5
133.06505	3.1
133.10153	12.0
135.11710	9.1
141.77274	1.7
145.06514	3.1
145.10103	6.7
147.08067	3.5
147.11678	8.9
149.02393	10.2
149.09645	4.6
149.13248	5.5
151.11140	1.9
157.10124	9.0
159.11717	2.6
163.11206	10.5
175.11192	9.6
177.12761	2.7
189.11044	1.8
193.04985	8.0
193.12263	25.7
195.13802	4.1
211.13286	12.3
227.12683	2.0
228.23285	12.0
237.07388	2.0
249.44151	1.8
266.06580	1.9
267.15936	82.6
269.17545	21.7
272.25861	3.6
283.15399	40.6
285.16980	17.1
341.06580	2.7
349.21643	4.2
362.01669	2.2
367.22617	6.6
385.09116	2.3
385.23502	6.2
403.10315	2.8
429.11578	3.0
433.25943	8.3
441.26627	3.8
446.87772	1.8
459.21304	3.5
459.27423	41.4
473.14255	3.0
477.28516	100.0
478.28757	3.0
497.18414	2.8
674.35101	30.3
675.26868	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	673.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.9
55.01878	8.6
55.05269	3.8
55.05515	30.4
57.03445	7.8
65.03951	7.6
67.05509	95.4
69.03437	51.6
69.07074	30.4
71.04988	9.9
71.50437	4.9
73.11580	3.2
79.05500	68.2
81.03426	34.3
81.06597	6.2
81.07062	100.0
83.04972	14.5
83.08644	19.2
85.02933	4.9
85.06537	4.3
87.04469	3.7
89.06036	32.0
91.05476	67.5
93.07052	84.3
95.04980	13.3
95.08607	49.3
96.73070	3.1
97.02898	4.5
97.06529	12.9
97.10166	8.6
98.26641	3.2
105.04445	4.4
105.07034	53.5
107.04983	5.4
107.08613	42.5
109.02872	8.6
109.06496	7.1
109.10169	19.1
111.04470	9.9
111.08091	9.9
115.05460	4.9
117.07003	22.1
119.08585	30.2
121.06499	10.2
121.10154	30.2
123.08107	7.8
123.11712	9.9
127.03955	3.7
129.07019	11.9
131.08589	34.6
133.06517	8.7
133.08615	17.5
133.10118	23.4
135.08046	7.8
135.11722	16.0
141.07043	4.4
143.08574	13.8
145.06569	3.4
145.10126	23.0
147.08110	6.5
147.11679	19.6
149.09621	4.2
149.13335	17.0
151.11240	3.7
155.08504	8.0
157.10143	9.9
159.08055	6.1
159.11678	19.6
161.09682	7.0
161.13275	6.6
163.11176	5.4
165.09117	4.6
169.10223	4.9
171.11725	8.9
173.09619	5.4
173.13322	8.9
175.11208	7.0
177.11189	8.0
177.12730	7.8
183.11665	7.1
183.15149	3.4
185.13251	6.2
187.14784	4.7
189.12663	4.4
193.12262	3.7
195.12100	5.0
195.13785	20.2
201.16452	3.4
223.14883	4.0
237.16832	4.6
259.20599	4.9
269.17545	18.7
273.22034	3.8
289.21628	4.6
301.21576	5.9
327.23242	5.7
341.24582	5.7
346.14236	3.6
369.24246	12.5
387.25247	9.8
438.67792	3.3
443.27820	7.0
460.27863	5.0
461.28928	8.5
547.40125	5.5
637.40942	4.6
655.41803	13.1
673.43134	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3919
Annotation	Kirkinine
Peak:m/z	Relative Intensity
55.05513	0.6
66.30775	0.4
67.05509	0.5
69.46539	3.5
71.04980	0.4
81.03414	0.7
81.07069	0.8
83.04965	0.6
85.02917	0.9
91.05485	0.9
93.07051	1.0
97.02915	0.5
97.75827	0.4
105.07030	0.8
107.08575	1.0
109.02856	0.6
119.08603	0.7
137.05983	1.4
147.04425	0.8
147.11766	0.5
185.04204	5.0
222.94740	0.5
227.42882	0.5
238.42897	0.4
245.04387	0.5
356.47589	0.5
467.35443	0.6
511.34006	11.1
590.17407	0.5
673.39240	100.0
674.39697	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.5
53.27767	2.4
55.01869	7.1
55.05514	25.9
57.03426	9.6
57.07072	5.1
65.03925	4.8
67.05509	80.2
68.05776	2.2
69.03432	36.7
69.07070	22.4
69.45866	4.2
69.46288	14.0
71.04971	7.7
77.03944	3.1
79.05500	56.8
81.03432	25.3
81.07059	100.0
83.05001	11.8
83.08618	15.9
85.02905	7.7
85.06532	3.3
89.06021	6.4
91.05480	53.9
93.07047	67.5
95.04990	17.7
95.08615	36.5
97.02911	5.7
97.06538	8.5
97.10201	4.5
99.04395	2.7
99.08076	4.9
103.03896	2.7
103.05451	3.1
105.04513	4.4
105.07043	36.0
107.04951	6.5
107.08595	38.6
107.24280	2.4
109.02889	7.3
109.06532	7.6
109.10180	17.9
111.04442	7.0
111.08088	6.6
115.05450	2.6
117.07021	25.9
119.08598	31.9
121.06513	7.5
121.10151	22.8
123.08086	7.4
123.11716	7.7
127.03894	6.1
129.07018	13.6
131.08582	31.0
133.06523	6.0
133.10153	23.2
135.08063	7.5
135.11674	15.5
137.09602	5.0
141.07022	2.8
143.08585	13.2
144.19359	2.6
145.06529	5.0
145.10110	18.2
147.08075	5.2
147.11708	15.6
149.09631	4.4
149.13266	16.5
151.11147	2.4
153.09140	2.7
155.08521	4.7
157.10146	11.7
159.08022	3.8
159.11729	15.3
160.15636	2.3
161.09677	3.9
161.13284	7.7
163.11185	4.3
163.14970	2.4
163.27425	2.4
165.12807	4.0
169.10138	6.5
171.11713	7.3
173.09602	4.3
173.13332	7.5
175.11253	3.4
175.14761	3.8
177.12784	6.6
183.11751	5.0
185.09645	5.5
185.13258	6.1
187.14874	5.6
193.12053	2.7
195.11880	3.0
195.13831	9.2
197.13245	4.4
199.14819	5.2
209.13329	3.2
211.14873	3.2
213.12950	2.5
213.16679	3.1
215.14325	2.2
217.57567	2.5
231.13779	2.5
251.16307	3.3
259.20560	5.0
269.17459	16.8
301.21753	8.4
314.41794	2.9
319.22748	4.7
335.25858	3.4
339.17786	2.8
341.24939	2.6
351.22992	5.7
357.24240	2.4
369.24207	11.5
387.25269	6.5
405.26300	2.8
443.28165	3.0
461.28964	5.6
547.40076	3.9
637.40265	3.6
655.41650	9.9
673.31665	3.3
673.43042	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01874	2.0
55.05523	11.0
57.03437	5.9
57.07082	37.7
61.02945	14.1
67.05519	20.8
69.03449	3.1
69.07056	8.2
69.27827	1.3
71.08640	32.2
72.12924	1.3
73.02918	4.5
75.04485	2.1
79.05503	12.0
80.05834	2.0
81.03429	9.8
81.07068	27.5
82.07407	2.2
83.08634	15.3
85.02913	15.1
85.10190	20.6
86.08920	1.4
91.03963	15.4
91.05498	11.1
93.07066	8.1
94.07372	2.5
95.04980	8.9
95.08620	28.6
97.02886	10.1
97.06544	1.6
97.10178	7.1
99.04439	1.6
99.11739	2.0
105.07037	6.1
106.07383	2.0
107.04947	2.9
107.08584	5.5
109.06565	2.0
109.10174	13.5
111.04462	2.1
111.11705	1.8
117.07008	2.8
119.08582	6.0
120.08896	2.5
121.10168	2.3
123.11711	4.9
124.01479	1.4
125.09616	1.6
127.03919	6.1
128.06255	2.0
129.07030	2.2
131.08594	2.7
133.06496	1.9
133.10110	4.3
135.11717	2.9
137.13266	2.1
143.08517	1.7
144.08850	1.5
145.04974	6.7
145.06476	2.5
145.10081	3.2
147.04376	1.4
147.07971	1.7
147.11710	2.7
149.05930	1.6
155.08485	1.4
159.11588	1.6
163.06012	14.3
163.11174	2.5
171.11774	1.7
174.06750	1.7
184.07324	2.3
186.53760	1.4
239.23712	28.8
257.24734	3.7
273.14856	2.3
301.14307	2.4
308.13583	1.5
313.27396	100.0
331.28445	37.8
335.25900	1.9
336.26245	2.8
539.37531	1.6
614.42389	1.8
636.39630	5.0
654.40619	3.0
672.30597	7.8
672.41779	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	672.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14267	1.7
53.03944	3.2
55.01903	2.7
55.05521	15.4
57.03430	5.4
57.07080	40.8
61.02927	11.4
67.05174	2.8
67.05508	27.4
67.41301	1.6
68.05824	2.6
69.03419	6.0
69.07074	11.5
69.73931	11.3
71.08635	28.0
71.09021	3.0
73.02902	4.5
75.04482	1.6
75.37804	1.6
79.05489	20.6
80.05814	2.7
81.03426	21.0
81.07058	29.4
82.03745	2.7
83.04972	3.6
83.08623	16.6
85.02911	18.3
85.06548	2.6
85.10186	13.3
91.03967	12.0
91.05476	17.4
92.05812	5.0
93.07051	14.5
94.07372	2.6
95.04972	14.6
95.08612	30.6
96.05268	2.8
97.02911	9.4
97.06507	2.0
97.10181	9.1
99.04511	2.2
105.07052	13.6
107.04975	4.2
107.08597	5.2
109.01036	1.6
109.02873	2.2
109.10170	14.3
111.04443	3.0
117.06998	6.4
119.08583	7.2
120.08897	2.7
121.02869	2.0
121.10166	3.1
123.11707	5.9
127.03907	5.2
129.07025	4.9
131.04971	2.0
131.08582	6.0
132.08910	1.8
133.10143	5.9
134.10391	2.3
143.08513	6.2
145.04944	7.8
145.10124	4.5
147.11685	4.3
149.09558	2.0
155.08536	2.3
157.10077	3.7
159.11572	2.3
163.06007	13.1
166.05745	1.6
167.08464	2.1
171.11684	2.6
185.13281	1.9
193.12238	4.3
202.23463	1.8
239.23674	24.4
257.24927	4.4
267.16226	2.8
273.14841	5.1
274.15228	3.5
301.14520	3.5
313.27368	100.0
320.15680	3.0
331.24561	3.5
331.28442	37.0
335.25797	4.5
336.26047	4.4
370.24524	1.9
385.83203	1.9
404.53860	2.2
422.11215	1.7
474.60464	1.9
636.39502	7.1
640.27441	2.9
654.41034	10.6
672.30487	13.0
672.41730	19.1
690.40192	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71426	1.1
51.56115	1.2
53.03931	3.2
55.01867	1.1
55.05518	8.9
57.03432	3.5
57.07099	1.5
59.04993	3.0
66.57381	1.2
67.05509	30.4
69.07076	8.6
71.04991	2.8
71.50736	1.6
79.05496	32.4
79.43925	1.3
81.03416	3.7
81.07063	34.8
83.04987	6.2
83.08632	6.8
85.02866	1.5
85.06543	2.7
86.09704	2.0
91.05487	20.3
93.07050	37.7
95.04973	8.0
95.08607	15.7
97.02862	1.4
97.06525	3.3
97.10200	1.5
97.32184	1.3
99.08122	2.7
105.07050	15.0
107.04954	1.8
107.08611	15.6
109.06496	2.9
109.10155	2.0
111.08085	1.7
117.07024	5.7
119.08607	10.1
121.06457	1.6
121.10106	7.1
123.08054	1.5
123.11738	1.3
129.07053	6.2
129.40417	1.2
131.08571	3.0
133.10118	5.5
135.11658	2.7
143.08546	3.8
145.10175	2.9
147.07997	1.6
147.11687	16.6
149.13239	9.6
159.11703	4.2
161.09621	2.0
161.13254	3.0
171.11671	9.0
177.12819	2.1
184.07385	1.3
189.12788	3.3
195.13797	3.0
207.13853	9.3
220.92998	1.3
268.45786	1.4
269.17505	24.5
281.17511	23.0
475.30588	100.0
476.30908	3.0
672.26233	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	671.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06192	5.2
53.03942	10.4
55.01859	8.0
55.05511	41.3
57.03429	12.7
59.05042	4.0
61.02913	5.3
63.93273	4.0
67.05509	48.4
69.03418	14.6
69.07064	16.2
69.22158	38.5
71.04975	13.9
79.05499	47.3
81.03425	81.8
81.07072	54.4
83.04984	24.7
83.08611	25.1
85.02903	17.1
85.06532	4.8
87.94564	4.0
91.05496	43.1
93.07052	46.8
95.04973	39.1
95.08624	33.4
97.02894	15.7
97.06519	11.8
97.10166	30.3
99.04487	5.0
103.05430	5.0
105.07040	45.6
107.04971	24.2
107.08611	26.8
107.69601	3.7
109.02901	7.6
109.06518	15.0
109.10155	16.3
111.04433	10.2
111.08074	13.7
117.07006	12.4
119.04925	6.2
119.08575	25.1
121.06510	20.4
121.10168	24.9
123.04428	11.9
123.08024	9.7
123.11702	7.7
125.05975	4.7
125.09657	27.9
127.03949	6.7
129.07011	13.9
131.04951	9.3
131.08626	19.6
133.06491	11.3
133.10159	23.1
135.08061	15.0
135.11702	7.3
137.05968	12.5
137.09569	5.7
143.08513	7.4
145.06494	14.3
145.10162	12.8
147.04425	10.9
147.08061	11.6
147.11674	17.1
149.09625	12.2
153.09090	5.5
155.08615	6.4
157.06477	8.0
157.10120	15.3
159.08009	5.0
159.11700	5.9
161.09662	5.1
161.13193	7.6
163.03940	5.7
163.11256	9.7
167.07045	4.4
169.10210	5.9
171.08102	4.8
171.11658	4.8
173.04422	6.1
173.09705	5.3
173.13258	3.9
175.11214	14.5
185.13326	5.3
187.14882	7.7
189.11349	6.2
193.12259	30.1
197.13353	5.3
205.15857	6.4
211.13277	14.7
219.13855	10.0
227.12769	13.2
233.15445	15.7
249.14995	6.5
267.15967	27.1
273.14709	6.6
285.17114	4.6
287.16385	5.1
339.08798	4.1
339.23294	5.4
349.21445	7.5
357.24210	6.5
367.22702	34.8
385.23740	43.7
403.24911	20.7
417.26306	5.3
423.06720	4.0
426.82083	4.3
441.26276	13.8
459.21466	5.0
459.27499	100.0
460.27487	4.4
477.28595	92.7
478.29230	6.5
491.30396	23.7
509.31110	16.2
552.57751	4.4
621.32758	7.6
671.37225	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	671.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78871	0.5
52.14646	0.6
53.03933	0.7
55.05507	1.4
61.10927	0.6
61.29799	0.7
63.80618	0.7
65.03937	0.6
67.05513	3.5
69.07060	0.8
71.50266	0.8
79.05492	2.3
81.03419	2.3
81.07067	3.0
83.04990	0.8
91.05489	2.3
93.07049	2.2
95.04969	1.1
95.08612	2.2
97.10125	0.7
105.07049	1.8
107.08617	1.1
109.10143	0.7
117.07057	1.0
119.08601	1.3
121.10171	1.0
131.08626	0.9
135.94806	0.6
147.42824	0.7
149.13368	0.6
157.10263	0.7
193.12323	1.3
211.13467	1.0
237.14035	1.0
240.72142	0.6
308.29770	0.7
367.19250	1.1
377.18369	0.8
391.19333	0.8
395.18753	1.0
405.16437	0.8
409.20224	1.4
410.21222	1.5
411.21851	0.7
421.20847	0.7
433.20300	1.0
436.23007	1.0
438.20660	3.2
439.21133	0.9
445.20547	0.9
447.21930	1.3
448.18631	0.8
451.21399	1.3
453.22861	7.4
454.23730	1.3
459.21777	1.4
460.22668	0.8
461.19473	0.9
465.22937	1.5
467.24716	1.4
469.26263	2.1
474.24500	1.1
476.22156	1.9
477.22833	2.1
479.20981	1.6
483.23950	1.4
497.25339	3.6
501.22894	1.5
502.23190	0.8
503.20865	2.3
507.24118	1.5
512.27869	2.7
521.22052	0.9
523.19794	1.5
525.25201	2.9
533.25488	1.9
535.26062	0.8
537.24365	0.7
538.25885	2.7
540.27441	8.1
545.25360	1.6
545.38574	5.5
551.26733	2.4
561.24786	1.9
563.26758	2.0
564.23889	1.1
579.26270	1.7
589.24207	2.2
590.20728	0.8
593.28168	1.6
607.25507	1.7
611.28693	2.9
639.28204	11.4
671.30786	100.0
672.30627	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	671.308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05509	2.5
56.41854	0.6
57.03442	1.2
62.13770	0.7
65.03928	0.8
67.05511	7.0
69.07070	1.2
69.27571	6.2
74.70161	0.9
79.05503	6.7
81.03426	3.6
81.07076	6.4
83.04974	0.8
83.08611	1.2
85.02914	1.3
91.05477	5.4
93.07050	6.6
95.04976	4.0
95.08617	4.2
97.10205	0.9
105.07042	4.0
107.04961	1.4
107.08614	2.3
109.10175	1.8
117.07053	1.4
119.08598	3.1
121.06524	1.1
121.10179	2.1
123.08048	0.9
129.07024	1.0
131.05011	0.8
131.08614	2.1
133.10115	1.8
135.11707	1.1
145.06511	1.3
145.10152	1.5
147.08150	0.8
147.11702	1.3
155.01120	1.1
159.11717	1.2
161.06073	1.1
175.11240	0.8
193.12273	2.6
211.13339	1.7
221.10780	0.8
223.12613	0.7
237.10339	1.1
237.13922	1.0
243.11313	2.3
251.11865	0.7
263.11932	1.1
273.14847	1.9
301.14511	1.4
303.15903	0.7
333.14767	1.2
335.25897	1.0
353.17908	1.1
365.18326	0.8
367.19281	2.2
375.17780	1.1
378.10910	0.8
378.19257	0.8
381.17108	1.3
381.21274	1.0
389.18060	1.0
392.20633	0.8
395.18744	1.8
401.18005	0.8
405.17258	1.0
407.18356	0.8
410.21353	1.6
422.21155	1.5
423.22339	1.2
425.23453	1.5
433.20480	1.2
435.22159	1.1
436.18707	0.9
437.19318	1.7
437.24429	0.8
438.20560	2.1
439.21423	0.9
445.20328	1.4
446.21390	1.8
447.17923	1.2
449.19577	1.3
450.20792	1.2
451.21381	1.8
453.22986	7.0
454.23453	1.1
459.21823	1.6
460.22787	1.5
462.20337	1.2
463.21304	1.7
465.23184	1.6
468.17877	1.4
469.26276	3.2
473.23563	1.5
474.24326	2.8
475.21744	3.1
476.22787	0.9
477.23749	1.2
479.20990	2.6
483.23853	1.4
491.20557	1.4
493.22455	1.0
495.23953	0.9
497.25467	4.5
501.22855	1.4
502.23914	1.6
503.20779	1.3
505.19614	0.8
507.24054	2.3
508.25208	1.1
509.21774	1.1
512.27734	3.4
519.20636	0.9
521.23370	0.9
522.22357	4.2
523.23724	2.2
524.24420	3.5
525.24994	4.4
529.22333	0.9
530.23523	1.0
533.24628	2.7
536.24512	1.7
538.25555	2.4
539.26605	1.3
540.27313	9.2
541.25745	0.7
545.25922	3.7
545.38428	9.4
551.22461	5.8
552.23816	1.3
561.24878	2.8
563.26465	1.4
564.23083	0.9
567.26276	1.3
579.25385	1.0
589.24353	6.1
595.26105	1.0
611.25018	15.3
612.25842	1.2
621.27289	1.8
627.28198	6.9
628.28632	1.0
635.39288	1.7
639.25323	14.3
640.25470	1.0
653.29553	1.9
671.30780	100.0
672.31042	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	671.161
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.6
68.49125	0.4
68.99781	0.6
69.03437	0.7
69.28214	0.8
69.28614	3.0
77.03934	0.6
79.05482	0.7
81.03402	1.2
83.44752	0.4
85.02908	0.5
85.50299	0.4
89.03929	0.8
89.94199	0.4
91.05489	22.9
93.07071	0.7
95.04982	1.1
95.08559	0.6
97.02869	1.0
98.20810	0.8
101.62246	0.4
103.05458	0.6
105.07052	0.7
107.04922	0.4
109.02888	0.8
111.00778	0.8
119.04951	34.3
121.02853	1.3
127.03963	0.6
131.04921	0.6
132.02057	2.0
133.02879	0.8
134.20940	0.5
135.04411	0.8
136.05237	0.7
137.02357	3.2
137.05965	1.9
143.46394	0.5
145.02872	1.2
147.04420	30.2
148.04723	0.6
149.02405	1.1
153.01837	2.6
157.03998	3.5
161.05980	0.5
163.03917	1.1
164.04657	1.5
165.01831	1.8
167.07100	0.6
173.57188	0.4
175.03918	49.6
177.05469	0.6
179.07066	2.2
183.02861	0.8
189.05415	0.4
192.04178	0.6
201.05478	1.3
207.06543	100.0
207.61134	0.5
229.04941	3.8
257.04428	1.9
274.04675	0.6
285.04077	1.2
291.08719	0.6
303.05011	67.4
351.10916	1.9
369.11844	8.4
453.60052	0.5
619.82251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53150	0.4
55.05491	0.4
57.68160	0.4
67.05513	1.1
79.05493	0.8
81.03432	0.5
81.07060	1.0
91.05484	0.9
93.07067	0.6
95.08620	0.5
102.58253	0.4
105.07057	1.0
106.09692	0.4
107.04794	0.4
107.08619	0.5
109.10194	0.5
117.06982	0.4
118.90471	0.4
121.10170	0.7
131.08580	0.7
147.11726	0.6
150.41307	0.4
187.14781	0.4
253.87778	0.4
377.17807	1.2
389.17447	0.4
391.19464	1.5
392.20108	0.7
393.20959	2.0
405.16553	2.4
405.21667	0.8
406.18152	1.3
407.22751	4.0
418.17386	2.0
419.18637	3.7
420.19562	1.5
421.20261	3.8
422.20654	0.6
423.21964	0.8
431.18939	0.5
432.19366	0.8
433.20377	12.3
434.21262	4.3
435.22089	4.7
446.21365	0.7
447.17117	0.7
447.22144	1.6
448.18750	0.8
449.19687	5.5
450.20477	0.7
461.19006	0.7
462.20490	1.4
463.21341	3.6
464.22272	1.5
473.20624	0.6
475.21466	0.5
477.22986	1.2
479.25140	0.5
493.22650	2.2
495.23795	1.2
505.22318	1.9
507.20972	0.9
509.22470	1.7
520.25000	0.7
521.26123	7.1
522.22400	3.3
523.22858	2.5
535.23157	2.3
549.25159	3.8
550.25854	0.6
555.81354	0.4
567.22980	1.8
577.66046	0.4
579.26190	2.7
580.26605	1.4
581.26544	1.6
591.25824	0.7
609.27112	14.1
610.27814	0.7
637.25348	0.8
669.29248	100.0
670.29602	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	669.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91581	0.3
55.05508	0.4
67.05505	0.8
71.50715	0.6
79.05500	0.8
81.03435	0.8
81.07069	1.0
81.70073	0.3
91.05493	0.8
93.07047	0.9
98.88061	0.3
98.88878	0.3
105.07052	0.7
121.10149	0.6
223.12231	0.4
223.82513	0.4
251.14133	0.3
309.40192	0.4
377.17862	1.1
379.19473	0.8
391.19257	1.5
392.20007	1.0
393.20938	1.9
394.21729	0.4
404.20493	0.5
405.16724	3.0
405.21738	0.7
406.17868	1.2
407.22638	4.6
418.17838	0.8
419.18362	2.6
420.19138	1.9
421.20206	3.0
423.21985	0.9
433.20825	3.5
434.21317	4.6
435.21884	7.4
436.22382	1.0
447.18146	1.9
447.22733	1.2
448.18588	1.0
449.19617	5.4
459.22192	0.4
461.19748	1.2
462.20435	3.4
463.21164	4.4
464.22101	1.2
475.21335	1.3
479.21017	1.0
489.22858	1.0
493.22379	0.6
495.23694	0.5
507.20087	0.7
509.21829	0.8
521.25958	8.0
522.22974	0.7
528.37500	1.8
535.23505	0.7
547.27197	0.9
549.25055	19.7
549.71741	0.5
550.25830	1.1
577.24207	0.6
580.27344	0.4
581.27832	2.7
609.27106	14.1
610.27789	0.9
669.29230	100.0
670.29517	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	668.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.9
57.03429	11.6
57.07077	3.0
61.02921	3.2
67.05505	65.1
69.07068	8.2
71.04250	3.4
71.04980	3.5
79.05491	18.4
81.03425	49.7
81.07043	32.6
83.04980	5.6
83.08622	17.6
85.02911	12.6
89.47558	3.7
90.08997	3.4
91.05476	26.4
93.07049	33.9
95.04968	13.3
95.08613	30.0
97.02877	4.5
97.10139	4.3
99.08095	10.4
105.07028	33.6
107.04948	4.8
107.08588	39.1
109.06518	6.1
109.10160	83.4
111.08047	7.6
114.70824	3.0
117.07015	5.7
119.04939	3.9
119.08584	76.9
121.10147	27.3
123.07990	3.5
123.11694	7.0
129.06979	7.1
131.08575	25.6
133.10136	30.8
135.08049	4.0
135.11710	22.1
137.09645	6.9
143.08594	4.5
145.10123	35.4
147.08067	5.0
147.11696	61.5
149.09645	3.7
149.13269	9.4
155.10661	7.1
157.10126	12.7
159.11720	31.9
161.13301	13.8
163.11252	9.9
163.14836	4.9
171.11662	10.0
173.11728	13.8
173.13289	19.6
175.11235	5.3
175.14828	12.6
177.12831	3.7
177.16423	21.0
187.14847	47.7
189.16359	16.6
191.14328	3.7
193.12224	16.6
195.13895	4.7
199.14690	8.2
201.16383	88.7
203.14302	4.2
203.17978	5.0
205.15884	80.8
207.17528	16.4
213.16429	10.2
215.17999	5.4
216.58943	3.5
219.17505	18.8
223.16908	9.5
227.17905	3.5
229.14352	94.7
267.15903	76.7
351.86890	3.8
353.28583	3.4
389.32016	6.7
403.24869	9.7
407.33099	51.8
421.25891	100.0
425.34241	47.1
435.32443	12.4
443.35168	10.5
453.33649	40.3
471.34671	50.2
489.35672	5.8
503.02567	4.1
586.02875	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	668.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.8
57.07048	6.7
57.29796	4.7
59.43574	4.8
67.05499	18.6
69.07064	22.3
69.48507	29.5
75.94042	5.6
79.05472	18.4
81.03414	15.7
81.07050	38.8
82.11053	5.2
83.08611	17.7
85.02892	9.9
91.05469	13.9
92.24127	5.8
93.07044	36.3
95.04951	7.0
95.08604	44.6
105.07036	41.3
107.08609	47.7
109.06552	5.4
109.10156	62.4
117.07008	8.3
119.08585	52.0
121.10134	44.6
123.11703	12.1
129.06903	6.1
131.08572	22.8
133.10126	57.3
135.11684	22.4
137.09613	5.7
143.08583	6.4
145.10146	40.8
147.11661	42.7
149.13277	12.1
157.10118	17.3
159.11711	47.2
161.13234	22.6
163.11182	13.2
163.14764	27.6
167.10541	5.2
171.11679	22.5
173.13258	24.1
175.14842	21.5
177.12741	12.3
177.16336	13.3
183.11696	8.0
185.13239	22.2
187.14854	41.4
189.16412	38.9
191.14372	9.1
193.12239	11.5
195.13788	18.6
197.13292	6.0
199.14832	20.1
201.16377	49.3
203.18030	14.3
205.15891	50.1
207.17406	13.4
211.14944	7.6
213.16388	13.9
215.17941	14.7
219.17332	13.0
223.16881	20.8
229.14340	22.3
235.16841	6.3
241.19482	7.8
247.17001	12.9
255.20923	12.2
267.15823	13.1
283.20441	9.0
301.21631	12.6
334.82553	5.5
349.54346	5.6
353.34946	5.4
355.26352	7.7
389.31766	11.3
407.33145	65.2
421.25800	20.0
425.34286	44.2
435.32657	45.1
443.35239	55.0
453.27985	8.4
453.33725	100.0
471.34708	56.4
489.35767	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77505	1.5
55.01865	2.1
55.05507	10.1
55.64225	1.5
57.07080	2.6
61.02908	1.7
63.51307	1.7
64.03948	1.7
66.77866	1.5
67.05518	8.4
69.03415	4.8
69.07059	8.5
70.52161	3.9
70.52504	4.2
71.05000	1.9
79.05490	10.1
79.72158	1.6
81.03422	3.7
81.07066	14.6
82.80854	1.7
83.04986	3.1
83.08604	5.8
85.02905	14.5
85.06554	2.3
91.03992	1.5
91.05461	17.6
93.07046	22.7
95.08611	25.2
95.55790	1.7
97.02881	4.6
99.08094	12.1
105.07034	32.0
107.08603	42.3
109.10172	13.2
115.29621	1.9
117.07027	4.5
119.08589	57.4
121.10155	31.9
123.08106	2.4
123.11700	5.1
127.03952	2.1
131.08568	30.5
133.10138	36.5
135.08154	1.9
135.11694	19.7
137.06006	3.2
137.09624	3.6
137.13185	2.0
143.08580	4.7
143.14558	2.1
145.05032	2.8
145.10144	33.7
147.11696	55.4
149.09502	2.2
149.13268	6.3
151.11154	1.9
157.10106	6.3
158.10884	3.3
159.11708	30.1
161.13251	14.1
163.11174	11.6
163.14830	11.1
170.10947	2.0
171.11668	5.8
172.12381	1.9
173.13268	15.7
175.14864	21.2
177.12724	2.7
177.16382	19.5
179.14381	3.1
180.08669	4.8
185.13278	6.4
186.14021	2.2
187.14824	42.3
189.16389	53.8
191.14273	2.4
191.17937	8.6
199.14841	6.0
201.16396	100.0
202.16835	2.4
203.14235	2.4
203.17961	8.0
205.15900	82.8
207.17467	23.6
213.16397	7.0
215.14465	2.3
215.17973	5.2
219.17490	15.2
221.08099	4.4
223.16954	6.7
227.17886	5.5
229.19383	2.7
231.17462	2.6
243.21329	2.5
247.16960	4.1
264.02658	1.8
353.28302	5.4
379.33984	1.8
389.32159	9.0
407.33118	60.1
423.32114	2.1
425.34149	41.9
435.32529	5.7
443.35352	11.8
453.33633	42.2
471.34772	10.5
487.44296	1.8
622.85895	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50304	1.6
53.03969	1.9
55.01868	2.1
55.05512	10.4
57.03442	15.3
57.07072	4.5
57.07352	1.5
59.04994	3.8
61.02916	3.0
67.05509	69.3
69.03439	6.5
69.07075	10.9
71.00682	1.6
71.01009	3.2
71.04987	5.2
73.02922	2.9
79.05497	13.5
81.03424	58.2
81.07056	26.1
83.04977	5.3
83.08626	18.6
85.02896	9.3
85.06532	4.4
91.03971	2.5
91.05496	22.4
93.07042	31.1
95.04991	15.7
95.08611	31.0
96.36370	1.6
97.02879	5.9
97.06561	2.3
97.10202	1.9
99.08111	8.8
103.05472	3.0
105.06407	3.5
105.07043	35.0
107.04974	4.4
107.08602	35.6
109.06528	2.7
109.10166	80.9
110.10485	2.0
111.08115	5.3
117.07013	5.4
119.04992	1.8
119.08588	65.8
120.08914	2.0
121.10159	28.8
123.08044	3.8
123.11710	7.3
125.09607	3.4
127.03947	1.9
129.07004	5.6
131.08580	34.0
133.06526	3.3
133.10144	39.6
135.08051	2.9
135.11703	18.0
137.06024	2.1
137.09633	6.4
137.13255	2.0
142.07716	1.8
143.08565	5.4
145.10130	28.3
147.08092	2.6
147.10524	3.6
147.11696	64.2
149.09634	5.4
149.13295	10.7
153.01743	2.0
155.10660	7.3
157.10127	13.0
159.11710	23.3
161.13219	10.0
163.11200	7.2
163.14827	7.1
164.27551	1.9
169.10156	2.4
171.11739	6.4
172.12450	2.8
173.11737	14.0
173.13283	11.3
175.11211	8.0
175.14807	15.9
177.12798	4.5
177.16360	17.1
180.08664	3.8
183.11708	3.5
185.13234	6.4
187.14832	44.6
187.16476	2.6
189.16411	23.5
191.14348	3.1
191.18015	4.8
193.12263	13.8
197.13348	2.2
199.14865	7.6
201.16394	84.9
203.14305	3.2
203.18022	4.6
205.15901	69.7
207.17465	14.0
213.16452	12.4
215.14343	2.4
215.17970	4.7
217.15787	2.5
219.17485	12.3
223.16972	7.7
225.16417	2.1
227.17984	3.8
229.14357	94.3
229.19440	3.1
231.17419	3.6
235.16928	3.0
245.31194	2.2
249.14832	2.3
265.18103	2.2
267.15936	87.3
329.21375	2.1
353.28369	3.0
389.32028	6.3
403.24802	10.6
407.27887	2.3
407.33160	50.2
421.25876	100.0
422.26385	3.8
425.29135	2.6
425.34311	42.0
435.32718	4.8
443.35486	9.0
453.33737	45.5
471.34915	24.7
489.35684	5.2
685.55817	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.6
57.03432	13.4
58.81578	2.0
61.02915	2.6
65.03965	2.0
65.44301	2.1
66.06119	2.1
67.05509	71.2
69.03414	6.5
69.07060	8.3
71.04995	3.9
71.49257	3.6
79.05502	15.6
81.02940	2.7
81.03426	52.7
81.07067	25.1
83.04974	3.4
83.08627	19.5
85.02899	8.6
85.06551	5.2
86.64632	1.9
91.05489	29.1
93.07056	25.9
95.04970	16.6
95.08614	26.9
97.02891	5.4
97.06557	3.3
99.08089	8.5
105.07040	30.6
107.08607	37.7
109.02902	2.2
109.10166	85.6
111.08072	5.9
114.46290	1.9
117.07008	5.2
118.23483	2.0
119.08589	58.9
121.06498	4.5
121.10155	28.7
123.08047	5.1
123.11708	5.0
127.03922	3.7
129.07008	3.9
131.08580	32.1
133.10139	36.8
135.08054	3.2
135.11682	18.5
137.05910	3.5
137.09630	3.9
143.08609	3.7
145.10139	30.5
147.11700	60.8
149.09621	4.0
149.13258	6.9
151.11154	3.3
152.51646	2.2
155.10712	11.4
157.10143	12.2
159.11703	26.3
161.13272	12.0
163.11195	10.4
163.14822	8.7
165.12781	2.3
169.69756	2.2
171.11711	5.9
172.12483	2.6
173.11749	16.7
173.13293	8.1
175.11240	7.4
175.14842	13.8
177.12727	5.5
177.16402	17.8
179.14372	3.7
180.08685	4.2
183.11725	3.1
185.13306	8.3
187.14816	52.6
189.16409	24.8
189.65652	2.2
191.17934	3.3
193.12253	20.3
195.13875	5.4
197.13235	3.6
199.14824	7.0
201.16396	87.9
203.18004	4.8
205.15898	71.0
207.17406	14.2
213.16429	10.9
215.14368	2.0
215.17912	3.7
219.17459	14.5
223.16917	5.5
227.18077	3.0
229.14362	93.1
231.17459	2.7
233.19113	3.9
241.19289	2.1
251.28596	2.2
267.15933	78.8
277.38104	2.4
353.28467	4.4
389.31860	4.1
403.24789	9.4
407.33176	46.0
421.25903	100.0
422.26083	2.6
425.29132	2.6
425.34277	45.1
435.32425	2.4
443.35416	10.1
453.33713	39.6
471.34656	29.5
489.35718	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	667.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.5
55.00938	1.4
55.01879	4.3
55.05518	18.8
57.03442	11.0
57.07081	42.4
67.05510	36.6
69.03431	20.1
69.07067	15.4
71.04988	8.5
71.08640	31.7
79.05061	2.8
79.05493	23.3
81.03425	94.0
81.07063	44.3
83.04988	13.5
83.08620	23.5
83.72558	1.5
85.02920	11.4
85.10191	15.0
86.09710	2.5
87.04469	1.6
91.05486	24.5
93.07053	15.8
95.04980	19.9
95.08616	33.1
97.02900	24.9
97.06541	3.2
97.10182	7.5
99.04462	7.4
99.08111	3.1
105.07048	18.1
107.04974	4.2
107.08586	8.3
109.02885	18.6
109.06532	5.3
109.10159	17.4
111.04468	11.5
111.08084	7.0
115.05468	2.5
117.07023	3.3
117.72189	1.4
119.08591	14.6
121.06482	3.2
121.10151	8.3
123.08106	2.3
123.11735	7.5
125.09637	1.6
127.03919	18.3
129.05499	2.1
129.07018	8.7
131.04947	1.9
131.08577	8.6
133.06523	3.0
133.10129	10.3
135.11748	2.6
137.13284	2.5
142.07780	2.6
143.08577	3.2
145.06502	2.9
145.10133	2.8
147.08057	3.1
147.11688	19.8
149.09654	5.0
153.12723	2.9
157.10162	8.0
163.11179	4.6
165.12746	8.5
171.11830	1.5
173.04469	2.1
173.09683	1.8
175.11217	9.3
176.74390	1.3
181.12215	4.0
183.06624	1.9
184.07449	6.5
185.07693	1.5
191.10689	5.1
193.12268	37.2
206.67456	1.6
211.13298	49.7
227.12868	4.7
229.14423	3.2
235.13391	3.6
239.23701	9.7
247.13400	1.8
249.14862	3.0
255.13948	2.8
267.15967	18.7
273.14935	3.7
283.15524	1.7
285.17068	3.6
289.14444	1.5
301.14401	4.6
313.27393	35.5
313.30777	2.6
319.15518	2.2
337.16595	6.6
351.02921	1.9
355.17480	9.9
375.18094	1.8
383.27954	2.8
411.20157	15.1
442.22928	1.5
505.38840	5.0
523.39929	15.7
649.42926	2.7
667.44208	100.0
668.44189	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	667.3298
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
50.79722	0.4
51.22467	0.4
53.03941	1.0
55.05503	1.5
57.03439	1.6
61.02926	4.2
65.86624	0.6
66.39394	0.5
67.05505	3.8
69.03429	2.5
69.07069	1.1
71.04991	0.7
71.50291	0.8
73.02930	2.8
79.05506	3.0
81.03415	3.3
81.07075	2.9
83.05007	0.7
83.08623	1.2
83.80630	0.4
85.02911	4.2
85.06552	0.5
87.04455	0.5
91.03975	2.2
91.05475	3.0
93.07063	3.3
95.04970	1.5
95.08601	1.5
97.02894	3.8
97.06529	0.9
97.10137	0.7
99.04445	0.8
99.08071	0.5
101.02380	1.5
102.21497	0.5
105.07023	2.6
107.04992	0.7
107.08608	2.4
109.02898	0.7
109.10165	1.1
115.03988	0.6
118.82717	0.4
119.08582	2.7
119.38946	0.5
121.02859	0.5
121.06532	0.5
121.10170	1.4
127.03903	1.1
127.69838	0.5
129.07027	1.1
131.08553	1.3
132.42078	0.4
133.10173	1.3
135.11699	3.4
137.05991	0.5
145.02899	0.6
145.10136	1.5
147.11684	1.4
149.09653	0.8
155.67409	0.4
157.10175	1.6
160.60107	0.4
163.11282	0.8
173.13223	0.5
175.11203	0.8
175.14851	0.5
177.05518	1.5
187.14819	0.6
193.12297	1.2
203.16222	0.5
234.58095	0.5
243.08458	1.3
287.05545	1.0
342.14978	0.6
364.40808	0.5
439.19461	5.5
469.20502	7.1
667.33002	100.0
668.33173	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	666.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
57.07068	2.1
57.99893	1.1
66.45796	0.9
67.05492	3.6
69.03414	2.0
69.07063	2.5
70.05294	4.6
70.74075	0.9
79.05486	6.1
81.06647	1.0
81.07071	9.1
83.08609	2.8
85.02917	6.6
85.06535	1.0
88.72742	1.0
91.05481	6.7
93.07043	12.6
95.08060	1.4
95.08614	11.8
97.02872	1.9
97.06568	1.1
98.20811	1.0
99.08100	12.9
105.07040	13.7
107.08597	24.0
109.10163	11.5
117.07021	3.7
119.08589	25.9
120.76067	1.1
121.10148	13.9
123.08102	1.3
123.11703	3.3
126.41048	1.2
131.08566	15.2
133.10136	22.7
135.11705	14.7
137.09619	1.5
137.13203	1.9
141.06963	1.5
142.07848	1.5
143.08549	5.3
145.04959	1.2
145.10127	16.8
147.10527	1.6
147.11691	30.3
149.09619	1.6
149.13226	4.5
151.11188	1.8
153.12782	4.0
155.08562	2.2
156.09315	1.7
157.10138	10.1
158.10884	1.6
159.11694	14.4
161.09683	1.2
161.13277	10.9
162.07635	1.2
163.11209	1.4
163.14801	3.9
164.02432	1.1
165.12708	2.5
169.10077	3.2
170.10912	1.6
171.11717	8.5
173.13254	14.4
175.14748	5.6
177.12810	5.1
177.16354	4.7
179.14320	1.8
180.08670	2.8
183.11736	8.9
185.13272	13.4
187.14842	21.9
189.16389	5.7
191.14281	2.1
195.11693	1.0
195.13814	2.8
197.13261	3.9
199.14868	15.0
201.16403	16.6
203.14261	1.3
205.15912	16.5
207.11520	1.2
207.13745	1.3
209.13258	2.3
211.14783	4.2
213.16438	6.6
215.14236	2.8
215.17960	3.1
217.15869	5.2
217.19490	1.1
219.17317	2.5
223.14935	2.1
223.16896	9.6
225.16330	3.5
227.17979	4.2
229.15881	1.3
231.17413	4.0
239.17982	2.1
243.17374	1.4
245.19174	1.2
253.19498	3.7
255.20981	1.8
257.19019	1.2
265.19513	2.4
267.21051	1.6
271.20529	4.9
273.22186	1.4
279.21048	1.2
283.20599	24.2
285.22107	2.0
301.21625	6.6
333.25897	1.6
351.26724	4.6
369.27975	5.9
387.30368	2.2
405.31534	20.9
407.33124	1.6
423.32651	30.6
424.33072	1.5
425.34155	1.9
433.30774	1.4
441.33676	100.0
442.34030	2.6
451.32141	12.5
452.61252	1.1
469.33145	6.7
487.34079	4.4
557.24304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4052
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
54.00632	0.9
55.05515	6.3
57.07072	1.6
63.25913	0.9
67.05514	6.7
69.07077	8.3
69.85533	4.6
75.00469	0.8
76.94192	0.9
79.05498	4.0
79.05959	0.9
81.07069	11.6
83.08628	13.1
83.09080	1.6
89.03915	6.8
91.05487	7.8
93.07055	11.8
95.08614	25.0
97.10146	1.4
99.08116	2.2
103.75307	0.9
105.07037	17.6
107.08601	19.5
109.06538	1.3
109.10175	11.1
109.23553	0.9
117.03389	19.8
117.04166	1.7
117.07020	2.8
119.08591	29.4
119.09482	1.5
121.10154	15.4
121.40821	0.9
123.11731	8.6
128.06259	0.9
129.07013	1.8
130.07814	0.9
131.08583	12.5
133.10141	17.2
134.03647	0.9
134.10387	0.9
134.62999	1.0
135.11714	13.8
137.13251	1.7
143.08595	6.6
144.09401	1.1
145.02856	50.9
145.10141	17.4
147.11703	12.4
149.05984	10.0
149.13286	5.3
151.11174	1.0
157.10147	5.7
158.10881	1.3
159.11710	15.4
161.09659	1.4
161.13277	8.7
163.03928	1.7
163.07605	1.7
163.14824	6.5
167.08623	1.1
169.10146	3.1
170.11000	1.5
171.11716	7.5
173.13289	10.4
175.14844	12.9
177.05489	100.0
177.16383	7.5
183.11687	3.6
184.12477	1.3
185.13304	6.9
186.05508	1.4
187.14856	14.5
189.16414	17.1
191.17966	2.9
195.06535	28.4
197.13274	5.3
199.14836	10.1
201.16393	21.7
203.14377	4.2
203.17979	10.0
205.15858	4.5
207.13803	1.1
207.17435	4.4
209.13290	2.5
211.14931	6.2
213.16382	9.3
215.17989	3.8
217.19557	1.2
219.17444	2.6
221.15419	1.1
223.14853	1.8
225.16437	2.5
227.17970	1.6
229.19496	1.8
231.17476	2.3
233.15385	2.9
237.16701	1.0
239.17982	3.1
241.19463	1.8
245.15402	5.1
247.16975	2.0
249.14900	3.8
251.17992	1.7
253.19591	3.3
259.17059	4.8
267.21115	1.8
279.21130	1.4
281.22830	1.6
283.16919	1.1
285.18503	1.5
297.18600	1.3
299.20078	1.9
307.24338	1.8
313.21628	1.5
335.27448	1.1
353.24600	1.7
363.30539	1.5
389.32126	8.9
407.33163	13.1
409.31128	13.9
425.34293	2.2
427.32117	2.2
435.32648	27.4
436.32962	1.1
453.33722	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	665.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98354	0.3
53.03965	0.5
55.01877	0.8
55.05509	1.0
57.03438	1.6
61.02933	3.0
62.20335	0.4
67.05513	5.4
69.03436	2.2
69.07076	2.4
69.32548	3.4
71.05006	0.7
73.02926	2.8
78.42310	0.3
79.05496	3.8
81.03428	1.6
81.07066	5.8
83.05002	0.6
83.08626	1.4
85.02899	3.4
88.12183	0.3
91.03973	1.7
91.05494	2.0
91.06007	0.4
93.07046	5.0
95.04971	0.8
95.08607	2.1
97.02890	2.8
97.06528	1.2
98.21558	0.8
99.04482	0.9
100.18872	0.4
101.02380	1.7
105.07049	1.2
107.08598	3.0
109.02901	0.9
109.10198	0.4
117.07021	0.7
119.08618	0.4
121.10163	2.3
127.03954	1.1
131.08545	0.8
133.10214	0.9
135.11664	0.8
149.13268	4.0
159.11742	1.2
185.04189	0.6
195.13734	0.5
235.13124	1.3
236.33359	0.4
243.08444	1.6
269.17706	0.7
275.20111	0.8
287.24173	0.4
291.15863	1.1
453.20993	12.6
503.29193	0.5
665.35114	100.0
666.35565	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22189	0.2
52.96029	0.2
53.81359	0.2
55.01861	0.4
61.33340	0.2
69.03430	0.3
69.07087	0.3
69.78127	0.7
77.03922	0.2
79.05501	0.7
81.03418	0.5
81.07044	0.4
85.02906	0.5
85.69968	0.2
91.05502	1.0
91.61557	0.2
93.07021	0.3
94.04187	1.5
95.04980	0.5
95.08619	0.4
97.02909	0.2
105.07036	0.6
107.04954	0.5
107.08620	0.3
109.02905	0.4
109.10172	0.3
110.42275	0.2
115.05479	0.9
117.07025	0.8
119.04978	1.0
119.08603	0.6
121.10211	0.5
122.03653	4.8
131.04976	0.4
133.10101	0.4
137.05986	100.0
138.06337	0.9
143.04944	6.1
145.02846	0.3
145.06503	0.6
145.10156	0.3
147.04416	4.2
151.03920	14.3
151.04991	0.9
163.03952	0.5
163.07507	0.5
167.07016	0.6
173.06041	0.3
173.13287	0.3
175.07574	2.1
177.09131	0.2
203.07028	1.5
205.08630	2.2
290.21475	0.2
292.22229	0.2
327.12299	7.9
357.13345	53.1
358.13654	0.9
415.63474	0.2
417.15503	0.3
421.30554	0.2
467.31317	0.3
503.33865	1.1
665.22113	0.9
665.38690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19026	0.5
52.09675	0.5
53.03940	0.9
55.05515	0.8
56.54812	0.6
57.03443	1.2
61.02938	2.8
62.75306	0.5
67.05518	5.2
69.03428	2.0
69.07071	2.0
71.05012	0.8
71.50221	1.2
73.02931	2.8
75.03302	0.5
79.05512	3.3
81.03423	1.6
81.07072	5.3
83.05007	1.3
83.08623	1.1
85.02914	3.3
91.03969	2.0
91.05479	2.8
93.07050	4.6
95.04997	1.5
95.08619	2.3
97.02892	3.4
97.06528	1.4
99.04441	0.9
101.02432	0.7
105.07055	2.4
107.04964	0.5
107.08604	2.7
109.06525	0.9
109.10156	1.4
111.04473	0.6
111.08076	0.8
117.07054	1.5
119.08566	2.1
121.06518	0.6
121.10182	2.1
123.04414	0.7
123.08114	0.7
127.03899	0.9
131.08597	1.6
133.10153	2.0
135.11755	0.6
137.09592	0.7
145.10173	1.3
147.04462	0.8
147.11652	1.1
149.13263	1.8
159.11700	1.5
163.91129	0.5
173.13275	0.6
177.05527	0.6
177.12827	0.6
183.11586	0.6
185.04218	0.6
185.56129	0.5
195.13815	1.0
235.13069	1.8
243.08441	2.3
269.17630	1.3
281.60251	0.6
453.20996	15.1
476.17499	0.6
496.04175	0.7
503.30054	0.8
665.35089	100.0
666.35571	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	665.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
69.03392	0.5
69.82690	1.2
69.83107	1.5
78.04712	0.9
79.05484	1.7
81.03395	0.6
82.04232	0.5
85.02902	1.3
91.05489	0.7
93.03422	1.0
93.36355	0.5
95.04971	0.7
98.03652	0.5
103.05505	0.7
106.04156	1.2
107.04959	4.5
115.05456	1.9
117.07031	5.0
123.04447	4.3
124.05196	2.0
125.05970	0.7
127.05412	0.5
129.07019	0.5
137.06053	0.6
145.06502	8.1
147.04434	0.6
151.03952	1.0
152.04657	1.7
153.05518	0.7
155.06061	2.9
157.06500	0.6
164.30020	0.5
165.05557	0.6
167.07050	100.0
168.07524	0.7
173.04488	0.8
173.06006	19.7
181.04973	25.7
189.06886	0.5
201.05624	1.0
205.08661	3.8
218.05827	0.8
233.08156	6.8
235.09665	3.4
252.11275	0.7
263.09512	0.6
264.18585	0.5
323.12357	1.0
381.13416	0.6
387.14331	8.3
399.14441	2.9
417.15485	78.1
418.15842	1.3
421.65530	0.6
542.50232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18752	0.4
53.03931	0.7
55.01857	0.8
56.40525	0.4
63.09843	0.4
65.03941	1.0
67.05516	0.5
69.03421	0.8
69.66983	2.6
70.27869	0.4
75.92034	0.4
78.04693	1.6
79.05495	2.3
81.07045	0.7
82.04196	0.6
85.02898	1.2
87.03468	0.4
91.05471	1.5
95.04925	0.8
95.08585	0.5
97.06521	0.6
103.05473	1.3
106.04188	1.3
107.04968	3.9
110.03658	0.8
115.05471	3.2
117.07022	4.7
123.04426	6.1
124.05223	2.3
125.05964	0.5
127.05424	0.8
135.08008	0.4
137.05986	1.2
138.03111	0.5
144.05753	0.6
145.06499	7.3
147.08055	0.7
151.03938	0.5
152.04691	1.9
153.05490	0.8
155.06032	3.6
157.06493	0.4
167.07048	100.0
168.07513	0.9
171.06636	1.0
173.05997	16.0
175.07510	0.9
181.04964	25.0
195.06549	0.5
201.05455	0.9
205.08630	3.5
218.05760	0.7
233.08081	5.8
235.09668	2.6
285.12030	0.5
379.23599	0.4
381.13275	0.6
387.14401	7.2
399.14340	2.4
417.15466	72.3
418.15622	2.1
514.07025	0.5
615.61298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	49.8
65.11557	0.6
67.05479	0.8
68.75094	0.6
71.00100	1.7
72.93169	0.6
77.03972	1.3
91.05502	6.0
105.06976	1.8
107.48938	0.6
118.62482	0.6
119.08518	1.5
132.09308	0.8
147.11694	5.2
153.07011	4.5
171.31343	0.8
211.20282	0.8
228.09229	1.4
229.10162	1.3
233.03679	5.5
243.59094	0.6
251.04686	14.9
293.22043	0.6
307.10864	1.2
327.07831	100.0
328.08197	2.6
363.17087	0.9
383.14105	76.8
384.14514	2.3
439.20383	67.7
440.20874	2.0
459.21759	1.5
479.02710	0.8
495.26657	76.1
496.26837	1.9
533.25696	1.1
551.32904	94.0
552.33069	4.7
592.26086	0.9
603.33270	1.3
607.39154	59.3
608.39417	2.4
663.35266	8.8
663.45490	12.5
664.35718	0.7
664.45892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31433	1.5
52.57079	1.3
55.05514	8.3
57.03201	1.5
57.03442	12.0
57.07079	29.8
59.04987	3.5
60.91138	1.2
61.02916	6.2
67.05508	68.3
69.03397	1.3
69.07069	6.3
71.05000	3.2
71.08302	1.7
71.08640	20.6
71.50355	1.1
71.50768	2.2
79.05482	3.4
81.07064	17.4
83.08616	9.7
85.02895	4.2
85.06528	2.7
85.10183	10.8
87.04493	2.8
88.20930	1.3
89.06044	1.6
91.03960	2.6
91.05463	4.6
93.07054	5.1
95.08620	17.6
97.02882	2.5
97.10161	2.7
105.07011	2.3
107.08597	3.1
109.10164	70.5
111.08096	2.1
119.08571	7.1
121.10164	1.6
123.11646	2.7
137.09613	2.7
139.48004	1.3
155.10646	5.2
163.11221	1.3
173.11766	17.5
184.07307	1.7
189.12773	1.9
229.14359	100.0
257.24643	1.7
260.52332	1.3
300.02768	1.5
313.27374	78.4
406.67624	1.4
431.48285	1.5
438.22607	1.4
467.37372	60.7
468.37433	1.9
619.59918	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.9
57.09244	0.6
58.99865	1.0
69.03414	2.9
70.99844	0.8
71.48299	0.9
79.57101	0.6
81.03420	1.4
82.99863	1.8
85.02911	3.1
89.03902	0.6
89.55495	0.6
97.02891	2.4
98.97574	2.7
101.00880	12.6
109.02880	2.0
110.97539	1.2
113.00864	3.1
115.02469	0.8
116.98637	1.6
117.03374	1.5
119.01924	19.0
120.01981	0.7
127.02419	2.6
127.03907	1.4
128.98613	0.8
129.00331	1.6
129.04042	1.1
131.01915	6.6
131.04930	0.9
135.04402	3.5
137.02933	0.9
137.05975	0.9
139.02380	1.7
143.01901	23.9
145.03595	11.5
145.04768	0.9
147.01385	2.8
147.04324	0.9
149.05991	1.0
150.06779	1.2
153.01833	2.0
155.01900	19.6
157.03482	7.5
158.99689	1.0
159.07390	0.7
161.01567	0.8
161.02975	21.7
163.03906	49.3
164.04184	0.7
167.01901	13.3
169.02171	0.9
169.03444	4.6
170.99741	1.0
171.01265	0.7
171.05049	3.7
173.02974	19.4
175.04539	1.6
177.00542	0.8
177.02388	0.7
179.01904	6.7
181.03539	0.9
185.01151	2.4
185.02963	44.1
186.03229	1.1
187.04556	5.0
189.02440	0.9
189.03993	1.5
189.05956	0.8
193.03540	1.4
195.05035	1.2
197.02974	15.2
198.02975	0.9
199.04510	1.2
201.00699	1.1
201.02383	1.2
203.01935	5.9
203.04016	10.4
205.01912	1.6
205.03561	1.1
207.05084	3.4
209.02937	2.2
210.03824	0.6
213.02405	1.1
215.02107	1.0
215.04044	8.4
217.03523	1.8
219.01668	1.3
219.05122	1.3
221.02977	83.5
221.04950	4.7
222.03011	1.3
222.04848	1.4
223.04675	1.7
227.01927	0.8
227.04021	11.0
231.03296	0.7
231.07143	1.3
233.03006	1.6
233.05095	0.9
235.04564	4.5
237.02751	1.5
239.04024	12.0
241.03555	1.6
243.05254	0.9
244.04562	1.3
245.02911	15.2
245.05101	100.0
246.05342	3.8
247.04773	2.6
253.05597	1.5
257.02890	1.3
257.05099	12.0
257.14288	0.7
259.04526	5.7
261.02319	9.4
261.04648	2.0
263.04010	33.9
263.06265	8.6
264.04172	1.1
269.02979	1.3
271.04413	0.8
275.03922	2.2
275.06244	11.9
277.03079	0.9
277.05652	6.4
279.03491	12.2
281.05090	33.8
282.05060	1.0
283.06741	0.9
285.02209	0.9
285.04941	1.0
288.07419	0.9
289.05594	1.2
293.04510	1.1
293.07214	2.8
295.06549	4.7
297.08023	3.8
297.58344	0.8
299.06555	3.4
301.05472	0.8
302.05066	0.9
303.03131	3.5
304.06570	1.0
305.07452	10.7
306.07938	0.7
307.06567	0.7
311.06445	3.4
317.05081	2.4
319.06552	1.0
321.04559	17.9
321.10428	9.4
323.06143	8.4
329.05081	0.7
335.08185	2.8
339.05621	7.5
339.09317	1.4
344.06396	0.8
347.06091	8.9
353.07193	2.5
357.06702	1.3
363.05609	13.8
365.06769	18.6
367.09662	0.7
375.05508	1.3
379.08688	1.9
381.06702	45.8
382.07135	1.3
383.08276	13.2
387.11176	0.8
389.07346	1.0
393.06726	11.7
399.07843	2.5
405.06683	1.0
406.10385	0.7
407.08163	9.4
411.07437	3.4
411.12363	1.9
423.07977	3.8
425.09259	2.4
435.07870	0.8
437.09290	2.7
441.08661	5.7
447.07806	4.1
455.10132	0.8
465.08798	9.0
483.09753	7.7
501.10583	3.7
527.12299	1.6
545.13599	6.5
627.14136	0.9
663.16406	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	662.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	12.2
55.05511	49.1
57.03432	18.1
57.07067	23.6
67.05506	69.7
69.07069	37.9
69.67941	6.1
71.05027	7.6
79.05497	85.8
81.07058	81.7
83.08618	24.4
87.04465	100.0
91.02020	6.4
91.05477	42.3
93.07043	71.2
95.04970	10.0
95.08610	57.0
97.10172	38.0
105.07045	43.8
107.08605	76.9
109.10153	30.1
111.08115	7.9
119.08596	31.5
121.06501	10.3
121.10159	24.0
125.09628	39.3
131.08565	18.6
133.10155	17.1
135.11694	22.2
145.10129	27.1
147.11671	16.8
149.09636	8.7
149.13283	8.6
157.10086	9.8
159.11710	15.6
189.11238	17.2
201.16513	9.3
219.12416	7.6
227.12796	54.7
257.18982	12.9
261.22089	21.8
275.20053	44.6
277.21588	8.1
335.25909	75.2
349.23764	48.7
401.43616	8.2
505.35297	22.4
609.45203	62.6
662.24493	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	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42235	3.1
53.03946	15.4
55.01873	5.6
55.05516	39.5
57.03426	14.4
57.07084	16.8
65.03947	4.3
66.01490	3.1
67.05507	100.0
69.06742	3.4
69.07076	41.9
71.04992	8.8
71.50652	3.6
79.05084	5.7
79.05499	82.4
81.03412	6.7
81.06599	5.4
81.07060	88.1
82.07414	4.2
83.04970	8.7
83.08614	20.8
85.06516	4.7
87.04475	38.9
91.05484	62.1
93.07052	86.0
95.04956	11.9
95.08612	67.5
97.06527	11.3
97.10162	20.1
97.63057	3.8
105.07035	55.0
107.04948	9.5
107.07890	4.3
107.08606	58.9
109.06528	6.1
109.10155	30.7
111.08071	5.9
117.07031	23.7
119.08595	37.2
121.06488	5.0
121.10139	30.3
123.08055	4.4
123.11745	4.3
125.09632	14.1
128.06189	4.2
129.07018	7.7
131.08578	33.8
133.10158	25.4
135.08075	7.7
135.11690	17.1
137.09613	4.0
141.06941	4.2
143.08563	10.6
145.10104	28.0
147.11656	16.8
147.88147	3.8
149.09657	9.9
149.13263	11.3
152.31967	3.7
157.10109	7.9
159.11708	21.0
161.09843	3.0
161.13228	16.6
163.11182	9.4
163.14876	4.3
171.11687	3.6
173.11879	6.5
173.13284	12.8
175.11189	5.3
175.14958	5.9
177.12701	5.2
185.13167	8.2
187.14771	6.5
189.11220	7.6
197.13300	6.2
203.14256	4.9
227.12805	30.3
239.17868	5.9
257.19022	14.7
261.22083	9.8
267.51935	3.6
275.20078	39.1
277.21649	4.1
289.35526	3.3
293.21039	3.6
301.62946	3.4
333.24350	4.0
335.25858	72.2
349.23773	28.1
385.16223	4.1
489.35519	10.4
491.36957	5.1
515.37543	5.3
521.37695	6.1
529.38934	6.6
546.41309	9.2
550.41779	13.1
551.33295	4.9
566.62854	3.3
569.42200	9.6
609.45160	25.8
626.86328	3.5
627.46387	4.3
644.49017	4.7
653.11469	3.9
662.46545	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.5
55.01866	7.2
55.05513	29.2
57.03444	17.9
57.07066	10.6
65.03925	4.4
67.05505	100.0
69.07068	32.0
71.04982	6.0
71.08628	2.6
71.49868	3.1
79.05496	73.7
81.03419	4.4
81.07059	99.7
83.04976	7.4
83.08613	15.4
85.06545	5.7
87.04469	38.4
91.05489	68.9
93.07050	91.9
95.04981	12.0
95.08607	57.7
97.06524	11.4
97.10171	6.2
104.19420	2.6
105.04490	4.1
105.06325	4.4
105.07022	45.8
107.04980	4.5
107.08608	41.3
109.06521	9.7
109.10171	20.5
111.08092	5.4
115.05505	2.8
117.07019	22.5
119.08579	38.7
121.10143	29.5
123.08092	3.0
123.11715	5.2
128.06104	2.9
129.07048	4.2
131.08568	28.5
133.10141	23.8
135.08075	4.0
135.11685	20.4
143.08521	6.0
145.10130	23.6
146.74550	3.1
147.11694	16.9
149.09627	8.0
149.13271	12.4
151.11163	2.8
157.10127	7.0
159.11768	13.7
161.13264	7.0
163.11168	5.5
163.14803	3.2
169.10129	3.4
171.11681	6.3
173.13266	7.7
175.14764	3.6
177.12801	3.7
183.11610	3.9
185.13300	4.7
195.13879	5.3
199.14809	3.6
203.14418	4.6
206.70961	3.0
219.17519	4.1
247.96146	3.3
255.15907	10.0
257.18988	5.4
261.22153	10.2
269.17480	12.8
275.20074	23.8
277.21527	3.5
309.20297	3.8
335.25793	85.5
349.23709	12.4
459.21729	4.5
505.38541	4.5
515.37317	17.2
529.38879	55.5
562.37225	3.2
569.42133	14.1
606.28210	4.9
609.44568	6.2
622.27740	8.0
662.44104	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	662.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01887	2.1
55.05513	16.8
57.03442	23.5
57.07064	1.8
61.02921	3.1
63.58458	1.7
65.03943	2.6
67.05510	44.5
69.03424	4.1
69.07067	14.0
69.74788	5.1
69.75200	4.0
71.01364	2.1
71.05003	4.7
79.05501	45.7
81.03425	52.3
81.07066	31.5
83.04997	15.9
83.08622	21.9
85.02917	17.6
85.06539	3.8
86.09711	6.4
91.05489	32.7
92.05808	1.9
93.07050	50.0
95.04979	24.6
95.08617	11.0
97.02906	3.8
97.06543	10.4
97.10201	8.0
99.08089	2.4
105.07027	17.5
107.04980	5.1
107.08607	27.3
109.06551	5.3
109.10175	6.3
111.04436	2.1
111.08091	7.8
113.06055	2.2
117.07043	3.8
119.08594	15.4
121.06495	1.9
121.10161	10.8
125.00027	3.6
125.09643	1.9
129.07011	8.8
131.08617	9.7
133.06590	1.7
133.10155	11.8
135.11699	40.9
137.09624	3.1
142.07813	2.1
145.10135	8.4
147.11713	10.9
147.54245	1.6
149.09669	3.4
153.12808	2.2
157.10158	10.4
158.68904	1.7
163.11179	7.2
165.12762	2.4
167.31609	1.9
175.11208	11.6
181.12250	8.9
184.07317	8.9
193.10484	2.1
193.12242	34.2
211.13309	43.5
249.14949	2.2
255.15933	92.7
256.16333	2.1
267.15936	25.8
285.16992	25.9
307.59125	1.8
357.37964	1.8
432.17255	3.0
447.27505	64.6
454.16418	2.5
465.28522	100.0
466.28979	2.2
497.17706	2.6
498.18292	5.5
525.17230	2.1
529.20673	2.9
598.19971	6.0
619.23682	2.6
630.22815	21.7
662.25519	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	662.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86391	5.4
57.14943	6.1
75.63326	4.9
79.05451	6.6
85.02907	14.8
87.60641	5.3
91.05472	19.5
91.11960	5.4
93.03419	7.9
93.07036	10.9
103.05466	12.9
105.07009	14.2
106.04164	11.1
107.04939	8.2
119.04944	10.1
119.08524	6.5
121.02876	12.7
121.06491	19.7
123.04427	9.9
125.06002	10.9
131.04994	12.5
133.06436	10.1
137.05977	19.5
144.82089	5.6
148.05132	8.8
149.06006	34.6
153.09126	11.2
161.05971	17.7
163.03951	9.7
163.07513	14.4
167.07063	43.8
175.07451	8.1
177.05469	24.1
179.07001	10.2
181.04991	34.0
181.08574	23.3
184.07346	13.3
191.07033	39.9
203.06999	13.1
209.08105	100.0
213.96336	5.4
218.96582	6.3
219.10222	6.7
261.62909	6.4
265.08572	7.4
313.70801	6.0
415.51373	5.7
417.15509	6.8
435.38803	6.2
462.82397	6.5
662.36914	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	662.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55090	0.9
57.05598	1.0
57.07073	1.3
70.71255	0.8
70.71610	2.2
74.02382	0.9
75.84569	0.9
76.22691	1.0
80.24345	1.0
87.04458	9.4
113.58865	0.9
226.61374	0.9
233.78812	0.9
396.43796	0.9
403.19672	1.5
415.19308	1.1
417.20840	2.3
431.18472	2.9
432.19284	1.7
433.23911	3.5
444.19299	3.6
445.20175	3.4
446.16861	2.7
447.18100	3.0
459.21793	40.3
460.22601	7.0
461.23724	4.4
473.23306	3.1
475.21225	14.0
476.21774	2.6
487.25259	1.8
491.24286	1.1
503.24585	1.5
519.23468	7.0
528.82910	1.1
531.23511	3.5
533.21722	2.0
535.23566	3.5
545.25531	2.7
546.26080	1.5
547.27179	23.9
562.25500	1.6
563.26093	3.4
574.26324	2.2
591.25806	2.9
593.23578	3.9
602.27979	1.3
605.27924	4.8
606.28375	100.0
607.28809	5.4
622.27856	58.5
622.36401	0.8
622.38373	1.8
623.28137	2.1
630.26880	1.9
662.29700	12.3
690.19373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67222	0.6
53.03942	1.7
54.14756	0.7
55.01862	1.0
55.05516	6.4
55.14938	0.6
57.03443	8.5
57.07073	1.6
61.02927	1.5
63.06263	0.6
64.19164	0.6
65.03949	0.9
67.05511	34.2
69.03422	0.9
69.07070	11.7
69.31850	0.6
69.32137	5.6
71.04981	2.0
71.66177	0.6
75.78174	0.6
79.05500	21.3
79.60070	0.6
81.03447	0.8
81.07062	45.5
83.04984	3.6
83.08624	8.6
85.02887	1.5
85.06552	2.2
91.05492	11.2
93.07050	31.7
95.04979	2.7
95.08613	9.9
96.61092	0.6
97.02918	0.7
97.06540	7.4
97.10105	0.7
98.20773	1.2
99.08100	1.5
105.04536	0.8
105.07033	2.9
107.08601	18.9
109.06548	1.8
109.10155	1.3
111.08109	3.7
113.05954	0.7
117.07032	4.7
119.08581	1.1
121.06494	1.1
121.10163	11.9
123.11740	1.0
131.08586	5.6
133.10139	5.1
135.08080	0.7
135.11716	4.1
139.11182	0.8
140.43265	0.6
147.11703	1.2
149.09666	1.0
149.13271	23.1
159.11702	7.8
167.31651	0.6
177.12692	4.5
191.95209	0.7
195.13829	7.3
213.14900	1.1
251.16449	0.6
269.17499	58.2
270.17914	0.9
364.99707	0.7
463.30576	100.0
464.30847	2.1
539.63696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49218	0.5
55.01861	0.5
55.05508	1.8
57.03445	0.7
67.05507	3.1
69.03419	0.6
69.07063	1.7
71.50719	0.5
79.05495	1.7
81.03423	0.6
81.07048	2.8
83.05008	1.1
83.08632	0.8
86.80863	0.4
87.04477	0.9
91.05501	2.0
93.07065	2.3
94.57529	0.5
95.05010	0.7
95.08606	1.3
100.11279	1.8
100.52192	0.5
103.22793	0.5
105.07066	1.7
107.08619	1.3
109.10171	1.0
116.36052	0.5
117.07014	0.6
119.08607	1.3
121.10114	0.7
122.09459	0.6
131.08652	0.6
133.10178	1.1
135.11661	0.7
140.06836	0.8
143.08612	0.5
143.68396	0.6
147.11691	0.9
150.05298	6.7
150.10185	0.5
154.08412	1.2
159.11913	0.5
161.09619	0.6
168.10068	0.8
184.07455	0.5
184.45569	0.6
194.11603	0.7
222.11023	12.9
222.13107	0.8
240.12199	1.0
247.14320	0.5
263.13727	2.4
277.15286	2.9
290.57687	0.5
311.25812	0.5
335.19403	4.2
349.21039	1.0
353.20795	0.7
363.18869	4.6
367.21973	0.7
377.20554	12.2
407.21542	0.9
430.26944	1.9
435.24557	2.8
449.26169	2.6
462.25565	2.4
476.27304	11.7
492.26959	1.1
534.31891	1.1
548.33130	1.8
589.35913	4.7
661.41522	100.0
662.41718	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42569	0.9
53.03939	1.9
53.21182	0.8
55.01861	1.4
55.05515	6.8
57.03440	4.8
57.07072	1.3
57.35824	1.0
61.02927	3.7
65.03902	1.3
67.05511	27.7
69.07074	9.4
70.68298	2.3
71.04985	2.4
79.05492	19.7
79.23732	1.2
81.03413	2.1
81.07059	41.2
83.04979	3.3
83.08625	7.4
85.02901	2.4
85.06581	1.9
91.03992	1.8
91.05480	11.6
93.06485	2.1
93.07050	30.3
95.04966	3.3
95.08613	11.4
97.06561	4.7
99.08076	1.4
102.15526	1.0
105.04560	1.0
105.07000	5.4
107.08606	15.9
109.06506	1.3
109.10152	3.1
111.08091	4.8
112.54438	1.0
117.07037	4.1
119.08585	2.7
121.06586	1.6
121.10152	8.9
123.11727	2.3
124.07614	0.8
129.07042	1.7
131.08572	9.6
131.19337	1.0
133.10138	8.2
133.65027	0.9
135.11703	5.4
139.11197	1.4
143.08543	1.4
145.10104	1.4
147.11720	2.0
149.13292	11.1
155.64291	1.0
159.11691	6.6
169.10121	1.1
171.11792	1.0
177.12698	1.8
183.03436	1.1
184.07352	1.9
185.13274	0.9
195.12239	1.0
195.13797	6.3
243.89090	0.9
251.16551	1.6
251.39873	0.9
266.31906	1.0
269.17508	28.3
326.06915	1.0
353.24884	2.6
371.25925	1.4
389.26840	1.1
445.29547	15.1
463.30576	100.0
464.30984	3.7
528.00909	1.0
607.35022	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09698	3.1
53.03938	9.4
55.01873	19.2
55.05518	55.6
57.03433	15.1
57.07080	21.2
67.05508	100.0
69.03418	3.8
69.06737	5.7
69.07073	60.1
71.04990	5.9
71.08647	15.7
71.50508	3.4
73.02930	4.1
77.31622	3.1
79.05496	55.4
81.03416	16.1
81.06601	5.2
81.07060	99.5
83.04974	11.2
83.08626	43.2
85.06544	3.2
85.10194	7.9
89.06014	4.7
91.05484	41.9
93.06498	4.5
93.07044	57.7
94.07368	3.8
95.04955	7.3
95.08077	4.7
95.08618	58.2
97.06531	13.3
97.10181	24.0
98.98471	85.1
99.08035	3.6
105.07046	27.0
107.04943	8.2
107.08601	33.4
109.06529	7.7
109.10175	25.3
111.08086	5.2
111.11678	5.7
111.51603	3.8
113.00008	3.8
117.07015	14.9
119.08587	20.8
120.31956	3.4
121.06488	6.6
121.10138	24.1
123.08118	5.0
123.11700	11.5
125.09678	4.3
131.08539	19.4
133.08594	4.7
133.10135	11.0
135.08034	3.9
135.11697	25.1
137.00003	5.7
145.10117	10.9
145.58543	3.8
147.08098	3.3
147.11716	11.3
149.13263	26.6
155.01051	66.2
159.11699	19.1
163.11293	6.3
171.11693	3.7
177.12753	36.2
185.13254	3.6
195.13779	17.8
216.12202	3.5
227.12802	18.5
229.14337	5.6
233.15337	3.9
235.15297	3.4
237.22014	19.3
251.16434	51.7
269.17514	34.4
275.20163	6.0
309.18555	4.4
311.25778	57.5
313.27353	14.5
314.27594	12.8
349.14056	16.5
371.05670	3.9
405.16718	14.4
423.17761	11.3
468.37494	4.3
487.37497	10.1
489.35681	13.1
505.38916	49.0
547.39655	30.5
562.19446	3.9
633.91284	3.7
659.24939	43.6
659.37134	7.2
660.24805	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	659.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01868	0.7
55.05501	1.3
57.03436	0.4
66.51209	0.3
67.05512	2.9
68.99807	0.5
69.03437	2.0
69.07081	1.8
71.04978	1.1
71.49567	0.3
71.49986	0.4
79.05503	2.3
80.23750	0.3
81.03428	5.6
81.07063	9.8
83.04978	0.7
83.08620	1.3
85.02883	0.8
85.06541	0.8
91.05479	3.2
93.07039	2.1
95.04996	0.7
95.08628	3.0
97.02900	1.6
97.06524	0.8
99.04461	0.9
99.08090	0.5
105.07034	6.4
107.04982	0.7
107.08613	1.9
109.02893	3.7
109.06530	0.8
109.10185	0.4
111.00804	0.8
117.07059	0.4
119.08586	4.5
121.02865	2.4
121.10155	3.3
123.08081	0.7
123.11692	3.1
124.81890	0.3
127.03923	3.1
127.07571	0.5
131.08559	0.5
133.02815	0.4
133.10127	0.9
135.04411	0.3
136.00800	0.3
137.02327	0.8
137.05951	0.4
137.09572	0.3
137.13261	0.4
138.71906	0.3
143.18542	0.3
145.06529	0.3
145.10138	0.6
147.04427	0.9
147.08157	0.3
147.10515	0.5
147.11696	9.8
147.12830	0.7
153.01846	3.7
153.51266	0.3
157.06465	0.7
157.10104	0.4
165.01839	1.4
165.12773	6.7
167.06946	0.3
175.11168	0.6
177.12604	0.4
183.02902	0.6
183.13896	1.6
185.05980	0.5
193.12257	1.8
196.60144	0.3
211.13348	0.9
213.05476	1.0
218.74477	0.4
227.11987	0.4
229.14362	3.0
231.06572	0.8
241.05000	0.8
253.13429	0.4
258.05286	0.9
259.06024	0.5
271.09680	0.3
271.14435	0.8
287.05518	100.0
288.05884	1.3
288.60043	0.3
329.06482	0.9
337.16425	1.4
355.17664	2.0
404.05234	0.3
456.16364	0.4
469.20416	1.2
627.24786	0.4
659.30426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.5
57.07084	3.2
58.48263	2.6
60.05661	2.6
67.05505	7.8
69.07066	6.5
71.04986	2.6
78.29366	2.5
78.96484	2.1
79.05494	8.0
81.07050	14.0
83.08640	2.5
83.41417	2.7
91.05461	3.5
93.07059	6.6
95.08603	9.5
98.20776	7.8
105.07073	3.2
107.08631	4.7
109.06572	2.4
109.10177	4.6
119.08619	3.3
121.10177	3.2
122.80221	2.9
135.11719	3.0
140.06847	2.7
147.11720	2.6
163.11168	2.6
227.12799	7.1
249.13853	3.0
308.58002	3.2
311.25854	3.6
318.15881	3.8
364.17441	2.9
365.18378	3.9
376.17401	4.1
377.18097	4.4
378.18689	2.6
381.20941	3.0
391.19870	3.0
406.21936	2.6
407.22742	4.7
408.19345	5.8
409.20706	5.4
419.18362	2.8
421.20126	7.4
422.20920	2.7
423.21893	19.8
435.21924	7.3
436.22739	5.5
437.23410	5.6
447.21988	3.2
449.23801	5.1
450.24167	3.1
451.21210	5.2
454.20523	3.4
461.23215	7.7
462.21362	2.8
463.21069	4.6
465.23074	5.8
467.24493	4.8
477.23135	6.2
479.24631	7.9
481.21835	2.7
493.22223	4.0
494.26483	5.6
495.23856	17.1
496.24713	5.4
508.24628	18.1
509.25964	12.0
510.26199	11.0
511.26993	12.0
521.25134	9.2
523.23596	3.4
531.39880	5.5
537.25201	21.3
538.25739	12.0
545.38599	15.6
549.25189	2.9
553.27802	10.7
555.26288	4.5
565.24713	4.4
566.25793	2.6
570.28125	5.9
581.27411	24.9
583.25696	5.7
597.27112	52.8
598.27521	7.2
613.30286	79.9
625.26556	100.0
625.36926	4.7
626.26776	4.4
657.28711	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.2
57.07096	3.5
57.58534	2.9
60.05659	4.6
67.05516	21.6
69.07068	5.9
69.20140	3.8
69.20531	27.8
79.05501	16.2
81.07069	27.1
83.08622	5.6
85.06547	3.5
91.05473	7.1
93.06554	3.0
93.07043	15.3
95.05016	4.5
95.08633	19.4
98.21536	7.0
104.17336	3.1
105.07035	8.2
107.04928	5.2
107.08602	10.5
109.10162	7.7
117.06983	4.8
121.10115	8.3
133.10109	5.1
135.11697	13.3
145.10091	8.8
163.11244	15.7
181.12334	3.3
198.25636	2.8
227.12868	26.0
238.14304	2.8
362.16367	3.7
379.19510	4.8
391.19241	5.7
393.21039	3.3
407.18097	3.9
408.19235	3.7
409.20206	5.8
421.19986	8.4
423.21948	21.2
435.21844	8.5
437.23462	6.1
446.21362	3.7
449.23709	4.3
451.21039	5.0
454.20135	3.6
461.23236	10.3
463.21414	4.7
465.22934	3.6
466.23376	3.5
468.24985	3.6
476.22220	5.6
477.23013	7.3
479.24545	8.4
481.22272	3.6
491.21152	4.3
493.22046	6.7
494.26340	6.5
495.23672	12.9
496.24454	5.3
508.24548	12.4
509.25363	12.7
510.26126	9.7
511.27258	14.3
521.24908	5.2
522.26312	3.8
523.23083	3.6
531.40070	5.5
537.25024	25.8
538.25830	10.4
545.38434	47.0
553.27161	4.5
565.24597	6.2
570.28522	5.1
581.27808	29.1
583.24567	6.4
597.27112	54.8
598.27820	9.8
613.30280	77.8
625.16858	6.1
625.26624	100.0
657.28497	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	655.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98755	0.3
67.05498	0.5
69.27612	0.5
69.28015	2.2
75.04452	0.4
79.05496	0.4
80.69879	0.3
81.07056	0.3
91.05460	0.3
126.80710	0.3
167.83896	0.2
174.78824	0.3
358.36682	0.4
363.52997	0.3
377.17798	0.5
390.18576	0.3
391.19287	1.1
392.19989	0.8
393.20917	0.4
405.16257	1.9
405.21313	1.0
406.22153	0.5
407.17807	0.4
407.22440	4.4
408.23486	0.3
418.17734	0.5
419.18091	3.0
420.19476	1.3
421.19775	1.6
429.25638	0.3
432.19321	0.5
433.20721	4.3
434.21103	4.3
435.21854	7.7
436.23053	0.7
447.17914	1.3
447.22171	1.5
448.18661	0.8
448.23492	0.6
449.19116	1.9
460.23187	0.5
461.19571	1.2
461.24313	0.8
462.20395	4.2
462.25467	0.3
463.21228	3.8
464.22119	0.4
475.21356	2.0
476.22214	1.0
477.22916	1.6
478.24341	0.5
479.20370	0.8
489.22876	1.1
491.20172	0.5
493.22128	0.5
493.26541	0.4
494.23157	0.4
495.23828	1.5
506.23007	0.5
507.20215	0.8
508.24841	1.4
509.25604	1.6
521.25714	11.0
522.25604	0.4
534.22772	0.4
535.27155	0.4
549.24982	17.7
550.24994	0.7
553.24591	0.8
563.26642	2.6
564.27551	0.8
577.24585	0.8
581.27710	3.7
595.29327	8.2
609.26996	9.2
610.28204	0.5
623.28613	1.2
655.31281	100.0
656.31549	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	656.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01877	4.3
55.05519	21.5
59.47274	2.4
61.02901	3.1
63.82906	2.6
67.05508	19.0
69.03429	5.2
69.07060	8.3
71.50353	3.1
73.89944	3.0
79.05501	22.3
81.03436	6.2
81.07072	23.5
83.08615	12.5
85.02920	3.7
91.05492	20.1
93.07054	15.3
95.05010	3.6
95.08608	7.6
97.10185	21.1
103.05465	8.2
105.07028	20.1
107.04932	3.0
107.08611	14.1
109.06503	3.4
109.10151	8.2
112.46764	2.7
115.05479	4.9
117.07026	27.5
117.71358	2.6
119.08575	9.0
121.04385	3.1
121.06477	3.3
121.10135	6.4
123.08140	3.3
125.09661	16.6
129.07010	10.3
131.08589	19.2
133.06505	5.3
133.10112	6.5
135.08096	4.2
141.06981	3.3
143.08578	6.6
145.06499	6.3
145.10135	8.6
149.09627	2.9
155.08531	9.8
157.06540	3.8
157.10103	3.6
159.08067	5.1
159.11774	4.1
169.10159	6.6
171.11679	4.4
180.59999	2.6
181.10086	4.0
187.14903	5.0
189.11162	8.3
195.11725	4.3
197.13248	5.9
215.14333	24.7
227.12880	18.7
236.07289	2.6
349.21677	4.9
367.22653	12.5
385.23685	6.5
403.25046	3.2
441.26419	48.0
459.27460	100.0
477.28516	12.9
656.39777	4.7
657.39343	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2769
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
54.81362	0.7
62.13778	0.9
67.05508	1.8
69.26775	6.7
79.08537	0.7
81.07057	1.8
91.05466	1.2
93.07039	1.7
95.08620	1.5
98.21524	1.9
105.07037	1.8
107.08588	1.0
110.36030	1.0
119.08589	1.2
125.09712	1.0
131.37912	0.8
137.03769	0.8
201.10342	1.0
227.11920	0.9
275.72256	0.8
299.14151	0.9
300.14853	0.8
302.16382	1.5
328.14459	1.3
329.14984	0.9
389.17926	1.3
398.15155	1.0
401.17648	1.4
402.18408	1.0
403.19174	2.3
404.20227	1.5
414.18399	0.9
415.19305	1.9
417.20551	2.9
418.21460	1.7
419.18228	1.3
419.22937	1.1
429.20999	1.6
430.21829	1.3
431.22372	2.4
435.22223	1.0
440.15701	1.0
443.18527	1.0
445.20074	1.3
447.17606	1.4
447.22354	1.1
449.19769	2.1
458.16855	1.3
459.22211	1.6
460.23068	1.1
461.20416	1.1
462.20239	1.1
473.23895	1.0
475.21445	1.4
485.19711	0.9
487.21561	1.7
488.22348	1.0
489.18848	3.7
490.20178	1.3
491.20038	5.9
493.18582	1.1
501.22720	3.0
503.21042	1.2
505.22018	1.6
507.19919	1.4
517.22522	1.9
519.24329	1.0
520.24762	1.3
521.21368	1.1
531.23566	1.4
533.25098	2.5
535.23303	3.7
537.24689	2.0
549.24945	2.2
559.23242	6.2
560.24152	1.0
561.24939	7.8
563.23029	9.0
564.23566	6.9
577.24469	10.2
579.25836	1.6
591.26050	1.6
593.27814	3.7
605.24011	17.0
608.22809	1.1
609.27612	1.1
619.25574	32.1
620.25555	1.1
623.25122	1.4
637.26599	100.0
638.26331	2.2
655.28033	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	655.2766
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
64.65335	0.4
67.05492	0.5
71.51119	0.5
79.05505	0.6
81.03438	0.5
81.07065	1.1
91.05534	0.6
97.65731	0.4
107.08572	0.4
145.10146	0.5
158.88185	0.4
161.84962	0.4
178.79773	0.4
180.61821	0.4
199.90215	0.4
201.81865	0.4
209.10977	0.5
211.12276	0.5
300.11456	0.4
312.11215	0.4
340.14676	0.6
375.16833	0.5
376.17114	0.6
377.17847	1.1
379.19345	1.0
389.17639	1.0
390.18558	0.7
391.19421	2.8
392.20062	1.2
393.21005	0.8
404.16046	0.7
404.20532	0.6
405.16434	3.0
405.21066	1.3
406.17365	0.6
406.22116	0.8
407.22580	4.2
417.16995	0.6
418.17715	2.1
419.18430	6.4
420.19104	2.0
421.20264	2.3
431.18842	0.5
432.19699	0.8
433.20483	12.4
434.21173	6.4
435.21863	6.3
445.20239	0.6
446.21133	0.6
447.17328	0.9
447.21927	2.3
448.19028	0.6
449.19455	1.9
451.21655	0.6
461.19388	1.2
462.20309	3.2
463.21320	3.9
465.19077	2.1
475.21399	1.7
479.20938	1.1
489.23114	0.7
490.19891	0.9
491.20825	0.9
493.21967	1.9
495.20154	0.6
505.22842	0.7
507.19955	0.6
509.21445	0.5
517.21826	0.6
520.24854	1.2
521.25745	8.3
523.26880	0.5
529.38007	0.5
537.22369	0.5
548.23596	0.6
549.25055	12.8
552.24200	0.8
565.24139	2.1
577.24536	7.9
579.22467	0.6
580.26477	1.8
581.27722	1.8
595.25458	4.5
605.23981	1.1
609.26697	2.5
637.26709	7.0
655.27637	100.0
656.28333	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2766
Annotation	Cryptophycin 327
Peak:m/z	Relative Intensity
51.87463	0.4
55.05519	0.6
66.04744	0.4
67.05506	1.2
71.50293	0.7
79.05505	1.0
81.03387	0.4
81.07049	0.8
93.07055	0.6
94.38696	0.5
95.08607	0.6
107.08588	0.8
119.08547	0.7
121.10247	0.5
122.81332	0.4
128.07642	0.5
139.29816	0.4
156.86710	0.5
225.62234	0.4
311.11237	0.5
363.16089	0.7
365.17569	1.2
377.17935	1.0
378.18637	0.7
379.19302	0.9
391.15250	0.8
391.19644	0.9
392.20123	0.8
393.20975	4.2
394.21655	0.5
395.22339	0.6
405.16650	2.6
405.21725	0.6
406.21988	0.9
407.18753	3.7
409.19922	0.7
418.17886	0.8
419.18680	3.0
420.19653	2.6
421.20325	5.4
422.20657	0.8
433.20932	2.6
434.16931	0.8
435.17758	5.5
445.20322	0.7
447.17499	2.2
448.19049	1.4
449.19608	5.6
450.20328	1.5
461.19916	1.4
462.20773	1.3
463.17090	5.5
464.23605	0.5
473.19754	0.7
477.18765	2.1
478.20059	1.5
479.20847	1.0
480.21683	0.7
481.22165	0.8
489.19266	0.7
490.19839	0.9
491.20868	1.0
493.22089	0.6
495.20032	1.1
503.21118	0.8
505.22079	0.5
507.24332	4.9
508.21637	1.4
509.22382	1.8
517.22980	0.6
521.21802	1.4
535.23639	4.0
537.24921	1.0
549.25635	2.5
559.23883	1.0
563.23120	0.8
564.24133	0.7
567.26147	6.6
577.24487	4.5
595.25580	9.5
619.25397	1.4
627.28125	2.4
655.27637	100.0
656.28113	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.277
Annotation	Swietephragmin F
Peak:m/z	Relative Intensity
55.05512	11.3
55.05743	2.3
57.07063	9.6
67.05479	5.9
69.07072	3.0
79.05479	4.4
80.52177	2.5
81.03400	1.9
81.07031	6.0
83.04982	35.6
83.27134	1.9
91.05473	6.3
93.07047	5.3
95.08606	5.7
98.21546	5.7
105.07015	5.0
119.08574	2.4
124.43251	2.1
129.06979	6.9
138.35410	2.1
144.60477	2.4
147.11655	6.7
175.01595	15.2
181.02606	24.3
227.04752	10.6
237.13704	3.7
238.14592	3.8
257.05688	3.6
270.81482	2.4
283.11035	3.9
313.11942	21.8
333.17337	2.4
369.18265	8.4
377.18082	3.4
398.24670	2.6
404.19849	2.8
405.21146	2.6
407.18387	3.2
433.24594	4.0
435.17969	2.8
462.20679	3.4
463.21530	14.9
465.18518	2.2
477.19232	7.5
479.24310	2.6
491.24500	3.5
492.25272	3.5
501.22632	8.8
514.25909	3.4
519.23877	2.6
522.26105	2.7
525.24615	4.4
533.25208	9.5
535.23230	6.5
536.24408	2.6
543.19196	17.3
543.36853	2.8
550.25690	4.6
551.26233	9.5
565.28223	48.4
578.25104	3.3
579.25562	6.9
581.23645	4.8
583.28943	9.8
585.26691	8.1
593.27472	4.4
595.25421	20.9
599.16638	2.8
599.25311	40.1
609.27283	16.9
611.27740	4.1
613.26825	23.3
623.25049	11.6
637.26306	4.6
655.27484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2764
Annotation	Karajinone A
Peak:m/z	Relative Intensity
53.03942	2.9
53.63627	0.9
55.01867	0.9
55.05278	1.0
55.05516	10.6
57.07086	11.4
65.73183	1.0
67.05505	2.8
69.07064	1.3
71.50684	1.1
79.05483	1.8
81.03420	1.1
81.07048	3.7
83.04984	48.2
91.05475	6.0
93.07047	1.6
95.04977	2.2
95.08622	1.5
98.73610	1.0
98.98460	3.8
105.07048	2.6
109.10206	0.9
119.08578	1.9
121.96886	1.0
128.06213	3.3
129.07005	7.6
141.07008	2.1
143.08502	1.3
145.06390	1.0
147.08060	4.3
147.10686	1.2
147.11673	6.7
148.30330	1.2
157.07581	1.8
175.01572	22.7
181.02629	39.8
181.04234	2.1
187.01555	1.2
222.11624	1.0
223.12233	3.0
224.13075	1.6
225.13965	1.7
227.04700	13.6
231.07802	1.4
235.12267	1.2
236.12984	1.8
237.13893	5.9
238.14664	4.1
239.04700	3.0
239.15457	2.5
240.67912	1.0
247.12589	1.4
249.13861	2.7
250.14853	1.3
251.15468	5.3
252.16217	1.6
253.17046	3.5
257.05814	5.4
261.13879	7.6
263.15393	1.3
274.14417	1.1
280.15717	1.4
283.11035	4.7
313.12009	22.7
313.15564	1.1
314.16821	1.0
331.13049	1.4
352.17670	1.2
366.18954	1.3
367.19363	2.4
369.18164	14.3
377.17621	3.9
379.19452	1.8
381.21130	1.6
391.19418	2.1
392.20096	2.8
393.20920	2.3
395.18573	2.4
396.19202	1.8
405.16946	1.6
407.18796	2.4
409.20395	2.0
419.18463	1.2
421.20493	2.0
422.21216	2.3
435.18262	3.2
437.19647	1.4
438.20621	1.7
439.21765	1.7
448.19232	2.7
449.19666	3.7
450.20554	2.4
453.23175	1.2
465.18546	5.0
469.25909	3.1
476.18549	2.0
479.24298	3.8
480.22043	1.5
482.23340	2.1
487.12787	2.3
493.21368	1.1
497.25891	5.4
507.23846	5.2
508.21307	3.2
510.22571	3.3
514.25958	7.1
525.25201	6.5
529.27838	4.2
533.25092	1.5
535.23230	3.6
536.22144	1.3
542.25171	3.6
543.19031	22.5
552.23810	1.7
553.24634	4.9
557.27588	3.1
563.22571	3.2
565.27515	2.0
567.25983	6.7
570.25049	1.8
579.25757	1.7
581.23596	4.2
583.29150	1.4
585.27197	21.4
595.25531	100.0
596.25507	3.5
599.25391	48.3
613.26605	93.9
614.26563	2.6
623.24640	1.5
637.41510	1.4
655.31793	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	655.2764
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.05488	1.7
57.07064	1.3
60.06609	0.9
62.53813	0.9
65.26595	1.0
67.05498	4.3
69.07074	2.4
72.46851	1.0
79.05493	2.9
81.03424	1.6
81.07068	5.0
83.04992	1.1
89.88149	1.1
91.05483	3.2
93.07058	1.9
95.04971	2.4
95.08591	3.4
105.07036	2.6
107.05037	1.3
107.08577	1.7
109.10200	2.1
117.07022	1.3
121.10122	1.8
171.11697	1.2
221.10901	1.3
239.23796	1.1
302.14880	1.3
313.27545	2.9
383.12912	1.5
390.18295	1.8
391.19498	2.2
392.20105	1.6
393.20825	2.3
401.17834	2.9
402.18240	2.4
403.19308	2.9
404.20059	2.9
405.17007	3.1
405.21332	2.3
407.22385	4.4
415.19281	2.9
417.20795	2.0
418.17636	2.6
419.18161	5.2
420.18878	2.1
421.20462	2.3
429.20993	2.1
431.23026	1.7
433.20456	9.4
434.21484	4.7
435.21744	7.2
444.23505	1.6
445.20450	3.1
447.22037	3.4
449.19647	2.8
459.21915	1.3
460.18771	1.6
461.19391	2.9
462.20721	3.6
463.21439	2.9
477.19223	1.7
487.21515	2.7
489.19351	4.4
490.19626	2.1
491.20111	6.7
493.22266	1.9
501.23090	5.5
505.22247	3.6
507.22031	1.1
517.22266	2.8
520.24738	2.1
521.26038	7.5
533.25549	2.9
535.23920	2.2
549.25018	13.4
552.23932	1.5
559.23633	8.8
561.25012	9.3
563.22839	8.3
564.23816	8.0
565.24750	1.7
577.24554	11.1
581.27173	1.6
591.26172	2.4
593.27649	5.3
595.25543	4.5
605.24060	9.9
609.26813	3.0
619.15131	1.6
619.25488	31.8
637.26611	61.5
638.26605	1.9
654.40076	2.1
655.27637	100.0
655.40125	3.6
656.27710	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	655.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.4
53.03950	0.5
53.90923	0.3
65.03949	1.2
69.03428	2.5
69.93974	0.6
69.94387	1.1
77.03934	0.8
79.05513	0.5
81.03417	3.5
85.02920	1.0
87.27472	0.3
89.03915	0.7
91.05485	21.5
93.07085	0.3
97.02920	0.5
99.04450	0.6
103.05460	0.8
105.03306	0.4
106.65482	0.4
107.04948	0.3
109.02899	1.3
117.03416	0.3
119.04945	33.4
120.05267	0.4
121.02868	1.4
127.03938	1.1
129.03384	0.4
131.05009	0.4
132.02075	1.7
133.02837	0.3
135.04480	0.7
136.05255	0.4
137.02322	0.6
137.06053	0.5
145.02766	0.6
147.04414	28.2
149.02341	1.4
153.01840	1.2
157.03987	2.9
160.01573	0.5
161.06062	0.4
164.04697	0.8
165.01813	0.8
171.67676	0.3
174.03029	0.3
175.03914	48.7
176.04335	0.7
177.05606	0.4
179.07040	2.4
188.41446	0.3
192.04161	0.8
207.06529	100.0
208.06885	1.4
213.05461	0.6
219.06487	0.3
225.07619	1.0
231.06461	0.4
258.05176	0.5
287.05502	29.0
288.05798	0.5
351.06818	0.6
351.10779	7.4
369.11746	3.3
655.22375	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70812	0.2
54.14002	0.2
55.05515	1.6
57.07069	0.9
58.06325	0.4
58.06604	6.5
67.05495	0.6
69.07070	1.8
69.60415	1.3
70.06590	0.5
72.08160	3.2
73.06563	1.7
79.05487	0.5
81.03421	0.8
81.07066	0.7
83.04979	1.7
83.08623	0.3
84.08139	0.4
85.08932	0.2
86.09708	28.6
91.05520	0.3
95.08595	0.4
96.08138	0.3
97.10161	0.2
98.09703	0.5
100.11260	100.0
101.06020	2.1
101.11578	0.5
102.18349	0.2
105.07027	0.3
107.08639	0.3
109.10202	0.3
112.11265	0.3
114.09226	0.2
128.10695	0.5
135.11748	0.3
144.10268	0.2
146.11780	2.4
153.56485	0.2
154.12276	0.8
154.15912	3.3
157.09805	0.3
168.13866	1.0
172.13350	1.5
184.07341	0.3
186.14932	1.1
196.13387	0.5
200.16504	1.4
200.18065	0.2
210.14804	0.2
214.14388	1.3
225.15994	0.5
228.15981	5.6
245.18701	0.4
259.17191	0.2
285.21725	6.0
309.21796	0.6
313.21286	0.6
313.24820	8.4
327.22858	1.0
341.24359	11.9
342.24634	0.3
381.27249	0.4
409.26935	1.0
426.33176	0.5
427.28400	0.2
441.29807	0.3
454.32758	2.4
472.33832	5.0
498.35468	0.7
512.37646	0.3
526.35034	0.7
527.37097	1.0
540.36560	0.6
564.98730	0.3
625.45367	30.4
626.45721	0.7
653.44946	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	653.3528
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03933	13.3
55.01863	9.4
55.05513	33.3
57.03429	12.2
59.01133	3.5
65.03925	6.2
67.05183	4.9
67.05510	65.4
69.03439	23.4
69.07062	16.1
71.04979	13.8
71.09258	7.6
79.05053	3.6
79.05491	72.4
81.03418	100.0
81.07053	64.4
83.04975	41.5
83.08613	27.5
85.02891	20.2
85.06546	5.3
91.05482	82.2
92.73550	3.5
92.91577	3.4
93.07044	78.9
95.04966	39.7
95.08600	32.2
97.02870	15.5
97.06530	9.2
97.10166	10.4
99.04438	7.3
99.08086	3.8
105.04546	3.2
105.07026	54.4
107.04946	14.9
107.08598	31.2
109.02898	9.2
109.06516	13.3
109.10175	12.4
111.04451	10.6
111.08092	9.1
117.07024	16.9
119.08587	44.5
121.06522	7.7
121.10160	23.0
123.04405	4.3
123.08081	8.6
123.11699	7.0
127.03915	9.2
128.06258	4.5
129.07004	30.8
131.08578	19.0
133.10118	22.2
135.08163	3.6
135.11703	7.2
137.09593	5.4
142.07782	4.0
143.08530	11.4
145.06378	5.0
145.10136	14.0
147.08044	5.9
147.11708	34.1
149.09647	4.7
151.12570	3.3
153.12741	5.3
157.10146	17.7
159.11693	9.8
161.13231	11.1
163.11119	6.2
165.12830	3.7
166.63719	3.3
168.05861	3.8
171.11664	21.6
173.13324	4.2
175.11177	14.6
177.18375	3.4
181.12180	4.0
187.14796	3.9
189.12787	7.5
193.12231	31.7
207.13843	25.4
211.13304	36.1
225.14847	4.7
227.12834	9.1
229.19374	8.6
235.19170	3.5
247.20605	6.2
267.15909	33.1
281.17438	55.5
285.16913	10.1
355.17468	9.0
398.26089	5.2
398.41852	3.9
429.21017	16.6
456.30383	4.3
473.28931	93.2
491.29984	20.6
635.34479	37.0
653.34644	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	653.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	0.7
58.44547	0.6
63.44484	0.9
65.89902	0.7
66.79026	0.7
67.05427	3.3
69.07027	1.2
71.21711	1.7
79.05448	1.5
81.06970	2.8
91.05379	2.1
93.06951	2.8
95.04900	1.1
95.08569	1.6
105.06929	1.9
107.08534	1.3
119.08472	1.0
121.10058	1.1
147.11609	1.2
158.67886	0.7
180.58452	0.8
221.10634	1.5
223.12111	0.8
235.18031	0.7
308.10574	0.9
312.15088	1.0
326.16632	0.9
389.17538	2.4
390.18381	2.2
391.19104	2.5
392.19907	0.9
403.19391	2.5
404.20035	5.0
405.20700	16.8
415.19308	1.2
416.20139	1.4
417.21194	1.7
418.21478	2.9
419.22446	9.7
420.23157	5.4
421.23849	1.4
431.22861	1.8
433.23990	8.3
434.18768	0.8
434.24704	5.0
435.18332	2.0
445.20139	1.8
447.21048	4.7
448.19366	1.6
449.19589	8.8
450.20374	3.7
459.21896	1.3
462.20447	1.1
463.21216	6.6
464.22247	4.6
465.22845	3.0
472.19135	1.4
473.19702	1.5
475.21060	3.9
477.22876	6.3
478.23624	4.1
479.24448	41.1
486.20657	1.2
487.21506	6.5
488.21967	0.9
491.20563	2.5
491.24713	2.6
492.25021	3.1
493.26065	2.1
501.23035	6.1
502.23645	2.3
505.25513	2.9
506.26846	1.1
507.27615	20.9
517.22528	0.9
519.23969	3.8
533.25494	4.6
536.24420	1.1
537.25079	11.4
541.38794	4.4
550.26062	1.0
551.26501	37.2
552.27069	1.9
560.24011	1.4
561.25085	9.0
562.25293	0.9
563.22607	1.3
565.28162	22.2
566.28888	99.1
567.29474	4.0
575.26678	1.5
593.27618	13.5
603.25458	1.2
621.27112	19.4
622.27374	0.9
625.30182	1.5
635.28662	5.6
653.29736	100.0
654.30127	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	653.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03744	0.6
53.02171	0.6
53.27541	0.7
55.05509	1.0
56.10369	0.7
61.46294	0.9
67.05518	1.4
67.87976	0.7
69.07077	0.8
69.91573	3.3
79.05499	2.1
81.07060	2.6
85.00369	0.7
91.05499	1.9
93.07059	2.1
95.04985	0.6
95.08614	1.8
98.21532	0.7
105.07040	0.9
107.08601	1.4
109.10171	1.5
117.07047	0.8
119.08591	0.9
121.10193	1.6
123.11708	0.7
131.08612	1.3
147.04471	1.7
147.11694	0.9
147.98346	0.7
149.13274	1.1
172.04028	1.1
199.08574	0.9
211.08675	0.7
240.77542	0.7
249.10332	0.9
314.13181	0.7
375.16852	0.7
388.17142	0.8
392.16098	0.7
393.16943	1.2
403.15533	1.6
405.17410	2.5
406.18225	1.3
407.18710	4.5
408.19537	0.9
417.17365	1.3
418.17899	2.3
419.18729	3.0
420.19913	1.4
421.16422	2.5
421.21039	1.5
422.21329	1.0
431.14679	1.0
432.20102	0.9
433.20987	4.5
435.18051	6.4
436.19177	1.9
445.16388	3.4
446.17435	1.5
447.18152	2.3
449.15176	1.6
449.20081	2.2
450.20480	2.0
458.17773	1.1
459.18179	2.3
460.18982	2.2
461.20218	5.3
463.17297	5.7
464.18533	2.4
471.34424	1.1
473.15439	0.8
473.20169	0.9
475.17670	1.4
477.19232	4.0
478.20023	4.6
488.18600	1.5
489.19119	3.0
491.16568	1.4
492.17889	2.4
501.19009	0.8
504.21561	0.8
505.18454	1.6
507.19913	1.2
519.20343	2.5
521.22131	2.0
527.37506	3.2
535.24402	0.8
537.24884	1.3
547.23657	10.1
548.23822	1.2
549.21179	3.3
550.21960	1.9
564.23468	1.2
565.24384	2.6
575.23370	7.6
578.21625	2.1
579.22876	2.4
581.24274	1.0
593.24091	15.6
594.25220	0.9
607.25800	6.9
609.25763	0.7
610.99463	0.9
621.23462	2.2
625.26642	0.9
635.25049	35.0
636.25494	1.4
638.23535	4.5
653.26068	100.0
654.26239	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2972
Annotation	Haplophytine
Peak:m/z	Relative Intensity
55.05505	0.9
66.06979	0.4
67.05537	0.4
70.99368	1.0
81.07070	0.4
81.47717	0.4
83.08630	0.5
93.07060	0.5
95.08591	0.6
97.10174	0.5
109.10149	0.5
125.09682	0.6
130.30206	0.4
160.03973	0.5
171.40594	0.4
209.50874	0.5
376.16672	0.6
377.17780	1.5
389.18765	1.5
390.18469	1.9
391.19040	4.9
392.19901	1.9
403.19513	0.7
404.20526	0.9
405.20822	9.1
406.21521	6.1
407.22366	0.9
417.20734	0.7
419.22662	2.8
420.23108	6.1
421.17563	0.6
421.23843	11.4
432.23358	0.7
433.19290	3.4
433.24985	1.2
434.17212	0.5
434.24823	0.8
436.18854	2.6
445.20633	2.0
445.25958	0.4
447.21594	1.2
447.26605	0.8
449.19809	1.7
449.26953	0.5
450.20642	2.8
451.21228	1.3
452.22156	1.9
458.17365	0.7
459.18304	1.3
460.22681	1.9
462.20187	0.4
463.21521	1.1
465.22897	36.8
466.23279	1.6
473.19421	2.3
475.25806	1.0
477.26834	0.5
478.23654	0.7
479.24600	5.9
480.25357	3.7
487.21393	1.7
488.22101	4.0
491.21133	1.6
492.21906	1.7
501.22607	0.8
503.24478	39.6
504.24854	1.5
505.22064	0.9
507.27771	4.0
519.23822	0.5
533.25720	0.7
535.27100	32.2
536.27246	1.2
551.26727	4.6
561.25183	2.6
566.28857	0.6
579.26031	33.4
580.26599	0.9
593.27966	1.8
594.28436	18.6
595.28644	0.6
621.27112	16.6
622.28522	0.7
653.29730	100.0
654.29840	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	653.261
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
57.07087	2.2
63.14840	1.9
64.75200	1.8
67.05499	5.8
71.49998	2.0
79.05476	2.7
79.51835	2.1
81.03438	5.5
81.07051	6.1
86.09731	4.9
91.05473	5.3
93.07046	5.9
95.04953	2.5
95.08615	4.8
100.11246	12.2
105.07050	3.0
107.08659	3.2
109.10169	2.4
118.68587	2.2
119.08641	2.5
119.40723	2.1
121.10138	3.0
131.08556	2.1
135.11777	2.3
142.46141	2.2
175.25333	1.9
177.16393	3.2
184.07402	4.2
324.14932	2.7
377.17813	7.4
378.18521	4.0
391.19312	12.3
392.19968	5.0
393.20874	6.0
404.20029	3.2
405.20911	6.6
406.21780	2.5
407.22342	12.6
419.22986	4.4
421.20361	5.5
435.22293	12.5
447.22031	2.9
451.21252	7.2
459.17856	4.1
461.23920	3.7
462.24359	2.7
465.19333	7.9
466.19952	2.8
473.19858	3.3
479.20807	23.1
480.21524	2.9
489.23544	2.8
492.60663	2.4
501.19333	5.4
505.18399	4.6
507.23822	3.4
515.20551	4.8
517.22430	31.4
518.22961	2.6
521.25659	9.0
527.37445	14.7
537.25085	6.2
547.23285	4.5
549.25024	44.0
551.22955	8.7
565.24475	8.5
566.25372	28.6
575.22980	11.3
593.24146	18.0
594.24579	3.9
607.25409	7.8
609.27155	9.2
625.26355	4.1
625.44989	3.5
635.25098	100.0
636.25586	4.7
653.26068	91.5
654.26276	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2608
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
50.51951	0.6
55.05509	2.1
58.80550	0.6
67.05506	2.6
67.50740	0.7
71.50695	0.7
78.34549	0.7
79.05504	1.3
81.03407	0.7
81.07069	2.3
83.08605	0.7
91.05457	1.4
93.07049	2.3
95.08611	2.5
105.07038	1.8
106.06500	0.9
107.08601	1.7
109.06559	0.7
109.10166	0.7
119.08583	1.3
121.10179	1.0
123.11766	0.7
124.91661	0.8
125.51865	0.6
131.08607	2.2
133.10132	1.4
147.04445	1.2
171.11813	0.8
172.03963	1.1
183.04117	0.6
220.74428	0.6
225.10309	0.7
249.10403	1.4
251.11790	0.9
276.09702	0.6
279.01389	0.8
335.25943	0.9
377.17761	0.8
379.19141	0.8
391.19623	1.3
392.16272	0.9
393.17270	1.1
403.15381	1.3
405.17233	2.1
406.18161	0.8
407.19156	3.5
417.17343	1.5
418.17780	1.6
419.18832	3.0
420.19989	1.1
421.16559	2.0
422.21115	1.0
431.14780	1.2
432.20181	1.0
433.21088	4.0
434.17133	1.4
434.33621	0.8
435.18216	6.7
436.18954	1.9
444.15662	0.8
445.16354	3.7
446.17340	1.3
447.18466	1.7
449.15283	1.3
449.20493	1.6
450.20581	2.2
453.33759	1.2
459.18188	2.4
460.18936	2.4
461.19815	4.1
463.17273	5.3
464.18546	2.7
473.20941	0.8
475.17615	1.0
476.18500	0.9
477.19379	2.9
478.20090	4.3
479.20749	1.0
489.19269	1.9
491.17349	3.1
492.18024	3.1
493.18869	0.7
505.18195	0.8
507.22015	0.6
519.20361	2.2
521.21729	1.5
523.20319	0.9
527.37347	5.5
547.23560	8.2
548.22644	0.8
549.20868	3.1
550.22015	1.2
551.19183	0.7
563.18787	0.8
564.23322	0.9
565.24463	3.4
575.22913	8.0
578.21375	2.8
579.22394	1.2
593.24017	15.6
607.25653	7.5
609.24622	1.2
621.23499	2.9
624.25653	1.7
625.26770	2.1
635.25079	32.8
636.25458	1.7
638.24005	4.0
653.26062	100.0
654.26703	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	652.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.9
55.05510	5.2
57.07076	1.5
61.02922	1.8
67.05511	15.6
69.03430	4.0
69.07071	8.8
70.72067	2.7
71.04991	1.6
73.77763	1.4
79.05500	9.9
81.03434	2.9
81.07061	17.3
83.04939	1.5
83.08625	6.7
83.36358	1.4
85.02901	11.1
86.40122	1.5
91.05486	8.9
93.07047	18.9
95.04970	1.5
95.08608	32.5
97.02901	3.7
97.10152	2.0
99.08105	1.6
105.07030	15.1
106.66428	1.8
107.08603	39.0
109.10161	20.4
111.08020	2.0
119.08591	35.4
121.10155	28.7
123.11729	5.1
126.34249	1.7
127.03897	2.9
128.34731	1.4
131.08582	7.4
133.10129	27.5
135.08095	1.8
135.11717	13.9
137.09682	2.3
143.08528	2.0
145.05002	3.4
145.10127	20.1
147.04417	1.8
147.11699	21.3
149.09605	2.3
149.13254	8.4
153.09135	2.1
155.08603	1.5
157.10124	1.8
159.11729	14.7
161.13235	14.5
163.11185	15.4
163.14838	10.6
167.10559	1.5
171.11734	2.4
173.13275	5.0
175.11218	1.8
175.14857	13.8
177.16383	20.8
180.08737	2.9
185.13365	2.4
187.14827	39.1
189.16393	43.4
191.17961	9.5
201.16351	8.3
203.17963	45.5
205.15887	100.0
205.19495	5.1
207.17441	15.1
213.16467	4.6
215.17984	5.0
217.19841	1.8
219.17468	2.9
223.16937	2.9
231.17543	1.8
244.27354	1.5
247.17010	1.6
249.18539	16.4
253.19571	1.8
285.25964	2.0
295.24347	2.7
306.94748	1.6
313.25305	5.9
391.33685	5.5
397.26004	2.4
409.34683	47.7
427.35938	6.8
437.34232	37.4
455.29919	4.0
455.35214	18.1
539.26733	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.1
57.03441	3.5
67.05517	15.8
68.80441	1.9
69.03414	5.8
69.07066	12.2
70.55463	4.1
70.55882	6.1
71.04998	3.0
71.68607	2.0
73.02851	2.0
79.05509	10.4
79.05951	1.9
81.03419	4.0
81.07063	22.4
83.05006	2.2
83.08627	5.6
85.02911	16.9
91.03981	2.1
91.05451	10.4
93.07055	17.9
95.08614	48.3
97.02869	6.1
97.10185	3.7
105.07039	23.9
107.08591	35.8
109.10157	30.7
111.04481	1.8
111.08055	3.4
116.60617	1.8
117.07018	2.5
119.08582	41.3
121.10154	34.0
123.11696	8.4
131.08540	6.9
133.10143	33.6
135.08054	4.1
135.11687	15.8
145.04987	3.9
145.10120	25.8
147.11697	29.6
149.13278	19.0
149.61128	2.2
153.09085	4.3
159.11713	37.4
161.13252	20.1
162.07550	2.4
163.11171	7.6
163.14825	16.2
166.93211	2.1
171.11610	3.1
173.13239	9.9
175.14864	19.0
177.12787	2.4
177.16415	27.9
178.88695	2.1
179.14241	2.5
180.08673	6.6
185.13219	2.4
187.14827	47.8
189.16391	61.8
190.16832	2.0
191.17992	12.0
201.16396	13.9
203.17972	100.0
205.15887	49.3
205.19531	6.6
207.17435	11.6
209.11688	2.3
213.16370	7.1
215.18051	3.6
219.17358	3.9
221.00783	2.1
221.19029	3.2
223.16948	9.2
227.17950	2.4
229.14310	2.7
229.19572	3.8
231.17503	2.7
235.16933	4.3
241.19380	3.3
249.18550	19.0
287.05615	2.9
391.33588	18.9
395.93808	2.7
397.25751	3.5
409.34677	87.1
427.35803	9.9
434.17648	2.1
437.34204	71.8
455.29907	4.7
455.35138	21.8
473.36331	3.0
474.38654	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38179	0.4
53.03949	0.9
53.26571	0.4
57.03417	0.7
57.08390	0.4
69.03435	5.1
71.05000	0.6
71.48930	0.6
73.02923	1.0
79.01833	0.9
81.03431	3.3
85.02921	2.7
87.04474	1.1
97.02892	1.2
99.04491	0.9
103.05452	0.7
109.02889	3.3
116.09995	0.4
127.03925	5.8
131.04863	0.4
143.03435	0.6
147.04410	1.0
151.43431	0.5
153.01834	15.3
153.02910	0.7
157.02882	0.7
163.03845	0.5
171.02882	0.9
172.43002	0.4
173.02415	0.4
175.03911	1.4
181.23383	0.4
183.75311	0.4
185.02345	1.3
187.03889	4.7
191.03471	0.4
201.01775	1.1
203.03398	3.4
213.01837	3.0
215.03383	4.2
216.24565	0.4
219.02950	0.5
229.01331	1.2
230.01990	0.6
231.01154	0.3
231.02884	16.1
241.01343	3.0
247.02429	1.5
257.00809	2.1
259.02402	29.9
260.02753	0.6
275.01852	3.0
276.02667	1.5
277.03445	100.0
278.03757	1.4
285.00342	1.2
303.01373	28.2
313.03476	0.4
315.07187	0.8
321.02347	1.6
385.05536	0.9
387.03079	0.5
429.04895	0.7
447.05630	5.8
465.06647	2.8
608.71594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.6
55.01862	5.4
55.05517	31.7
57.03442	11.8
57.07064	2.2
57.88683	1.4
59.05013	2.4
65.03928	4.7
67.05509	100.0
69.03432	24.1
69.07076	18.4
71.05014	8.9
71.50847	1.7
79.05074	2.6
79.05499	35.6
81.02939	2.4
81.03425	62.0
81.07061	66.3
83.04982	22.9
83.08622	16.8
85.02902	4.6
85.06539	5.4
87.04416	1.7
91.04904	2.1
91.05488	29.9
93.07050	34.5
95.04982	9.3
95.08614	39.3
97.02902	19.7
97.06509	5.4
97.10182	18.1
99.04449	5.4
99.08070	2.0
105.07036	26.1
107.04958	3.8
107.08598	25.1
109.02901	10.0
109.06497	4.9
109.10162	59.5
111.04456	10.6
111.08070	5.6
115.05441	3.0
115.14935	1.7
117.07019	12.6
117.40868	1.6
119.08589	23.4
121.06515	4.2
121.10157	13.8
123.08067	4.3
123.11749	7.9
125.09641	16.9
127.03940	8.4
129.05522	11.6
129.07016	7.8
131.08569	17.6
133.06509	4.0
133.10114	12.6
135.08035	6.3
135.11714	9.3
137.09639	4.0
137.13223	3.3
139.11183	3.4
139.26511	1.7
141.06955	2.0
142.07817	3.5
143.08560	9.4
145.06458	3.3
145.10149	13.4
147.08064	4.2
147.11688	12.2
149.09633	3.2
149.13245	4.7
151.07613	2.1
151.11258	2.2
153.09114	2.4
155.08572	4.1
155.10672	5.2
157.06485	1.9
157.10051	7.5
159.08070	2.7
159.11702	9.3
161.05972	2.1
161.09700	1.7
161.13252	6.8
163.11163	1.7
163.14845	2.6
165.09016	1.7
167.08514	1.6
169.10139	4.8
171.10344	3.7
171.11700	6.2
173.09657	1.6
173.10132	1.6
173.11720	19.6
173.13266	8.0
175.11259	1.6
175.14844	3.3
177.12781	2.9
181.00340	1.6
181.10118	1.9
183.11664	4.5
185.09628	1.9
185.13245	4.2
187.14804	4.1
189.11226	15.7
189.12738	3.6
195.11745	3.1
195.52065	1.5
197.13382	2.0
199.14853	4.2
203.14337	2.0
213.12798	2.2
227.12794	18.7
229.14354	27.5
245.13846	5.3
261.22089	5.9
262.42615	1.7
263.23788	2.9
275.23856	1.6
277.21640	2.8
279.23288	1.9
283.20398	1.7
289.21796	2.0
299.15033	3.7
301.21667	4.8
303.23111	2.0
323.42383	1.7
335.25702	7.3
337.27386	14.8
339.23215	1.8
341.24701	3.8
351.23096	5.2
369.24286	9.0
371.16931	9.0
373.18530	7.0
387.25195	5.6
405.26288	2.9
425.26932	2.0
443.27844	2.8
461.28732	4.5
487.34225	1.9
489.35461	4.6
507.36932	3.1
531.36658	2.0
573.38068	1.8
597.37653	4.8
615.38855	7.1
633.39905	18.5
651.41150	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	651.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.1
55.01871	3.6
55.05276	2.8
55.05515	33.6
57.03433	12.3
57.07067	4.0
59.05002	2.5
65.03921	2.2
65.55347	1.5
67.05507	100.0
69.03085	2.6
69.03433	28.7
69.07065	15.3
69.43915	12.3
71.04981	8.0
73.02903	2.6
73.06588	2.0
79.05495	41.4
81.02939	2.8
81.03421	59.2
81.07059	69.1
83.04502	2.7
83.04984	38.0
83.08614	14.5
85.02895	4.9
85.06558	2.5
91.05486	31.8
93.07045	40.3
95.04963	7.1
95.08613	54.0
95.78243	1.7
97.02895	21.5
97.06522	4.9
97.10172	16.5
99.04426	6.0
99.08118	2.3
100.45217	1.8
105.07040	20.2
107.04945	5.0
107.08597	23.0
109.02879	8.8
109.06504	4.7
109.10165	50.5
111.04426	12.2
111.08064	4.0
117.07059	11.0
119.08587	18.1
121.06468	2.7
121.10174	18.9
123.08053	2.4
123.11716	10.3
125.09641	17.1
127.03913	12.7
129.05486	18.0
129.06966	9.4
131.08571	15.1
133.06500	2.9
133.10121	15.6
135.08032	5.5
135.11710	10.2
137.09612	5.4
139.11108	2.3
141.06961	2.8
143.08514	6.4
145.10135	11.4
147.08069	2.0
147.11711	8.4
149.09622	2.5
149.13206	4.4
153.09082	2.5
155.08563	3.4
155.10628	3.0
157.06474	2.6
157.10126	5.5
159.08125	1.9
159.11745	9.9
161.09680	2.2
161.13239	6.2
163.14784	3.1
167.07021	3.9
167.08513	1.6
169.10181	4.2
171.10255	2.6
171.11630	3.3
173.11732	12.4
173.13310	5.1
175.14874	3.8
183.11740	3.5
185.13257	3.9
187.14836	4.0
189.11186	16.6
189.12628	2.6
195.00771	1.9
195.11635	3.5
197.13248	2.4
213.11122	2.3
221.15608	1.8
227.12775	19.9
229.14357	25.6
241.15816	1.8
241.19460	2.1
245.13885	3.6
261.22168	10.0
263.23691	4.9
277.21732	2.8
299.14987	2.4
301.21509	5.0
303.23233	2.2
315.23248	2.5
319.22888	2.0
335.25952	13.1
337.27377	12.9
351.23132	5.3
355.17770	2.4
369.24368	10.8
371.16867	8.0
373.18564	5.2
375.25232	2.1
387.25134	6.9
405.26465	3.1
435.56366	2.3
443.27872	2.4
461.28769	3.6
479.30023	3.0
489.35815	5.8
507.37259	8.6
597.37335	4.0
615.38312	3.9
633.39984	20.3
651.40967	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.7
55.01867	4.4
55.05269	2.5
55.05515	27.5
57.03445	12.4
57.07079	3.3
59.04990	3.0
60.67046	1.4
62.13401	1.4
65.03936	4.9
67.05508	100.0
69.03436	25.0
69.06780	1.5
69.07069	16.1
69.41833	6.3
69.42252	5.3
71.01355	1.5
71.05006	8.2
79.05498	33.5
81.03419	35.1
81.06596	3.1
81.07061	57.1
83.04984	15.3
83.08633	14.9
85.02892	5.2
85.06528	4.7
86.57754	1.5
90.30890	1.7
91.05483	28.2
93.07047	34.7
95.04959	8.0
95.08611	37.5
97.02879	10.2
97.06533	5.3
97.10174	12.0
99.04459	3.9
99.08102	2.4
103.03944	3.3
105.04550	1.4
105.07036	24.1
107.04958	5.0
107.08605	19.2
109.02887	5.0
109.06522	5.9
109.10162	67.0
111.04472	8.4
111.08081	4.9
115.05450	3.5
117.07021	15.6
119.08578	20.4
121.06523	5.2
121.10147	15.0
123.04391	2.0
123.08066	3.2
123.11736	4.3
125.09658	9.0
127.03901	9.4
128.06187	2.0
129.05479	7.7
129.06967	7.7
131.04967	1.8
131.08563	16.8
133.06519	3.7
133.10124	13.0
135.08060	4.7
135.11681	8.2
137.09613	6.6
137.13235	1.6
139.11232	1.8
141.07034	2.9
142.07806	2.4
143.08595	8.2
145.06483	4.0
145.10109	15.6
147.08041	3.4
147.11708	9.5
149.09634	3.2
149.13280	8.8
153.09132	3.0
155.08572	3.4
155.10689	7.8
157.10173	5.0
159.08041	2.6
159.11684	10.9
161.13293	5.1
163.11235	3.0
163.14854	1.8
165.12776	2.0
169.10162	4.2
171.08122	1.6
171.11647	8.6
173.09593	2.5
173.11737	16.9
173.13293	6.2
174.10663	1.5
175.11244	1.9
175.14917	2.8
181.10123	3.4
182.10834	1.8
183.11748	3.7
184.07359	4.7
185.09715	2.1
185.13263	4.9
187.11098	1.8
187.14815	2.4
189.11208	8.0
189.12726	2.0
195.11731	3.1
197.13255	2.1
199.14844	3.0
215.14452	1.8
227.12712	10.8
229.14330	40.2
245.13779	3.6
261.22147	4.6
277.21533	3.0
291.22983	2.2
293.55450	1.4
297.13345	1.5
301.21652	4.3
303.23227	3.1
315.22842	1.7
319.22638	3.2
327.23090	1.7
335.25916	4.3
337.27414	4.6
339.23090	2.1
341.24683	2.8
345.24255	2.7
351.23196	5.5
353.24667	1.7
357.23886	2.2
369.24341	11.7
371.17023	4.4
373.18573	5.3
387.25327	7.2
389.27048	2.0
405.26419	3.0
406.09290	1.5
443.28036	3.6
461.29089	4.2
479.29507	3.0
487.33951	2.1
489.35715	6.7
585.37457	1.9
597.37689	4.9
615.38873	6.0
633.40021	19.2
651.41284	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	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.0
53.94343	2.1
55.01871	4.3
55.05512	30.3
57.03428	10.3
57.07071	3.7
59.05019	4.4
65.03926	4.1
67.05509	100.0
69.03436	26.6
69.07068	15.9
71.04989	7.0
73.66724	2.0
79.05496	30.4
81.02946	2.6
81.03419	50.8
81.07060	65.5
81.41935	2.3
83.04987	25.7
83.08629	13.3
85.02909	5.7
85.06564	4.2
87.04473	2.5
91.05486	28.0
93.07047	31.7
95.04980	10.3
95.08607	37.4
95.09190	3.0
97.02905	12.8
97.06549	5.4
97.10170	14.3
99.04462	6.4
99.08130	2.4
105.07038	21.8
105.89307	2.1
106.28788	2.3
107.04965	5.3
107.08590	23.8
109.02891	9.0
109.06514	2.5
109.10160	54.6
111.04453	8.0
111.08084	4.7
115.05491	2.2
117.07021	11.1
119.08598	19.1
121.06458	2.8
121.10165	13.2
123.08018	3.1
123.11722	6.7
125.09631	12.7
127.03933	6.7
128.06219	2.8
129.05527	10.2
129.07007	5.9
131.08563	16.8
133.10152	11.7
135.08037	4.4
135.11682	10.0
137.09622	3.8
143.08568	8.9
145.10101	12.7
147.08070	3.9
147.11708	9.8
149.09636	3.6
149.13272	5.7
153.09094	2.5
155.10635	5.1
157.10162	4.9
159.11690	10.7
161.09644	2.1
161.13312	5.2
163.11186	3.9
167.08606	2.6
171.11705	6.6
173.11754	14.4
173.13298	5.2
181.10175	2.8
184.07370	4.5
185.13203	3.2
189.11214	9.0
199.14766	2.3
223.14784	2.6
227.12672	10.2
229.14323	20.8
243.20963	2.0
245.13898	4.7
261.21970	4.2
263.23676	3.1
271.15143	2.6
275.16092	3.0
275.19876	2.5
277.21780	3.2
291.91718	2.7
301.21719	4.0
319.22458	2.4
335.25797	7.6
337.27264	11.4
345.23947	2.2
351.23151	5.2
369.24164	9.6
371.17093	2.6
387.25104	7.3
461.29089	5.3
479.30048	2.9
489.35883	5.4
597.37622	2.6
615.38751	6.6
633.39795	14.1
651.41107	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	651.2811
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
55.05451	0.8
57.06996	0.7
67.05434	1.5
69.06988	1.0
69.34364	5.5
79.05389	1.3
81.03331	0.6
81.06990	1.4
93.06969	1.0
93.13710	0.6
95.08518	0.9
107.08509	0.8
138.87909	0.7
147.02707	0.6
155.99496	0.8
184.07202	0.9
187.27809	0.6
273.09283	0.7
311.19531	0.6
386.15350	1.3
387.16022	1.4
390.18634	1.0
391.19122	2.4
392.20154	0.9
397.14847	0.7
399.16071	2.6
400.16858	4.5
401.17749	3.5
402.18497	1.1
403.19495	1.0
405.20697	1.9
406.21506	1.3
407.22318	3.5
411.16397	0.8
413.17847	3.3
414.18661	4.9
415.19379	9.6
416.19974	1.7
417.20789	1.9
418.19034	0.7
419.18243	1.5
419.23132	0.9
420.19064	1.3
425.17892	1.0
427.19235	2.5
428.20718	3.6
429.21381	8.4
430.22092	3.0
431.18625	1.2
433.20053	1.0
435.21979	1.5
441.17255	2.2
442.17847	1.5
443.18347	4.2
443.22617	3.8
444.18353	4.4
444.23853	2.0
445.20261	2.6
446.20914	1.1
447.17996	1.4
456.19467	2.0
457.20468	6.3
458.21286	5.3
459.17496	1.4
461.20212	1.2
471.22195	9.0
472.23129	5.4
473.19638	5.3
474.20389	2.8
475.17261	1.2
484.19098	1.0
485.19623	3.9
486.20508	7.3
487.21622	3.2
488.22070	1.5
489.23099	2.2
490.19495	4.2
499.21381	12.1
500.22885	3.7
501.18811	1.0
502.20001	0.9
503.24622	5.1
513.19373	1.5
514.20050	1.2
516.21851	1.6
517.22375	10.3
521.25525	2.3
527.20880	2.6
528.21344	1.0
531.24011	13.1
541.22461	0.9
543.23834	2.0
549.25037	7.5
559.23413	100.0
560.23700	2.9
587.22845	17.9
591.25879	2.8
619.25525	99.2
620.25903	2.6
651.28107	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30038	1.7
53.03934	4.3
55.01874	54.3
57.03418	1.8
65.03939	7.5
66.69357	1.5
67.05500	2.4
69.03143	1.3
69.03437	15.5
71.04950	1.5
73.02927	2.1
75.89218	1.4
79.05499	3.5
80.46160	1.4
81.03420	12.2
81.07047	2.2
82.04203	1.5
85.02901	18.2
87.00819	4.3
91.05482	6.6
93.07028	2.1
94.04180	2.2
95.04958	4.0
95.08575	1.5
97.02914	9.3
98.52184	1.6
99.04435	4.0
99.49802	1.4
103.05476	35.2
105.07024	4.4
107.04955	8.1
109.02905	9.5
110.03662	1.8
115.05466	5.6
117.07030	8.4
119.04951	2.4
119.39064	1.5
121.06487	6.1
122.03650	5.2
123.04413	5.5
125.05970	3.0
127.03928	16.5
131.04941	88.5
133.06488	5.6
133.10110	1.4
135.08041	2.1
137.05983	80.2
140.04663	2.5
142.02647	2.1
143.04944	2.1
145.05023	2.2
145.06464	14.1
146.07335	2.3
147.04408	5.1
148.05046	1.8
149.06004	5.2
151.03929	19.6
151.05017	2.6
153.05457	4.2
155.06015	3.4
159.03032	2.1
159.04362	7.2
160.05092	1.8
161.05989	7.1
163.07556	100.0
167.07056	34.5
167.69046	1.6
171.06607	2.6
173.05989	8.8
175.03903	4.0
175.07558	3.7
176.04712	1.9
177.05493	17.4
179.07030	6.6
181.04964	68.3
183.06535	2.5
183.85500	1.6
187.05988	2.5
189.05470	4.7
190.06235	2.6
191.07054	24.4
194.05708	6.8
196.07420	1.7
201.05385	3.8
203.06950	1.5
205.08607	7.3
207.06479	9.7
208.07242	3.7
209.08116	8.5
219.06496	13.8
221.08098	8.3
222.08824	2.1
223.06087	1.6
223.09651	10.3
231.06709	2.1
233.08167	9.4
249.07533	1.6
251.09158	80.7
259.06027	2.0
261.07513	2.3
289.10712	45.3
327.12341	2.1
373.12845	6.0
385.12753	6.2
403.13901	37.2
521.44531	1.7
565.18903	2.5
607.20276	2.7
651.19055	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
53.03933	3.1
55.01875	60.1
57.03431	1.3
61.02925	1.5
65.03941	5.5
67.05492	1.8
68.99786	2.4
69.03087	1.3
69.03432	15.8
71.04998	1.3
71.49019	1.2
73.02908	2.3
77.03905	1.2
78.04664	0.9
79.05504	4.2
81.03420	9.7
81.07082	0.8
82.04196	1.8
83.94552	0.8
85.02908	17.6
87.00824	4.5
87.04478	0.9
91.05483	5.4
93.03403	2.7
93.07052	2.7
94.04182	3.4
95.04984	3.6
97.02903	9.0
97.06561	1.6
99.04478	4.2
103.05470	31.3
104.20135	0.7
105.01871	2.1
105.07025	3.4
107.04952	9.2
108.87484	0.8
109.02870	9.0
109.06551	0.9
110.03692	2.0
111.04474	2.0
115.05472	5.0
117.01820	0.8
117.07014	9.1
118.04166	1.3
119.04966	3.5
121.06506	6.9
122.02812	1.3
122.03646	7.7
123.04456	4.5
124.05222	1.1
125.02355	1.3
125.05978	2.7
127.03930	13.5
129.01881	1.2
131.04935	91.4
133.02815	0.9
133.06511	3.2
135.04408	1.2
135.08061	2.6
136.18773	0.9
137.05981	90.6
138.03116	1.5
139.03847	0.8
140.04706	2.3
142.02609	1.8
143.04956	1.3
145.04999	3.2
145.06502	15.3
147.03069	0.9
147.04430	4.6
148.05193	1.6
149.06003	6.0
151.03925	21.3
151.05028	1.6
151.07442	1.1
152.04756	1.3
153.01883	1.9
153.05444	5.2
154.06250	0.8
155.04965	0.9
155.06067	2.4
155.07068	2.0
159.02939	2.4
159.04436	6.5
159.05501	1.1
160.05205	1.9
161.06000	7.3
162.06792	0.9
163.07549	100.0
164.07925	0.9
167.07040	40.0
171.06535	1.7
172.05225	3.2
173.06013	13.0
175.03906	5.1
175.07587	2.9
176.04716	2.7
177.05486	16.3
177.06934	1.5
178.06300	1.4
179.07062	8.5
181.04958	73.8
183.06554	1.6
187.06097	2.6
189.05472	7.1
190.06151	1.9
191.07030	25.0
193.04999	1.0
193.08661	2.1
194.05765	6.8
195.10236	1.2
196.07375	2.0
200.04782	1.5
201.05511	2.9
203.07004	1.4
205.08615	7.1
206.05750	0.9
207.06551	9.3
208.07292	5.5
209.08087	11.1
209.09921	0.8
218.05791	2.0
219.06502	16.1
221.08081	8.0
222.09001	1.9
223.06129	1.3
223.09631	11.3
227.03404	0.8
229.05141	0.8
231.06709	2.0
233.08078	13.4
241.07120	2.2
249.07626	1.5
251.09160	80.3
252.09549	0.9
259.06027	2.0
261.07596	1.7
280.07361	0.9
281.23157	0.8
289.10718	43.0
290.10748	0.8
303.04959	7.8
321.09860	1.0
327.12274	2.0
339.12503	1.1
355.11841	1.4
357.13428	1.3
367.11755	1.0
373.12750	5.4
385.12878	7.6
403.13913	51.5
404.14615	1.0
565.19489	2.4
607.19818	1.9
637.26117	1.0
651.19153	29.0
651.30005	1.8
652.19055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00453	0.2
56.05023	0.8
58.06607	0.6
60.07890	0.5
60.08169	6.2
67.05483	0.9
71.07374	3.0
71.08642	0.3
71.49869	0.3
71.50244	0.3
73.32500	0.3
77.23180	0.2
81.07047	0.8
86.09711	29.0
95.08617	0.5
98.98471	3.2
99.04462	0.3
104.10754	2.2
105.07032	0.6
106.39004	0.2
107.08572	0.4
109.10150	0.7
121.66177	0.3
125.00013	20.1
133.10106	0.3
161.11249	0.3
184.07352	100.0
185.07755	0.3
344.42862	0.3
509.38580	0.8
650.44049	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	650.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.1
56.01696	0.2
56.05025	0.6
57.07077	0.2
58.06624	0.4
60.08168	5.8
67.05500	0.7
69.59468	0.7
69.59881	0.3
71.07376	3.7
71.08635	0.2
81.07019	0.2
86.09709	30.0
98.98461	2.6
104.10756	2.2
109.10182	0.4
125.00010	20.8
184.07346	100.0
185.07800	0.3
292.07687	0.2
332.94290	0.2
394.13553	0.1
496.34219	0.2
510.30350	0.2
650.43951	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	649.41
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
51.18013	1.0
55.05510	5.0
57.07079	2.3
67.05501	4.6
69.07068	4.8
69.42085	2.1
69.42490	7.3
78.64101	1.1
79.05501	3.8
81.03428	1.9
81.07072	10.1
83.08637	6.3
89.03918	5.7
91.05468	6.0
93.07054	8.8
95.05000	1.4
95.08618	16.9
105.07034	12.3
107.08602	13.3
109.10179	8.1
117.03399	16.7
117.07040	1.5
119.08585	14.7
121.10149	13.1
123.11707	6.9
128.44125	1.2
131.08606	4.9
133.10158	12.8
135.04439	2.1
135.11699	7.0
137.13260	1.9
143.08549	2.9
145.02859	45.6
145.10130	6.3
147.11702	8.4
149.05975	7.8
149.09599	1.9
149.13298	6.2
153.09152	1.9
155.08600	1.5
157.10156	1.9
159.11694	8.2
161.13281	5.4
162.03114	1.1
163.03914	2.7
163.14870	4.8
171.11755	1.9
173.13246	3.7
175.14833	7.6
177.05486	100.0
177.16399	7.0
184.07341	1.4
185.13188	1.5
187.14856	3.5
189.16393	16.1
191.17908	4.0
195.06535	28.8
201.16373	10.5
203.17993	18.4
205.15918	2.5
207.17493	2.8
213.16451	1.6
215.17972	11.4
217.19554	2.5
227.18051	1.6
235.17021	1.2
243.21060	1.6
247.16968	4.1
249.18564	1.4
251.74899	1.3
261.18497	7.3
273.14874	2.7
301.14328	1.6
313.27621	1.4
319.15356	1.2
355.26807	1.6
391.33548	4.9
409.34656	4.9
411.32715	7.2
437.34241	20.1
613.41229	1.5
649.43878	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	649.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
57.07079	1.2
63.06246	0.5
67.05502	1.9
69.07066	1.0
69.85640	2.1
71.08623	1.0
74.63839	0.4
79.05490	0.9
81.03405	1.1
81.07062	1.7
83.08622	1.3
83.35982	0.5
85.10207	0.6
91.05489	1.6
93.07059	1.4
95.08607	1.1
98.98543	0.5
105.07066	0.6
109.10188	0.5
109.14595	0.5
119.08583	0.7
130.84433	0.4
136.17964	0.6
146.52754	0.5
193.12262	0.9
211.13158	0.6
220.10516	0.4
259.07690	0.4
313.04593	0.4
389.17679	0.7
401.17700	1.0
402.18567	1.0
403.19199	1.8
404.19904	0.6
415.19800	0.9
416.20111	1.0
417.20978	3.1
418.21991	0.8
419.22479	1.1
429.16632	0.9
430.17715	0.9
431.17972	3.3
431.23672	0.8
432.18826	0.9
432.23865	1.0
433.24591	2.4
444.19556	1.9
445.20142	6.8
446.21027	2.5
447.21912	2.1
457.20071	0.7
458.16974	0.8
459.22177	6.1
460.22534	4.4
461.23566	3.8
473.19275	5.5
474.20285	1.0
475.25244	1.4
487.20374	2.9
489.23010	1.7
501.23050	1.1
502.23801	3.0
503.24600	5.9
515.24341	1.6
519.23889	1.7
523.39935	4.0
531.24225	1.0
533.22162	1.4
545.21765	1.1
546.26642	0.9
547.27179	11.8
561.24799	4.2
573.26361	0.7
589.28088	22.1
590.28455	0.8
607.29071	2.3
617.27466	0.7
649.30212	100.0
650.30420	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	648.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
55.05514	13.9
57.03442	2.6
57.07068	4.4
61.02930	6.4
61.75442	1.9
67.05514	39.6
69.03445	10.5
69.07073	23.7
78.17770	2.2
79.05513	29.7
81.03432	6.5
81.07068	100.0
83.08631	10.5
85.02917	46.7
91.03970	2.3
91.05490	23.7
93.06495	4.2
93.07061	64.2
93.07642	3.7
95.04964	2.3
95.08617	83.4
97.02885	11.7
97.06520	3.5
97.10165	6.4
99.04456	4.3
105.04578	2.2
105.07045	63.2
107.08607	83.4
109.02912	6.0
109.06556	3.2
109.10173	73.9
111.08128	2.4
111.11771	3.1
117.07014	5.6
119.08598	66.7
121.10163	62.5
123.11710	29.0
125.09674	2.4
127.03941	11.4
131.08565	14.4
133.10136	32.0
135.11711	30.1
137.13300	4.3
139.11208	2.1
145.05016	22.3
145.06111	3.3
145.10150	20.7
147.11699	36.5
149.13280	36.1
151.11218	3.5
156.13405	2.1
157.10152	2.9
159.11705	36.1
161.13292	39.9
163.03976	2.6
163.06029	8.0
163.14821	34.5
167.18295	2.1
171.11713	2.4
173.13275	17.2
175.14850	28.4
177.16394	16.6
187.14815	14.4
189.16414	14.6
201.16399	22.1
203.17941	10.6
215.18005	32.8
229.19548	5.6
231.21060	6.0
266.03778	2.3
271.24255	60.2
288.03870	2.7
289.25314	12.6
325.73032	2.0
405.31720	3.3
422.26132	2.2
451.26459	3.3
641.87646	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	648.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23963	4.2
55.01864	8.1
65.03941	7.6
68.71602	4.3
69.03452	9.9
70.87236	4.6
70.87560	7.3
72.25465	4.1
74.20715	4.4
79.05485	6.0
81.07034	4.9
85.02886	5.9
91.05495	17.0
93.03415	17.4
93.07034	6.4
94.88764	5.3
95.04962	7.8
95.08617	5.2
103.05486	27.5
105.07057	8.3
105.08164	4.7
106.04165	19.9
107.04955	12.2
110.43913	4.8
115.05491	4.4
117.07062	4.2
119.04946	5.6
121.06525	20.6
123.04431	12.0
125.05991	11.0
131.04953	57.8
133.06483	9.0
137.05998	15.1
145.06519	5.4
147.04468	16.4
149.06004	30.4
151.03879	17.2
153.05519	9.7
153.09082	10.4
159.04428	5.9
161.06001	9.2
163.03938	10.8
163.07581	14.4
167.07050	67.6
177.05478	26.9
177.12723	4.0
179.07079	6.3
181.05051	6.6
181.08571	23.3
191.07088	5.3
195.06509	4.7
201.12799	6.2
203.07048	9.9
207.06612	38.8
209.08116	100.0
219.06512	16.7
221.08170	33.4
253.99930	4.8
289.10544	7.6
323.09262	4.2
329.17853	4.4
371.42224	5.0
403.13800	10.0
485.32703	6.2
486.33325	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	648.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.5
55.01874	8.6
65.03944	6.0
67.05502	3.5
69.03418	6.9
69.48291	6.0
69.48689	20.9
79.05483	7.1
81.03419	3.7
81.07053	3.9
85.02901	7.7
91.05493	17.8
93.03423	13.7
93.07053	8.9
95.04966	11.8
95.08584	3.1
98.89272	3.2
103.05474	39.5
105.07041	10.3
106.04172	17.6
107.04954	16.3
109.06557	3.8
109.10189	3.6
110.03662	3.9
115.05458	9.4
119.04958	9.5
121.06503	24.4
122.49001	3.4
123.04431	13.3
125.06021	10.2
128.06270	4.9
131.04948	65.7
133.06491	9.4
133.10184	4.1
135.04440	3.5
136.63608	3.2
137.06026	15.5
147.04425	14.0
147.08047	4.8
148.05069	3.3
149.05992	37.6
151.03915	25.0
152.04497	3.4
153.05492	12.9
153.09126	12.5
159.04436	8.6
161.05989	10.2
163.03928	13.1
163.07552	14.2
167.07060	71.2
175.07565	4.9
177.05418	19.4
179.07033	10.3
181.04991	7.4
181.08617	15.6
189.05537	6.2
191.07080	6.7
201.12727	5.7
203.07077	12.8
207.06557	44.2
209.08107	100.0
219.06575	21.0
219.13739	4.1
221.08096	34.2
247.13339	3.5
263.64075	3.4
279.08847	6.1
289.10718	4.2
295.58954	3.9
317.10165	4.4
323.08780	3.2
355.11673	5.5
371.10809	3.7
403.13907	5.0
440.98837	3.0
485.32486	6.7
486.33188	6.9
648.36407	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	647.379
Annotation	Abrusoside A
Peak:m/z	Relative Intensity
50.55716	0.9
51.37386	0.9
55.05500	3.6
57.03436	2.2
57.07087	1.2
59.04975	1.0
59.66506	0.9
60.98404	1.1
61.02934	1.7
65.07246	0.8
67.05496	4.6
69.03436	6.8
69.07072	6.2
69.78420	0.9
70.98387	1.3
70.98714	1.7
71.04972	1.2
75.53713	0.8
79.05491	5.9
81.03429	4.8
81.07057	9.6
83.08620	3.6
85.02908	14.7
87.04450	1.2
91.05466	6.0
93.07050	12.6
95.04961	1.4
95.08621	13.9
97.02390	1.0
97.02908	6.1
97.06544	1.3
99.04343	1.1
99.08056	2.0
100.79230	0.9
105.07025	13.5
107.08596	15.6
109.02903	1.6
109.06487	1.1
109.10178	10.7
111.08079	3.6
117.07019	2.8
119.06082	0.9
119.08597	16.2
121.06495	1.7
121.10152	16.5
123.08079	3.1
123.11706	5.8
127.03914	2.3
129.07010	2.7
131.08597	8.9
133.10133	13.2
135.11711	8.7
137.09641	1.4
139.07513	1.7
141.07002	1.2
142.07822	2.3
143.08597	5.0
145.10139	14.7
147.11699	9.7
149.09656	3.0
149.13283	4.9
151.11209	1.6
155.08560	3.2
156.09337	1.6
157.10149	8.1
159.11707	12.7
161.13213	7.0
163.11200	4.6
163.14848	4.0
165.12775	1.3
167.07069	5.4
167.08366	1.1
168.07474	1.5
169.10074	5.5
171.11702	11.1
173.13239	6.7
175.11307	1.3
175.14865	5.1
177.12717	7.9
177.16463	1.6
181.10150	1.4
183.11696	6.0
184.07387	1.6
185.13287	8.3
187.14842	8.0
189.12764	3.0
189.16370	1.5
189.26620	1.0
191.10664	0.9
191.14307	2.8
195.11757	2.6
197.13309	3.2
199.14882	5.8
201.12805	4.6
201.14748	1.3
201.16379	7.6
203.14372	6.2
205.15892	4.6
209.13284	2.5
211.14854	3.3
213.12836	1.2
213.16409	3.3
215.14357	10.0
215.17931	1.7
217.15971	3.0
219.17542	1.4
223.14893	1.8
223.16934	1.1
225.16396	3.3
227.14392	1.7
227.17949	3.8
229.15915	12.0
231.13829	1.3
231.17500	2.2
233.15244	1.3
237.16431	2.0
237.18704	1.0
239.17912	1.3
241.15866	2.5
241.19571	1.5
243.17491	8.5
245.18970	1.1
247.13304	8.0
247.17029	1.5
249.14897	3.6
251.17935	1.6
253.15974	1.9
253.19481	2.1
255.17485	7.3
257.19003	2.6
261.14780	9.3
265.19528	2.0
267.17395	1.0
269.19025	3.9
275.16409	12.5
283.20514	2.5
289.18100	3.0
301.17932	6.4
311.23602	4.8
313.17950	2.1
315.19641	3.7
329.21207	1.4
357.24225	7.9
383.25580	1.8
385.28784	1.6
386.92572	0.9
403.29968	7.3
421.31049	12.9
431.29712	2.5
437.30161	1.2
439.32101	29.7
439.38220	1.5
449.30542	17.7
467.31744	22.1
485.32666	100.0
486.32910	2.1
647.37592	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	644.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.2
57.03430	3.9
61.02939	5.2
67.05499	8.2
69.03441	1.5
69.07069	5.8
71.04977	1.1
72.59436	0.9
73.02912	3.2
74.06985	1.0
79.05504	5.7
81.03432	1.9
81.06595	1.8
81.07059	31.9
83.04970	2.1
83.08619	3.5
85.02911	7.3
85.06544	2.9
91.03971	5.0
91.05489	11.0
93.07050	5.6
95.08621	7.8
96.16461	1.2
97.02902	2.7
97.06546	3.5
98.20801	2.5
99.08091	1.7
105.07034	13.8
107.08605	5.1
109.02891	1.2
109.06526	1.4
114.59595	1.1
118.19930	0.9
119.08594	10.6
121.10150	7.8
123.08049	1.4
123.11710	15.1
127.03954	2.4
127.07589	1.4
131.04933	2.5
131.08562	1.3
133.10127	2.8
137.05962	4.7
137.13249	1.3
145.02881	1.5
145.04951	1.8
147.11697	38.6
153.01854	3.7
157.10110	1.9
161.06078	1.5
163.06049	2.9
163.07521	1.7
165.12773	20.5
167.07039	2.5
175.11189	1.6
177.05472	3.7
178.05879	1.5
179.06989	1.7
183.13873	1.5
183.22894	1.0
191.06985	1.2
209.91431	1.2
229.14337	5.7
267.15936	28.4
285.16986	100.0
352.51187	1.1
447.22388	5.5
482.25229	1.2
515.35101	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01873	0.7
55.05514	3.7
57.03440	0.9
57.07081	13.8
57.67406	0.3
59.19958	0.3
62.42530	0.3
62.97506	0.3
65.03938	0.5
66.79907	0.3
67.01167	0.3
67.05183	0.6
67.05511	8.7
69.03442	0.7
69.07076	3.6
71.04995	0.7
71.08636	10.2
71.92790	0.3
79.05501	4.7
81.03424	32.8
81.07060	10.1
83.04989	1.0
83.08155	0.7
83.08630	9.4
83.09129	0.6
85.06563	0.5
85.10191	5.5
89.06007	0.4
91.04921	0.4
91.05486	6.4
93.07044	2.9
95.04972	8.3
95.08613	9.5
97.02898	1.2
97.06563	0.6
97.10172	2.4
98.98444	0.5
105.07035	4.1
107.04967	2.1
107.08601	1.2
109.06523	1.0
109.10157	4.3
111.08109	1.9
111.11688	0.4
115.05472	0.9
117.07049	0.8
119.08595	4.2
120.40973	0.3
121.06494	0.9
121.10159	2.4
123.08109	0.6
123.11726	1.4
124.46357	0.4
127.98393	0.3
129.07011	3.6
131.08569	2.8
133.06508	1.2
133.10159	1.2
137.09624	0.4
142.07787	1.0
145.10121	0.7
147.08072	1.5
147.11713	2.0
149.07693	0.3
149.09612	2.0
157.10143	2.7
175.11205	2.9
193.12250	7.0
236.16452	4.6
239.23660	2.6
246.55969	0.4
249.14862	2.3
267.15942	1.9
281.09360	0.4
282.27972	1.4
299.18488	0.4
313.27524	1.6
324.81250	0.4
418.27188	0.4
505.38913	100.0
506.39166	1.5
587.23523	0.5
646.25732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.8
55.01861	9.7
57.03433	6.8
61.02908	5.0
63.15934	3.3
69.03441	23.6
69.52325	21.3
70.25266	2.8
71.04980	4.5
73.02916	5.4
74.09711	12.4
79.05511	4.4
81.03419	25.8
81.07059	2.7
83.04975	3.2
85.02436	5.3
85.02908	50.4
87.00838	23.1
91.05495	13.4
95.04958	5.1
97.02898	24.0
99.04462	9.0
103.03960	5.1
103.05479	15.2
105.01865	13.1
105.07042	19.6
107.04962	16.1
109.02882	18.6
111.04464	2.9
115.05482	3.4
119.04989	13.4
121.06534	6.9
122.03651	5.6
125.32681	2.8
126.17953	3.0
127.03912	18.5
129.01849	3.7
129.06973	3.1
131.04929	21.1
131.88222	3.4
133.02902	4.8
133.06505	20.6
135.08061	6.6
137.05983	100.0
141.07057	3.1
145.04980	7.8
145.06569	2.6
147.04422	17.0
149.06001	16.6
151.03955	3.0
151.07535	30.3
159.03036	6.7
159.04420	8.3
160.05200	4.0
161.05986	55.7
161.09627	14.9
162.06792	4.6
163.03918	5.3
163.07558	58.1
165.09111	10.6
167.07068	3.9
169.06638	2.8
173.05946	2.8
175.07529	14.4
176.04709	6.5
177.05476	8.8
177.09155	2.9
179.07047	7.1
181.08621	13.2
186.40767	3.0
187.07510	5.8
188.04662	4.1
189.03920	6.4
189.09142	32.8
191.07024	49.9
197.06082	5.3
201.09116	4.7
203.07042	31.3
205.08524	3.2
207.10173	69.5
215.07181	6.2
219.10156	4.5
229.08484	13.2
231.04918	4.6
231.10234	3.2
233.07997	16.8
249.11310	4.6
253.08640	3.7
257.08072	7.1
273.11227	12.0
275.09183	9.8
276.83920	3.3
285.11450	3.2
285.17001	6.9
287.12823	8.6
291.12241	8.7
293.10034	5.6
297.11282	4.9
303.05130	16.1
304.05359	11.3
311.12491	4.6
313.14148	6.2
315.12210	3.9
331.15393	39.1
343.15399	6.2
355.15399	4.6
363.27576	3.6
379.10291	13.9
395.13239	4.2
421.16492	4.6
439.17328	3.6
564.56274	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	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01859	9.8
55.05518	40.0
57.03422	11.5
57.07050	6.0
65.03922	4.4
67.05188	6.2
67.05509	80.2
69.03423	6.9
69.07080	31.1
71.05006	4.8
71.50530	3.9
79.05499	58.2
80.71255	3.3
81.03436	5.1
81.06600	4.6
81.07059	69.3
83.04968	8.3
83.08615	21.5
91.05485	37.3
91.12222	3.7
93.07050	53.8
95.04959	15.5
95.08614	48.5
97.02881	8.3
97.06541	8.8
97.10172	24.8
105.07033	28.3
107.04984	7.8
107.08602	32.9
108.95574	4.0
109.06504	4.9
109.10155	22.4
110.35121	3.2
111.08112	4.2
117.06989	14.7
119.08605	28.5
120.87086	3.4
121.06445	4.5
121.10154	18.6
123.08087	4.9
123.10339	3.6
123.11678	8.1
125.09659	18.2
128.66479	3.4
129.06998	7.1
131.08594	22.1
133.10120	16.8
135.08061	6.0
135.11653	11.8
137.09631	4.9
143.08536	11.0
145.10120	16.3
147.08098	8.1
147.11720	10.5
149.09637	5.2
149.13271	8.7
153.09134	6.1
157.10129	5.4
159.11726	15.3
161.09660	5.6
161.13274	8.0
165.09155	4.2
169.10057	4.7
171.11665	9.1
173.13260	8.3
183.11620	4.8
185.13220	5.9
189.11195	13.2
204.27560	3.6
223.13184	10.4
227.12770	15.1
249.14818	4.7
261.22217	13.3
273.18402	17.1
291.19553	100.0
335.25821	57.1
365.23230	26.1
365.27423	4.0
381.31598	6.9
514.93457	3.6
531.40106	6.4
545.37775	7.5
607.43140	6.6
625.44769	74.1
626.44788	5.8
643.45538	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	643.457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20617	2.2
50.31507	2.5
53.03941	7.2
55.01872	9.8
55.05518	37.3
57.03427	10.2
57.07060	4.7
65.03949	3.9
67.05511	70.9
69.03415	9.8
69.03745	2.4
69.07073	37.4
69.93244	2.6
70.68393	6.1
71.04990	3.4
71.08621	3.9
77.60404	3.0
79.05505	52.7
79.52019	2.4
79.72957	2.1
81.03405	6.2
81.07064	72.2
83.04980	6.2
83.08633	16.2
83.09043	2.3
91.05479	37.9
93.07052	50.7
95.04964	9.0
95.08615	43.3
95.09184	3.7
97.02876	4.7
97.06546	12.1
97.10162	23.9
99.08076	3.4
103.05512	4.5
105.07041	32.8
107.04982	6.0
107.08613	36.3
109.06518	8.2
109.10181	24.2
111.06939	2.6
111.08069	4.2
112.35360	2.5
117.07088	12.7
119.08604	24.8
121.06471	4.6
121.10159	19.5
123.08087	3.4
123.11723	10.4
125.09631	17.9
128.06223	2.4
129.07018	10.6
131.08560	21.6
133.10138	15.9
135.08066	6.3
135.11679	16.4
135.33319	2.5
137.09654	4.5
141.06911	2.7
143.08582	6.5
145.10130	19.2
147.08078	8.2
147.11687	12.0
149.09572	4.4
149.13293	8.1
155.08624	2.7
157.10136	6.2
159.11679	9.2
161.09608	3.8
161.13319	5.9
163.11150	5.4
165.09128	2.9
171.11740	5.1
173.13298	7.0
175.14874	3.3
181.10124	2.9
183.11737	3.0
185.13266	6.0
189.11243	9.2
199.14841	5.1
211.14908	3.9
223.13290	10.5
227.12801	11.0
253.22931	2.7
261.22186	10.8
267.16022	3.6
273.18588	13.5
291.19571	100.0
335.25867	38.1
338.27631	3.9
343.82727	2.6
347.22229	4.5
360.63330	2.5
365.23233	24.3
421.31616	3.0
527.36517	3.1
531.39630	5.6
545.38062	11.0
551.40747	5.2
607.43738	6.5
625.44647	61.7
643.45996	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	643.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11970	0.5
70.75646	1.3
77.80714	0.5
91.05482	0.6
95.08646	0.5
95.68227	0.5
112.93767	0.5
126.38588	0.5
147.11671	0.5
173.96982	0.6
324.43439	0.5
326.04263	0.6
511.33902	1.6
518.74493	0.5
599.38995	0.9
632.09467	0.6
643.38184	100.0
644.38733	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01875	9.8
55.05270	1.7
55.05517	19.0
57.03194	1.7
57.03440	19.9
57.07077	1.3
65.03931	5.5
65.04243	1.4
67.05512	60.8
69.03420	2.4
69.07073	13.7
69.56171	8.2
71.04988	4.2
79.05500	41.7
79.57920	1.2
81.03411	2.1
81.07061	47.7
83.04971	3.6
83.08630	6.7
85.06554	10.3
91.05485	31.2
93.07049	41.9
95.04977	45.8
95.08617	28.5
97.06545	6.3
97.10165	5.2
99.04509	1.6
105.04532	1.9
105.07042	27.4
107.04947	9.5
107.08606	25.8
109.06526	54.9
109.10177	9.6
111.04452	1.8
111.08090	3.2
113.06020	28.9
115.05496	1.4
116.06223	1.2
117.07035	16.0
119.08586	18.3
121.06512	5.5
121.10133	13.5
123.08064	5.8
123.11741	2.2
125.09640	3.5
125.92466	1.2
128.06198	3.5
129.07016	5.7
131.08591	16.4
133.06500	2.6
133.10143	11.8
135.08066	38.6
135.11705	9.1
137.09608	1.9
141.06992	2.7
142.07692	1.2
143.08560	9.4
145.06479	1.9
145.10110	12.4
147.08043	5.4
147.11700	5.0
149.09615	6.4
149.13264	5.7
155.08559	1.7
157.10118	6.2
159.08070	2.6
159.11697	8.1
161.09619	8.2
161.13303	2.3
163.11166	1.8
165.09120	1.3
168.02856	1.3
169.10176	1.2
171.11696	4.5
173.13246	4.1
175.11230	2.2
175.14816	1.4
177.12730	3.1
180.07730	1.3
181.10161	1.9
183.11707	2.6
185.13231	2.9
187.11156	1.2
187.14862	1.7
189.11230	1.8
189.16483	2.0
195.13759	1.2
199.14857	2.9
201.12695	2.3
213.12776	2.0
217.15903	13.1
223.13170	1.8
227.12804	2.8
227.18013	2.7
233.15340	1.6
237.16328	1.6
239.66655	1.2
245.18994	2.8
255.17389	3.2
261.22119	3.3
268.18515	1.4
273.18527	33.0
274.18692	1.6
291.19562	100.0
307.67014	1.2
335.25833	40.4
347.22110	5.8
365.23322	9.2
484.45627	1.6
509.88458	1.6
545.37787	1.7
607.43213	5.5
625.44757	28.8
641.68457	1.4
643.45361	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48325	0.4
54.68536	0.4
60.22347	0.4
62.36547	0.4
67.05469	0.5
69.38567	2.1
69.38988	1.1
93.06975	0.4
95.08565	0.6
111.41412	0.4
159.11345	0.5
200.69531	0.4
272.29434	0.4
359.97723	0.4
396.12238	1.5
397.12857	2.4
398.13715	1.1
409.13107	0.8
410.13751	3.5
411.14462	7.0
412.15445	3.4
413.16156	2.3
422.13409	0.5
423.14688	1.5
424.11221	1.4
424.15338	2.5
425.16226	14.0
426.16879	10.1
427.17340	2.3
428.18546	1.6
437.16190	1.3
438.12408	5.0
439.13504	13.2
439.18997	0.7
440.13275	0.9
440.19040	5.6
441.19351	34.4
442.19800	3.0
450.12793	0.5
451.14117	1.3
452.14423	5.7
453.15332	17.1
454.15915	4.7
455.17038	0.6
457.14905	0.7
458.15594	0.5
463.14188	1.2
465.15466	1.0
466.12091	0.8
466.17004	0.7
467.17230	27.5
468.17865	17.2
469.18842	12.8
470.18875	1.3
471.16531	0.6
472.16846	0.4
478.16364	0.5
481.14749	15.3
482.15353	5.1
485.18729	0.8
486.18912	0.7
495.16333	6.0
496.17035	32.9
497.17709	3.9
498.19022	0.9
499.19812	1.2
508.17300	1.0
509.18198	2.4
510.18900	1.2
512.20709	1.7
513.21436	0.5
514.23108	2.2
523.20062	1.5
524.19910	0.6
527.23566	2.6
528.19958	1.3
537.19281	0.9
540.20148	0.8
542.21490	0.6
551.19519	0.5
555.22479	29.1
556.22321	1.7
568.19513	1.1
583.21948	100.0
584.22223	7.7
587.25220	1.7
600.21735	0.7
611.21448	2.9
614.23450	1.1
615.24628	13.0
643.23859	84.9
644.24121	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29559	0.5
53.03904	0.6
54.69686	0.5
55.01845	0.9
55.05466	1.8
57.03406	0.7
57.75665	0.6
67.05502	4.3
69.07027	1.1
79.05492	4.0
81.03378	1.0
81.07062	3.8
83.04961	1.0
83.08573	0.6
87.24075	0.6
90.55082	0.5
91.05489	3.4
93.07044	3.4
95.04932	1.3
95.08526	1.7
97.06504	1.0
105.07046	3.2
106.43295	0.6
107.08548	2.1
108.39165	0.5
109.06461	0.7
109.10074	1.5
109.32504	0.5
117.06973	1.1
119.08598	2.6
121.10101	2.0
125.09573	0.7
131.08556	1.0
133.10120	1.3
135.08009	0.5
137.09572	0.5
145.10051	1.4
147.08015	0.8
147.11697	0.6
149.13176	0.6
157.10092	0.8
159.11713	0.7
173.13217	0.6
225.23184	0.6
273.18484	1.4
275.20303	0.6
291.19598	1.6
335.25861	1.6
365.23413	0.6
382.11774	0.6
396.11975	0.8
397.13040	1.5
409.13113	1.2
410.13760	3.3
411.14377	5.0
412.15231	3.1
413.16025	1.1
423.14746	1.7
424.11215	2.2
424.15494	1.9
425.16153	12.8
426.11566	0.5
426.16968	8.1
427.17319	1.8
428.18399	1.0
437.11887	0.8
438.12357	4.8
438.18243	0.8
439.13446	8.9
440.19095	4.4
441.19318	24.6
442.19769	3.5
452.14215	4.0
453.15143	13.6
454.15601	3.0
455.20926	0.8
463.14005	1.4
465.15863	0.7
466.16669	0.7
467.17236	21.4
468.17822	12.1
469.18909	10.3
470.19031	1.1
478.16068	1.3
481.14780	14.8
482.15176	5.7
483.15942	0.8
485.18289	1.0
486.19168	0.8
495.16290	5.6
496.17014	40.9
497.17609	4.3
498.18930	0.7
509.18210	2.1
512.20642	1.2
514.21979	1.6
523.20050	1.5
525.17914	0.7
527.23474	1.0
528.19690	1.3
537.19635	1.2
542.21863	0.9
545.38544	2.5
555.22467	25.3
556.22803	0.9
568.19086	1.4
573.23181	0.7
583.21918	100.0
584.22131	9.5
587.24890	0.9
593.27325	0.8
611.21234	1.8
615.24414	7.0
625.29321	1.2
625.44922	0.9
643.23645	62.7
643.45831	1.7
644.23541	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	643.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01867	0.7
55.59666	0.5
65.03947	3.2
67.05483	1.9
69.61532	0.8
69.61932	2.7
71.25619	0.6
71.58234	0.5
76.94729	0.6
78.04726	3.6
79.05482	2.2
79.67213	0.5
81.03413	0.8
81.07054	0.8
82.04208	1.1
85.02888	2.3
89.03914	0.6
91.05489	3.9
93.03393	1.5
93.07017	1.3
95.04963	1.9
97.06512	1.3
98.20861	1.0
103.05464	4.1
105.03386	0.8
105.04524	0.8
105.07014	1.2
106.04192	2.5
107.04956	4.3
110.03667	1.2
111.04411	0.6
115.05465	7.1
117.03346	1.2
117.07020	8.6
119.04954	0.7
121.06562	2.5
123.04445	8.8
124.05221	4.0
125.05979	1.1
127.05444	1.3
131.04913	2.1
133.06458	0.7
134.03682	1.0
135.04407	0.6
137.06026	3.1
138.03094	0.6
140.04704	1.1
142.02591	1.9
143.05032	0.8
145.02869	1.9
145.06490	11.4
147.04408	1.1
147.07988	0.8
148.05209	1.3
149.05988	3.1
151.03926	2.7
151.07527	0.7
152.04681	2.4
153.01843	0.8
153.05490	1.9
155.06047	6.8
159.04353	1.0
161.05997	1.9
163.03909	1.3
165.05467	0.8
167.07050	100.0
168.07404	0.6
171.06523	1.5
172.05283	0.5
173.05997	21.2
175.07550	1.3
177.05489	7.0
179.06938	0.8
181.04964	46.2
181.08488	1.1
189.05450	0.6
191.07048	3.5
192.07822	0.6
195.06551	0.7
195.08180	0.8
201.05406	0.5
203.07062	2.1
205.06812	0.8
205.08618	5.6
207.06511	0.6
209.08070	3.2
225.07507	0.6
231.06584	1.1
233.05927	1.0
233.08104	5.6
235.09666	7.1
263.07141	0.8
265.08597	0.8
280.42938	0.6
282.09119	0.5
287.05527	0.7
303.05054	0.9
310.08258	0.7
311.09348	0.7
325.10767	1.4
327.12085	0.7
357.13339	6.1
385.12842	37.0
386.13522	0.6
387.14331	5.4
399.14368	1.3
415.13928	0.8
417.15457	12.8
577.20691	0.8
643.23865	45.2
644.23828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
53.03925	1.2
55.01853	1.0
65.03941	3.3
67.05490	1.1
69.03422	0.6
69.41768	2.7
77.03951	0.6
78.04704	3.3
79.05479	1.7
82.04186	0.7
84.79774	0.5
85.02892	1.7
91.05494	3.2
93.03397	1.3
93.07026	1.3
95.04951	1.6
97.06525	0.9
98.21596	0.7
103.05459	3.5
105.03379	0.7
105.06976	0.5
106.04169	2.1
107.04960	4.4
110.03657	1.3
111.04476	0.6
115.05463	6.2
117.03404	0.8
117.06261	0.6
117.07026	8.3
119.04985	0.7
119.08610	0.9
121.02863	0.5
121.06503	2.6
122.03613	0.6
123.04443	8.1
124.05219	2.7
125.05976	1.1
127.05434	1.9
131.04958	2.2
131.08586	0.5
133.02869	0.5
133.06491	0.5
134.03630	1.2
135.04378	0.9
137.05948	2.0
138.03107	0.9
140.04675	0.9
142.02606	1.1
143.04967	0.7
145.02840	0.7
145.06490	13.4
147.04419	1.1
147.08044	1.0
148.05099	0.6
149.05994	3.8
151.03909	1.9
151.07527	0.5
152.04681	2.5
153.05490	2.4
155.04930	0.5
155.06050	5.5
159.04407	1.0
161.05956	1.1
163.03970	1.0
163.07527	0.7
165.05490	1.1
167.07047	100.0
168.07445	0.7
171.06561	1.7
173.05989	21.5
174.06538	0.4
175.07397	0.9
176.04593	0.5
177.05475	4.4
181.04965	44.4
184.18338	0.4
191.07091	1.5
201.05421	0.5
203.07028	2.1
205.08604	5.5
207.10104	0.5
209.08105	3.0
231.06508	1.0
233.05910	0.8
233.08098	7.1
235.09654	5.9
265.08679	0.5
283.09775	0.7
293.08023	0.7
295.06229	0.5
297.11386	0.9
310.08295	1.0
325.10764	0.5
327.08850	0.5
357.13382	6.2
385.12836	32.5
386.13498	1.0
387.14395	6.7
399.14804	0.5
411.14719	0.5
416.15439	0.6
417.15466	17.1
417.21133	0.8
418.15839	0.7
613.22736	0.8
643.23871	42.3
644.24390	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	34.0
57.03434	7.2
57.07082	6.0
58.93317	5.1
61.19386	6.7
67.05515	73.1
69.07082	29.8
71.05032	6.0
71.08621	6.1
71.50430	10.1
79.05491	38.0
81.03425	48.0
81.07059	72.2
82.07381	5.1
83.04968	7.7
83.08625	24.8
89.06033	10.9
90.69965	5.8
91.05474	36.5
93.07049	41.6
95.04976	23.5
95.08613	47.2
97.06541	9.1
97.10160	9.8
105.07062	23.6
107.08601	26.1
109.10155	31.7
116.21107	5.5
117.07023	7.0
119.08605	18.6
121.10160	15.0
123.08072	6.5
123.11736	4.9
129.06978	7.2
131.08568	11.6
133.10143	15.5
135.08043	7.2
135.11679	7.4
142.04855	4.9
145.10167	6.1
147.11687	14.1
149.09622	6.7
149.13234	10.1
161.13277	7.3
175.14859	6.1
193.12181	19.4
203.44556	5.3
255.23146	8.3
263.23657	6.6
267.15930	100.0
268.16309	5.3
291.19366	7.8
335.25958	11.0
336.26343	5.7
337.27371	94.9
445.87872	7.1
455.35284	6.4
529.38965	70.8
530.39282	28.7
547.39825	25.0
642.27448	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	642.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01870	3.3
55.05514	9.1
57.03446	3.3
61.02927	4.5
63.41586	1.5
66.58575	1.5
67.05512	22.0
69.07070	8.7
71.49965	2.5
75.07671	1.5
79.05501	14.0
81.03422	2.0
81.07067	19.2
83.04963	2.0
83.08635	4.5
85.02905	4.2
91.05491	21.5
93.07056	17.1
95.04959	3.0
95.08622	11.4
97.06543	3.9
97.10175	3.7
98.97572	1.5
99.08080	1.7
105.07052	20.8
107.08588	8.3
109.06504	3.6
109.10152	4.7
111.08121	1.7
117.07040	8.8
119.08607	18.1
121.06485	3.1
121.10141	6.4
129.07025	5.4
131.08612	19.2
133.06540	2.3
133.10123	9.5
135.08051	2.7
135.11752	2.1
140.92775	1.5
141.06972	2.9
143.08549	7.1
145.10110	13.2
147.08104	2.1
147.11696	3.6
149.09686	2.7
151.11172	1.7
155.08586	3.7
157.10156	3.8
159.11710	6.4
160.12198	1.5
161.09595	2.5
169.10155	2.9
171.11740	4.4
173.13297	2.0
175.11176	1.9
183.11812	3.5
195.11740	2.0
197.13298	2.4
197.32056	1.8
208.62865	1.5
209.13275	1.9
211.14809	3.0
275.20129	1.9
276.20554	2.7
343.26242	1.8
353.24771	5.7
360.98822	1.9
371.25851	4.4
389.26898	5.3
445.29544	100.0
446.29755	2.6
463.30682	21.9
472.45990	1.7
544.37152	2.1
642.30237	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	642.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01874	1.9
55.05526	9.8
57.03428	2.2
61.02929	2.8
61.10889	1.1
65.03934	2.1
67.05511	18.3
69.07066	5.6
69.36856	9.5
77.21065	1.1
79.05488	14.7
80.64810	1.0
81.03430	1.8
81.07063	19.8
81.93809	1.2
83.02734	1.1
83.04971	1.8
83.08624	4.3
85.02924	2.3
91.05486	20.6
93.07057	16.9
95.04974	1.8
95.08611	11.6
97.06528	3.1
97.10184	2.4
105.07030	22.0
107.04957	2.9
107.08610	10.5
109.06539	2.3
109.10159	5.7
111.08098	2.4
117.07024	11.3
119.08591	15.8
121.06506	1.9
121.10128	6.6
124.34407	1.0
125.09653	1.3
129.07001	6.6
131.08575	16.5
133.10106	7.9
135.08086	2.2
135.11716	4.7
137.09639	1.8
141.07025	2.7
143.08589	7.8
145.10126	13.3
147.08061	2.6
147.11722	2.6
149.09586	2.2
155.08586	3.7
157.10156	6.3
159.11697	6.0
163.11139	1.4
167.08626	1.4
169.10204	3.7
171.11673	4.3
173.13263	2.8
181.10162	2.4
183.11758	3.2
185.13329	2.8
187.14795	2.7
196.10846	1.2
197.13306	2.1
198.16286	1.2
199.14853	1.8
201.12630	1.4
209.13396	1.6
211.14917	1.6
213.16507	1.6
215.18033	1.7
223.14839	2.1
247.16960	1.6
253.34109	1.3
275.20078	1.6
276.20639	1.3
353.24789	5.3
371.25952	5.9
389.26810	6.6
434.20541	1.6
445.29510	100.0
446.29791	1.5
462.19699	2.6
463.20984	1.6
463.30551	31.7
476.21216	1.3
566.67700	1.4
582.27686	8.4
601.28448	9.1
642.29590	22.4
642.40753	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	641.2971
Annotation	Moluccensin F
Peak:m/z	Relative Intensity
52.81383	1.3
55.01862	1.2
55.05513	2.5
67.05515	5.5
69.07055	3.2
71.04997	1.0
71.50593	2.0
79.05508	7.5
81.03413	1.5
81.07063	9.9
83.02683	1.0
83.04993	1.9
83.08626	1.2
90.84293	1.0
91.05495	5.3
93.07053	5.6
95.04973	2.1
95.08595	4.8
97.06522	2.7
97.10155	1.2
105.07053	5.3
107.04971	2.1
107.08596	3.9
109.10134	2.4
117.06992	1.9
119.08549	4.2
121.10130	1.9
129.06985	2.0
131.08566	3.1
133.10159	2.6
135.11671	1.2
143.08514	1.5
145.10126	2.5
147.11694	1.9
157.10175	1.3
161.09698	1.5
173.13304	1.2
197.10770	1.2
210.11597	1.2
211.12317	1.8
212.09433	1.1
224.13177	1.9
225.13846	4.2
237.13812	1.8
238.14673	1.5
239.11781	1.5
239.15491	2.6
245.70285	1.0
250.45589	1.3
261.13818	1.2
267.14774	1.4
275.20126	4.3
289.18292	1.7
290.16357	1.6
292.17960	1.7
299.11502	1.3
300.14944	1.5
304.14444	1.4
304.18011	2.4
305.18704	1.6
313.15750	1.7
318.16022	1.3
319.17068	1.4
331.17300	1.4
332.17667	2.4
334.19186	1.8
335.25620	1.2
346.19153	1.1
349.23792	1.9
369.15030	1.4
371.32858	1.1
375.19818	1.3
378.18646	1.1
384.17084	3.1
391.18982	2.1
392.19693	2.8
393.20831	2.6
405.20975	2.1
406.21213	4.7
407.22296	5.8
411.15628	1.3
412.16687	2.1
415.19485	1.6
416.20648	1.3
417.21140	1.2
418.21432	2.4
419.22360	2.6
420.22659	3.5
421.23911	6.6
422.24420	11.1
426.17896	1.2
431.22864	1.7
433.24106	2.4
434.18127	1.9
434.24350	8.2
435.21579	1.4
444.18842	6.5
448.19647	2.2
458.20337	1.5
459.21829	1.8
460.76340	1.1
462.20349	3.1
463.21301	10.3
475.21219	4.6
476.21188	3.2
477.22903	4.5
480.23743	1.3
487.24954	2.7
491.24524	2.5
495.16595	6.7
495.27530	2.8
508.22446	2.9
520.92853	1.2
523.26520	1.7
534.22827	1.6
543.36719	1.7
545.25500	8.7
547.26892	8.5
549.25104	18.1
550.25763	5.5
563.26526	6.9
564.26904	1.3
565.27777	1.6
576.23413	1.9
577.25763	1.3
579.29742	2.8
581.27405	2.6
591.26044	52.9
592.26385	1.5
605.27863	7.8
609.27130	18.7
623.28680	100.0
624.28699	4.4
641.29724	16.5
641.39099	4.6
641.44916	1.8
642.23114	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	641.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73309	1.2
53.03947	2.6
55.01869	2.9
55.05508	4.4
57.03446	1.8
58.09704	1.3
67.05509	12.9
69.07079	4.2
71.50234	2.5
79.05501	10.8
81.03422	1.9
81.07066	11.9
83.08611	2.2
91.05479	9.2
93.07035	8.9
95.04977	2.3
95.08628	7.3
95.09138	1.5
97.06512	3.9
97.10221	1.7
105.07033	8.2
107.04958	1.5
107.08591	8.0
109.06477	2.0
109.10148	3.6
117.07069	3.6
119.08604	5.6
121.06528	1.9
121.10158	2.4
123.11701	2.0
128.79245	1.4
131.08554	2.5
133.10144	4.2
135.11693	2.5
143.08551	2.8
145.10129	3.8
147.11731	1.7
149.09717	1.9
159.11737	2.6
161.13295	1.9
173.13298	2.9
185.10716	1.8
197.10841	2.4
208.11270	1.6
210.11523	1.7
211.12199	1.5
223.12212	1.8
224.13048	2.5
225.13841	4.7
237.13896	2.7
238.14807	2.0
239.15450	3.4
267.14963	2.1
275.14938	1.4
275.20068	6.7
277.12314	1.7
277.15903	1.4
290.16635	2.2
292.18088	2.0
302.16681	1.4
304.18140	2.5
307.10712	1.6
313.15417	3.0
316.14612	1.9
318.16156	1.9
319.16861	2.6
332.17682	2.6
335.25513	1.8
344.17642	2.2
346.19296	1.7
349.23865	1.9
384.17004	3.5
392.19751	4.9
393.20639	2.4
404.58563	1.5
405.20975	3.1
406.21353	5.6
407.22308	7.5
408.23178	2.0
412.16321	3.8
417.20844	2.9
419.22385	3.3
420.22861	2.2
421.23984	8.6
422.24313	10.8
424.15347	2.8
431.18173	1.9
433.24136	3.5
434.18143	1.6
434.24313	7.2
435.21857	2.2
438.12503	1.8
444.19150	4.4
449.23691	2.1
459.21408	2.8
461.19669	2.5
462.20282	3.3
463.21399	11.8
467.17163	3.5
473.23361	3.7
474.60074	1.6
475.21127	5.7
476.20700	3.2
477.22702	6.3
487.24628	3.4
489.22858	3.2
491.24182	4.7
494.26663	4.0
495.16733	23.3
495.27826	2.4
508.22098	2.0
527.18597	1.5
535.23468	2.0
545.25439	10.9
547.26843	9.8
549.25104	20.4
550.25403	4.8
561.21393	2.8
563.26477	9.0
576.23395	1.9
579.29370	3.9
581.27332	2.0
591.16650	2.4
591.26093	49.6
605.27612	7.5
609.27130	21.8
623.28693	100.0
623.43939	3.8
624.28650	3.8
641.29810	22.1
641.39160	2.6
641.44940	2.8
642.23242	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	641.2975
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.01891	1.0
55.05513	2.2
57.03436	1.1
67.05517	5.6
69.07057	1.9
79.05491	4.2
81.07052	3.9
91.05483	3.7
92.19685	0.8
93.07053	4.2
95.04993	1.8
95.08611	2.3
97.06519	1.2
98.20744	2.6
105.07026	3.7
107.04922	0.8
107.08605	2.6
109.06508	1.3
109.10160	2.5
117.07001	1.6
119.08572	2.6
121.10129	1.0
129.07079	0.9
131.36919	0.8
133.10159	1.7
135.08093	1.0
135.11685	1.9
145.10147	1.5
147.11729	1.0
149.09605	0.8
157.10167	1.0
171.11888	0.8
191.32988	0.7
210.11613	1.1
225.13818	1.3
237.13956	1.1
239.15367	1.0
249.10228	0.8
275.20044	1.8
281.13052	1.1
289.17957	1.1
313.15717	1.4
332.17548	1.1
334.19116	1.3
354.12408	0.9
360.16721	0.9
377.18280	0.9
384.17041	3.1
392.19650	1.5
393.20514	1.7
402.18488	1.0
403.19122	2.1
404.19968	2.1
405.20883	1.3
406.21271	3.6
407.22266	5.4
412.16501	1.7
413.18027	1.1
415.19150	2.1
416.20105	1.6
417.20798	3.3
418.21722	1.6
419.22073	3.4
420.22937	2.3
421.23657	3.2
422.24542	5.4
426.16983	0.9
428.19641	1.1
429.21024	1.8
430.21597	2.5
431.22415	2.6
432.23145	1.1
433.24152	6.0
434.24542	4.6
435.21494	1.8
443.22897	1.6
444.18832	3.9
445.24454	2.0
446.24966	0.9
449.23349	1.4
459.21463	3.2
460.22379	3.3
461.19925	1.9
462.20538	3.1
463.21585	4.0
472.22824	0.9
473.23611	4.1
474.24136	2.3
475.21384	5.9
476.21713	2.2
477.23093	12.3
485.23639	1.4
487.25082	5.4
489.22855	1.9
491.24530	4.4
503.24194	1.3
505.25772	2.7
506.27014	2.5
515.24310	2.2
518.23157	1.3
519.27563	2.1
532.24249	1.4
535.23291	3.2
545.25446	7.6
546.25720	1.3
547.27136	15.7
549.24921	11.4
550.25873	16.3
563.26270	5.5
564.27228	1.6
577.28131	1.7
579.29736	7.4
581.27332	2.3
591.25977	12.7
605.27661	18.5
606.27112	1.2
609.26917	10.3
623.28662	100.0
624.28845	3.6
641.29413	10.6
641.43793	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	641.2974
Annotation	Crooksiine
Peak:m/z	Relative Intensity
54.38942	0.4
55.05519	0.7
59.22720	0.5
62.16218	0.5
67.05476	0.8
67.42412	0.4
70.31632	0.7
70.31990	1.4
79.05493	1.3
79.86475	0.4
81.07053	1.6
91.05479	0.8
93.07073	0.8
95.08615	0.9
105.07053	0.8
107.08612	0.7
114.28754	0.4
117.07048	0.6
119.08603	0.7
124.98138	0.4
129.14206	0.4
133.10109	0.7
159.11668	0.7
178.21893	0.5
182.76093	0.5
210.70004	0.5
211.07489	0.5
300.11874	0.5
377.18109	0.7
379.19641	0.7
391.19370	1.2
392.20126	0.9
393.20959	2.3
405.17215	2.0
406.17126	1.1
406.21869	0.9
407.17761	0.7
407.22739	4.2
408.23294	0.6
418.17877	0.8
419.18115	2.1
419.23288	0.9
420.19458	1.4
421.20261	4.1
423.22095	0.8
432.19992	0.7
433.20499	5.4
434.21136	3.8
435.21939	6.6
436.22620	1.2
447.17215	0.7
447.22247	1.6
448.22971	1.0
449.19476	9.0
461.19232	2.1
462.20856	1.8
463.21429	4.5
464.22244	1.9
467.24506	2.0
476.22110	1.2
477.22919	1.7
479.20798	1.0
481.22485	1.3
493.22223	2.7
494.22974	3.9
495.23740	4.5
507.24347	3.0
509.24884	0.7
521.25970	5.8
535.23407	3.0
539.22943	0.6
548.24146	1.2
549.25281	1.0
553.28473	1.1
563.26501	2.2
567.25916	1.0
581.27643	32.3
582.27905	1.1
595.25580	2.2
609.27075	1.2
623.28119	1.9
641.29724	100.0
642.29987	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	641.2973
Annotation	Crooksiine
Peak:m/z	Relative Intensity
60.48644	0.5
61.08803	0.4
69.25323	2.8
81.07029	0.6
130.39374	0.4
222.19438	0.4
320.01480	0.5
363.16437	0.7
377.17545	0.9
378.18307	0.5
379.19388	1.4
391.19467	1.3
393.20972	2.8
394.21594	0.6
405.16644	2.7
406.17664	1.2
407.17899	1.0
407.19446	0.8
407.22845	4.8
408.23203	0.8
419.18439	3.1
420.19037	2.6
421.20380	5.7
422.21017	0.5
423.21896	1.4
433.20453	5.2
434.21259	4.4
435.22055	6.9
436.22583	1.3
446.21277	0.5
447.22009	1.3
448.23566	0.5
449.19525	8.6
450.20154	0.5
461.23804	0.6
463.21265	3.7
464.22311	1.9
465.18912	0.6
467.24518	0.5
479.20322	1.1
481.22647	1.7
493.22543	1.7
494.22974	3.3
495.23724	2.9
507.24323	2.1
509.25507	0.7
517.63855	0.4
521.25763	10.4
523.27356	0.9
535.23621	0.8
539.23462	1.7
549.25189	1.2
553.27094	0.5
563.26935	1.0
581.27679	19.1
582.27875	0.8
641.29730	100.0
642.29785	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	641.2971
Annotation	Crooksiine
Peak:m/z	Relative Intensity
54.26676	0.4
58.48792	0.4
65.82648	0.3
66.29983	0.3
67.05532	0.4
68.56602	0.3
69.85718	0.7
69.86126	1.5
79.05502	0.7
81.07058	0.7
83.59210	0.3
95.08597	0.7
98.21433	0.6
105.07014	0.4
107.08623	0.5
107.44200	0.3
120.08075	0.4
133.10185	0.4
146.28304	0.4
203.35742	0.4
225.10222	0.4
227.11812	0.6
237.10471	0.4
239.11972	0.8
253.13646	0.5
253.48187	0.4
264.81342	0.3
275.20178	0.4
314.12906	0.6
316.14389	0.5
342.65625	0.4
390.18317	0.8
391.19193	1.1
392.19940	1.1
403.19543	0.6
404.16000	1.1
404.20862	0.6
405.20911	1.3
406.21884	1.0
407.14319	0.4
407.22470	0.5
409.20502	0.6
418.17990	1.7
419.18402	1.9
422.24368	0.5
432.19577	1.4
433.20203	3.3
434.21216	2.1
435.21838	1.3
437.19925	0.5
446.21582	0.6
447.17377	0.8
447.22067	1.6
448.22614	1.3
449.23373	1.7
451.21555	0.5
460.23331	0.5
461.19479	8.4
462.20435	4.0
463.21207	1.0
465.18686	1.8
467.24472	1.8
475.21326	1.3
476.22131	2.2
477.23007	3.2
479.21075	1.5
480.21735	1.0
489.22998	1.2
493.22275	1.5
494.23120	3.4
495.23965	1.2
505.21875	0.5
507.24014	1.4
520.24286	0.5
521.22321	1.5
534.25696	0.5
535.26776	1.4
536.23859	0.4
539.23126	0.5
548.24286	2.8
549.24927	1.8
553.28345	1.4
563.26624	5.6
564.26593	0.7
576.23224	0.5
581.27667	11.0
593.23431	0.6
608.26324	2.0
609.26715	0.8
613.90448	0.4
623.28522	4.0
641.29700	100.0
642.29932	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01851	1.8
55.05519	3.5
57.03411	1.8
61.02911	1.0
65.03948	6.8
66.04710	0.7
67.05502	8.0
69.03431	4.7
69.07073	3.4
69.19137	2.2
69.19557	3.8
71.04974	1.0
73.02930	0.6
75.71925	0.6
77.03930	0.8
78.04694	1.8
79.05495	5.8
81.03005	0.9
81.03420	10.2
81.07062	8.9
82.03726	1.1
82.04183	1.9
83.04963	2.4
83.08599	2.4
85.02904	9.5
85.06524	1.0
86.11532	0.7
91.05482	9.6
92.05750	0.6
92.06263	0.9
93.03395	1.1
93.07015	2.4
95.04964	4.8
95.08607	4.3
97.02920	3.0
97.06532	2.9
97.10179	0.8
98.20741	1.3
99.00809	2.3
99.04430	1.7
100.95853	0.6
103.05470	3.2
103.78111	0.6
105.07037	2.8
106.04138	1.4
107.04967	7.6
107.08606	2.0
108.02097	1.5
109.02858	2.4
109.06500	1.7
109.10146	2.8
110.03647	2.6
111.04399	2.2
111.08064	0.8
115.05462	9.6
117.07018	11.3
118.04173	0.7
119.04947	1.6
119.08563	2.3
120.05712	2.0
121.02879	0.8
121.06481	1.0
121.10143	1.4
123.00775	0.8
123.04442	6.4
123.08055	0.9
123.11688	1.7
124.05194	2.0
125.05966	2.4
127.03899	2.3
127.05415	1.8
128.06108	0.6
129.07024	1.5
131.04938	3.0
131.08560	1.1
132.05714	0.7
133.02852	0.8
133.06491	1.8
133.10095	1.5
134.81989	0.6
135.04385	2.3
135.08038	0.8
136.31349	0.6
137.05988	7.6
138.03117	1.7
139.03896	0.9
139.07443	0.6
140.04710	0.6
141.06970	0.6
142.02617	2.3
143.04901	2.1
144.05681	0.9
145.06491	15.6
145.10138	0.7
147.04391	2.7
147.08023	1.6
147.11688	1.5
148.05223	4.2
149.06021	1.3
149.09631	0.9
151.03880	1.4
151.07515	3.1
152.04655	1.8
153.05486	4.6
153.79631	0.6
155.04958	0.7
155.06047	7.3
157.06511	0.6
157.10150	1.0
159.04384	1.2
160.05191	1.6
161.06006	2.0
163.03899	1.0
163.07515	1.1
163.11176	0.7
165.05486	7.8
167.07047	61.0
168.07587	0.7
171.04282	1.1
171.06622	3.8
171.07974	1.1
173.05992	23.4
175.03880	0.7
175.07558	3.6
175.11171	0.7
176.04590	0.6
177.05489	2.3
180.04202	1.1
181.04962	100.0
182.05304	0.8
183.06612	1.2
185.06114	0.6
188.04578	0.7
189.05450	1.2
189.09120	3.2
190.06218	1.4
191.07066	3.9
193.08528	1.0
193.12233	2.6
194.12659	1.8
195.06532	8.9
195.10168	1.8
197.08043	0.9
201.05473	3.6
202.06216	0.8
203.07095	3.9
205.04878	1.1
205.08607	7.1
207.06503	1.3
208.07167	0.6
209.08054	3.3
211.13333	3.4
212.13741	1.9
213.13918	0.7
217.08540	1.4
217.12331	0.6
219.06477	4.5
220.07266	4.3
221.08078	0.9
223.09569	3.5
225.07544	4.3
231.06552	2.3
233.08090	9.7
234.08897	3.3
235.09642	7.7
237.11159	4.0
249.11208	2.4
251.12779	1.4
263.12830	1.1
264.07639	0.7
265.08701	1.0
268.16248	1.3
277.08682	0.7
291.10266	0.7
297.11334	0.8
307.18933	0.9
310.08685	0.9
319.19025	0.9
323.36667	0.6
325.10748	1.3
353.10410	0.9
355.11310	1.4
357.13391	6.4
359.11353	1.0
385.12823	32.4
386.13599	3.5
387.14410	3.4
398.13602	1.7
415.13675	3.0
416.14725	12.6
416.20258	0.9
417.15433	15.3
443.31699	0.8
461.32709	31.8
479.23724	1.0
479.33810	14.7
497.29962	0.8
611.21576	3.3
623.37262	0.9
640.32751	0.8
641.22321	48.4
641.32025	2.4
641.38959	2.1
642.22699	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
54.99188	0.4
55.01883	0.4
55.62531	0.3
63.02373	0.6
64.37968	0.3
68.99789	0.8
69.03426	1.6
71.49884	0.5
78.04730	0.3
79.05509	0.3
80.32025	0.3
81.03426	5.0
81.07045	0.3
83.04958	0.5
85.02908	1.2
89.03916	7.3
89.04429	0.6
91.05512	0.7
95.04974	0.4
97.02882	0.4
99.04455	0.5
103.05526	0.4
106.04166	0.4
107.08598	0.4
109.02891	1.6
111.00820	0.5
117.03389	19.8
119.04956	0.6
119.08570	0.3
121.02898	0.7
121.06568	0.4
123.04446	0.4
124.75680	0.4
127.03889	1.9
134.03609	1.8
135.04427	1.2
137.02357	5.4
137.03378	0.4
137.05963	1.1
141.10590	0.3
144.16861	0.3
145.02853	47.3
147.04468	0.5
149.02390	0.7
149.04825	0.5
149.05991	7.3
153.01834	2.4
161.06012	0.5
163.03934	2.1
165.01880	1.1
167.31712	0.4
177.05479	100.0
178.05840	0.9
183.02919	0.4
186.05461	0.6
195.06523	1.0
201.05476	0.8
205.04814	0.7
229.05026	3.2
245.60069	0.4
257.04483	1.5
274.04614	0.8
285.03989	0.7
287.05505	0.7
303.05011	53.3
304.05432	1.1
321.09656	6.1
339.10764	2.8
427.35587	0.4
479.17227	0.5
641.24628	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1508
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
53.02353	0.3
53.03945	0.4
55.01882	0.5
63.02353	0.3
67.05503	0.5
68.34537	0.4
69.03422	0.7
69.84315	1.1
69.84727	0.6
78.04695	0.4
81.03432	0.8
81.07044	0.5
85.02911	0.7
87.62640	0.3
89.03930	7.1
91.05488	1.0
93.07043	0.5
95.08553	0.4
97.02883	0.4
103.05456	0.4
106.04163	0.5
109.02886	0.5
109.06540	0.3
109.10132	0.4
111.00758	0.5
117.03394	23.5
117.07046	0.4
119.04955	0.4
121.02858	0.4
127.03995	0.4
134.03644	1.2
135.04437	1.2
137.02359	2.7
137.05978	1.4
143.79279	0.4
145.02863	57.3
147.04375	0.7
149.06003	7.5
151.03917	0.8
153.01848	2.9
161.05989	0.8
163.03912	1.0
165.01871	1.2
167.07094	0.6
177.05492	100.0
178.05876	0.9
181.05032	0.6
186.05563	0.7
195.06549	0.6
201.05478	1.1
205.05147	0.4
229.04991	2.9
229.49648	0.3
257.04404	2.1
261.07626	0.5
274.04691	0.8
285.03952	0.9
303.05029	54.2
304.05319	0.8
306.76187	0.3
321.09628	1.0
339.10754	7.1
345.06201	0.4
380.42654	0.4
461.42862	0.4
479.16910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88261	1.5
55.01854	3.1
55.05512	24.8
57.03434	6.0
57.07085	13.4
64.38441	1.7
67.05511	21.2
67.46513	1.6
69.03412	2.0
69.07077	10.9
71.04984	2.0
71.08624	9.8
71.50787	3.1
71.54202	1.5
79.05501	20.2
81.07062	20.5
83.04979	3.7
83.08620	14.4
85.10177	5.4
91.05471	9.7
93.07031	11.7
95.04955	2.1
95.08625	12.9
97.10173	29.7
105.07043	10.4
107.08604	29.7
109.10157	8.7
111.07995	1.7
112.99855	1.5
117.07049	4.2
119.08584	6.9
121.10133	3.2
123.11758	2.5
125.09637	23.4
131.08598	3.5
133.10143	5.9
135.08061	2.1
135.11725	3.1
145.10126	7.7
147.11665	4.4
157.10072	1.5
159.11726	3.3
171.10197	3.5
171.11659	1.7
189.11217	15.2
197.13385	1.7
219.17249	1.9
227.12788	100.0
229.19441	2.0
239.17924	2.9
257.19006	8.0
275.20099	26.5
275.22876	2.5
313.27399	36.1
331.22748	3.0
349.23734	23.6
483.36679	6.2
529.39911	2.1
587.46936	21.2
659.16309	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
53.79449	4.2
55.01848	4.3
55.05520	25.6
57.03426	17.5
57.07078	46.5
60.15180	3.7
60.52520	3.9
67.05508	68.0
69.07072	28.5
71.04993	4.6
71.08632	27.1
79.05501	38.1
81.03401	6.8
81.07059	70.9
83.04971	6.2
83.08621	23.2
85.10182	16.4
89.06026	7.6
91.05483	40.3
93.07048	41.9
95.04984	7.2
95.08617	54.7
97.06503	6.3
97.10152	8.9
97.95931	3.6
98.21624	8.6
105.07027	26.7
107.08593	26.0
109.06487	6.6
109.10156	17.4
117.06993	12.7
119.08598	23.9
121.10120	14.1
123.08079	5.8
123.11703	8.3
129.07014	6.7
130.07732	4.6
131.08568	13.3
133.10123	15.0
135.11673	8.8
143.08525	6.1
145.10155	8.3
147.11684	9.8
149.09613	8.9
149.13281	8.9
157.10121	4.9
159.11644	5.6
177.12848	5.6
187.14890	4.6
195.14110	4.5
200.45253	3.7
239.23642	5.5
254.52795	4.2
255.15952	12.0
257.19131	5.5
269.17535	25.2
275.20029	25.0
309.20514	4.6
313.27365	100.0
349.23615	19.1
355.25137	4.1
371.87036	4.4
459.21906	4.8
493.39026	20.1
494.18411	6.5
507.40506	72.4
538.21350	3.9
545.24677	5.4
547.43445	9.2
575.46741	4.7
581.22913	10.6
587.46289	10.1
605.47400	4.4
641.25073	46.6
648.88501	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	640.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
54.57544	1.9
55.05516	12.1
57.03442	13.3
67.05508	39.7
69.03413	2.6
69.07071	13.4
71.04984	2.2
71.50668	2.4
79.05507	26.0
81.03424	51.3
81.07056	34.4
83.08633	18.1
90.00771	2.4
91.05478	21.5
93.07047	34.8
93.07584	3.9
95.04966	17.5
95.08606	25.5
97.06525	4.3
97.10178	5.4
105.07034	18.1
107.04959	3.8
107.08595	17.4
109.06554	2.8
109.10157	13.1
111.08087	5.4
115.05476	2.9
117.07043	3.4
117.36231	2.3
119.08604	16.2
121.06514	3.8
121.10144	16.0
123.08080	2.8
123.11684	5.2
125.09719	3.2
129.07022	6.1
131.08562	11.7
133.06516	2.7
133.10168	12.2
135.11678	11.0
145.10110	7.8
147.11687	9.1
149.09628	6.2
149.13264	6.8
157.10138	8.6
159.11690	6.9
163.14824	3.0
168.49451	2.6
171.20821	2.5
173.13322	4.3
175.11203	7.4
175.14900	2.5
183.00819	2.4
187.14828	2.2
193.12271	17.2
220.67078	2.5
227.12831	4.5
243.21100	3.6
249.15048	2.2
261.22116	17.5
267.15909	100.0
268.16235	2.7
277.22342	2.1
301.25165	3.4
305.02222	2.4
317.24658	4.3
335.25790	66.1
352.55902	2.5
425.33704	2.2
435.32617	3.1
453.34061	4.8
527.37354	41.5
529.38428	3.4
545.38544	14.4
590.43890	4.6
640.40973	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	640.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01870	1.9
56.97063	0.4
59.16086	0.4
69.03418	2.4
70.06629	0.5
70.61864	0.4
71.49133	0.6
76.43169	0.4
77.03947	0.5
79.05476	0.6
81.03403	2.7
83.04991	0.5
85.02913	6.9
87.00840	2.6
95.04984	0.7
97.02894	2.8
99.04469	1.4
103.05475	34.1
105.01856	1.3
107.04945	0.7
109.02892	2.5
115.05454	0.8
117.07024	0.9
121.06576	0.5
125.06001	1.1
125.91125	0.5
127.03934	4.6
131.04938	100.0
132.05225	0.8
134.46004	0.4
135.04449	0.9
135.62537	0.4
137.05969	3.7
145.04924	2.7
145.06485	1.4
149.06038	0.7
153.05502	2.3
159.02881	1.8
159.04375	0.6
160.05205	0.7
163.07553	56.7
175.06152	0.5
175.07567	2.5
176.04674	0.6
177.05434	0.7
177.09116	0.8
187.11397	0.5
191.07043	5.6
195.06677	0.5
201.06572	0.6
203.07054	14.8
203.08789	0.5
205.08585	1.7
221.08090	2.7
231.05048	1.4
233.08084	3.4
330.79492	0.4
339.12161	0.6
357.13422	2.8
474.07886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.3
54.93293	0.3
55.05509	2.3
56.05034	0.2
57.07073	0.9
58.06602	6.1
67.05507	0.4
67.82259	0.2
69.07069	0.5
70.06585	0.8
72.08159	11.7
73.06557	2.2
74.11671	0.2
74.86325	0.2
79.05488	0.3
81.03438	0.3
81.07072	0.5
83.04987	1.3
84.08147	0.8
85.08936	0.4
85.21334	0.2
86.09711	20.9
93.07052	0.3
95.08616	0.3
98.06019	0.5
98.09728	0.3
98.21539	0.5
100.11261	100.0
101.06029	2.2
101.11607	0.6
105.07049	0.3
107.08638	0.3
119.08618	0.3
128.10727	0.4
132.10245	0.3
140.14363	3.1
143.08247	0.4
146.11769	2.3
147.39302	0.2
154.12311	1.5
154.15939	0.7
172.13318	2.3
172.14525	0.2
177.88504	0.2
182.11781	0.4
194.10333	0.2
197.95067	0.2
198.33554	0.3
200.12909	0.6
200.16452	1.3
202.04094	0.2
211.14507	0.7
214.14496	1.1
228.15961	6.6
228.89061	0.2
285.21729	6.6
299.23291	7.8
309.21686	0.3
313.21262	0.7
327.22791	13.5
367.26086	0.7
395.25308	1.3
412.31964	0.4
427.28027	0.5
440.31107	2.6
458.32336	4.8
458.38751	0.3
484.33972	0.8
512.33197	0.3
526.35168	0.6
527.37494	0.7
540.36377	0.7
611.43793	28.9
612.44006	1.2
639.43329	7.6
640.43860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85365	1.1
52.13989	1.1
53.03954	8.7
53.44664	1.1
55.01873	6.2
55.05279	1.2
55.05519	16.8
57.03446	10.2
62.95970	1.2
65.03945	1.7
66.20089	0.9
67.05148	1.2
67.05511	22.8
69.03431	11.8
69.07085	6.8
69.15828	11.7
71.04990	7.5
79.05501	25.0
81.03425	100.0
81.07060	30.7
82.03778	1.2
83.04997	21.5
83.08627	22.8
85.02920	21.5
85.06535	1.9
91.05491	32.0
92.64984	1.0
93.07053	18.8
95.04975	28.7
95.08614	10.9
97.02903	17.4
97.06541	6.4
97.10169	4.5
99.04464	3.8
99.08105	1.8
103.05446	1.9
105.04565	1.5
105.07037	27.7
107.04946	9.6
107.08593	8.8
107.10799	1.2
109.02879	16.3
109.06532	4.8
109.10187	5.1
111.04437	11.3
111.08086	12.0
112.27287	1.2
113.06022	2.1
115.05437	1.8
117.07042	4.1
119.04983	1.7
119.08590	20.7
121.06510	2.9
121.10180	11.6
123.04456	2.1
123.08109	2.1
123.11718	3.2
125.09667	3.2
127.03902	9.1
129.05534	2.7
129.07011	14.3
131.04936	1.6
131.08577	12.7
133.06535	2.5
133.10123	9.6
135.08081	3.5
135.11714	4.2
137.06007	3.1
137.09624	1.9
142.07796	2.8
145.06549	1.5
145.10175	3.9
147.04419	1.4
147.08093	4.7
147.11694	18.2
149.05992	1.5
149.09624	6.4
153.12766	3.2
157.10121	15.0
157.11319	1.3
159.08109	1.2
163.11208	3.4
165.12779	7.9
167.07077	1.1
171.11742	1.6
175.11194	12.9
177.05495	1.8
181.12279	3.4
189.05400	1.9
189.11256	2.1
190.55919	1.1
191.10738	3.7
193.12256	46.3
194.12605	1.3
211.13304	79.4
227.12852	5.3
229.14403	1.5
235.13329	1.5
249.14993	1.5
265.14441	1.3
267.15897	19.6
273.14865	1.8
277.14395	1.3
283.15524	2.8
285.16989	14.2
301.14380	3.8
309.16995	2.3
319.15485	3.2
334.26157	1.2
337.16608	4.3
355.17642	7.6
367.22897	2.0
385.23877	4.5
393.19150	2.1
403.24902	2.5
411.20453	6.8
429.21075	3.0
459.27173	7.1
477.28418	10.1
495.29495	14.5
538.75635	1.2
603.31769	3.1
621.32605	10.6
639.23688	4.7
639.33789	49.9
640.34949	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36947	0.9
53.03954	7.4
55.01875	5.3
55.05276	1.4
55.05517	20.2
57.03444	9.7
64.66070	0.7
65.03934	1.9
67.05512	26.0
68.81396	0.8
69.03435	14.3
69.07079	7.8
69.33765	6.6
69.57520	0.7
71.01350	1.4
71.04996	6.7
73.02921	0.8
79.05499	24.8
81.03423	100.0
81.07060	30.1
81.79550	0.8
83.04987	19.0
83.08627	20.7
85.02905	22.3
85.03384	1.7
85.06550	1.0
91.05489	27.1
93.07047	18.9
95.04974	29.0
95.08607	10.2
97.02900	15.3
97.06554	5.8
97.10188	6.4
98.21489	1.7
99.04459	4.2
99.08080	1.4
103.05473	0.8
105.07040	22.5
107.04980	8.2
107.08600	8.9
109.02888	15.9
109.06526	5.0
109.10185	4.0
111.04447	11.8
111.08089	10.3
113.05994	2.2
115.05477	1.9
117.07027	4.0
117.49541	0.9
119.04952	1.3
119.08588	17.7
121.06541	4.5
121.10159	11.1
123.04450	2.6
123.08087	3.2
123.11720	2.4
125.09661	3.5
127.03923	10.3
128.06235	1.0
129.05496	2.1
129.07019	12.4
131.04956	1.4
131.08572	10.4
133.06525	4.0
133.10143	8.8
135.11699	3.3
137.05952	1.0
137.09599	1.9
142.07838	2.5
143.08560	1.2
145.06467	1.4
145.10155	3.5
147.04433	1.9
147.08063	3.8
147.11693	16.5
149.05988	1.1
149.09618	5.8
153.12741	2.6
157.06494	1.1
157.10143	9.9
161.05995	1.3
163.11172	4.4
165.12752	5.5
171.11761	1.3
173.04489	3.0
173.09602	1.3
175.11180	13.6
181.12297	3.3
185.13283	0.9
189.11232	2.2
189.12875	1.6
191.10727	2.7
191.77771	0.8
193.12256	42.1
199.81404	0.9
209.11694	0.9
211.13300	68.0
217.12244	1.4
227.12709	5.4
229.14340	1.9
231.13858	1.3
235.13225	1.9
249.14911	2.2
255.13773	0.9
267.15939	19.4
267.18646	1.3
273.15015	2.7
277.14456	1.8
283.15842	1.7
285.16980	13.8
291.16107	1.1
301.14331	4.0
309.17105	1.5
313.16116	1.2
319.15347	2.6
337.16565	3.4
351.18018	0.9
355.17664	6.6
357.24316	0.9
367.22894	2.2
375.17923	2.0
385.23724	3.2
390.14581	0.9
393.19159	2.6
403.24866	1.9
411.20300	5.6
429.21359	2.7
459.27350	8.4
477.28427	11.4
495.29605	15.7
511.28622	1.3
519.29236	1.4
543.28918	1.2
561.30359	1.3
573.30664	1.1
585.30817	2.3
603.31641	3.2
621.32611	11.4
639.33807	43.9
640.34418	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	2.0
65.03264	0.5
69.30412	0.9
69.30816	3.3
75.70867	0.5
81.07063	1.0
91.75166	0.6
169.25998	0.5
183.09242	0.7
194.14304	0.5
194.36734	0.5
210.11632	0.6
290.16980	0.6
375.16388	0.6
377.17862	1.2
389.17899	1.3
390.18607	1.6
391.19229	4.6
392.20041	1.7
393.21219	1.0
403.19592	1.4
404.20419	1.2
405.16324	0.7
405.21075	6.1
406.21777	2.1
407.22281	3.7
417.21078	1.6
418.17749	0.9
419.18173	1.6
419.23306	3.9
420.23587	4.1
421.24680	2.5
431.18814	2.1
432.19611	2.0
433.19696	3.7
433.24930	1.5
434.20953	3.0
434.25168	2.4
435.22043	5.6
444.18970	0.7
445.20151	3.0
446.21301	1.6
447.22324	4.5
448.22858	3.3
449.24069	3.9
452.22275	4.3
459.21887	2.4
460.22766	5.6
461.23953	3.6
462.20129	5.1
463.21472	2.2
465.22525	2.7
475.21100	3.8
476.22220	2.7
477.22995	8.4
478.23615	1.6
479.24911	3.1
489.22858	1.5
491.24561	2.1
492.25360	6.6
493.26590	3.6
503.24506	1.9
506.27243	0.9
507.27802	2.0
518.23602	0.8
519.23987	1.1
521.25934	9.1
533.25751	0.9
535.23175	1.1
535.27832	1.5
536.24194	11.3
537.24530	2.5
547.27655	5.1
548.27747	1.6
549.24622	2.7
551.27100	1.0
552.27283	3.1
561.24872	1.5
579.29834	14.5
581.27747	1.7
593.27563	1.0
607.29346	4.3
608.30200	1.0
609.26764	1.1
621.26642	1.4
622.27850	18.3
623.28015	1.1
639.31799	100.0
640.32312	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	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01870	0.6
55.05504	1.1
59.58987	0.4
67.05503	1.2
69.07076	0.8
69.19616	4.2
69.54717	0.4
72.23840	0.4
73.22867	0.4
79.05512	1.4
81.03420	0.5
81.07064	1.5
91.05499	1.5
93.07059	1.0
95.04964	0.7
95.08586	0.6
98.21625	0.8
105.07056	1.2
107.08611	0.9
117.07085	0.6
119.08633	0.8
129.07008	0.5
131.08627	0.7
133.10197	0.5
138.12462	0.4
159.11775	0.7
184.07455	0.5
185.13271	0.5
240.87415	0.5
253.35684	0.5
275.20120	0.7
377.17679	0.7
378.18460	0.6
390.18494	0.7
391.19370	1.3
392.20169	0.8
393.21362	0.8
404.16299	0.6
405.17328	1.5
406.17648	0.7
407.18524	1.4
407.23068	2.7
418.17731	0.9
419.18536	4.0
420.19427	1.5
421.20331	3.2
422.20990	0.5
423.21899	0.6
432.19675	0.9
433.20322	9.4
434.21378	3.8
435.22076	5.8
436.22903	1.4
446.20526	0.5
447.22345	0.8
449.19592	6.6
450.20569	1.1
459.18369	0.5
461.23938	0.9
462.19614	0.6
463.21982	2.6
464.22208	3.3
465.22989	1.7
475.21420	1.0
478.20462	1.0
479.20828	1.1
491.21011	1.6
492.21515	4.0
493.22122	4.3
494.23065	0.5
505.23361	2.4
506.23486	0.7
507.23779	1.6
519.23596	0.8
520.24274	0.8
521.25757	6.0
523.26825	1.3
524.24579	0.5
527.37354	1.3
535.23230	0.7
547.23859	0.5
550.25201	0.6
551.27081	2.4
561.25165	1.7
564.24017	1.4
565.24567	1.3
575.23035	0.8
579.26117	24.0
580.26587	1.5
581.27460	2.0
597.27155	1.1
607.25629	3.9
611.28424	0.7
621.26941	3.2
639.28168	100.0
640.28217	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	639.2818
Annotation	Cucurbitacin B 2-sulfate
Peak:m/z	Relative Intensity
53.03951	1.3
53.97908	1.2
55.05511	2.8
67.05495	4.6
69.07085	1.6
71.51083	1.8
79.05486	3.5
81.07063	2.6
91.05485	3.2
93.07038	2.6
94.18935	1.2
95.04956	1.4
95.08605	2.9
105.07037	2.4
107.08627	1.3
119.08559	2.1
120.13441	1.0
131.08540	1.8
133.10094	1.2
135.11703	1.1
202.16003	1.3
203.16283	2.0
209.10779	1.4
218.87744	1.1
223.12286	2.8
225.06665	1.4
235.12242	1.9
236.13199	1.1
237.13838	3.2
238.14789	1.8
239.15442	1.4
249.14090	1.1
250.14688	1.6
251.15427	2.8
252.16328	1.5
253.17101	1.5
256.69412	1.1
260.11517	1.4
261.14044	1.6
272.12378	1.1
279.14908	2.3
299.10413	2.2
350.16476	1.1
376.17773	1.1
406.17960	1.5
407.18396	2.2
410.21378	1.4
415.59061	1.2
422.21533	1.8
423.21579	2.1
449.19254	1.5
450.20605	2.2
451.21506	2.2
466.22516	1.1
468.21698	1.2
472.19254	1.3
479.21103	2.1
494.24353	2.3
496.23840	1.4
506.24084	1.3
509.25763	14.0
510.26074	1.3
518.23358	1.2
519.23663	2.8
520.23730	1.5
522.22925	1.8
527.37189	1.9
536.24188	1.8
537.25330	10.7
549.21173	1.3
551.26324	3.1
561.24811	3.0
565.17755	1.4
565.24579	12.7
567.29047	1.4
569.27710	19.2
579.25824	6.9
589.24377	1.4
596.26440	2.1
597.27118	100.0
598.27106	4.2
607.25726	7.8
611.28693	10.8
621.26666	8.8
621.39703	1.3
639.27502	36.0
639.40271	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	639.2826
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.87209	3.5
54.93413	3.5
57.26768	4.5
59.10821	3.7
63.23293	3.6
69.45827	22.6
93.90197	3.9
95.75057	3.3
162.49222	3.6
209.87805	3.6
210.11620	4.3
246.77562	3.7
249.92529	3.7
267.14856	5.9
292.33987	3.7
379.04068	4.3
439.18439	3.5
444.19000	5.8
449.19482	4.7
459.21872	15.7
460.22852	4.0
461.22205	3.8
492.20392	4.1
509.48636	3.6
547.26776	9.1
551.25769	5.1
579.25543	13.3
579.42438	4.1
580.26898	8.0
594.24890	4.5
596.25928	8.1
606.28259	51.1
607.25690	24.3
611.28986	21.2
621.26453	5.6
622.27557	5.6
639.28107	100.0
645.72290	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.3
64.07413	1.0
66.82625	1.0
67.05492	4.1
68.08811	1.1
69.07061	1.5
71.50169	1.5
79.05501	5.1
81.07063	4.0
83.08610	1.6
85.06519	1.0
91.05479	3.7
93.07057	2.8
95.04967	1.8
95.08601	3.2
105.07059	2.5
107.08616	2.2
109.10119	1.2
117.07049	2.2
119.08624	2.0
125.14352	1.1
131.08525	1.6
133.10158	2.0
145.10165	1.2
155.08559	1.1
173.26437	1.1
202.93750	1.1
203.16429	1.6
209.10713	2.1
211.12209	1.4
221.10741	1.3
223.12361	4.4
224.13155	1.5
225.14082	1.6
235.12366	1.9
237.13940	4.5
238.14648	2.8
239.15509	1.7
249.10368	1.3
249.13919	2.6
249.69972	1.2
251.15549	2.6
261.14041	2.0
264.12723	1.3
273.35571	1.1
276.05209	1.2
279.14893	2.6
299.10205	1.3
302.14200	1.2
324.15308	1.2
326.16599	1.2
365.61404	1.3
378.19681	1.4
379.19403	1.9
393.21063	1.5
394.22015	1.3
407.18665	1.9
409.20932	1.2
410.20978	1.4
417.17087	2.2
421.20560	1.6
422.21271	3.1
423.22379	2.8
434.17474	1.8
435.17908	1.8
436.18762	1.4
445.20361	1.6
449.19836	1.8
450.20554	2.8
451.21664	2.8
475.20935	1.4
479.20908	1.7
480.22260	1.6
481.26270	1.9
483.24429	1.5
491.20993	1.9
493.22171	1.3
494.24023	2.8
506.22504	1.3
507.20920	1.4
509.25470	14.2
519.23907	1.8
522.22711	2.1
527.37646	3.5
537.25153	11.0
549.43402	1.3
551.26605	5.6
561.24982	3.0
564.23730	1.7
565.24561	14.0
567.30243	2.2
569.27716	19.9
579.25775	5.8
589.24225	2.1
596.26398	3.1
597.27075	100.0
598.27441	4.2
607.25842	6.3
611.28815	13.5
621.26727	7.6
639.27991	41.0
639.41089	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	639.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
59.05001	3.3
67.05509	3.1
69.07062	1.6
69.20347	8.2
69.20768	2.8
81.07085	2.6
90.76394	1.0
91.05457	1.5
93.01723	1.0
93.07001	1.3
95.08625	1.3
95.55872	1.0
105.07007	1.0
112.40751	1.0
112.93375	1.0
119.08673	1.0
220.17244	1.2
310.13635	1.2
311.28391	1.1
322.13721	1.3
364.18265	1.5
375.16290	3.9
376.17267	3.8
377.17657	5.8
378.19247	1.6
379.20233	1.6
380.21527	1.4
388.17938	1.6
389.17871	6.3
390.18262	7.4
391.19205	19.6
391.23996	1.7
392.20218	5.0
393.21381	1.8
402.18701	1.4
403.19391	5.8
404.20248	5.8
405.15994	2.2
405.20883	29.7
406.21585	13.2
407.22427	5.2
415.19272	1.5
416.20175	1.9
417.16510	1.7
417.21057	3.8
418.17407	1.8
418.22278	1.5
419.22806	13.5
420.23257	18.9
421.24127	9.4
424.22800	2.1
430.18069	1.9
431.17926	5.1
433.19980	4.9
433.24240	6.8
434.24866	5.9
435.22205	7.2
438.20773	2.7
445.20428	4.6
446.21036	3.3
447.22226	7.7
448.22726	15.4
449.23630	17.4
451.21600	1.3
452.22122	21.0
459.22095	10.6
460.22699	17.7
461.24710	6.5
462.20319	18.6
463.20850	5.0
464.22635	1.4
465.22684	10.1
466.23645	1.6
473.19644	1.4
475.21014	16.0
476.21817	11.1
477.22903	34.5
478.23569	2.5
479.25204	2.7
487.21194	2.5
489.22998	3.4
492.25800	13.1
493.26862	5.0
501.22906	1.9
503.24414	9.5
504.24649	1.4
507.27686	4.6
508.28653	1.3
519.23132	1.4
521.22473	10.5
527.37488	1.7
533.25854	1.7
535.26929	8.0
536.24237	56.2
537.24725	5.3
547.26727	4.1
549.25159	1.9
551.26508	2.2
552.27368	14.4
561.25317	4.8
562.25580	3.6
563.26587	4.4
579.30109	16.4
581.27496	2.0
593.27765	3.3
607.28986	4.6
609.27405	1.9
621.27161	6.2
622.27905	90.1
623.28418	3.2
639.31830	100.0
640.31854	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2816
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05505	0.3
56.81356	0.2
62.83323	0.2
67.05499	0.6
75.05180	0.3
79.05492	0.4
81.03370	0.3
81.07056	0.6
91.05491	0.4
93.07048	0.5
105.07031	0.5
107.08609	0.3
133.10158	0.2
171.96051	0.3
197.10698	0.2
204.06618	0.6
206.30446	0.2
221.10779	0.3
223.08788	0.3
225.10202	0.4
228.95744	0.3
237.10402	0.3
239.11792	0.6
249.10268	0.4
251.11836	0.4
265.13312	0.3
276.11435	0.3
291.19769	0.3
297.12531	0.3
302.12991	0.3
314.13120	0.3
315.13882	0.4
323.13715	0.2
326.12790	0.5
328.14572	0.3
338.12637	0.2
342.16211	0.4
356.17715	0.3
365.17819	0.4
379.19696	0.3
391.15613	0.4
392.15878	0.4
393.17032	1.0
393.20978	0.8
400.16666	0.3
403.19031	0.3
405.17053	1.2
406.17984	1.0
407.18402	2.0
417.16919	0.4
418.18631	0.2
419.14725	0.9
419.19495	1.3
420.15518	0.8
420.19647	0.9
421.20508	5.3
422.20981	1.5
423.21832	0.9
430.17648	0.5
431.18933	0.8
432.20007	0.4
433.16058	0.8
433.21432	1.9
434.17529	1.4
435.18082	2.0
435.22424	1.2
436.22992	1.7
445.16287	0.5
446.21182	0.4
447.17288	0.6
447.22165	1.1
448.18488	2.2
449.19632	9.7
450.20432	2.2
451.21173	0.8
459.18390	0.8
460.19070	0.7
461.19696	1.4
462.20370	1.1
463.21527	5.4
464.22168	5.1
465.22620	0.8
473.19794	0.3
474.20505	0.9
475.21558	2.0
476.18613	0.5
477.18842	5.5
478.19766	1.6
479.20773	0.8
481.22095	0.3
489.19247	0.3
490.19699	0.4
491.20319	1.3
492.21231	1.8
493.22348	1.0
495.24265	0.5
496.24698	0.3
505.21866	0.9
507.24863	1.3
508.24753	0.3
509.25583	0.5
519.23779	0.5
521.21515	0.4
523.22620	1.4
533.22131	1.0
535.23602	3.0
536.23883	1.9
537.21521	1.2
547.23492	0.5
549.21240	0.6
550.25702	1.3
551.26556	2.6
561.24976	3.3
562.25385	0.4
563.22797	0.6
564.23505	4.7
564.31793	0.3
565.24133	1.9
567.25818	0.7
579.26007	8.1
580.26660	0.5
581.24628	0.5
592.22894	0.4
595.25592	2.2
596.26147	0.8
607.25592	1.2
610.27643	0.9
611.28986	0.5
621.27081	4.4
622.27850	0.4
624.25745	6.1
639.28088	100.0
640.28442	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	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
56.99966	0.4
69.16638	4.5
79.05402	0.3
88.58370	0.4
98.21548	0.9
106.18518	0.4
109.10112	0.4
153.35023	0.5
209.10802	0.7
286.13434	0.4
298.13361	0.5
300.14862	0.4
312.14728	0.5
313.15674	0.4
326.16513	0.6
354.36551	0.4
375.16202	0.4
376.17130	0.8
377.17590	2.4
378.18774	1.3
386.18652	0.8
387.19171	0.4
388.17972	0.4
389.18027	1.6
390.18314	1.9
391.19174	6.3
392.19992	4.6
393.21201	1.5
403.19424	1.4
404.20261	1.8
405.15820	0.8
405.20773	10.9
406.21527	5.1
407.16983	0.8
407.22311	13.7
408.22858	0.5
414.21786	0.5
415.19418	0.8
417.20883	1.5
418.21588	1.3
419.22418	5.1
420.23102	5.7
421.17740	0.9
421.23865	19.0
422.17474	1.0
422.24609	4.3
426.22162	0.6
431.18484	0.7
432.19003	0.5
433.24167	5.5
434.24631	2.4
435.18268	2.0
435.25470	1.3
436.19028	2.5
437.19653	0.8
445.20056	2.1
447.21713	1.7
447.26471	0.9
448.26511	0.9
449.19415	1.0
449.27643	0.7
450.20667	1.4
451.21329	15.7
452.22009	4.4
458.16840	0.5
458.23862	0.5
459.22070	0.8
460.22748	0.7
461.23706	2.1
463.21429	1.9
464.22150	1.8
465.22888	19.3
466.23624	1.4
472.18826	0.5
473.19952	1.8
474.20541	0.6
475.21060	1.6
475.25836	1.0
477.22797	1.6
478.23438	2.3
479.24680	1.8
486.20361	0.5
487.21249	3.2
488.22284	2.4
489.22833	0.8
491.20938	2.1
492.21289	1.2
493.25967	2.4
501.22800	2.1
502.23438	0.9
503.24454	15.3
504.24896	1.6
505.22299	1.2
507.27579	13.1
508.28314	3.5
518.23999	0.6
519.23944	1.1
520.24194	0.4
522.22705	0.5
523.23389	4.3
533.25397	1.7
535.27112	18.2
536.27679	1.9
537.24988	11.6
551.26636	5.4
552.27356	23.0
553.28009	0.6
561.25165	4.0
562.25696	0.7
579.25964	10.3
580.26611	3.9
593.27539	1.4
595.29224	7.7
607.25580	0.6
621.27094	21.3
622.27124	0.8
639.28125	100.0
640.28455	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	639.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01875	3.5
55.05512	3.7
65.03936	3.0
65.90108	1.8
67.05495	5.1
69.03429	5.1
69.07069	3.2
71.07919	3.1
71.08263	4.1
73.98662	1.8
79.05494	6.7
81.03432	14.3
81.07053	7.7
85.02898	5.6
87.96922	1.8
88.78114	2.1
89.57508	1.8
91.05488	24.2
93.07059	6.6
95.04964	4.5
95.08624	4.2
95.74345	1.9
97.02892	6.3
103.05475	3.8
105.06995	4.5
107.04954	22.6
107.08585	2.7
107.34158	2.1
109.02873	4.5
111.04438	3.5
117.03382	3.4
117.06992	3.7
119.04962	23.8
119.08583	2.6
120.51547	2.0
121.02882	4.5
121.06503	3.8
121.10110	1.8
122.03658	4.8
123.08102	3.1
123.11716	2.6
126.52080	2.1
127.03907	2.8
129.06947	2.9
131.04936	4.3
131.08571	1.8
133.06448	3.4
133.10115	3.5
135.07994	5.3
137.05988	78.7
145.02847	9.7
145.06514	3.2
146.03166	2.0
147.04416	100.0
147.11699	3.2
149.06017	5.6
151.03909	45.5
151.04959	2.5
151.07547	31.1
153.05476	6.0
161.05975	7.1
163.03848	2.4
163.07526	7.9
165.05621	2.3
167.07027	4.0
175.07545	6.2
177.05487	15.5
177.09048	4.9
189.09084	5.1
191.07043	5.2
193.04968	3.6
195.08167	3.3
195.10193	13.4
201.05464	2.3
203.07091	2.6
219.06474	5.6
221.08051	5.3
223.07469	4.2
227.10747	3.7
229.08661	10.5
245.09627	6.0
247.07594	3.4
249.09114	4.0
253.08708	4.3
253.12276	3.2
255.10158	3.0
261.05502	3.0
265.08698	2.9
267.10120	5.5
273.09125	6.4
277.08670	7.1
278.08984	2.7
279.10245	5.9
281.08136	4.9
281.11569	2.8
285.11325	2.4
287.12909	4.4
289.04974	5.8
289.08362	2.4
290.05890	4.9
290.09311	6.5
293.11871	3.7
295.09665	2.4
301.08539	4.8
305.08139	6.6
305.11761	7.7
306.08878	2.8
307.09665	6.1
309.11331	4.2
311.12863	6.6
313.14417	3.4
318.08908	11.0
319.09610	3.6
321.11328	13.4
331.15439	19.3
333.11246	42.9
337.10788	9.0
337.14359	3.2
339.12363	18.9
343.11755	3.5
350.11395	4.7
351.12234	2.3
355.15439	7.1
365.13858	41.0
368.40707	2.3
373.12833	66.3
383.14899	97.7
441.17297	2.4
449.19598	3.5
459.17963	26.4
477.18961	8.8
498.11652	2.5
501.50040	2.2
654.44897	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03153	1.0
57.07077	2.1
65.18309	1.0
67.05507	3.3
69.07077	1.4
70.39676	0.9
74.17324	1.0
81.03446	1.2
81.07043	2.0
83.08656	2.0
85.10180	1.1
91.05486	1.6
95.08640	1.8
98.04951	0.9
98.21527	2.7
105.06996	1.2
109.10175	1.6
125.09602	1.1
130.70937	1.0
155.51038	1.0
159.64848	0.9
173.11951	0.9
177.16133	0.9
403.19431	1.8
404.20132	1.1
415.19232	4.9
416.20276	1.7
417.20990	4.2
429.21155	3.4
430.22156	1.4
431.22980	2.6
432.23511	2.3
443.23160	1.9
444.23117	4.3
445.19818	2.6
445.24896	1.6
446.21347	1.8
457.20407	1.3
458.20416	5.0
459.21167	6.7
460.22549	4.2
461.20026	3.4
473.23605	2.5
475.21509	3.2
476.22211	5.1
485.24228	1.5
486.24530	1.2
487.25217	7.7
489.23264	1.3
491.24426	16.8
502.23715	1.7
503.24564	1.9
504.26172	1.3
505.26236	2.0
518.23285	3.9
519.27563	1.3
530.23743	1.4
545.25366	10.1
546.26727	1.5
549.25165	3.6
563.26447	1.6
564.27393	13.0
577.28717	5.5
605.27612	38.8
637.30286	100.0
638.30396	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	637.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.6
53.03950	10.6
55.01875	13.7
55.05509	25.4
57.03441	9.1
59.05001	2.1
63.93431	1.9
65.03929	3.4
67.05505	33.5
69.03432	17.8
69.07063	11.3
71.01326	2.7
71.04990	9.7
71.50519	2.0
79.05494	33.7
81.03419	100.0
81.07056	30.7
83.01331	3.3
83.04978	24.3
83.08618	23.3
85.02906	16.1
85.06522	3.4
91.05480	27.7
93.07050	31.5
95.04968	18.4
95.08620	13.9
97.02888	18.2
97.06520	7.7
97.10160	4.5
99.04437	5.9
99.08057	2.8
105.04438	1.9
105.07047	25.3
107.04960	11.7
107.08598	21.3
109.02883	22.2
109.06506	7.7
109.10140	10.2
111.04433	19.7
111.08092	12.2
114.60437	2.0
117.07005	6.5
119.08593	20.1
121.06515	6.9
121.10143	17.5
123.04448	4.0
123.08067	7.0
123.11694	5.1
125.09624	7.1
127.03899	12.5
129.06996	10.3
131.04898	2.4
131.08600	9.9
133.06432	3.2
133.10132	10.5
135.08066	4.6
135.11653	8.8
137.05884	2.4
137.09595	4.0
141.06937	1.8
142.07739	2.1
143.08612	2.4
145.06528	2.8
145.10155	17.3
147.08028	3.1
147.11655	10.9
149.05997	2.5
149.09631	7.2
153.12761	9.5
155.08514	2.0
157.10121	10.6
159.11700	4.8
161.05910	2.5
161.09537	2.6
163.11165	20.4
165.12753	5.4
173.04433	3.3
173.05859	2.4
173.09612	4.2
173.13225	2.6
175.11151	8.7
181.12186	9.4
183.06561	2.3
189.11209	2.7
191.10658	8.8
193.12267	23.2
205.16020	2.4
206.91370	2.2
209.11670	8.9
211.13297	43.2
215.96838	1.9
223.17015	2.6
226.64702	2.0
227.12735	18.6
243.13776	2.1
267.15878	7.6
273.14801	2.5
283.15350	9.9
285.17239	3.4
301.14133	2.5
335.14786	2.4
353.15756	5.0
355.17560	3.8
383.22244	4.8
411.20065	2.5
439.32190	2.4
440.27597	4.2
457.26883	3.7
457.33133	23.8
475.26813	9.6
475.34088	11.6
493.27783	11.6
619.30823	4.5
637.32129	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
57.07067	4.1
67.05507	6.1
69.07062	2.5
70.58852	3.2
71.08634	3.0
76.38678	1.0
81.03434	1.2
81.07058	3.1
83.08660	2.0
93.07056	1.1
95.08586	2.3
98.20831	1.1
102.93984	1.1
107.08630	1.5
109.10156	5.4
117.46655	1.1
119.08620	1.2
145.10199	1.4
209.10669	1.1
221.12666	1.1
261.14188	1.1
315.76340	1.0
357.12970	1.2
418.17731	1.2
419.18582	1.7
433.20288	3.2
434.21234	1.8
443.18512	1.3
444.19205	1.7
445.20413	2.4
447.21930	1.4
448.22733	1.9
459.22125	4.4
460.22586	2.3
466.35602	1.5
467.37433	3.1
475.21378	3.6
476.22342	1.6
519.23834	1.6
521.25226	3.3
525.41736	2.1
534.26373	1.9
545.25726	1.2
547.26959	3.4
561.25317	2.4
562.26050	3.0
563.26447	9.0
577.27802	2.3
579.26361	1.7
594.28204	2.0
605.27527	2.0
606.28369	2.3
622.27869	2.1
637.30273	100.0
638.30591	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	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31961	0.3
67.05489	0.3
69.12178	0.3
107.00187	0.3
149.36372	0.3
152.96178	0.3
223.12312	0.3
237.13977	0.3
253.56761	0.3
271.11856	0.3
312.15002	0.3
324.15164	0.3
387.15961	0.3
388.17346	0.4
389.17737	0.7
391.19254	0.3
401.17801	0.6
402.18661	0.8
403.19287	1.2
404.20337	0.6
405.21191	0.7
414.18774	0.6
415.19269	1.3
416.20566	0.5
417.16455	0.8
417.21509	1.9
418.22119	0.5
419.22980	1.3
420.23264	0.7
428.16577	0.4
429.17053	1.0
429.21649	0.6
430.17184	1.8
430.22806	0.4
431.18088	3.8
432.18552	0.5
432.23199	1.2
433.20230	0.9
443.18359	2.4
444.19168	3.0
445.20145	9.2
446.21411	2.1
447.22299	1.5
457.20468	0.7
458.20981	8.3
458.26730	0.6
459.21863	7.3
460.22891	5.9
461.19489	4.0
462.20328	0.8
471.21756	0.5
472.22650	0.8
473.23267	1.1
475.21594	2.6
476.22284	1.2
477.22781	2.4
485.23596	0.5
486.24533	0.5
487.25574	0.6
489.22867	0.9
490.23615	0.9
491.24677	1.6
503.20453	0.9
504.25131	1.1
505.22369	0.8
513.22888	0.4
517.22382	0.9
518.23071	5.8
519.23175	0.4
530.23102	0.6
531.24304	0.8
532.25037	0.5
533.25745	3.1
535.23193	1.5
545.25568	2.4
546.26306	1.5
547.27740	0.3
549.25037	1.3
563.26398	0.4
573.25018	0.7
577.28351	2.6
591.25763	0.3
592.26874	0.4
605.27673	14.6
606.28119	0.9
637.30249	100.0
638.30377	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	637.2664
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
50.88966	0.6
51.55017	0.6
53.68982	0.6
55.05525	0.8
67.05526	1.2
69.07066	0.8
71.50329	0.9
79.05503	1.4
81.03460	0.8
81.07037	1.1
88.85825	0.6
91.05483	0.7
93.07035	0.8
107.08604	1.0
111.08064	0.9
119.08621	1.0
145.10138	0.7
159.11838	0.8
297.12317	0.8
347.42166	0.7
375.16684	0.9
377.17560	1.2
388.17169	0.7
389.17862	1.0
390.18698	1.5
391.19418	1.4
402.18555	1.0
403.15112	1.1
403.19571	1.3
404.20413	1.3
405.17001	2.1
405.21234	2.0
407.22363	1.9
415.15082	1.0
417.16388	0.9
417.21014	2.2
418.18088	1.4
419.18777	2.8
420.19724	1.3
421.20169	0.9
429.16760	1.3
430.17676	1.3
431.18872	3.1
432.19843	1.5
433.20950	3.2
435.21835	4.1
443.18896	1.0
445.20316	2.5
447.17618	1.4
459.17926	1.3
460.18881	1.1
461.19754	3.7
462.20468	2.9
463.21338	5.2
472.18973	1.3
473.19864	2.3
475.21262	2.3
486.14835	0.8
489.19760	1.1
490.19870	4.6
491.20419	3.4
493.26361	1.1
503.20224	3.2
517.22266	0.9
519.24200	1.6
521.25293	2.2
525.36444	0.8
531.24335	1.2
533.21667	0.7
547.23572	2.2
549.25098	8.5
559.23633	1.7
577.24506	21.5
605.24170	1.8
609.27203	2.9
619.25610	9.6
637.26605	100.0
638.26837	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	637.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
56.28587	0.9
57.07063	1.8
57.42968	1.0
61.03814	0.9
67.05499	2.4
69.07077	2.1
69.82148	4.6
79.05511	1.7
81.07059	2.2
83.08637	1.5
95.08628	2.5
103.77885	0.8
109.10168	1.9
140.75845	0.9
145.95236	0.9
165.46271	0.9
223.12497	3.0
224.13191	1.5
225.10255	1.5
233.76289	1.3
237.14038	1.3
239.15555	1.6
244.73047	1.0
283.11099	1.1
405.21017	1.2
408.74893	1.1
419.18475	1.8
433.20364	2.8
447.22339	1.8
448.22653	1.3
459.21732	3.4
461.19858	3.0
467.37189	1.2
475.21536	4.5
476.22141	8.3
489.22934	1.6
503.24551	1.3
519.24005	1.6
535.23840	1.9
545.25470	2.0
547.23779	1.7
549.25165	1.7
562.25629	7.9
563.26660	3.8
577.28015	4.5
579.26147	1.6
594.28314	1.0
605.27594	1.4
622.28094	3.1
637.30249	100.0
638.30524	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	637.302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90465	0.5
57.07027	0.5
66.88707	0.5
67.05449	0.5
70.74990	0.8
70.75336	0.6
131.89603	0.5
178.22607	0.5
250.47191	0.6
339.82190	0.6
374.16422	0.6
377.17493	0.7
385.14752	0.7
389.18442	0.6
390.18750	0.6
391.19217	2.9
392.20010	2.2
399.16254	1.3
400.17068	1.4
401.17844	1.2
402.18582	1.5
403.19376	1.5
404.20782	1.0
405.20834	5.9
406.21616	5.5
412.17447	0.6
413.17673	1.9
414.18600	3.5
415.19345	5.4
416.20230	0.7
417.20908	1.7
418.21912	0.8
419.17764	0.7
419.22220	1.8
420.22998	4.8
421.23920	11.1
427.19275	1.8
428.20056	3.1
429.16000	0.9
429.20914	12.6
430.21509	2.1
431.18253	1.0
431.23126	1.0
432.23657	0.7
433.19061	2.7
433.24295	2.3
434.24573	1.7
442.21716	1.7
443.22446	9.6
444.23639	4.4
445.20178	5.2
447.17963	1.7
452.22058	0.9
455.18613	0.6
456.19733	1.7
457.23788	4.6
458.25027	7.4
459.21832	8.1
460.22818	4.6
461.19440	8.7
462.20242	0.6
470.20850	1.5
471.21765	2.0
472.22665	5.8
473.19678	2.6
473.24759	0.7
475.20511	2.8
476.21970	6.9
477.26810	0.7
483.17664	0.6
485.23517	14.1
486.20490	2.3
486.24069	3.5
487.20779	2.8
488.22238	4.2
489.22546	1.2
491.24292	0.8
493.22394	0.8
498.20880	0.8
499.21252	1.3
500.21964	1.9
502.23480	1.2
503.24496	19.8
505.22769	1.6
513.23151	3.4
514.24017	1.3
517.26001	8.2
519.23151	0.7
529.26227	1.8
530.23071	0.9
531.24603	1.0
535.27124	26.5
536.27789	0.7
545.25525	79.5
546.25806	2.3
549.24878	0.6
563.26343	6.0
573.24994	19.1
574.24658	0.7
577.28198	1.4
578.28528	0.9
605.27637	81.5
606.27740	2.3
637.30249	100.0
638.30304	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	637.2659
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
69.42088	0.7
69.42504	1.6
82.67002	0.3
93.07051	0.3
95.61061	0.3
98.21511	0.6
118.06532	0.3
207.09123	0.5
220.09880	0.4
221.10696	0.4
233.10902	0.3
269.02298	0.3
272.21939	0.3
300.14783	0.3
312.14935	0.3
360.14667	0.3
373.14746	0.3
374.15231	0.3
375.16217	0.9
386.15720	0.4
387.16263	0.9
388.17099	0.8
389.17563	1.9
390.18259	0.4
391.19345	0.5
401.17825	1.5
402.18961	1.6
403.14719	0.3
403.19537	2.4
404.19867	0.9
405.20758	1.1
405.86035	0.3
415.15088	0.7
415.19379	1.2
416.15833	0.6
416.20639	0.7
417.17023	1.8
417.21042	1.9
418.21890	0.6
419.22476	3.2
427.15866	0.4
429.17136	1.2
430.18063	1.1
431.18109	3.5
432.19315	1.3
433.15808	0.5
433.20844	0.7
435.18158	0.5
440.39999	0.3
443.18915	0.5
444.19516	0.5
445.20139	5.2
446.21405	2.4
447.22510	2.5
449.19839	0.7
457.16147	0.5
459.21863	1.2
461.15402	2.1
462.16629	0.5
463.21625	3.3
464.22217	0.4
471.18414	0.7
473.24155	0.5
475.17880	2.0
476.17880	1.5
477.19058	1.8
489.18793	2.1
490.19870	7.3
491.20770	11.6
503.21017	3.8
504.21548	1.1
517.22455	2.0
518.23358	0.7
522.22766	0.4
533.25635	6.2
535.20642	1.1
536.24799	0.5
545.22095	0.7
549.24402	1.8
559.23541	0.5
561.25598	0.4
562.22131	0.4
577.24469	25.6
578.24884	1.1
593.28070	1.5
605.23993	1.1
619.25531	0.5
637.26563	100.0
638.26782	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.266
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
53.03961	2.0
55.05494	1.3
57.07061	1.1
67.05523	1.4
69.07076	1.0
69.82043	1.5
69.82323	4.9
70.91148	0.8
71.05010	0.9
73.15305	0.8
74.09721	1.1
77.03926	1.0
79.05496	4.4
81.07056	2.0
82.19023	0.8
89.03935	0.9
91.05514	1.2
94.06568	1.2
95.04984	2.4
95.08624	1.9
104.05010	4.9
105.04520	1.5
106.06554	3.0
109.10171	1.2
112.08959	0.8
119.08531	0.9
120.08111	2.4
132.04453	0.9
134.06035	11.8
138.05528	1.2
144.04457	1.5
146.06020	1.8
152.07123	0.9
160.03984	1.3
162.05522	1.2
167.62076	0.8
168.56497	0.9
172.03923	5.1
178.05003	15.7
195.09135	0.9
204.06555	5.6
209.10686	1.1
211.12196	1.0
221.10780	1.4
222.07848	0.9
223.08717	2.4
225.10216	2.8
227.11821	3.0
235.08681	3.7
236.09473	2.2
237.10289	5.0
238.10857	1.0
239.11842	2.4
247.08647	1.5
248.09441	1.8
249.10208	6.8
250.10957	1.5
251.08163	2.5
251.11859	2.5
253.13435	3.1
263.08209	2.3
264.08957	1.3
265.09714	3.4
277.09717	5.2
279.08096	1.1
279.11273	2.9
281.09259	1.0
281.12756	1.5
284.11682	1.0
291.07620	1.3
297.12332	2.5
299.14182	1.2
300.11401	1.2
301.12320	1.2
305.09198	3.4
309.12466	2.1
310.13156	1.2
311.10483	1.9
311.13922	1.8
312.11316	2.5
313.12357	1.4
314.13022	1.8
315.13675	1.8
316.14447	1.3
324.11447	2.5
325.12213	1.9
326.12952	5.5
327.13773	1.7
328.14447	3.3
330.16080	2.1
337.11813	13.9
338.12903	2.3
339.13614	3.0
340.10858	1.8
340.14441	6.3
341.11530	1.7
342.12402	1.7
342.16116	2.2
342.73001	0.9
344.14014	1.0
352.10733	1.7
352.14597	1.3
353.11752	1.7
354.12283	3.2
354.16061	2.9
355.13144	1.8
356.13687	2.7
356.17520	1.6
358.15448	3.6
366.12411	1.6
367.13168	1.2
368.13834	3.8
369.14755	1.2
370.15585	2.2
382.15524	3.6
384.17136	1.2
387.15787	1.0
396.13327	3.0
400.16833	1.6
401.17529	1.2
403.15775	1.4
405.17078	2.0
410.14963	3.4
414.14157	1.2
415.15646	1.2
416.16302	1.1
417.17245	2.1
418.17953	1.6
419.18527	2.0
433.20465	1.5
438.14386	2.6
442.17523	3.4
444.19095	4.0
445.20422	1.1
447.22244	1.8
461.19623	3.9
462.20187	1.5
463.20935	2.6
470.17148	6.9
472.18890	1.2
475.21869	2.0
476.22101	1.5
488.18198	2.0
491.20468	1.3
502.19058	1.3
503.20566	4.0
504.21121	1.7
517.22369	2.1
530.18964	2.1
531.20190	2.4
535.23450	25.2
545.22028	3.2
549.25104	2.5
563.22479	3.7
573.21271	2.5
577.24390	37.0
578.24664	1.8
595.25543	9.6
605.23981	59.4
606.24139	1.9
619.25616	2.2
623.24573	1.2
637.26520	100.0
638.26721	2.2
666.41309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.2
57.07069	2.2
64.48940	0.9
67.05502	3.4
71.50216	0.9
74.74010	0.9
79.05473	2.2
81.07044	3.9
83.08625	1.4
91.05476	2.3
93.07034	1.8
95.08605	2.7
98.53908	0.9
105.06993	1.1
107.08600	1.2
109.06506	1.0
109.10148	1.3
114.13726	0.8
119.96749	0.8
131.08594	1.4
157.10046	1.0
162.05472	2.1
168.08072	2.0
181.07481	1.8
181.08871	1.3
182.08348	1.5
183.09183	1.4
193.07645	2.9
194.08424	2.0
195.09186	8.4
196.09874	4.4
197.10757	4.4
197.51662	1.0
207.09172	5.5
208.08093	1.1
208.09918	5.1
209.07143	2.4
209.10750	9.5
209.30354	1.0
210.07916	1.1
210.11502	7.8
211.08685	1.6
211.12288	3.7
212.12985	2.3
221.07112	3.0
221.10725	1.7
222.07892	3.3
222.11620	1.6
223.08711	11.2
223.12273	7.3
224.09413	17.3
224.13058	2.4
225.10269	8.6
225.13849	8.8
226.14699	2.7
227.15262	1.2
235.08652	6.4
236.09373	4.3
237.06552	1.2
237.10245	4.0
238.07274	1.0
238.10919	3.7
239.08173	2.6
239.11719	1.2
241.09711	1.1
249.06563	1.6
250.07405	2.3
251.08159	5.9
251.11856	6.3
253.13380	25.1
255.11349	5.0
256.12033	4.2
263.08224	5.4
264.08957	3.4
265.05997	2.0
265.09729	4.6
266.10504	2.2
269.09222	1.6
269.12881	2.5
271.14352	1.6
277.06039	2.3
279.07980	2.3
279.11292	6.5
281.09238	5.1
281.12759	2.6
283.10815	3.2
291.07651	6.8
293.09076	1.5
295.07123	1.6
297.12210	4.5
309.08759	2.9
310.09454	4.0
311.10202	2.5
311.13708	1.4
319.07239	2.5
325.11859	4.6
327.09866	1.2
351.09787	41.3
351.14087	2.0
369.10815	18.9
397.10339	1.2
456.15714	1.1
470.16833	2.7
503.20801	1.7
517.22296	7.4
525.41492	1.3
545.22095	2.6
549.24902	1.6
573.21613	4.6
577.24500	42.4
605.23987	100.0
606.24396	2.6
637.26544	22.2
637.42981	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30751	1.1
51.86777	1.0
67.05511	3.8
70.30530	3.4
77.34770	1.0
79.05518	1.8
80.02187	0.9
81.07059	2.1
86.09705	2.1
93.07020	1.2
95.08586	1.3
98.98486	2.4
106.63325	1.1
115.44450	1.0
118.06561	5.0
119.08562	1.1
125.00027	9.2
132.08109	1.9
144.08104	12.2
145.08459	1.2
146.09621	1.1
158.09676	5.0
159.10324	3.1
160.11082	1.7
162.09160	2.1
172.11224	2.6
173.11574	1.4
176.10786	1.6
176.14359	17.2
177.14705	7.0
184.07391	6.3
202.15918	82.0
203.16275	32.3
220.16972	70.1
221.17303	27.4
266.85596	1.2
300.13596	51.4
301.13901	20.2
317.78000	1.2
387.16449	1.1
397.15756	1.1
400.16977	1.9
401.17780	2.6
413.17874	2.2
414.18390	2.6
415.19455	8.7
416.19974	2.2
419.18204	1.5
420.19217	1.3
425.17590	1.6
428.20502	2.2
429.21280	8.0
430.21973	2.5
431.22781	1.4
433.20486	1.5
442.18036	1.8
443.18478	4.7
443.23248	2.2
444.18912	5.3
445.20343	2.3
456.19653	1.6
457.20435	6.0
458.20749	3.7
459.21902	1.7
461.19363	2.9
462.20410	1.3
471.22363	6.8
472.22913	2.0
473.18997	1.9
473.23950	1.4
474.20468	2.1
475.21304	2.1
484.18909	1.5
486.20706	6.4
487.21445	5.1
489.22986	2.0
490.20111	3.6
491.20682	2.6
499.21570	8.9
500.22180	2.0
501.22672	4.5
503.24332	3.4
517.22406	5.9
531.23993	15.5
535.23584	1.7
545.21954	8.5
549.24548	1.8
559.23450	100.0
560.23517	3.4
573.21490	1.5
577.24481	9.3
605.24011	9.7
618.39252	1.8
619.25549	18.2
619.40076	5.1
636.40295	5.9
637.26373	72.9
637.40308	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	637.2654
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
69.46796	3.4
98.21461	1.1
105.26058	0.5
197.24106	0.5
310.13412	0.7
377.17587	1.5
378.18320	0.9
386.15393	1.1
387.16293	1.2
388.17957	0.6
390.18951	0.6
391.19370	1.3
392.19907	0.7
393.20862	2.3
398.15567	0.7
399.16101	2.0
400.16800	3.1
401.17792	3.4
402.18283	0.8
403.19589	0.8
405.20850	1.3
407.22385	2.9
411.16037	0.6
413.17679	3.8
414.18674	4.4
415.19482	8.8
416.19949	1.6
417.16510	0.7
417.21356	1.0
419.22742	0.9
421.20361	2.9
425.17438	1.5
427.19983	2.7
428.20712	3.3
429.15872	1.2
429.21393	7.1
430.21576	2.0
431.18668	1.2
435.21912	2.3
439.19147	0.7
441.17331	1.0
442.17535	0.9
443.18356	3.9
443.22705	3.7
444.18744	4.1
445.20120	2.2
447.17612	0.8
455.19165	1.2
456.19608	1.6
457.20651	5.9
458.21262	4.3
459.22128	0.9
461.19720	1.6
469.16092	0.8
471.22211	6.7
472.23090	6.1
473.19641	5.1
474.20520	1.2
475.21774	0.9
484.19131	1.1
485.19437	2.5
486.20529	6.0
487.21143	2.2
488.22397	1.4
489.23535	1.3
490.19785	3.5
498.20789	0.9
499.21368	10.7
500.22745	2.6
501.23581	0.7
502.19641	0.8
503.24588	5.2
513.19214	0.8
514.19495	1.4
516.21686	1.6
517.22357	2.8
518.22211	0.7
521.25299	0.9
527.20752	2.8
528.21796	1.1
531.24060	11.6
541.22876	1.4
543.23889	1.3
545.21460	1.1
549.24506	1.2
550.25323	0.9
559.23425	100.0
560.23468	3.3
587.22986	16.3
605.24084	0.7
619.25537	95.2
620.25568	3.4
637.26520	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	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
67.05478	1.2
69.07036	0.5
78.20780	0.4
79.05474	0.5
83.35933	0.5
91.05430	0.9
95.08589	0.6
120.08044	0.6
155.11740	0.5
176.14609	0.5
209.10812	1.2
223.12276	0.7
229.67395	0.5
233.10808	0.5
245.10852	0.5
249.10091	0.5
279.35757	0.5
284.11295	0.6
297.12411	0.5
298.09799	0.6
312.11246	0.6
314.13031	0.6
360.15305	0.8
361.15878	0.6
362.16058	0.8
363.16190	0.8
364.16733	0.8
374.16321	0.6
375.16684	1.4
376.17093	1.1
377.17740	2.6
378.18634	2.1
379.19266	0.6
385.14606	1.1
386.15439	1.4
387.16168	1.4
388.18069	0.8
389.18066	1.0
390.18878	0.7
391.19250	4.1
392.19980	2.7
393.20700	4.5
398.15997	1.0
399.16074	2.2
400.16858	2.7
401.17865	3.1
402.18341	1.0
403.19296	1.5
405.16324	0.8
405.21503	2.4
406.21790	1.3
407.22336	7.0
407.27325	0.8
408.22787	0.7
411.16187	0.5
412.17236	0.7
413.17761	2.4
414.13824	0.7
414.18674	4.5
415.19464	6.9
416.20251	1.7
417.20789	1.7
419.17923	0.8
419.22513	2.1
420.19150	1.0
421.20209	5.7
425.17740	1.0
427.19989	2.3
428.20905	2.3
429.21417	6.4
430.22342	2.6
431.18988	2.5
433.15735	0.7
433.20633	0.9
434.21149	1.4
435.21661	4.7
436.22498	1.1
439.19351	0.8
441.17365	2.0
442.17392	0.6
443.17328	3.3
443.22675	3.7
444.18738	4.0
445.20975	3.9
446.21603	1.3
447.18069	2.4
447.22665	1.4
448.18866	1.4
456.19678	1.5
457.20694	4.6
458.21466	3.9
459.17529	2.3
461.19708	2.0
462.20166	1.2
463.21054	1.5
467.18790	0.5
469.16565	1.1
470.16922	0.7
471.22437	6.9
472.23291	4.7
473.19464	5.1
474.20630	2.9
475.16782	0.8
475.22037	1.3
477.19016	0.6
483.17792	0.7
484.19037	1.2
485.19901	4.6
486.20697	5.6
487.21237	2.2
488.22263	1.5
489.19156	2.2
489.23096	2.6
490.19522	6.3
491.20963	1.9
492.20691	0.6
498.21109	0.6
499.21399	12.0
500.22122	2.2
501.19449	0.7
501.24005	0.9
502.20123	1.4
503.24100	3.1
505.22037	1.0
507.24060	0.7
513.19177	6.4
514.20123	1.3
516.21552	1.6
517.22394	17.0
518.21741	0.7
519.20374	1.0
521.25305	2.2
527.20898	2.9
528.21606	1.4
529.22449	2.3
531.24597	12.2
535.23438	0.9
541.22388	0.7
543.23926	1.4
544.20844	0.7
545.21930	1.8
549.24976	8.6
550.25659	0.9
559.23444	79.1
560.23724	2.3
573.21875	0.7
576.21136	0.5
577.24823	3.3
578.24963	1.1
587.22882	14.9
588.23102	0.7
591.25842	4.7
605.24005	9.0
609.27124	1.5
619.25549	77.2
620.25488	2.4
637.26581	100.0
638.27100	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	636.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.4
67.05505	13.1
69.07063	13.0
69.46278	31.7
73.02928	59.8
79.05507	6.9
81.03458	7.2
81.07042	20.0
83.08608	13.1
85.02911	6.3
91.05466	13.4
92.57138	4.3
93.07053	19.7
95.04981	6.4
95.08628	27.6
97.02883	14.5
99.08099	8.5
105.07025	19.5
107.08611	29.2
109.10156	21.3
119.08598	35.8
121.10143	21.6
123.11697	7.3
131.08589	16.9
133.10130	29.2
135.11725	11.4
135.38162	4.4
143.08528	9.5
145.10104	28.2
147.04398	11.6
147.11700	15.5
149.09619	5.1
149.13268	7.7
151.11156	6.6
157.10135	14.2
159.11697	16.4
161.09608	4.8
161.13245	8.3
171.11688	8.8
173.13263	17.0
175.14842	18.6
177.05447	7.2
183.11725	6.8
185.13234	19.4
187.14838	32.2
189.16373	9.8
199.14847	17.7
201.16429	17.4
203.14313	8.0
205.15900	8.8
211.14925	6.4
213.16389	10.8
219.17444	8.9
231.17462	8.4
249.14894	9.5
267.21118	6.2
405.31570	34.2
407.32953	8.0
423.32507	17.9
433.30945	12.5
441.34201	5.2
451.32214	58.6
469.33191	9.0
487.34152	100.0
613.25104	7.2
656.41241	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	637.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.9
56.96952	0.3
67.05509	0.7
69.03440	0.5
69.07064	0.6
69.19340	0.8
69.19745	3.1
79.05508	0.5
81.03432	1.2
81.07061	1.2
82.82687	0.4
83.04970	0.4
83.08668	0.4
85.02917	0.9
91.05498	0.9
93.07058	0.8
95.08599	0.5
98.20752	0.8
105.07056	1.1
107.08620	1.0
109.02896	0.4
117.07069	0.3
119.08593	0.9
121.10140	0.8
123.08084	0.4
125.09680	0.3
127.03964	0.4
131.08655	0.4
133.10175	0.9
135.11702	0.4
137.06007	0.9
138.94337	0.3
145.10152	0.8
147.04446	0.5
147.11757	0.7
157.10197	0.5
165.09145	0.4
167.07037	0.3
177.05418	0.4
185.13432	0.4
189.05569	0.3
189.09302	0.4
189.12915	0.4
203.06900	0.6
219.06360	0.4
245.70183	0.3
271.13049	0.4
274.91718	0.3
395.11130	1.5
410.13391	2.9
425.12048	1.7
440.14560	4.5
475.26755	0.9
562.93451	0.4
589.20221	0.4
609.27625	0.4
622.19495	0.3
637.22644	100.0
638.22601	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30704	0.4
55.05496	0.4
57.23250	0.3
59.04403	0.3
62.67300	0.3
67.05475	1.2
67.46709	0.4
70.82250	0.9
79.05455	0.5
80.46280	0.3
81.07028	1.0
86.09692	1.0
91.05447	0.6
93.07043	0.4
95.08616	0.6
98.98438	1.6
102.82102	0.4
118.06551	5.0
125.00004	7.4
132.08069	1.6
133.08835	0.6
134.09624	0.5
136.23753	0.4
144.08090	12.1
144.22952	0.4
145.08852	0.5
146.09656	1.5
158.09647	5.2
158.38158	0.4
159.10445	1.3
160.11282	0.6
162.09137	2.7
172.11200	4.1
174.97972	0.4
176.10696	1.3
176.14357	22.4
177.11520	0.6
184.07349	4.6
186.12611	0.4
190.12265	1.4
202.15915	100.0
203.16264	0.9
220.16971	89.3
221.17357	0.9
300.13602	64.8
374.17413	0.7
415.19324	0.5
517.21790	0.4
531.23749	0.5
545.22363	0.6
559.23425	5.3
577.24847	0.9
605.23578	0.6
618.39124	6.0
619.25391	1.1
636.40259	27.7
637.26666	3.8
637.40179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01862	2.1
55.05506	11.3
55.23399	0.9
57.03196	1.4
57.03437	15.1
59.04989	3.7
61.02930	5.3
65.03943	2.6
67.05506	76.6
69.03423	3.1
69.07048	4.9
69.37506	9.3
71.04987	5.3
73.02908	2.9
75.67368	1.1
79.05492	15.3
80.87103	1.0
81.02933	1.9
81.03416	39.2
81.07056	25.8
83.04961	8.9
83.08618	17.9
85.02909	20.5
85.06538	4.1
90.76575	1.3
91.03939	1.8
91.05482	22.6
93.07040	11.1
93.53838	1.2
95.04969	15.9
95.08607	10.2
97.02882	4.2
97.06525	2.6
97.10152	3.5
98.20820	2.5
99.08110	2.3
105.07024	12.4
107.04945	3.9
107.08589	8.1
109.06513	3.5
109.10160	63.4
111.04471	1.7
111.08070	7.1
113.05966	1.4
116.06200	1.4
117.06985	2.5
119.08594	15.6
121.10119	6.5
123.08079	2.2
125.09619	1.5
129.07019	6.8
131.08569	5.6
133.10135	9.0
135.11702	2.5
137.09619	4.5
142.07762	1.8
145.10097	1.5
147.04417	2.1
147.08002	2.0
147.11690	11.4
149.09578	2.8
155.10646	6.0
157.10124	7.8
163.03867	1.3
173.11758	14.1
175.11183	8.3
193.12248	25.4
211.13301	39.5
229.14346	58.6
230.14786	1.1
249.14867	1.2
267.15887	13.7
285.16953	33.9
303.08371	1.1
321.68661	1.3
351.82162	1.2
421.25861	16.5
439.26907	100.0
440.27036	2.5
504.33966	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3946
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.05524	4.9
57.07067	1.9
65.03934	2.3
67.05515	5.0
67.05827	0.9
68.12629	0.7
69.07065	4.4
70.62540	0.8
70.62847	1.3
76.03919	0.7
76.65823	0.7
79.05493	4.6
81.07062	9.4
83.08624	6.5
91.05491	15.4
93.07044	10.9
95.04934	1.2
95.08611	18.6
99.08106	2.4
105.07034	13.3
107.08601	17.9
109.10165	13.3
117.07072	1.8
118.39960	0.6
119.04952	26.1
119.05808	1.4
119.08587	24.9
121.10155	14.4
121.10954	1.2
123.04447	1.0
123.11721	5.9
129.07001	1.4
130.07776	0.8
131.08583	10.5
133.10139	19.6
135.11702	9.0
137.09579	0.8
137.13219	3.2
139.11229	0.8
142.62578	0.7
143.08588	5.5
145.10139	13.6
147.04417	100.0
147.11691	12.5
149.13251	7.4
151.07610	1.2
151.89221	0.8
157.10124	6.2
158.10933	0.9
159.11707	14.5
161.13278	7.5
163.07518	0.8
163.11279	1.7
163.14832	6.5
165.05489	9.3
169.10139	2.4
170.10793	0.9
171.11725	5.4
173.13277	10.7
175.14861	10.0
177.16429	5.9
179.14313	1.5
181.10089	1.0
183.11705	2.1
185.13283	8.8
187.14830	15.7
189.16422	7.2
191.18001	3.2
193.15897	1.3
197.13274	2.4
199.14864	7.2
201.16393	18.9
203.14339	8.0
203.17915	6.3
205.15883	7.2
207.11827	0.8
207.17462	2.9
209.13232	0.8
211.14876	2.8
213.16417	7.3
215.14407	1.2
215.17880	4.2
219.13777	0.8
219.17419	1.0
221.15334	1.1
221.18985	1.0
223.14839	1.4
225.16345	1.6
227.17905	2.9
229.15967	1.0
229.19537	1.9
231.17439	1.8
233.15475	2.1
233.19025	0.9
237.16437	1.2
239.17902	2.1
245.15373	3.1
247.17015	2.6
249.14835	7.2
253.19586	1.9
259.16949	3.2
267.21103	1.1
279.21140	1.4
281.22754	0.8
293.22534	0.8
309.25662	0.8
325.21942	1.0
349.28864	1.1
389.32166	5.7
395.29483	3.1
407.33142	16.9
409.30923	2.4
417.31870	0.9
425.34094	4.4
435.32617	11.6
453.33627	7.4
471.34848	4.0
617.37756	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	635.3945
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03916	1.3
55.05516	8.8
57.07079	3.1
57.33073	1.2
65.03947	2.6
67.05511	10.8
69.07067	9.5
69.32564	9.9
79.05510	5.8
81.07065	17.3
83.08627	13.8
86.76784	1.2
91.05486	19.5
93.07052	14.9
95.08611	30.7
98.20785	2.2
99.08114	3.5
104.69749	1.4
105.07038	21.4
107.08604	25.5
109.10149	11.4
117.07021	2.2
119.04947	24.7
119.08589	33.0
121.06541	1.1
121.10159	19.5
123.04352	1.2
123.11743	7.7
129.07008	2.3
131.08594	11.1
133.10143	16.1
135.11694	11.6
136.14163	1.2
137.13243	3.6
143.08548	6.2
145.10139	22.3
147.04422	100.0
147.11705	16.5
149.13303	6.9
153.09059	1.5
155.08539	2.1
156.09436	2.6
157.10130	7.2
159.11728	19.8
161.13303	7.2
163.07538	1.8
163.11182	1.8
163.14838	5.1
165.05490	23.8
169.10095	2.8
171.11717	7.7
173.13298	10.7
175.14865	13.1
177.16364	9.7
179.14325	1.6
183.11725	3.6
185.13251	10.0
187.14812	15.9
189.16417	17.9
191.14616	1.2
191.17999	3.4
195.11668	1.6
195.67892	1.2
197.13269	3.0
199.14830	12.4
201.16385	24.2
203.14241	3.4
203.17960	9.0
205.15877	5.7
206.65131	1.7
207.17464	4.5
209.13252	3.0
211.14896	6.4
213.16402	10.5
215.17903	6.1
217.19597	2.2
218.46948	1.2
219.17529	2.8
223.14809	1.8
225.16425	1.5
227.17903	1.5
229.19525	1.6
231.13728	1.3
231.17506	2.5
233.15424	3.6
239.18004	3.6
241.19614	1.6
243.21378	1.5
245.15402	4.4
247.17001	3.9
249.14893	5.3
251.17976	1.7
253.19597	4.3
259.16995	4.2
267.21094	1.9
299.20166	2.3
307.24100	2.4
353.24518	2.6
363.30334	1.5
379.26617	1.6
389.31900	6.5
391.33609	2.0
407.33170	14.0
409.30936	17.6
425.34000	2.2
435.32654	31.3
453.33612	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	635.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.0
63.86372	3.2
65.03957	4.8
65.14915	2.8
67.05510	9.5
69.07046	5.8
69.32018	20.5
69.32430	6.1
75.71329	3.0
79.05488	9.1
81.07066	13.8
82.81202	3.2
83.08604	11.7
90.08118	2.9
91.05495	19.2
93.07043	11.9
95.08618	25.5
105.07053	16.9
107.08600	26.8
109.10165	13.4
117.07003	4.2
119.04952	25.9
119.08598	28.5
121.10152	22.3
123.11726	7.1
131.08588	12.6
133.10153	20.1
135.11699	16.1
143.08559	6.6
145.10150	15.9
147.04417	100.0
147.05551	6.2
147.11703	13.8
149.13263	7.4
157.10179	6.3
159.11734	14.1
161.13269	8.8
163.07603	3.5
163.14845	7.9
165.05542	16.7
171.11674	5.4
172.97404	2.9
173.13263	10.7
175.14877	10.5
177.16435	6.3
185.13290	13.0
187.14877	17.5
189.16403	12.5
191.17894	5.9
199.14862	7.4
201.16342	24.6
203.14381	5.9
203.18010	16.5
205.15895	8.7
207.17505	8.5
211.14992	5.0
213.16467	7.3
215.17949	4.9
227.18013	3.3
245.15538	5.1
249.14879	6.3
341.44629	3.2
389.32132	7.2
407.32968	15.0
409.30905	7.0
435.32623	17.6
453.33572	10.6
641.43640	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	635.2868
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
61.79361	0.6
64.43495	0.5
69.81744	3.2
81.07065	0.9
90.43274	0.5
91.05437	0.8
95.08614	0.9
98.21528	0.8
162.88789	0.6
237.14006	0.6
387.16180	0.8
389.17847	1.6
401.17770	1.3
402.18433	1.6
403.19330	4.1
404.20026	1.8
405.20804	1.6
415.15088	1.1
415.19894	1.2
416.16129	1.8
416.20694	1.3
417.16840	2.5
417.21765	4.5
418.21655	2.4
419.22308	3.8
429.17087	1.7
430.17764	4.0
431.18100	7.8
432.19321	2.4
432.24011	1.3
433.24112	5.5
434.24515	0.7
443.18677	2.1
444.19620	2.5
445.20120	12.7
446.21039	2.5
447.21609	5.0
457.20264	1.8
458.21298	1.9
459.21924	11.6
460.22583	13.1
460.28442	1.1
461.23468	9.9
471.22247	0.9
473.23630	2.3
487.25174	1.2
488.22351	1.3
489.23141	0.9
503.21097	0.7
505.22116	4.1
517.22473	2.0
518.23364	1.3
519.23376	4.2
520.24432	0.9
531.24042	3.6
532.24481	0.9
533.25745	1.2
546.26086	3.1
547.27106	23.9
548.27686	1.4
575.26434	2.6
577.24329	3.4
578.25452	1.1
591.25952	3.6
605.26831	0.8
606.28394	18.2
607.29138	35.1
608.29333	0.8
617.27667	0.7
635.28674	100.0
636.28638	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	635.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87466	0.4
59.87497	0.4
65.03936	1.0
66.04718	0.5
69.15022	3.7
69.15434	0.9
70.63445	0.4
75.23567	0.4
91.05475	0.8
94.04177	2.0
98.20666	0.7
101.27796	0.5
107.04990	0.5
115.05457	1.1
117.07054	1.1
122.03676	5.9
124.47420	0.4
137.05986	100.0
138.06322	0.6
143.04924	3.4
145.06497	2.2
151.03899	2.0
153.05545	0.7
155.06107	0.7
161.06021	0.5
167.07060	9.0
171.06592	0.6
173.05998	3.3
175.07570	1.0
181.04971	16.0
203.07031	1.6
205.08598	2.3
221.08131	0.6
233.08128	1.3
235.09729	1.8
357.13293	6.9
369.13474	0.6
387.14401	70.7
388.14777	1.2
428.35611	0.4
589.42535	0.4
595.73932	0.4
620.57849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03934	0.5
53.87439	0.4
65.03943	0.7
65.87055	0.3
67.05510	0.5
69.03434	0.6
70.70474	0.9
79.05495	0.8
81.03407	0.4
81.07063	0.4
85.02888	0.6
91.05480	0.7
94.04186	1.4
103.05470	0.4
107.04958	1.1
107.08578	0.4
115.05470	1.5
117.07031	1.2
119.04987	0.3
119.08577	0.6
122.03645	5.5
123.04426	0.7
131.33969	0.3
135.04448	0.3
136.63664	0.4
137.05986	100.0
138.06372	0.8
142.23003	0.3
143.04915	2.8
145.06462	1.7
148.62378	0.4
151.03914	2.2
153.01836	0.5
153.05469	0.8
155.06088	0.7
157.10034	0.5
167.07047	8.2
171.04350	0.5
171.06676	0.5
173.06003	3.4
175.07558	1.8
177.05527	0.4
181.04970	14.1
203.07074	1.1
205.08611	2.2
233.08148	1.7
235.09656	1.5
262.12408	0.4
287.05435	0.7
297.14432	0.4
357.13370	6.3
369.13330	0.5
387.14420	63.2
388.14902	0.9
512.30017	0.4
595.82678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.2
56.24744	0.5
57.07081	0.9
67.05515	2.4
67.05862	0.7
69.07085	1.3
71.08640	0.9
79.05499	1.3
81.03424	1.5
81.07063	2.3
83.05032	0.7
83.08606	1.1
90.80142	0.6
91.05501	1.6
93.07050	2.0
93.39545	0.6
95.04991	0.8
95.08627	2.1
105.07062	1.4
107.08617	1.3
107.50967	0.8
109.10144	0.8
114.84256	0.7
119.08600	1.1
129.07004	0.9
131.08582	0.6
133.10182	0.8
138.92506	0.6
149.13356	0.7
149.77672	0.6
209.10777	1.1
221.10776	0.9
223.12308	0.8
227.12660	0.6
228.95918	0.6
230.61195	0.7
235.12399	0.8
237.14040	0.8
261.46121	0.6
389.17728	0.9
401.17850	0.8
402.18597	1.4
403.19186	2.9
404.20282	1.2
405.21094	1.6
416.20529	1.0
417.16150	1.1
417.21457	3.5
418.21909	1.2
419.22534	1.0
429.16876	1.0
430.17990	1.9
430.22784	0.8
431.18195	6.4
432.19635	1.7
433.24631	3.0
444.19257	1.4
445.20023	6.8
446.21249	2.3
447.21539	0.8
457.20065	1.2
458.21680	0.8
459.17380	1.8
459.22308	2.5
460.22885	4.5
461.24103	3.2
473.19638	1.3
474.20615	0.8
475.21677	0.9
488.22183	2.9
489.23123	5.6
501.23346	1.6
515.24701	1.1
517.22614	0.7
518.23004	1.2
519.23712	0.9
523.39893	3.8
531.36566	0.7
532.25000	0.7
533.21625	1.1
547.27393	7.8
575.26617	23.6
576.26837	0.7
601.67169	0.7
603.26050	1.0
607.29327	0.9
635.28668	100.0
636.29059	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	634.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71849	0.4
55.05495	0.5
57.03418	0.5
67.05506	2.8
69.07055	0.6
69.58736	2.8
70.30933	0.4
75.87073	0.4
79.05466	1.5
81.03416	0.5
81.07050	1.4
89.06053	0.5
91.05461	1.4
93.07014	1.7
95.08597	1.6
97.06492	0.6
97.21535	0.4
98.98453	1.6
99.04382	0.4
105.07050	0.7
107.08562	0.8
109.10141	1.2
117.07011	0.6
118.06564	4.2
119.08578	1.2
121.10133	0.5
123.35062	0.5
125.00017	6.4
131.08516	0.5
132.08089	1.9
133.08696	0.8
133.10088	0.4
134.09515	0.6
136.87361	0.4
144.08084	12.1
145.08864	0.5
145.10114	0.9
146.09633	1.8
158.09610	5.0
159.10396	1.6
159.11661	0.8
160.11255	0.7
162.09131	2.3
171.11710	0.4
172.11247	3.9
173.12086	0.5
176.10695	1.2
176.14346	22.7
177.11441	0.7
190.12276	1.1
202.15916	100.0
203.16196	1.1
220.16972	88.0
221.17276	1.3
274.51666	0.4
296.86331	0.5
300.13605	64.8
371.70251	0.5
374.17545	0.6
483.50119	0.4
616.37396	5.4
634.38678	24.1
635.39154	1.3
663.62634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	2.1
70.67931	1.9
75.82338	0.6
79.01878	4.1
81.03394	1.9
85.02895	1.3
91.05504	0.9
97.02879	2.3
98.48553	0.7
103.05469	1.7
107.01355	0.9
109.02880	1.7
119.04922	1.0
125.02356	1.8
127.03934	5.0
131.04884	0.8
143.03413	5.0
147.04411	1.5
153.01842	72.8
153.02916	4.8
154.02269	0.6
157.02866	1.4
175.03951	1.6
185.02354	1.5
187.03931	4.9
191.03470	0.9
193.05086	0.7
203.01787	0.7
203.03407	4.4
213.01848	3.1
215.03407	2.9
231.02893	18.1
241.01311	2.7
247.02376	0.7
259.02396	31.9
259.05219	1.5
260.03046	0.8
275.01929	0.9
276.02649	0.8
277.03445	100.0
285.00424	0.7
287.05716	0.7
292.86841	0.7
303.01425	9.6
315.07202	0.7
321.02472	1.3
429.03745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3789
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
50.87693	1.1
51.36008	1.2
51.89911	1.6
55.05503	4.5
57.07076	2.2
65.03941	2.1
67.05503	7.0
69.03391	1.2
69.07062	6.0
69.22709	2.9
69.23112	10.6
75.16382	1.1
77.02292	1.2
77.86102	1.3
78.90762	1.3
79.05477	6.2
81.07062	10.7
83.08598	5.0
87.85033	1.2
91.05491	20.2
93.07047	14.0
93.22524	1.3
95.04970	3.2
95.08616	21.3
97.10149	1.4
97.86735	1.2
98.21518	3.4
99.08135	1.8
105.07034	21.1
107.04939	1.4
107.08598	19.3
109.06526	1.4
109.10156	16.1
115.47161	1.2
117.06989	3.7
119.04945	28.1
119.08595	28.4
121.06551	1.8
121.10161	19.4
123.04475	1.7
123.08036	2.1
123.11712	5.0
125.09660	1.5
126.06423	1.4
129.07010	2.9
131.08575	14.5
133.10139	18.8
135.08057	2.3
135.11702	10.8
137.09630	2.1
137.13223	2.8
141.06946	2.1
142.07799	2.4
143.08601	8.4
145.06519	1.6
145.10133	21.9
147.04419	100.0
147.11716	7.4
149.09610	1.7
149.13229	7.9
151.07614	2.4
151.11157	1.3
155.08548	3.5
156.09396	1.7
157.10156	8.7
158.10841	1.6
159.11711	20.8
161.13263	6.5
163.11247	7.2
163.14854	3.5
165.05505	7.9
168.09354	1.8
169.10153	4.0
170.10912	1.7
171.11752	7.4
172.34073	1.4
173.09608	1.6
173.13261	19.9
175.14862	9.1
177.12752	3.2
177.16385	3.9
181.10126	3.0
183.11703	12.8
185.13242	11.6
187.11333	1.5
187.14827	23.4
188.72235	1.3
189.12785	1.5
189.16360	5.9
191.17940	1.7
195.11652	1.9
197.13245	3.5
199.11165	1.6
199.14864	13.9
201.12756	18.6
201.16373	11.9
203.14340	2.6
203.17960	3.4
205.12202	5.1
205.15891	8.4
209.13261	3.6
211.14818	4.3
213.16391	3.5
215.14278	1.7
215.17970	3.1
217.12349	1.4
217.15811	2.5
219.17354	1.8
221.13208	1.6
221.15224	2.9
223.14845	1.6
225.16341	1.9
227.18054	1.7
233.15302	1.5
245.15390	1.7
247.13278	10.8
249.16414	1.4
251.18047	1.5
257.15472	1.5
259.17078	1.5
377.95486	1.3
387.30270	3.0
389.31769	1.5
393.27838	1.7
405.31653	11.2
407.28986	1.9
407.33655	1.9
423.32510	5.3
433.31091	9.1
451.32272	7.7
469.33130	1.4
545.08118	1.5
586.40942	1.4
612.98193	1.3
615.36774	4.7
633.36005	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.226
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
58.31324	0.7
67.01383	0.6
71.49962	0.7
81.06820	0.7
105.07289	1.0
107.21384	0.6
111.79835	0.6
114.12690	0.6
241.22774	0.7
396.12460	1.1
397.13358	2.3
398.14087	1.5
399.14999	1.9
400.15836	0.9
409.13406	0.8
410.13812	3.7
411.14587	9.2
411.19229	0.7
412.15268	5.9
413.16046	4.2
414.17297	0.8
423.15097	2.2
424.11035	1.4
424.15964	3.3
425.16229	17.9
426.16931	10.7
426.21918	0.9
427.17633	3.9
428.18613	3.9
438.12537	5.5
439.13538	20.8
440.13855	1.4
440.19257	9.0
441.19305	40.9
442.20084	2.0
452.14615	4.5
453.15424	26.1
454.15674	6.2
455.21960	0.9
456.18655	1.5
463.14117	1.0
465.15897	1.0
466.16739	0.7
467.17200	30.5
468.17899	22.2
469.18985	12.4
470.19846	0.8
471.16858	1.5
481.14642	13.3
482.16110	3.2
483.16312	1.0
484.21970	3.2
485.18680	2.9
495.15964	3.5
496.17099	26.5
497.17331	3.1
498.19067	2.3
500.20651	5.1
509.18613	1.5
512.21008	3.3
513.22040	4.9
514.22632	1.0
523.19794	1.1
527.19446	0.9
528.19897	1.8
541.20856	44.5
542.21204	2.3
554.17523	1.2
569.20306	100.0
570.20612	7.1
573.23334	1.9
597.19611	29.3
598.19965	1.0
600.22455	1.4
601.22943	13.8
615.20380	0.7
629.22034	80.8
630.22424	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	629.2724
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
69.25127	2.4
69.25552	1.9
72.03643	0.4
75.69460	0.5
83.28204	0.5
89.06007	2.5
98.20797	0.8
133.08615	0.8
141.15941	0.5
159.78232	0.5
263.62323	0.6
356.83923	0.6
488.05460	0.6
502.20245	0.5
629.27332	100.0
630.27411	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
54.01711	0.9
54.61945	0.9
54.85442	1.0
55.01875	40.2
65.03931	3.5
67.05504	2.5
69.03414	1.5
71.49004	1.7
73.02925	0.9
78.04694	1.1
79.05474	3.4
79.30596	0.8
81.03431	1.3
81.07043	1.5
85.02892	2.4
91.05484	5.7
93.03409	2.0
93.07040	1.9
93.10998	0.9
94.04189	2.2
95.04967	4.4
97.02900	3.2
97.06537	1.7
103.05477	16.0
105.06988	2.6
107.04979	6.5
107.20167	0.8
108.02078	1.1
110.03661	2.2
111.04422	1.4
115.05450	3.4
117.03378	1.0
117.07020	5.6
119.04937	4.4
121.06518	4.7
122.03691	4.9
123.04430	4.1
124.05209	1.8
125.05985	2.3
131.04932	21.7
133.06496	3.9
135.04405	2.8
135.08060	1.7
137.05988	84.3
140.04636	1.3
142.02615	1.1
143.04858	1.0
145.02859	1.4
145.06490	9.0
147.04425	8.8
148.05103	1.0
149.05997	4.3
151.03925	14.2
151.05022	1.3
151.07520	1.1
153.01839	2.0
153.05450	4.5
155.04840	0.9
155.05937	1.7
155.07014	2.8
159.04457	5.4
160.05209	1.1
161.05965	6.2
163.03958	5.9
163.07558	9.8
164.04263	2.3
167.07043	31.8
171.06563	1.9
172.05151	1.1
173.06032	8.3
175.03911	3.3
175.07516	2.7
176.04597	1.2
177.05490	13.2
179.07030	5.2
181.04965	56.9
189.05475	3.7
190.06425	1.0
191.07065	16.6
193.08601	2.2
194.05780	3.7
196.07390	1.3
201.05441	2.0
203.07036	1.5
205.08601	3.7
207.06537	6.9
208.07291	2.9
209.08134	8.5
219.06540	9.7
219.63884	0.9
221.08153	5.1
223.05962	1.8
223.09644	7.7
233.08087	7.1
249.07487	1.6
251.09171	48.2
287.05450	1.2
289.10730	12.1
303.04916	1.7
305.05377	1.6
371.11038	1.2
373.12988	5.7
385.12927	1.5
403.13907	100.0
404.14081	1.5
433.15018	1.2
629.20520	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
53.03944	4.9
55.01878	12.4
55.05513	1.2
55.39598	1.0
65.03944	9.2
67.05490	4.0
69.03433	6.1
69.07066	1.4
70.61893	1.9
70.62264	2.3
71.01353	1.7
78.04711	1.6
79.05495	7.5
81.03403	2.6
81.07042	2.5
82.04189	4.1
85.02908	4.4
90.04754	1.2
91.05476	13.4
93.03437	5.1
93.07054	1.6
93.75217	0.9
94.04204	1.8
95.04971	10.8
95.08612	1.5
97.02914	5.6
97.06540	1.8
99.04445	3.2
103.05466	29.2
105.03416	2.4
105.04477	1.7
105.07038	12.2
106.04157	1.6
107.04962	17.3
108.02082	2.2
109.06505	4.4
110.03653	4.5
111.04459	2.6
115.05458	7.4
117.07029	3.5
119.04938	10.6
119.08575	3.2
121.02855	2.3
121.06500	2.7
122.03638	2.5
123.04438	14.1
124.05209	4.8
125.06013	7.1
127.03897	1.4
128.06232	1.6
129.05478	1.5
129.07001	1.7
131.04935	53.9
132.05794	1.3
132.75420	1.2
133.02821	3.2
133.06506	14.3
133.10123	1.3
134.03618	1.5
135.04420	4.9
135.08098	1.7
137.05988	28.1
138.03125	2.4
139.07570	2.0
140.04704	2.7
142.02634	3.3
143.04871	3.1
145.06517	5.9
146.03595	1.6
147.04428	14.3
147.08026	3.5
147.11707	1.3
148.05183	1.6
149.05965	4.3
151.03912	38.0
151.04977	2.5
151.07541	4.6
152.04634	2.6
153.01820	1.7
153.05481	12.8
154.06281	1.2
155.07019	4.2
157.06557	1.7
159.04424	7.4
160.05151	4.2
161.05995	21.2
163.03891	4.2
163.07521	12.8
164.04716	1.5
165.05493	7.4
165.06700	1.4
166.07735	1.0
167.07048	100.0
168.07578	1.4
171.06543	1.5
173.06017	4.7
174.06758	1.1
175.03905	1.5
175.07539	6.6
177.05536	5.4
179.07057	16.0
180.07777	2.4
181.04964	92.0
183.06578	2.4
187.03960	5.0
189.05489	15.2
191.07016	4.7
192.04225	1.4
193.04935	4.8
193.06729	2.1
193.08585	11.5
195.06548	1.4
197.05974	1.1
197.08098	2.3
201.05446	1.3
203.07047	11.7
205.08604	2.7
206.05809	1.8
207.06537	57.5
208.07376	5.0
217.08400	1.2
219.06526	35.6
219.08620	1.8
220.07228	2.0
221.08101	57.4
225.07585	11.3
226.08423	2.2
233.08162	6.1
234.06696	1.1
235.07509	1.9
235.09624	2.7
237.07474	2.6
238.16441	1.1
242.05846	1.4
249.07594	7.8
251.06889	1.2
251.09146	6.6
257.08124	2.7
263.06876	1.5
265.08658	1.3
279.08682	6.2
283.09302	1.4
285.07672	2.0
289.10684	6.1
297.11307	1.5
307.09601	2.5
309.07532	1.6
311.09064	3.5
317.10162	4.3
323.09207	2.5
324.09698	1.4
324.78894	1.1
339.08627	1.6
343.11761	10.9
353.10007	3.1
355.11743	3.6
371.11279	3.6
373.12845	1.5
385.12924	3.1
401.12210	3.2
402.13141	9.3
403.13925	21.0
415.13712	2.0
433.15158	2.4
599.21307	18.1
615.42023	1.2
629.31830	1.2
645.82959	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21764	1.4
53.03952	9.5
55.01873	12.3
55.05513	37.7
57.03435	8.9
57.07067	3.9
59.94213	1.4
65.03942	5.6
65.09153	1.8
67.05507	98.1
69.03448	3.4
69.07072	31.1
71.04992	4.9
71.33533	1.8
79.05496	68.7
81.03422	3.7
81.07057	100.0
83.04984	8.1
83.08620	18.6
85.06551	4.1
91.05486	59.6
91.15127	1.5
93.07046	64.2
95.04951	8.4
95.08607	57.6
97.06534	12.6
97.10155	8.8
98.21520	4.2
103.05479	2.0
105.04498	3.4
105.07031	48.7
105.07697	3.0
107.04964	12.4
107.08595	43.7
109.06505	7.9
109.10170	29.9
109.10857	2.7
111.08096	3.6
111.67983	1.7
115.05479	1.9
117.07014	19.5
119.08582	38.7
121.06518	2.5
121.10159	32.1
123.08107	6.0
123.11699	11.5
125.09665	7.7
128.06236	1.9
129.06989	8.5
129.53421	1.8
130.07755	1.9
131.08571	27.6
133.10129	29.1
135.08095	6.5
135.11671	13.7
135.98668	1.5
137.09679	4.6
142.07834	2.4
143.08586	9.1
145.10109	20.6
147.08049	3.2
147.11688	20.4
149.09601	11.5
149.13338	9.1
151.11267	2.9
155.08594	3.7
157.10156	11.1
159.11700	15.8
161.09700	3.3
161.13261	11.5
163.11252	7.4
163.14835	3.9
165.12776	5.0
169.10158	6.1
171.11703	8.3
173.11938	3.4
173.13318	10.2
175.11214	2.0
175.14841	4.0
177.12820	3.1
181.10196	2.3
183.11780	4.5
185.13333	6.4
187.14917	6.2
189.11211	3.4
189.16379	3.1
197.13286	3.9
199.14931	5.2
201.16417	4.6
205.12367	1.8
211.14914	3.0
215.17972	1.7
227.12885	6.6
229.19623	4.0
229.45419	2.0
239.18097	3.5
241.19527	2.4
247.20656	3.0
257.19012	8.5
259.20648	3.9
261.22275	7.0
267.15988	2.7
275.20084	54.1
277.21780	4.0
293.21280	6.9
303.04916	2.3
317.24899	2.4
335.25833	23.0
349.23703	21.3
351.25488	2.7
367.30118	2.3
515.37671	2.7
517.40948	3.1
529.38855	4.5
535.41956	5.7
553.42517	5.1
567.25378	2.5
609.45215	39.5
622.23975	1.8
627.36914	3.1
627.46375	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.6
55.01883	12.8
55.05515	37.8
57.03438	7.2
59.04991	2.2
65.03945	6.3
67.05509	87.5
69.03442	3.0
69.07071	28.6
71.04991	5.5
74.45319	1.8
75.84251	1.7
79.05497	71.5
81.03432	3.7
81.07062	100.0
83.04981	5.7
83.08626	13.9
85.06551	5.3
91.05489	53.1
93.07047	72.7
95.04974	7.5
95.08615	58.9
97.06526	17.4
97.10176	9.8
99.08121	3.4
103.05501	2.3
105.04554	2.8
105.06315	2.7
105.07037	56.4
107.04975	11.8
107.08611	49.2
109.06544	8.3
109.10162	28.5
111.08113	5.5
117.07020	20.4
119.08586	35.7
121.06526	3.9
121.10158	31.5
123.08083	8.1
123.11729	9.9
125.09659	7.4
129.07028	7.6
129.73820	1.7
130.07777	2.7
131.08592	27.9
133.06528	2.1
133.10144	29.1
135.08081	5.4
135.11710	17.0
137.09637	5.8
139.11230	3.3
143.08553	10.7
145.10127	28.2
147.11707	24.9
149.09639	14.6
149.13258	9.3
151.11217	4.2
155.08571	3.9
157.10155	10.4
159.11691	19.4
161.09686	2.8
161.13229	8.5
163.11232	8.0
163.14879	2.4
165.12813	4.9
167.08577	2.4
169.10204	5.1
171.11678	9.0
173.11880	3.3
173.13303	12.2
173.65268	2.2
175.14856	5.4
181.10155	2.8
183.11748	6.5
185.13327	5.1
187.13341	1.8
187.14899	7.5
189.11272	4.8
189.12787	2.0
189.16409	3.0
195.11696	2.2
197.13287	3.7
199.14854	4.0
201.16391	3.1
211.14906	3.1
213.16449	3.0
219.17459	2.9
221.13150	1.9
223.14995	2.3
227.12816	5.7
237.55600	1.9
239.18016	4.9
241.19626	3.5
243.21259	1.8
247.20750	3.2
257.19028	8.5
259.20703	5.2
261.22217	6.2
267.16058	3.4
275.20071	62.2
293.21155	5.3
302.48221	2.3
303.05096	2.1
317.24869	2.9
331.22928	2.4
333.24228	2.6
335.25842	26.0
335.29535	3.0
343.26025	1.7
349.23804	19.4
367.30005	2.1
489.36133	1.8
515.37677	2.8
517.40619	4.7
529.38916	2.2
535.41547	2.9
553.42749	4.6
555.39923	2.3
609.45111	36.8
627.30206	2.5
627.46228	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.5
53.03949	6.7
55.00272	1.4
55.01875	17.1
55.05271	2.2
55.05516	26.3
57.03440	17.8
57.07062	2.6
59.04993	1.9
65.03946	3.8
67.05510	90.2
69.03438	2.3
69.07072	33.9
70.07410	1.3
71.04997	4.2
71.08638	1.9
71.50684	1.8
77.03953	1.6
79.05499	69.4
81.03417	6.0
81.07060	100.0
83.04990	7.7
83.08638	10.1
85.06554	3.3
90.23364	1.2
91.05486	67.4
93.07053	63.0
95.01349	4.0
95.04964	9.2
95.08615	65.1
95.09074	1.4
96.40417	1.3
97.06532	26.8
97.10191	4.7
99.04462	1.6
103.05459	1.9
105.04549	4.0
105.07035	62.9
107.04972	15.8
107.08598	35.5
109.06529	15.4
109.10160	21.8
111.08075	4.0
115.05430	2.1
116.55834	1.4
117.07027	17.3
119.08593	40.2
121.06506	2.8
121.10165	21.3
123.04414	1.8
123.08105	7.4
123.11713	4.6
125.09630	3.8
126.12076	1.2
129.07014	5.4
131.08569	29.5
133.10138	35.3
135.08044	5.2
135.11697	13.6
137.09653	4.9
141.06998	2.3
143.08568	4.4
144.52283	1.6
145.10136	22.0
147.11691	18.3
149.09610	5.4
149.13295	8.4
151.11212	2.3
153.12823	1.6
155.08551	2.9
157.10149	3.9
159.11697	14.8
161.13303	5.7
163.11214	3.8
163.14908	2.4
165.09267	1.8
169.10165	2.5
171.11768	4.6
173.13278	6.4
175.14767	2.4
177.12752	3.1
179.14333	8.3
183.11665	3.0
185.13254	2.6
187.11201	1.5
187.14871	1.7
197.13275	3.2
201.16464	3.6
203.14424	3.2
219.17470	69.7
220.88794	1.5
229.19461	2.0
234.13503	1.4
239.17972	2.7
243.20879	2.2
247.20613	2.3
257.19028	5.9
261.22281	2.1
273.18604	1.9
275.20074	70.1
291.19525	7.6
293.21185	5.4
335.25818	93.9
336.26279	1.8
349.23724	18.6
524.82526	1.5
529.38831	2.6
609.45166	53.8
610.45740	1.7
627.46320	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	627.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23774	4.6
53.03956	5.7
55.01873	11.2
55.05515	37.0
57.03434	14.8
57.07080	8.3
58.06603	4.8
65.03955	7.8
67.05183	7.7
67.05512	100.0
69.03429	9.5
69.07073	39.3
71.04980	5.6
71.08636	8.6
71.50829	4.9
79.05500	69.5
81.03428	9.9
81.07065	89.0
82.47650	4.4
83.04989	11.2
83.08633	16.4
83.85659	4.3
84.66264	4.0
85.06548	7.2
91.05494	59.1
93.07053	75.8
95.04980	9.1
95.08614	70.5
97.02905	8.0
97.06544	7.3
97.10184	10.9
97.91899	5.0
99.08096	12.3
105.07051	39.8
105.86366	4.7
107.04954	11.1
107.08606	39.9
109.06539	12.3
109.10178	23.0
117.07025	15.2
119.08598	32.9
121.06501	9.1
121.10171	27.1
123.08073	8.6
123.11710	6.9
125.09614	7.5
131.08588	23.4
133.10175	27.7
135.11717	13.3
141.27730	4.6
141.28838	5.1
143.08606	6.0
144.04619	5.2
145.06538	4.4
145.10127	11.6
147.08122	4.3
147.11693	7.9
149.09637	9.3
149.13269	9.6
157.10071	5.4
159.11681	10.2
161.13220	6.8
173.13271	9.6
191.08842	4.6
201.16304	5.5
219.17458	84.9
219.19418	7.7
223.13280	10.8
257.19128	6.1
275.20096	36.0
282.97433	4.3
291.19592	52.2
293.21164	48.2
308.42313	4.2
335.25879	47.4
343.41116	4.8
349.23712	12.5
549.34326	5.1
563.93536	5.8
609.45294	37.4
627.46222	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2818
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
67.05509	1.7
69.07050	1.3
91.05525	1.6
105.07050	1.3
107.08559	1.6
118.06541	0.9
129.07103	0.9
131.07262	0.9
136.07617	2.1
159.09235	1.0
174.09177	4.2
187.12360	3.3
188.10745	2.7
197.10756	1.2
199.08623	1.1
212.09627	1.1
213.10172	1.0
215.11845	2.3
223.08759	1.3
224.09404	2.3
225.10223	4.0
227.11838	3.1
235.52966	0.9
237.10277	1.3
239.11917	3.4
241.13435	3.1
243.11304	22.7
243.13632	1.2
249.10307	1.6
251.11855	1.7
253.09769	2.2
261.16983	1.0
263.11816	1.8
267.11319	8.4
269.12894	3.6
277.09842	2.3
285.12314	2.8
295.10867	3.2
301.15485	4.5
302.12988	1.6
304.10739	1.3
309.12527	1.9
314.13074	2.5
315.13867	1.5
316.10999	1.0
317.11789	1.1
323.80545	1.0
325.15463	9.5
326.13068	1.2
327.13474	7.9
328.10812	2.6
328.14417	2.3
329.11835	1.7
330.12408	3.0
330.16003	1.5
336.13431	1.0
342.12534	3.9
343.13327	4.0
344.13940	3.6
344.17636	1.5
346.15591	2.1
348.13605	3.3
356.13983	3.4
357.14932	2.1
358.15421	3.8
360.17258	1.0
370.15717	2.8
371.16299	1.8
372.17206	3.6
374.18939	1.2
386.14786	1.7
386.19125	1.6
398.15103	1.8
400.16736	2.2
406.15765	1.1
412.16754	1.5
419.18649	1.5
421.16727	1.2
422.17670	1.2
430.17773	1.3
431.18579	1.2
432.19275	3.6
433.19388	1.0
436.19427	1.1
437.19879	1.3
446.20505	1.2
447.22238	1.5
450.16272	1.5
451.21854	1.3
460.18680	2.2
461.23709	2.0
462.24689	1.8
463.21353	3.6
465.18826	12.6
478.20139	1.6
479.20395	5.6
480.21567	3.5
481.22339	3.8
489.23236	1.7
491.20782	1.8
492.21490	3.3
493.22296	3.5
495.16516	1.4
504.21500	2.6
507.24002	3.9
508.21112	1.3
517.22101	1.3
535.23584	6.1
536.24463	1.3
540.23383	1.5
541.23865	2.0
549.24835	12.5
550.24323	1.3
553.24670	2.1
563.22772	1.7
567.26093	68.8
568.26056	1.3
577.24640	2.5
577.42377	0.9
595.25519	50.1
604.17206	1.0
627.28131	100.0
628.29187	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2813
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
54.01777	0.3
64.84286	0.4
70.29800	1.1
80.72007	0.4
81.07049	0.5
88.08407	0.3
95.08646	0.5
105.07025	0.5
105.80701	0.4
115.98524	0.3
119.08591	0.5
133.10155	0.4
193.44537	0.3
200.03391	0.4
207.99246	0.4
216.26074	0.3
221.64958	0.4
303.05328	0.6
377.17667	1.0
379.19214	1.0
390.18259	0.4
391.14954	0.5
391.19351	1.2
392.20135	0.7
393.20987	1.8
395.22467	0.6
405.16730	2.9
406.17984	1.1
407.17892	0.8
407.19223	0.5
407.22665	3.6
408.23328	0.6
418.17572	0.4
419.18549	3.7
420.19366	2.5
421.16183	0.4
421.20273	3.9
422.20944	0.9
423.21823	1.3
433.20493	4.2
434.21387	3.3
435.21954	6.6
436.22903	0.8
437.18796	0.5
447.22003	1.2
448.18729	0.8
449.19528	6.1
453.23080	0.5
462.20776	0.7
463.21051	2.8
464.22321	1.7
465.18588	0.5
467.24658	0.9
475.20828	0.4
477.23190	0.7
479.20163	2.1
480.21112	0.4
481.22238	2.4
491.24103	0.5
493.22662	1.4
494.22980	2.5
495.23947	2.8
507.24152	11.1
508.25119	0.5
509.25418	0.8
521.20862	0.4
537.25159	0.5
539.22534	2.5
549.25330	1.4
567.26141	19.0
568.26685	0.8
609.26569	0.6
627.28137	100.0
628.28619	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1557
Annotation	Quercetin 3-galactosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03952	1.1
57.03420	1.3
61.02923	1.8
69.03413	3.4
71.49373	1.0
81.03434	4.8
84.08175	1.4
85.02912	13.7
86.09783	1.3
89.03939	3.9
91.03962	1.0
97.02892	4.4
109.02882	2.5
117.03368	5.6
121.02869	1.0
127.03966	2.6
130.36432	0.9
135.04422	9.5
137.02361	6.5
137.06020	1.3
145.02859	6.8
145.04941	3.1
147.04402	1.3
153.01826	4.2
163.03908	57.9
163.11261	1.2
165.01880	2.8
177.05463	1.5
181.04948	1.0
183.02957	1.4
201.05498	2.3
229.04959	4.1
257.04483	5.9
285.03931	1.8
299.05353	1.4
303.05005	100.0
304.05197	1.5
307.08231	3.3
345.06067	1.8
361.04422	1.2
363.19986	1.0
547.32446	0.9
627.06390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
61.02658	0.3
61.02937	3.9
64.82646	0.3
68.99805	0.4
69.03422	0.9
73.02911	1.2
73.40093	0.3
81.03408	0.5
85.02913	3.7
88.58969	0.3
91.03956	2.1
97.02902	1.8
109.02859	0.3
111.00825	0.6
121.02868	0.7
127.03920	1.1
135.28766	0.3
137.02382	2.5
140.52287	0.3
145.04977	0.5
149.02394	0.4
153.01831	2.8
156.26550	0.3
163.03972	0.5
165.01863	2.4
166.02673	0.4
173.05994	0.4
183.02916	0.9
187.03966	0.4
201.05457	1.9
215.03236	0.4
219.06519	0.3
229.04985	3.2
247.06190	0.4
257.04532	2.7
274.04675	0.6
285.04044	0.9
303.05020	100.0
304.05383	1.3
465.10370	9.5
623.61383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01869	0.5
57.03432	0.4
61.02932	1.0
64.16482	0.1
65.03952	0.2
66.33715	0.1
68.99805	0.6
69.03436	2.0
70.84068	0.3
71.04994	0.2
73.02907	0.2
81.03420	1.1
85.02911	6.3
89.81259	0.1
91.03967	0.2
95.04948	0.2
97.02898	2.1
97.10345	0.2
99.04449	0.4
109.02894	0.8
111.00819	0.8
118.76682	0.1
121.02850	0.8
123.04434	0.2
127.03940	1.1
137.02341	3.2
137.03323	0.2
145.04964	0.9
149.02341	0.4
153.01834	3.2
155.04872	0.2
163.03946	0.4
165.01860	1.8
166.02721	0.2
173.05991	0.4
177.05539	0.2
183.02916	0.8
183.04341	0.2
187.03902	0.4
191.03505	0.3
195.02939	0.2
201.05467	1.5
219.06738	0.2
229.04980	3.4
234.68282	0.2
236.90016	0.1
247.06062	0.5
257.04474	2.9
274.04791	0.8
275.05502	0.2
285.03934	1.3
301.33157	0.2
303.05005	100.0
304.05408	1.4
315.04950	0.2
465.10367	5.8
466.10580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1349
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
53.03938	0.6
54.25619	0.4
57.40694	0.4
58.41212	0.4
61.38694	0.4
63.02375	0.6
68.99797	0.5
69.03432	0.9
69.61708	2.6
71.22339	0.3
77.02048	0.4
79.05533	1.0
81.03409	1.7
85.02898	1.3
86.28395	0.4
89.03926	6.7
97.02890	0.6
107.04958	2.6
109.02866	0.9
113.65453	0.4
117.03391	9.3
120.08083	0.4
121.02925	0.7
121.10122	0.4
127.03948	0.5
131.78888	0.3
135.04433	16.5
137.02356	1.8
137.03419	0.4
137.06023	1.3
145.02856	13.7
145.03999	0.9
147.04390	0.7
153.01828	1.7
163.03918	100.0
164.04291	0.7
165.01854	1.3
165.06905	0.4
173.06061	0.4
177.05484	1.1
178.05730	0.6
181.04971	0.9
201.05453	0.6
205.04752	2.5
212.67213	0.5
229.05026	1.9
257.04550	1.4
285.03867	0.4
287.05389	0.8
297.11221	0.4
303.05023	41.3
304.05356	0.4
307.08200	2.4
325.09167	3.6
332.15808	1.0
345.05997	0.7
365.91879	0.4
627.24023	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
53.46492	2.0
55.01875	22.2
55.05513	23.8
55.70014	1.6
57.03431	7.5
57.07067	2.5
65.03932	2.1
66.48318	1.7
67.05511	59.8
69.03443	2.3
69.07069	51.8
71.04978	3.5
79.05076	3.5
79.05498	48.0
81.03425	8.6
81.07059	56.6
83.04991	10.2
83.08612	13.9
85.06555	4.9
90.54510	1.8
91.05484	50.6
93.07047	48.7
95.01304	1.8
95.04970	8.1
95.08614	41.6
97.06538	24.7
97.10162	8.8
98.21627	3.4
99.08098	3.4
103.05460	2.2
105.04571	2.8
105.07041	57.2
107.04964	8.2
107.08601	31.3
109.06541	9.6
109.10162	17.8
109.39137	1.9
111.08137	1.9
115.05452	2.5
117.07024	22.9
119.08588	42.1
121.06514	3.7
121.10137	16.4
123.08079	5.8
123.11736	5.6
125.09646	4.8
128.06194	2.7
129.07002	16.9
131.08583	35.3
132.09016	2.2
133.10136	29.6
134.10440	2.1
135.08102	7.1
135.11710	15.0
136.62375	1.8
137.09628	3.5
137.13205	2.0
141.06992	5.4
142.07851	3.4
143.08559	18.2
145.06497	2.7
145.10121	33.6
147.08018	3.9
147.11688	17.1
149.09624	8.3
149.13261	6.9
154.07718	2.1
155.08588	12.4
157.10118	21.1
159.08150	2.1
159.11725	24.0
161.09715	2.8
161.13254	12.8
163.11217	5.9
163.14716	2.5
167.08638	4.5
169.10152	14.3
171.10249	3.5
171.11642	22.5
173.09639	2.4
173.13260	16.4
175.11208	5.9
175.14818	5.1
177.12814	3.1
179.08606	2.0
179.14317	5.0
181.10204	8.1
183.11705	13.8
185.13205	10.3
187.11156	3.6
187.14844	8.5
189.12817	2.8
195.11746	9.8
197.13281	9.6
199.11322	3.4
199.14862	6.3
201.12759	2.1
201.16400	3.6
207.11771	2.5
209.13303	7.9
211.14893	5.8
213.16463	4.4
219.11743	2.0
221.13300	3.8
223.14857	6.3
225.16573	4.0
229.19550	3.1
231.21191	2.4
235.14836	3.3
237.16487	2.2
239.18057	5.5
241.19612	8.1
245.19000	2.3
249.16534	2.9
257.19040	6.0
259.20569	14.6
271.20599	2.6
273.18466	8.9
275.20102	21.3
277.21707	3.0
283.20694	3.3
285.22287	2.2
291.19376	3.8
293.21149	2.3
315.23206	4.1
333.24417	9.8
335.25885	3.4
341.25095	2.6
347.22266	2.7
349.23773	17.6
355.25903	2.2
377.28775	2.3
391.19156	3.3
392.19724	2.3
407.22464	3.1
409.30975	3.1
419.33167	2.8
432.02921	2.1
433.20850	4.0
435.32620	4.8
437.34360	7.0
449.16232	6.8
451.21616	6.8
463.17703	5.9
464.18353	2.6
465.19177	3.0
477.19299	3.2
478.20203	12.1
479.20801	8.5
491.20755	4.7
505.22272	2.9
506.23135	2.3
511.37888	7.9
513.35779	7.1
515.39142	5.6
521.25629	3.3
527.37140	10.2
529.38824	2.6
533.40051	11.7
537.25159	2.6
551.40948	6.7
565.24432	27.1
566.24750	3.4
589.42682	2.5
607.43573	45.4
625.26709	100.0
625.44525	82.4
626.27008	15.0
626.44812	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30050	2.2
53.03938	7.6
55.01873	40.1
55.05516	33.9
57.03437	14.4
57.07063	7.0
61.91892	2.5
62.13725	2.2
65.03946	3.6
65.75762	1.9
67.05512	70.1
69.03432	3.4
69.07071	83.8
71.04991	8.4
71.08629	2.6
79.05496	62.1
81.03436	10.4
81.07059	81.4
83.04983	4.9
83.08630	15.2
85.06558	3.2
91.05486	66.6
93.06487	4.6
93.07047	61.1
95.01331	4.8
95.04943	12.7
95.08613	47.7
97.06541	44.2
97.10161	7.2
99.08088	2.6
103.05478	2.3
105.04540	4.0
105.07037	78.2
107.04965	16.1
107.08594	30.2
109.06520	8.0
109.10172	18.0
111.08087	5.1
115.05454	2.8
117.07023	31.5
119.08588	57.1
121.06565	3.2
121.10147	24.9
123.08073	7.4
123.11716	5.2
125.09627	7.9
128.06226	5.8
129.07019	22.1
131.08578	45.0
133.06522	3.8
133.10135	39.6
135.08020	6.2
135.11685	16.5
137.09637	4.2
141.06964	10.7
141.11362	6.3
142.07762	6.7
143.08540	29.7
145.06427	3.6
145.10132	42.8
147.08061	6.1
147.11711	29.4
149.09641	12.8
149.13254	8.7
155.08560	13.6
157.10127	28.0
159.08046	3.8
159.11702	31.7
161.09634	5.5
161.13264	24.3
163.11221	9.5
163.14877	3.0
167.08549	7.6
168.09204	2.7
169.10181	22.6
170.10873	2.5
171.08076	2.3
171.10252	4.7
171.11699	25.4
173.13275	24.6
175.11230	2.7
175.14841	8.6
177.12712	6.2
179.08578	3.0
179.14340	7.6
181.10184	8.1
183.11697	18.2
185.09521	2.8
185.13251	18.1
187.11263	5.2
187.14873	10.0
189.12752	4.8
189.16484	2.2
193.10179	4.7
195.11732	12.1
197.13223	13.4
199.14868	8.4
201.12773	3.0
201.16406	4.1
203.14195	2.8
205.12286	2.6
207.11742	4.6
209.13281	7.7
211.14838	7.2
213.16426	4.5
215.17967	3.3
221.13251	4.8
223.14923	4.4
225.16441	4.7
229.19484	3.2
231.17412	3.2
237.16380	4.5
239.17880	6.4
241.19560	15.7
247.14822	2.3
255.17404	3.3
257.18930	10.6
259.20627	25.5
273.18500	8.1
275.17322	4.2
275.20093	46.0
277.21802	4.8
279.21033	3.6
291.19547	5.3
293.21094	3.6
311.23773	2.7
313.21664	3.5
315.23257	6.0
323.23520	3.0
333.24307	21.9
335.25870	2.7
339.23068	3.3
339.26755	2.5
341.24689	2.3
349.23724	32.3
353.24597	2.6
365.24460	2.8
417.30911	3.0
419.32968	3.3
431.78122	2.4
435.32645	11.4
437.34222	21.4
449.22754	3.0
453.33682	3.1
477.22635	4.9
478.23560	3.4
493.36716	4.1
509.36160	5.0
511.38007	14.9
513.35712	9.2
515.38721	6.0
527.37360	11.0
529.38580	6.4
533.40240	12.7
551.40680	9.2
555.37018	3.4
556.37714	4.9
565.27618	9.3
607.26849	2.7
607.43683	61.7
608.26862	4.7
625.29321	36.3
625.44391	100.0
626.28784	3.1
626.45532	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	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
52.40979	0.7
53.03948	5.8
55.01872	7.0
55.05514	21.4
57.03441	8.2
57.07072	2.0
59.04999	1.3
60.63391	0.8
65.03958	4.4
67.05509	56.6
69.03434	9.1
69.07070	24.7
71.04988	3.6
73.22688	0.8
75.41713	0.8
79.05499	55.5
81.03428	4.6
81.07062	49.8
83.04980	6.2
83.08624	9.2
85.02941	0.9
85.06544	4.8
91.05484	39.5
92.06207	0.8
93.07047	47.9
95.04977	16.7
95.08614	29.2
97.02896	8.7
97.06567	3.8
97.10176	9.3
99.04464	0.9
99.08084	1.1
103.05491	1.8
105.04517	2.3
105.07041	25.1
107.04983	6.0
107.08602	25.2
109.06528	19.7
109.10168	13.8
111.04447	2.4
111.08090	2.7
113.06007	7.4
115.05488	1.7
117.07027	15.1
119.04929	1.0
119.08588	20.5
121.06508	4.7
121.10138	14.4
123.08083	3.5
123.11738	2.6
125.05961	0.7
125.09651	7.0
128.06239	2.7
129.07022	7.0
130.07816	1.2
131.08577	16.0
132.55199	0.7
133.06525	2.7
133.10155	10.5
135.08066	12.4
135.11703	10.1
137.09644	3.0
141.07005	1.9
142.07777	1.6
143.08566	6.6
145.06451	1.6
145.10132	10.3
147.08112	5.2
147.11707	5.9
149.09647	3.3
149.13275	5.4
151.11229	1.8
153.08980	0.8
155.08609	2.6
157.10164	5.1
159.08095	1.5
159.11713	7.5
161.09673	4.9
161.13278	3.6
162.10382	1.0
163.11226	2.7
163.14827	1.7
165.09109	1.9
168.38278	0.8
169.10162	2.5
171.11722	3.6
173.09637	1.3
173.11877	0.9
173.13312	3.1
175.11191	2.4
175.14928	1.1
177.12730	2.4
179.14325	1.1
181.10210	1.0
181.12236	1.3
183.11749	1.8
185.13318	2.4
187.11237	0.9
187.14804	1.7
189.11270	3.2
193.12350	1.2
195.13834	1.9
197.13287	1.7
199.11244	1.1
199.14859	2.2
201.12817	1.1
201.16414	1.0
205.12323	1.8
211.14951	1.0
215.14342	0.9
217.15985	2.8
223.13278	13.9
227.12869	1.0
227.18060	1.1
237.16470	1.0
245.19044	3.9
249.14857	1.5
255.17442	1.9
259.20648	1.3
261.22260	2.6
263.20090	1.1
273.18518	22.4
291.19559	100.0
292.20105	1.4
293.14841	0.9
309.20581	1.0
317.24893	1.7
329.20889	0.9
335.25757	9.6
347.22202	4.9
365.23273	2.3
436.28314	0.8
527.37964	0.8
551.41479	1.1
607.43292	5.1
625.27863	1.6
625.44659	67.2
626.44989	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.9
53.03947	4.2
55.01872	4.3
55.05512	23.3
57.03429	3.6
57.07053	1.6
59.04955	0.6
65.03936	3.5
67.05505	46.6
69.03431	9.0
69.07067	28.4
71.04951	2.8
77.03919	1.0
79.05492	43.4
80.05837	0.7
81.03426	4.3
81.07056	39.4
83.04967	3.3
83.08618	8.5
85.06525	2.0
85.72997	0.7
91.04922	1.4
91.05479	32.9
93.07042	41.8
95.02700	0.6
95.04966	9.2
95.08604	26.5
97.02895	11.1
97.06512	2.6
97.10175	10.3
98.21658	1.0
99.08009	0.7
102.23738	0.6
103.05455	0.9
105.04499	1.9
105.06315	1.0
105.07024	19.1
107.04953	5.2
107.08597	20.7
107.40733	0.7
109.06529	3.7
109.09477	1.1
109.10159	13.8
110.59340	0.6
111.08050	2.6
115.05405	2.0
117.07011	9.6
119.04922	1.0
119.06071	0.6
119.08575	16.4
120.67639	0.7
121.06503	2.2
121.09348	1.0
121.10143	16.0
123.08051	2.9
123.11663	2.4
125.08942	0.6
125.09636	7.7
128.06218	0.8
129.07028	3.9
131.08568	12.1
133.06458	2.6
133.10129	10.4
135.08066	3.3
135.11685	8.6
137.09567	2.1
139.11128	1.2
141.06985	0.9
141.75174	0.7
142.07791	0.9
143.08569	4.5
145.10123	8.8
147.08052	4.4
147.11690	5.3
149.09604	2.3
149.13290	5.0
151.11162	0.8
153.09106	1.7
155.08572	1.0
157.10086	2.5
159.08028	1.2
159.11687	6.0
161.09604	2.9
161.13252	2.6
163.11136	0.9
163.14905	0.9
165.09081	1.4
169.10115	2.1
171.10252	0.8
171.11681	2.5
173.13222	3.3
175.11189	2.1
175.14769	1.6
177.12733	2.5
181.09967	1.0
181.12212	0.7
183.11668	1.3
185.13240	2.8
187.14828	1.7
189.11234	4.1
189.12775	0.9
195.11714	0.9
195.13812	2.2
197.13383	0.8
199.11406	1.0
199.14760	0.9
203.30214	0.6
205.12263	1.6
209.13277	0.8
211.14725	0.9
213.16504	0.9
223.11169	1.5
223.13284	19.9
227.12761	2.1
227.18015	1.5
227.78180	0.7
229.14235	1.0
237.16396	1.0
243.21004	1.8
245.18953	1.6
249.14656	1.2
255.17451	0.8
261.22159	4.8
263.19971	1.1
273.18497	15.0
273.21323	1.4
275.20056	1.0
291.19543	100.0
292.19803	1.8
317.24719	2.0
335.26013	4.0
336.26382	1.0
347.22165	1.8
365.23303	2.2
497.06738	0.8
513.35773	0.7
515.38715	1.0
527.37469	1.0
532.25037	0.7
547.26208	5.5
551.41205	1.3
565.26947	3.1
607.28033	2.5
607.43182	3.9
625.29614	8.8
625.44598	76.6
626.44836	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91595	0.3
53.03950	0.5
55.01867	0.8
55.05516	2.3
57.03426	1.0
59.60732	0.4
67.05508	5.8
69.07061	1.7
71.00292	0.6
71.00647	0.5
75.02394	0.4
79.05494	4.3
81.03415	1.4
81.05424	0.4
81.07056	5.0
83.04993	1.1
83.08601	1.2
85.06530	0.4
91.05484	3.8
93.07041	4.4
93.39355	0.4
95.04967	2.1
95.08616	3.4
96.37286	0.3
97.06514	0.5
97.10194	0.6
98.98466	1.0
105.07062	2.2
107.04942	0.7
107.08585	2.5
109.06530	2.2
109.10115	1.0
113.06004	0.8
117.07010	1.6
119.08575	1.6
121.06497	0.8
121.10156	1.6
123.08031	0.5
123.11718	0.7
125.09634	0.5
129.06982	0.9
131.08543	1.7
132.67648	0.4
133.06516	0.5
133.10159	1.9
135.08064	2.2
135.11707	0.8
137.09584	0.4
143.08556	1.3
145.10165	1.7
147.11717	1.0
149.09650	0.7
149.13226	0.7
151.11188	0.5
155.08611	0.6
157.10168	0.7
159.11687	0.9
161.09641	1.0
164.35153	0.4
171.11694	0.9
173.09630	0.4
173.13268	0.7
178.52657	0.3
185.13249	0.4
187.14862	0.4
193.12289	0.7
217.15884	0.7
261.22116	1.0
273.18475	2.3
285.21558	0.5
291.19589	2.7
301.25632	0.9
335.25906	1.4
347.22070	0.5
377.17783	1.0
378.18311	0.6
379.19287	0.8
390.18890	0.6
391.19312	1.7
392.20007	0.9
393.20612	2.1
403.19434	0.5
404.20520	0.5
405.16467	2.5
405.21133	1.1
406.17834	1.4
407.17816	0.5
407.22675	4.4
417.21307	0.6
418.22296	0.5
419.18073	3.5
419.23267	0.9
420.19363	1.6
421.20163	3.5
423.21362	0.4
431.18820	0.8
433.19940	5.3
434.21021	3.8
435.16461	0.5
435.21866	6.5
436.22400	0.7
437.23380	0.7
445.20255	0.8
446.21069	0.9
447.21985	2.1
448.18549	0.7
449.19241	2.4
450.20355	0.6
451.25214	1.2
452.25684	0.6
453.33502	0.8
460.23044	0.8
461.23367	1.5
463.20972	2.4
464.22183	1.5
465.22937	2.2
466.23840	0.6
471.34637	0.6
477.23029	1.9
478.23639	5.6
479.24957	4.0
491.24689	1.9
492.25012	0.7
493.21188	0.6
493.27286	0.5
505.26270	0.8
507.24951	0.5
509.36212	0.5
521.25543	10.2
523.22906	1.9
527.37396	6.1
533.25677	0.5
537.25287	0.4
547.26935	1.5
565.28131	17.2
566.28687	0.6
581.27600	1.9
607.28973	0.9
625.30219	100.0
626.30127	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
61.20047	0.4
67.05508	1.3
69.07061	0.6
70.99447	0.4
79.05501	0.8
81.03436	0.8
81.07072	1.0
91.05490	0.9
93.07050	1.2
95.08602	0.5
97.06545	0.4
105.07044	1.0
117.06982	0.4
119.08607	0.6
121.10180	0.8
133.10126	0.5
141.56795	0.4
142.60184	0.5
145.10193	0.4
147.11700	0.5
148.36504	0.4
149.24513	0.5
179.89787	0.4
200.66646	0.4
239.82848	0.4
243.00883	0.4
389.17380	0.4
391.19443	0.9
392.20023	0.6
403.19443	0.7
405.20959	1.7
406.21921	0.9
408.23532	0.5
408.94186	0.4
418.17929	1.8
419.17889	2.1
419.23355	0.8
420.18613	0.9
420.23746	3.2
421.24420	0.6
423.22241	0.6
432.18887	2.1
433.20120	6.2
434.21243	1.9
435.22296	1.1
437.23337	1.1
445.19952	0.5
446.21161	1.3
447.21716	4.1
448.22488	2.1
449.19247	3.3
450.20724	0.9
451.25510	2.9
452.25943	0.6
463.20935	3.1
464.22110	1.8
465.22778	3.5
477.22824	3.1
478.23767	7.6
479.24490	9.6
491.24838	3.1
492.25458	1.1
505.26025	1.5
509.21805	0.6
510.26288	0.6
519.23987	0.7
523.22681	2.2
534.26355	1.3
535.26526	0.9
537.25439	1.6
550.25854	0.6
565.28253	27.9
593.27875	0.9
594.28748	0.5
597.30768	0.7
625.30219	100.0
626.30792	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	625.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.05521	3.1
55.05732	0.6
57.03439	1.7
57.91475	0.5
65.03931	0.7
67.05511	8.2
69.07082	4.4
71.49925	0.7
71.50273	1.1
71.53111	0.5
79.05501	7.4
79.07171	0.6
81.03425	2.1
81.06651	0.8
81.07068	8.2
83.04957	1.2
83.08623	1.8
91.05495	7.1
91.56828	0.6
93.07058	5.6
93.60192	0.7
95.04968	2.0
95.08617	6.2
97.06556	2.5
97.10173	1.1
105.07048	6.2
107.04966	1.5
107.08585	4.0
109.06535	1.6
109.10181	2.4
111.08118	0.7
111.25024	0.7
117.07042	3.4
119.08580	5.0
121.06503	0.7
121.10139	2.8
123.08104	1.1
123.11733	0.9
128.06227	0.8
129.07043	2.6
131.08595	3.4
133.06502	1.2
133.10164	3.4
135.08060	1.3
135.11719	1.1
139.11282	0.7
141.06990	0.8
143.08586	2.3
145.06569	0.7
145.10150	3.0
147.11705	1.8
149.09605	1.0
149.13307	0.8
155.08615	1.3
157.10147	2.4
159.11742	1.8
160.05180	0.7
161.09621	0.8
161.13286	0.9
167.08673	0.7
169.10149	2.0
171.11723	2.0
173.13255	1.4
175.11171	1.2
179.08578	0.7
183.11740	1.6
184.07381	1.6
185.13245	1.4
187.14793	0.7
197.13249	0.9
199.61830	0.6
205.12337	0.6
206.66501	0.6
209.13248	0.7
211.14992	0.8
231.20993	0.6
241.19620	1.0
259.20721	0.7
273.15454	0.7
273.18546	3.0
275.20132	2.3
320.42047	0.6
333.24258	1.2
335.25827	1.3
363.16190	0.7
377.17468	1.1
379.19211	0.6
390.18567	0.9
391.19357	1.7
392.19800	0.7
393.20706	0.7
405.16666	1.1
405.21280	1.2
407.22421	2.5
419.18744	1.7
420.19324	0.7
433.20428	3.9
434.21368	1.0
435.22314	1.4
436.19138	1.6
437.19861	2.5
447.22110	0.8
449.15451	4.9
451.21338	7.0
461.19537	0.7
463.17062	6.1
464.18060	2.9
465.19003	3.2
477.18951	3.2
478.19943	8.5
479.20728	8.6
491.21326	3.0
492.21588	1.9
505.22345	1.9
521.25604	2.1
523.20239	1.3
524.23975	0.9
527.37158	1.8
537.24597	1.7
551.40472	0.8
565.24469	29.6
593.24225	0.7
607.43695	4.5
625.26599	100.0
625.43890	8.0
626.26575	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	625.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01863	0.6
55.05506	1.7
58.79880	0.5
67.05513	4.0
69.03422	0.7
69.07054	1.3
69.85506	1.2
69.85910	1.6
79.05495	4.2
81.03397	0.4
81.07062	3.9
83.04977	0.6
86.66485	0.5
91.05475	3.1
92.83918	0.6
92.91477	0.6
93.07041	3.6
95.04953	1.0
95.08598	2.3
95.92483	0.4
97.10189	0.7
105.07026	2.5
107.04948	0.9
107.08592	1.9
108.71725	0.5
109.06486	0.7
109.10162	1.0
117.07029	0.7
119.08578	1.4
121.06561	0.4
121.10105	0.7
125.23727	0.5
129.06972	0.8
131.08609	0.7
133.06445	0.6
133.10153	1.2
135.08005	0.8
135.62494	0.5
157.10257	0.6
169.10155	0.9
185.13306	0.7
193.28746	0.5
209.10799	0.7
217.15553	0.5
221.10670	0.7
225.13745	0.6
273.18582	1.3
291.19592	2.4
312.14926	0.7
313.15680	0.7
326.16916	0.7
335.25949	0.8
340.18243	0.5
375.16293	0.6
376.16870	0.9
377.17896	1.4
378.18701	1.5
389.18079	1.2
390.18591	1.9
391.19064	4.8
392.19904	3.0
393.21155	1.0
403.19611	1.4
404.20096	2.4
405.20721	11.5
406.21713	3.4
407.22421	6.6
417.21097	1.6
418.21576	1.4
419.22610	4.6
420.23245	3.9
421.23871	8.2
422.17599	0.7
422.24756	1.2
424.22705	0.6
431.22992	0.6
433.24527	2.9
434.24698	2.9
435.18298	2.1
436.19012	2.3
437.19409	1.1
445.20389	0.9
446.20886	0.7
447.21753	1.8
449.19818	3.7
449.26904	0.9
450.20663	2.1
451.21320	20.9
452.22159	4.7
460.22577	1.1
461.23465	1.0
463.21088	0.9
464.21893	2.5
465.22876	16.8
466.23669	4.2
473.19910	1.0
475.24902	1.8
476.21750	0.9
477.22702	1.5
477.26910	0.6
478.23773	1.9
479.24036	2.4
487.21481	1.3
488.22031	1.0
491.20892	1.7
492.21954	2.1
493.26074	14.8
494.26569	2.2
501.23013	1.1
503.24576	7.2
504.24829	1.2
509.21954	4.0
519.24219	1.2
521.25629	9.2
522.25568	0.8
523.23499	10.1
537.25006	7.0
538.25787	22.9
539.26227	0.8
547.23212	2.7
565.24445	10.5
566.25391	4.5
581.27637	8.2
607.25635	7.1
607.42676	0.7
625.26581	100.0
625.44257	3.6
626.26959	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1552
Annotation	kaempferol 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
53.03946	0.4
54.49614	0.2
62.31561	0.3
63.02364	0.6
69.03438	1.7
69.20628	0.2
71.08960	0.5
71.10453	0.3
76.81280	0.3
81.03418	3.8
85.02909	1.1
89.03919	7.6
91.05489	0.7
97.02901	0.5
103.05469	0.4
105.03386	0.4
106.04166	0.7
109.02887	1.2
111.00770	0.4
117.03385	21.8
121.02854	0.7
124.08313	0.3
126.18626	0.2
127.03889	0.9
134.03654	1.6
135.04420	0.7
137.02257	0.3
137.09592	0.3
145.02850	51.6
146.03224	0.3
147.04424	1.0
149.05991	7.5
153.01820	1.2
163.03893	0.7
165.01826	0.5
177.05475	100.0
178.05771	0.8
186.05486	0.7
191.07112	0.3
195.06487	0.8
213.05490	0.5
287.05511	24.5
321.09683	6.4
336.04575	0.3
339.10815	3.0
540.29022	0.3
625.21997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01881	0.4
55.05490	0.3
61.29994	0.3
63.02369	0.5
65.03942	0.4
66.26479	0.3
67.05506	0.9
68.99783	0.7
69.03430	1.6
69.07059	0.3
69.57170	0.3
74.09728	0.4
77.44165	0.3
78.04716	0.4
79.05488	0.9
81.03418	3.9
81.07053	1.5
85.02895	1.2
86.72970	0.3
89.03915	6.8
91.05481	1.2
93.07043	1.2
95.04956	0.7
95.08609	1.0
97.02890	0.8
97.10204	0.4
99.04485	0.4
103.05463	0.8
105.03386	0.8
105.07048	0.7
106.04204	0.4
107.04948	0.7
107.08589	1.0
109.02898	2.0
109.10158	0.6
109.22011	0.3
111.04483	0.4
117.03387	19.6
117.06998	0.7
119.04946	0.5
119.08630	0.5
121.02876	6.2
121.03773	0.6
121.06548	0.6
121.10163	0.9
123.04343	0.4
123.11749	0.4
127.03896	1.9
131.08621	0.5
133.02837	0.7
133.10097	0.7
134.03629	1.5
135.04422	1.2
137.02333	1.1
137.05948	0.5
145.02852	50.3
145.10101	0.5
147.04460	1.9
147.11754	0.5
149.05975	6.5
153.01848	3.5
159.11690	0.7
162.03145	0.4
163.03873	0.9
163.11273	0.4
165.01836	1.0
167.07027	1.5
171.04422	0.4
173.09615	0.4
177.05478	100.0
178.05872	0.8
181.04970	1.2
185.13303	0.4
186.05522	1.1
195.06435	0.9
197.19211	0.5
205.08659	0.5
213.05472	1.4
231.06653	0.5
233.05812	0.3
241.04903	0.9
258.05368	0.9
287.05515	62.9
288.05777	0.9
321.09689	7.3
339.10773	2.7
349.53381	0.4
383.65765	0.4
416.14728	0.6
625.21838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.8
55.01874	9.1
55.05511	31.2
57.03443	12.5
57.07072	2.1
57.75585	2.0
65.03954	3.2
65.47781	1.8
67.05507	61.2
69.03432	18.7
69.07070	16.6
70.09446	6.0
71.01328	2.5
71.05001	10.4
79.05496	50.3
81.03422	100.0
81.07060	75.2
83.04981	25.1
83.08631	23.0
85.02901	22.0
85.06563	3.3
88.03970	2.0
91.04932	1.8
91.05488	50.6
93.07052	54.5
95.04963	28.7
95.08616	24.0
97.02896	22.2
97.05972	1.9
97.06544	11.6
97.10185	5.8
98.21526	2.1
99.04468	7.3
99.08117	3.3
103.05473	2.3
105.07038	38.2
107.04949	11.6
107.08597	27.7
109.02885	18.9
109.06529	7.8
109.10152	6.9
111.04434	18.1
111.08096	12.0
115.05442	3.8
117.07039	15.0
119.08585	24.2
121.06522	7.4
121.10156	21.1
123.04434	4.0
123.08070	4.0
123.11687	3.9
125.09652	5.4
125.89278	2.1
127.03943	9.4
128.54607	1.8
129.07008	11.2
129.07813	1.8
131.04927	2.4
131.08580	20.9
133.06499	5.3
133.10158	14.0
135.08084	4.3
135.11676	7.7
137.06056	2.3
137.09615	1.9
141.07065	2.4
142.07831	4.0
143.08607	4.0
145.06534	4.5
145.10159	6.6
145.19664	1.8
147.04478	2.4
147.08122	4.8
147.11696	21.7
149.09618	7.3
149.13280	12.4
155.08606	4.0
157.10156	11.5
159.11697	9.8
163.11209	5.2
165.12793	8.3
169.10153	2.8
171.10268	2.0
171.11717	2.3
173.04500	5.2
175.11208	11.1
177.12769	4.7
187.14795	2.8
189.12723	2.3
193.12253	33.7
195.12244	2.0
195.13803	11.2
197.13266	2.1
201.12775	2.6
203.14317	2.2
211.13298	45.5
213.14859	3.0
227.12808	2.9
235.13197	2.5
267.15900	11.0
269.17569	7.9
273.14777	4.0
275.16611	3.6
285.17111	5.5
303.16153	3.9
321.17090	2.6
331.75500	2.0
339.18076	5.9
355.17746	3.0
359.25500	2.1
368.63574	2.4
369.24399	4.8
377.19751	3.7
387.25327	3.0
393.18936	2.2
395.20737	8.2
397.44617	2.1
411.20343	3.3
443.27905	7.7
461.29031	21.2
479.30194	13.8
545.31940	2.2
587.31604	4.6
605.33466	9.9
623.34235	79.6
624.34741	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12459	2.3
53.03937	6.4
55.01871	8.5
55.05514	21.0
57.03427	8.5
61.02928	25.0
64.77679	2.7
65.03925	4.6
67.05507	46.0
68.51930	2.5
69.03419	10.7
69.07056	16.1
70.88300	4.1
70.88643	4.4
71.04998	4.6
73.02911	8.6
79.05499	30.3
81.03424	19.5
81.06599	3.3
81.07056	49.7
83.04975	10.6
83.08616	14.9
85.02916	21.7
85.06512	4.2
91.03938	9.5
91.05486	43.0
93.07047	31.8
95.04960	8.3
95.08614	28.0
97.02892	15.0
97.06520	4.9
97.10143	8.6
99.08059	5.4
103.05502	3.2
105.07031	40.0
107.04944	11.2
107.08610	22.1
109.02872	6.2
109.06519	5.7
109.10130	11.7
111.04465	2.9
111.08064	5.2
115.05451	6.3
117.07025	28.5
119.04930	3.5
119.08560	26.6
121.06486	7.1
121.10143	13.8
123.08048	4.3
123.11684	3.0
125.09641	3.6
127.03896	5.0
128.06221	6.2
129.07014	28.0
131.08578	34.1
133.06589	3.0
133.10126	18.3
135.07962	3.6
135.11661	7.1
137.09579	6.5
141.07013	12.9
143.08592	21.2
145.06491	8.2
145.10149	22.6
147.08037	6.6
147.11687	8.7
149.09618	7.7
149.13293	8.2
153.07018	2.4
155.08566	19.3
157.10164	16.3
159.08049	4.5
159.11659	11.9
161.09651	3.6
161.13339	2.8
163.11266	3.5
166.07788	3.3
167.08563	11.7
168.09239	3.1
169.10103	15.1
171.11636	7.4
173.09642	3.7
173.13277	6.4
175.11157	5.6
177.12703	3.8
179.08528	7.6
180.19600	2.4
181.10100	11.1
183.11732	9.1
185.09549	3.3
185.13263	9.7
187.14838	6.0
191.14378	3.4
193.10085	2.7
193.12183	4.5
195.11723	8.5
195.13583	3.3
197.13206	6.3
199.14772	4.3
207.11618	4.8
209.13304	4.1
211.13171	5.4
211.14961	3.5
213.12708	3.3
213.16447	5.6
215.14308	7.5
221.13292	7.8
221.19031	3.4
223.14769	6.7
225.16316	4.5
235.14806	5.9
239.14236	4.3
259.16837	3.1
271.16870	3.2
275.16501	4.2
323.23615	7.3
333.22177	13.3
341.24646	7.2
351.23187	40.2
369.24261	28.7
387.25327	16.9
425.26660	7.5
443.27921	100.0
444.28458	3.6
461.28937	63.2
479.30032	4.3
605.32892	3.0
623.34052	13.1
630.27454	3.1
653.24725	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.8
55.01874	9.1
55.05511	31.2
57.03443	12.5
57.07072	2.1
57.75585	2.0
65.03954	3.2
65.47781	1.8
67.05507	61.2
69.03432	18.7
69.07070	16.6
70.09446	6.0
71.01328	2.5
71.05001	10.4
79.05496	50.3
81.03422	100.0
81.07060	75.2
83.04981	25.1
83.08631	23.0
85.02901	22.0
85.06563	3.3
88.03970	2.0
91.04932	1.8
91.05488	50.6
93.07052	54.5
95.04963	28.7
95.08616	24.0
97.02896	22.2
97.05972	1.9
97.06544	11.6
97.10185	5.8
98.21526	2.1
99.04468	7.3
99.08117	3.3
103.05473	2.3
105.07038	38.2
107.04949	11.6
107.08597	27.7
109.02885	18.9
109.06529	7.8
109.10152	6.9
111.04434	18.1
111.08096	12.0
115.05442	3.8
117.07039	15.0
119.08585	24.2
121.06522	7.4
121.10156	21.1
123.04434	4.0
123.08070	4.0
123.11687	3.9
125.09652	5.4
125.89278	2.1
127.03943	9.4
128.54607	1.8
129.07008	11.2
129.07813	1.8
131.04927	2.4
131.08580	20.9
133.06499	5.3
133.10158	14.0
135.08084	4.3
135.11676	7.7
137.06056	2.3
137.09615	1.9
141.07065	2.4
142.07831	4.0
143.08607	4.0
145.06534	4.5
145.10159	6.6
145.19664	1.8
147.04478	2.4
147.08122	4.8
147.11696	21.7
149.09618	7.3
149.13280	12.4
155.08606	4.0
157.10156	11.5
159.11697	9.8
163.11209	5.2
165.12793	8.3
169.10153	2.8
171.10268	2.0
171.11717	2.3
173.04500	5.2
175.11208	11.1
177.12769	4.7
187.14795	2.8
189.12723	2.3
193.12253	33.7
195.12244	2.0
195.13803	11.2
197.13266	2.1
201.12775	2.6
203.14317	2.2
211.13298	45.5
213.14859	3.0
227.12808	2.9
235.13197	2.5
267.15900	11.0
269.17569	7.9
273.14777	4.0
275.16611	3.6
285.17111	5.5
303.16153	3.9
321.17090	2.6
331.75500	2.0
339.18076	5.9
355.17746	3.0
359.25500	2.1
368.63574	2.4
369.24399	4.8
377.19751	3.7
387.25327	3.0
393.18936	2.2
395.20737	8.2
397.44617	2.1
411.20343	3.3
443.27905	7.7
461.29031	21.2
479.30194	13.8
545.31940	2.2
587.31604	4.6
605.33466	9.9
623.34235	79.6
624.34741	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.1
55.01881	4.2
55.05514	26.5
57.02896	2.1
57.03431	11.3
61.02937	2.6
65.03938	4.3
65.35664	1.9
67.05509	68.5
69.03432	20.7
69.07072	23.4
70.30379	7.0
71.05008	10.2
79.05500	46.3
79.05929	3.9
79.06481	2.3
79.40852	1.7
81.03421	100.0
81.07057	76.4
81.07537	3.2
83.04977	28.1
83.08623	23.3
85.02909	18.0
85.06573	2.7
91.05484	43.9
91.06042	3.4
93.07053	55.5
95.04981	23.0
95.08611	22.7
97.02907	17.1
97.06535	12.8
97.10184	8.1
99.04471	4.6
99.08101	2.9
105.07037	27.5
106.01700	1.9
107.04969	8.4
107.08599	27.8
109.02882	20.9
109.06536	8.6
109.10166	6.7
111.04463	16.1
111.08057	10.9
117.07030	11.2
119.08590	23.4
121.06532	5.3
121.10147	18.5
123.08041	3.0
123.11720	3.9
125.09666	6.2
127.03915	11.3
128.06285	2.5
129.07021	11.4
131.08577	18.6
133.06470	4.0
133.10123	13.7
135.08148	2.8
135.11723	7.7
137.06020	2.5
140.65779	2.5
141.07062	2.1
142.07831	2.6
143.08597	2.8
145.06496	4.6
145.10170	6.8
147.08055	4.7
147.11665	16.5
149.09624	6.6
149.13264	17.6
153.12794	3.6
155.08549	3.7
157.10114	13.6
159.11687	9.5
163.11194	5.2
163.35518	2.1
165.12831	6.0
175.11229	9.5
177.12784	5.0
181.12294	4.9
189.11194	4.1
189.16457	2.1
191.10692	3.5
193.12250	28.7
195.13860	8.5
195.64536	2.3
211.13286	57.8
213.14848	4.0
227.12834	7.9
229.14334	2.7
249.14911	3.0
267.15933	10.2
269.17499	10.9
285.17307	3.1
309.16940	2.1
319.15421	2.4
337.16623	6.3
339.18329	6.3
355.17661	13.3
369.24326	3.8
395.20859	3.5
411.20407	5.8
443.28082	4.6
461.29044	18.3
479.30115	18.7
569.31079	2.2
605.33044	5.9
623.34302	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
67.05500	0.9
69.07082	0.3
69.82082	1.0
79.05497	0.8
81.07057	0.7
83.04990	0.3
91.05499	1.1
93.07057	0.5
95.08600	0.4
105.07030	0.4
106.36074	0.2
107.08595	0.3
117.07021	0.3
119.08636	1.1
127.32918	0.2
133.10158	0.5
134.06052	0.3
136.56503	0.2
147.11731	0.3
149.09604	0.2
156.46172	0.3
159.11755	0.3
173.01726	0.3
173.09628	0.3
183.09268	0.3
183.11610	0.3
209.10918	0.6
211.12355	0.3
223.12303	0.4
225.13942	0.4
234.27342	0.3
235.12300	0.3
237.10338	0.4
237.13882	0.3
249.10135	0.3
251.11874	0.4
271.17093	0.3
277.13388	0.3
289.18082	0.5
309.12634	0.3
311.14316	0.3
312.14874	0.3
314.12900	0.3
326.16602	0.3
328.14722	0.4
340.14429	0.4
363.17279	0.2
375.16287	0.7
376.17169	0.5
377.17661	0.9
388.17401	0.4
389.17807	0.7
390.18555	0.9
391.19345	2.2
392.19992	0.5
393.20850	0.6
401.17575	0.6
402.18582	0.8
403.19672	1.5
404.16064	0.6
404.20251	0.8
405.16885	1.1
405.21701	1.9
406.21735	1.2
407.22388	1.0
415.19397	0.6
416.19955	0.7
417.16193	1.7
417.21228	1.0
418.17514	1.6
419.17841	2.7
419.22791	1.4
420.19333	0.7
421.24326	2.4
422.25113	0.3
429.17084	0.7
430.17847	0.3
431.18704	1.6
431.22849	1.1
432.19342	1.9
433.20007	4.2
434.20981	1.3
435.21866	1.4
443.18790	0.9
444.19504	0.9
445.20316	3.5
446.21606	1.2
447.22549	3.9
448.22717	1.7
449.23511	5.7
450.24496	0.5
457.20340	0.5
458.21008	1.3
459.22046	2.5
460.22495	0.8
461.19855	2.3
462.20807	0.7
463.21213	2.0
475.20786	2.1
476.22052	5.0
477.22971	4.9
478.23380	0.4
489.23230	2.3
490.23569	1.0
491.20767	0.5
493.22528	0.3
503.25232	1.3
505.22552	0.8
507.27621	0.3
517.22870	0.4
519.23779	1.4
520.24988	0.5
521.21393	1.2
531.24152	0.5
533.25586	3.9
535.27454	3.6
545.25635	1.4
548.24078	0.3
554.55481	0.3
563.26575	17.6
564.27020	0.4
591.26373	1.1
593.27692	0.6
595.29248	1.2
605.27563	2.3
606.28607	1.0
623.28668	100.0
624.28931	2.5
634.33618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
67.05511	0.7
70.09215	1.0
70.09563	0.5
79.05509	0.9
81.07065	0.5
91.05489	0.8
93.07047	0.7
107.08612	0.4
117.07012	0.5
119.08583	0.6
145.06482	0.5
209.10770	0.4
271.16995	1.2
373.14645	0.3
374.15543	0.4
375.16113	0.6
387.16296	0.5
388.17056	0.7
389.17664	3.3
390.18457	1.4
391.19238	2.7
393.20624	0.4
401.18045	0.4
402.18512	0.7
403.14984	0.3
403.19467	2.8
404.19992	1.3
405.16617	0.3
405.20816	9.2
406.21365	1.6
415.19571	0.6
416.20248	0.6
417.16412	5.7
417.21231	1.5
418.17532	2.7
419.18353	3.0
420.18774	0.4
430.17697	0.4
431.18225	6.1
432.19373	7.1
433.20206	7.8
434.21210	0.5
435.21771	0.5
443.18414	0.4
444.19290	0.3
445.20419	3.3
446.21249	0.6
447.22665	0.3
448.22659	0.4
449.23383	1.2
459.22025	1.6
460.71747	0.3
461.19589	2.4
462.20218	1.3
463.21579	1.8
464.22281	0.6
473.20047	0.3
475.21185	1.9
476.22012	3.8
477.23599	4.2
478.23538	0.6
487.21533	0.5
489.23172	1.3
491.25037	1.5
503.24527	1.0
505.21951	0.4
519.23950	20.9
520.24359	0.7
521.22162	0.6
535.27112	0.6
545.25861	0.6
547.23712	0.9
551.26373	0.8
563.26556	13.5
564.26569	0.4
579.26007	5.4
591.26105	0.5
623.28656	100.0
624.29095	2.9
628.89044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.8
67.05500	1.2
69.16553	0.3
69.16891	3.0
75.40096	0.2
77.31224	0.3
79.05488	1.5
81.07056	1.2
82.87377	0.3
91.05481	1.1
93.07050	1.1
93.66346	0.3
95.04979	0.3
95.08614	0.8
97.06541	0.3
105.07027	0.7
107.08596	0.5
107.64231	0.3
109.10135	0.5
117.07054	0.5
119.08593	1.8
121.06570	0.5
121.10186	0.4
123.11667	0.3
127.63313	0.2
131.08617	0.4
139.05028	0.5
146.94402	0.3
154.13306	0.3
157.10191	0.4
159.08101	0.5
173.09657	0.4
197.10764	0.4
235.75996	0.3
237.14000	0.3
257.44562	0.3
271.17102	0.7
289.17944	0.5
351.68628	0.3
375.15891	0.5
377.17529	0.4
389.17865	0.7
390.18433	0.8
391.19196	1.6
392.19876	1.3
403.19473	0.6
404.15857	0.6
404.20435	0.7
405.16821	1.1
405.21402	2.3
406.21649	2.2
407.22354	1.5
408.22940	0.3
417.16321	0.5
417.21133	0.6
418.17560	2.8
419.18085	4.4
419.22610	0.9
420.18207	0.6
420.23517	4.1
421.24069	3.3
431.18048	0.6
432.18958	2.1
433.20078	9.0
434.20728	3.3
435.21820	0.8
445.20416	0.5
446.20816	1.5
447.22281	5.2
448.23068	4.7
449.23740	2.7
461.19611	1.1
461.24231	0.7
462.20016	1.3
463.21249	2.8
465.22888	0.4
475.20361	1.5
476.21899	5.5
477.22955	6.6
478.23679	0.4
479.24445	0.6
480.25757	0.3
489.22983	1.2
494.26166	0.3
503.24411	1.3
505.22675	0.4
507.27179	0.9
508.24658	0.5
519.23749	0.7
520.24744	0.5
521.21271	1.6
531.24292	0.4
534.26556	2.5
535.27606	4.2
536.27527	0.3
549.25000	0.4
563.26550	21.9
564.26642	0.6
565.24493	0.6
591.26007	0.9
594.28497	0.8
595.28986	0.8
623.28650	100.0
624.29010	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
62.70393	0.3
63.89110	0.3
67.05499	0.9
69.07070	0.3
75.26506	0.3
79.05484	0.6
81.03407	0.5
81.07072	0.6
87.00356	0.4
91.05482	0.8
92.43767	0.3
93.07019	0.6
95.08610	0.6
105.07038	0.6
107.08640	0.4
113.06017	0.3
119.08551	0.6
131.08650	0.5
157.10136	0.5
167.98193	0.3
207.09291	0.3
237.59024	0.4
290.96140	0.4
308.12238	0.4
375.16275	0.5
377.17520	0.4
387.16217	0.5
389.17801	1.4
391.19424	0.6
401.17670	0.5
402.18524	0.8
403.19598	1.8
404.20071	1.2
405.20880	1.6
415.19302	1.1
416.20078	1.3
417.17096	2.1
417.21091	1.7
418.22226	0.6
419.22595	5.0
420.22940	0.8
429.17090	1.0
430.17734	1.1
430.22583	0.5
431.18796	3.4
431.23114	1.6
432.18930	1.9
433.20190	2.7
435.21854	0.6
442.17361	0.3
443.18689	4.1
444.19666	1.3
445.20166	8.3
446.20990	4.7
447.22205	5.3
448.18515	0.6
449.23669	2.1
450.24396	0.4
457.20392	1.2
458.21063	1.1
459.21851	3.3
460.22852	0.6
461.19400	0.9
462.20227	1.6
463.21283	1.7
473.23557	0.9
475.20941	1.5
476.22003	5.2
477.22861	6.0
478.23602	0.6
489.22983	2.1
490.23520	1.0
491.20474	0.4
491.24445	0.3
505.21976	0.5
505.26700	0.7
518.22961	0.6
521.21576	1.7
533.25580	14.1
535.24225	1.0
545.25482	1.0
548.24500	0.5
549.24994	0.5
561.25464	0.5
563.26581	15.3
564.27380	0.6
591.25940	0.9
593.27643	4.6
594.24628	0.7
605.27393	1.0
612.32758	0.4
623.28674	100.0
624.29053	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
61.49237	0.5
66.81229	0.5
67.05485	1.1
68.52803	0.5
71.02087	1.2
71.02442	0.5
79.05493	0.6
79.90116	0.5
81.07066	0.8
84.73459	0.5
91.05483	0.6
105.17323	0.6
109.49779	0.6
119.08575	1.2
125.14497	0.5
139.59396	0.6
159.07947	0.5
159.29877	0.5
240.16399	0.5
377.17813	0.5
382.04977	0.6
389.17920	1.1
391.19260	1.4
401.17767	1.0
403.19427	1.5
404.20282	1.2
405.20868	2.1
406.21701	0.7
415.19614	1.3
417.20868	2.0
418.17621	0.9
419.17801	0.8
419.22504	2.2
420.23172	1.4
428.15701	0.6
429.21094	1.1
430.17963	1.5
431.18759	2.4
432.19235	0.9
433.20111	4.9
434.20731	0.7
443.18555	1.0
444.19156	1.3
445.19522	3.2
446.20996	2.2
447.21982	3.8
448.22617	1.5
449.22974	0.7
458.20889	5.7
459.21722	5.0
460.22726	3.5
461.19107	0.8
463.21371	1.7
475.21188	1.1
476.21680	1.0
477.22879	1.6
485.23621	0.7
489.22681	0.6
504.25488	0.7
517.22607	0.8
518.23187	3.5
521.21808	1.1
531.23859	1.0
533.25574	7.5
535.26648	2.0
545.25348	3.2
546.26160	1.1
563.26111	5.7
573.24854	0.7
577.28143	0.8
605.27588	8.9
623.28613	100.0
624.28973	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03289	0.4
53.03939	0.9
55.01875	0.5
55.05508	1.3
57.03425	0.4
60.25857	0.4
67.05508	2.9
69.07070	0.9
79.05500	2.9
81.03423	4.4
81.07074	3.4
83.08624	0.4
91.05497	2.6
93.07065	2.3
95.04996	1.2
95.08624	1.8
97.06511	0.5
97.10165	0.6
105.07070	2.0
107.04958	0.6
107.08604	1.6
109.06525	0.6
109.10176	1.1
115.05482	0.6
117.07046	1.6
119.08586	1.8
121.10175	0.9
123.08076	0.4
125.09659	0.6
129.07039	1.1
131.08606	1.4
133.10211	1.1
135.08015	0.4
135.11723	0.7
137.09717	0.4
143.08592	0.8
145.06503	1.0
145.10146	1.0
147.11714	0.6
155.08568	0.5
157.10120	0.5
159.11705	0.8
160.05267	0.7
161.06036	0.7
161.09677	0.4
171.11746	0.4
173.06030	1.0
189.11281	0.4
197.13271	0.5
209.10901	0.8
210.11571	0.5
211.12303	0.6
221.10803	0.4
223.12451	0.4
224.13203	0.9
225.10390	0.7
229.49577	0.4
230.71515	0.4
235.12347	0.4
237.13872	0.5
243.13783	0.6
249.10333	0.4
250.11115	0.4
265.13644	0.6
271.13437	0.7
271.17001	1.3
279.23306	0.4
289.17896	0.4
311.14163	0.4
401.18063	0.7
402.18631	1.2
403.19482	2.1
404.20407	0.6
405.20950	1.6
406.22037	0.4
415.19449	0.8
416.20242	0.7
417.16418	0.8
417.20880	1.7
418.22403	1.8
419.22525	1.3
420.23392	0.5
429.16934	0.8
430.17499	2.2
431.18161	4.5
431.23642	0.7
432.19302	2.1
433.20221	1.9
435.21851	0.9
443.18939	1.2
444.19617	1.1
445.20108	5.4
446.21109	3.8
447.22369	2.1
448.22650	1.1
449.23438	3.7
450.24249	0.6
457.20236	0.5
458.21170	0.8
459.21805	1.5
461.18890	2.6
462.20386	2.3
463.20880	3.1
475.20883	2.1
476.22098	7.8
477.22876	9.5
478.23553	0.6
489.23154	2.8
490.24078	0.6
503.24310	1.4
505.22424	0.5
517.22424	0.8
519.23871	0.9
521.21191	2.2
531.23956	0.6
532.24176	0.6
533.25574	3.0
535.27759	2.4
545.24902	0.6
548.24146	0.9
563.26556	32.6
564.27118	1.2
591.26001	1.5
593.27972	0.6
595.29071	1.0
605.25354	0.6
623.28693	100.0
624.28790	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61309	0.3
57.62237	0.3
69.50315	0.3
69.93192	1.4
72.00150	0.3
123.47520	0.3
148.96466	0.3
163.63312	0.3
202.70821	0.3
209.10994	0.4
223.12433	0.3
238.14703	0.4
376.17371	0.5
377.17648	0.6
378.18314	0.6
389.18365	0.5
390.18387	0.6
391.19296	1.4
392.19937	1.2
393.20905	1.0
400.17068	0.5
401.17590	0.5
403.20068	0.4
404.20425	0.5
405.16757	0.3
405.20975	2.9
406.21817	2.1
407.22388	6.3
413.17972	0.6
414.18564	1.1
415.19009	1.8
417.21265	0.5
418.22186	0.5
419.23224	1.6
420.23157	0.9
421.23932	6.9
422.24481	1.8
427.19330	0.7
428.19946	1.0
429.21002	2.5
430.21942	0.7
431.18344	0.5
433.15930	0.6
433.24893	0.4
434.24860	0.8
435.25629	0.4
442.22040	0.5
443.22598	2.2
444.23291	1.0
445.20435	1.2
447.18060	1.3
448.18610	0.5
449.28046	0.4
457.23911	1.2
458.25110	1.6
459.22238	2.2
460.22617	1.3
461.18753	3.0
462.20718	1.2
463.21393	1.0
470.20367	0.4
471.22409	0.4
472.22580	1.8
474.20578	0.5
475.20975	3.9
476.21555	2.6
477.22891	1.9
484.19003	0.6
485.23636	3.8
486.20645	1.4
486.25488	0.4
487.20935	0.6
487.25470	0.4
488.22195	1.2
489.22897	2.3
493.26416	0.7
499.21207	4.8
500.22186	1.0
502.23682	0.9
503.24399	6.8
505.22488	0.5
507.23843	0.6
513.22626	1.6
514.24152	0.9
515.24542	1.0
517.22479	1.1
517.25793	1.1
521.25568	1.1
529.26263	0.5
531.24133	0.8
535.27106	4.8
545.25537	20.1
546.26105	1.0
547.26892	0.4
563.26379	1.4
564.27112	1.8
573.25018	6.1
577.27777	1.0
591.26306	2.0
605.27612	16.9
606.27966	0.5
623.28656	100.0
624.28851	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	623.2869
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
53.59330	0.6
55.05496	1.4
57.03453	0.8
67.05496	3.1
69.07076	1.0
69.51781	1.7
69.52199	3.1
71.74287	0.6
75.09678	0.5
79.05487	2.1
81.03431	1.3
81.07061	2.7
87.89017	0.6
91.05477	1.8
93.07044	2.4
95.08613	1.5
97.10164	0.7
105.07022	0.8
107.08587	0.8
109.10188	0.7
117.07024	1.8
119.08630	1.5
125.26004	0.6
131.08604	0.7
131.76854	0.6
135.51740	0.6
145.06462	1.2
145.10094	0.7
147.11800	0.6
237.13930	0.6
240.78300	0.7
271.16937	2.6
389.18295	0.9
401.17776	0.9
402.19260	0.7
403.19473	0.8
404.20313	0.9
405.20837	1.5
413.17557	0.7
414.18625	1.4
415.18723	3.1
417.16568	0.9
417.21420	0.9
419.22733	1.5
420.23190	0.8
427.19415	0.9
428.20145	2.0
429.21051	5.3
430.21817	1.3
431.18271	3.0
432.19238	1.5
433.24222	1.7
442.21857	1.0
443.22556	5.2
444.23059	2.4
445.20200	2.9
445.25125	0.9
446.21115	1.7
447.22125	3.7
448.22437	1.4
449.23254	2.3
457.24609	1.2
458.25171	1.3
459.21674	5.2
460.22745	4.2
461.23386	4.5
462.20508	2.0
470.20883	1.0
471.21942	1.6
472.22693	3.7
473.23434	2.6
474.20108	1.0
475.21399	2.7
476.21887	4.6
477.22812	6.1
485.23535	6.7
486.24026	0.8
487.25089	6.2
489.22824	2.5
503.24506	3.8
505.22333	1.2
515.24237	1.0
517.25983	3.0
518.23090	0.8
520.25098	1.5
521.25616	0.9
531.23987	5.8
535.26886	1.2
536.23804	1.6
545.25470	48.0
546.26056	1.9
548.23834	1.3
549.25171	1.0
563.26501	29.3
563.35309	1.4
564.26892	1.1
577.28143	1.1
591.25854	2.9
605.27637	15.0
623.28571	100.0
624.28955	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88338	0.6
58.97009	0.7
65.57952	0.5
151.61011	0.7
210.11565	0.6
237.14005	0.8
255.72215	0.6
377.17581	1.6
378.18604	1.1
381.77527	0.7
385.14227	0.7
387.16556	0.9
388.17999	1.1
389.18460	1.2
390.18607	1.1
391.19168	3.9
392.19928	3.4
393.20663	1.6
399.16425	1.7
400.16797	0.9
401.17609	2.5
402.19443	0.8
403.19534	1.2
404.20511	1.8
405.20877	5.3
406.21652	4.7
407.22348	15.0
413.17853	2.2
414.18570	2.5
415.19257	6.0
416.20636	0.7
417.20963	1.4
419.18146	1.2
419.22607	1.9
420.23032	2.2
421.23886	13.6
422.24719	2.9
427.19312	2.5
428.20319	3.5
429.15863	1.0
429.20917	12.2
430.21948	3.1
431.22812	0.9
432.19205	0.9
433.19662	2.9
434.24731	1.2
441.16855	1.1
442.21500	2.4
443.22568	7.8
444.23514	6.1
445.20331	2.6
446.21036	1.0
447.18018	2.0
448.18356	0.9
449.22955	1.0
455.18930	1.7
456.19540	0.7
457.19217	1.8
457.24020	3.7
458.25128	9.2
459.21808	8.3
460.22485	2.5
461.18890	4.4
462.20447	2.6
463.21329	0.9
470.20847	2.0
471.22174	3.1
472.22580	9.1
473.23117	2.1
474.20590	1.0
475.21204	7.3
476.21808	4.6
477.22775	4.4
478.23611	1.4
485.23557	17.4
486.20334	2.8
486.24268	4.5
487.21448	2.1
488.22141	1.7
489.22937	4.2
493.25769	1.6
499.21338	5.4
500.22040	3.1
502.23764	1.4
503.24606	9.6
504.25482	1.2
507.23535	0.8
508.27939	1.0
513.23029	4.5
514.23621	1.9
515.24487	0.9
517.26459	9.3
521.25818	1.4
529.25824	1.8
531.23865	1.9
535.27142	6.1
545.25519	96.1
546.25793	2.4
563.26538	1.2
564.27374	1.8
573.24976	23.1
574.25055	0.9
591.25995	2.1
605.27631	100.0
606.27802	3.4
623.28656	98.9
624.28955	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.5
68.59077	0.3
69.60986	0.5
69.61385	1.2
79.05460	0.4
81.07066	0.3
82.43069	0.3
91.05524	0.3
93.07050	0.4
104.21676	0.3
147.97797	0.3
161.16258	0.3
275.15518	0.4
374.16544	0.4
375.16357	0.6
376.16925	0.9
377.17740	0.4
389.17923	0.8
390.18533	1.8
391.19257	1.6
392.20294	0.5
393.21063	0.3
401.17462	0.6
402.18787	0.5
403.15103	0.5
403.19708	0.6
404.16147	0.7
405.20743	4.0
407.22601	0.6
414.18555	0.6
415.19336	1.2
416.20044	0.7
417.20795	0.9
418.17920	1.0
419.17914	2.2
419.23294	0.7
420.18542	0.4
420.23193	1.2
421.23969	0.8
427.19403	0.5
428.20059	0.6
429.20978	2.6
430.21643	0.9
431.18320	0.5
432.15366	0.5
433.19733	4.1
435.22009	1.1
442.21600	0.5
443.23032	1.6
444.23486	1.5
445.19308	0.5
445.24118	1.1
446.17584	0.9
447.17889	9.5
448.22949	2.6
449.23492	2.6
452.22137	0.5
456.19516	0.5
457.19839	0.5
458.24841	1.2
459.21527	3.4
460.23148	1.8
461.19363	8.8
462.20645	1.0
463.21365	1.6
465.23474	0.3
470.21060	0.4
471.21695	0.4
472.22699	1.7
473.23550	2.3
475.20599	1.4
476.22076	23.5
477.22778	3.7
479.21112	1.2
485.23727	3.1
486.24527	0.5
487.25351	2.2
488.25153	0.3
489.19589	1.2
503.24701	2.4
507.27621	0.5
508.24420	0.4
513.22876	0.7
515.24469	1.1
517.26355	1.6
518.23419	0.5
519.23657	2.3
521.25940	0.7
531.23981	4.2
536.23553	0.5
545.25482	13.5
546.26111	1.2
547.27649	0.5
549.25195	1.0
559.23218	0.4
563.26477	8.3
573.25189	0.3
591.26062	3.2
605.27704	2.9
623.28668	100.0
624.29132	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	623.2844
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
59.08661	1.4
59.10602	1.3
69.92653	7.3
73.74431	1.7
77.94228	1.7
78.87490	1.5
95.73512	1.7
111.06074	1.7
156.33185	1.7
391.18823	2.0
419.18039	2.3
434.20822	1.9
435.22018	2.9
446.17310	2.0
447.17709	2.9
448.22888	3.0
449.23605	3.3
461.19647	4.0
462.20245	4.0
463.21136	8.9
475.21255	4.9
476.21768	12.5
477.22653	11.2
478.23380	2.6
501.46622	2.0
521.24622	2.4
535.23126	4.0
536.23706	6.0
545.25562	2.3
549.25183	4.8
550.25012	1.8
563.26459	20.7
564.26984	9.2
591.25787	10.7
594.26599	2.5
595.28766	5.5
605.28241	2.1
608.26202	2.5
623.28448	100.0
624.28528	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47502	1.2
53.22722	1.4
60.37379	1.3
68.88869	1.5
72.83573	1.6
79.50981	1.4
89.42014	1.2
98.21474	3.2
124.51080	1.6
185.26651	1.3
189.44388	1.4
222.25397	1.3
405.20999	2.6
417.17023	2.9
418.17572	1.9
419.18518	2.6
431.18533	2.1
432.19861	1.9
433.20392	4.1
445.16522	3.0
446.17542	2.0
447.17838	4.4
447.22308	5.4
448.18661	2.1
461.19196	9.7
462.20801	5.1
470.39630	1.4
475.21255	19.5
476.22064	8.2
477.23080	10.0
503.20975	4.6
534.26294	2.1
535.23212	12.0
536.23877	2.6
547.23785	3.1
549.25183	4.2
562.25366	15.1
563.26752	15.5
590.25183	5.7
593.25787	3.4
594.28357	7.2
607.25629	5.1
622.27826	100.0
623.28925	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	623.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01864	2.4
55.05514	11.1
57.03436	2.5
57.07058	1.9
63.78076	1.0
64.88731	1.1
65.03950	1.6
67.05190	1.5
67.05511	22.0
67.08370	1.1
69.07072	7.3
71.05001	1.3
72.29845	0.9
78.80593	0.9
79.05501	19.3
81.03421	27.5
81.06611	1.2
81.07062	16.9
83.04979	2.5
83.08633	5.8
85.06503	1.1
91.05501	17.4
93.06501	1.2
93.07045	12.5
95.01328	2.1
95.04980	6.0
95.08614	10.2
97.06503	1.8
97.10154	4.9
98.20769	3.6
103.05492	1.6
103.67497	1.1
105.07036	14.4
107.04942	3.5
107.08598	9.4
109.06492	2.5
109.10160	5.1
115.05462	4.0
117.07001	7.0
119.08622	7.7
119.09332	1.5
121.06496	2.0
121.10156	5.1
123.08038	1.3
123.11698	1.5
125.09599	4.0
128.06158	1.6
129.06979	4.2
131.04951	1.6
131.08588	6.9
132.08041	1.1
133.06467	3.3
133.10123	6.9
135.08057	2.1
135.11633	3.3
142.07780	1.6
143.08604	6.2
145.06416	4.0
145.10153	5.5
147.04355	1.5
147.08055	1.8
147.11681	4.8
149.09641	1.5
153.06985	1.2
155.08516	4.0
156.08083	1.3
157.06488	1.4
157.10106	3.9
159.08070	2.4
159.11694	2.4
160.05191	4.2
161.06003	7.1
161.09689	2.4
161.13274	2.1
163.11180	1.8
166.07739	1.1
167.08559	2.2
168.09326	1.2
169.10103	3.4
171.11678	3.3
173.05984	4.4
173.13231	2.4
179.08632	1.1
181.10162	1.8
182.78075	1.1
183.11644	4.3
185.09459	1.1
185.13225	2.1
187.07494	2.0
189.11209	1.8
193.10136	1.9
195.11687	2.6
196.10062	1.3
197.13289	2.5
227.12781	2.2
243.13721	1.7
257.19138	1.3
259.20502	1.3
271.13257	4.4
271.16614	2.3
273.14825	3.2
275.20135	1.6
289.14362	2.0
289.17725	1.6
291.19519	2.3
325.21347	1.3
335.25711	4.1
337.21664	1.4
363.15930	2.4
376.16562	1.4
377.17694	1.8
378.18420	1.8
386.15430	1.3
389.17767	1.7
390.18851	1.5
391.19055	3.8
393.20734	3.7
399.15988	1.6
400.16953	1.7
401.17761	3.3
405.16580	1.8
405.21042	2.0
407.22281	4.7
413.17703	2.7
414.18317	3.8
415.19415	7.2
416.19937	2.1
417.20941	2.2
419.18454	3.7
421.20053	3.4
427.19525	1.9
428.19876	3.1
429.20676	4.1
430.21564	2.9
435.21664	3.2
440.16803	1.5
443.22757	3.2
444.19073	5.5
445.20349	1.5
446.21127	2.2
447.18033	4.7
448.18607	3.0
449.19678	2.9
456.19229	1.4
457.20551	2.3
458.20828	3.2
461.19638	3.6
462.20346	4.7
463.21344	3.3
470.16769	1.4
471.22342	9.8
473.19250	2.2
474.20328	1.9
475.16061	1.4
475.21191	4.1
476.18057	1.9
477.19205	1.4
477.22946	2.3
485.19571	3.1
486.20508	3.3
489.17670	1.2
489.22516	5.9
490.19028	5.3
491.20499	2.4
499.21436	18.3
500.18237	1.2
501.22476	4.2
503.20532	5.8
507.23795	3.2
511.21881	2.1
513.19196	2.4
514.19940	1.6
517.22369	11.8
518.23224	1.8
527.20825	3.5
529.22333	11.5
535.23291	6.1
536.23767	2.3
545.21790	47.7
546.22284	1.6
547.26703	1.7
549.25073	1.5
549.39117	1.6
550.25549	3.1
555.20044	2.2
563.22327	8.3
564.23560	2.5
573.21362	15.3
591.22644	1.3
595.25531	1.8
605.23944	88.3
605.40936	5.5
606.23761	3.7
623.24951	100.0
623.42224	21.8
624.25525	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3997
Annotation	Cauloside B
Peak:m/z	Relative Intensity
53.03194	1.6
53.03934	4.9
55.01868	5.5
55.05516	26.7
57.03439	13.2
57.07059	2.0
61.02912	5.2
67.05509	22.4
69.03416	8.2
69.07063	10.4
71.01343	1.9
71.04980	3.6
71.49570	2.7
71.49960	2.1
73.02922	39.9
79.05083	2.3
79.05500	25.4
81.03418	40.6
81.07063	28.8
83.04975	5.7
83.08631	19.0
84.41522	1.7
85.02909	16.8
85.06512	3.4
88.40659	1.5
91.04985	2.2
91.05488	22.8
91.70878	1.8
93.07050	25.5
95.01294	1.8
95.04976	25.7
95.08616	20.1
97.02906	10.4
97.06519	3.5
97.10162	5.0
99.04436	3.8
103.05477	1.8
105.03410	2.0
105.07029	27.5
107.04961	8.6
107.08601	23.7
109.02855	8.5
109.06517	5.5
109.09509	2.2
109.10151	13.5
109.92963	1.7
110.14676	1.8
111.04419	5.2
111.08082	4.9
115.03925	4.6
117.07024	10.8
119.04933	3.6
119.08588	32.6
121.06520	7.9
121.10141	14.6
123.04413	6.4
123.08085	4.3
123.11726	3.7
125.09640	7.2
127.03934	3.7
129.06996	9.3
130.75809	2.0
131.04933	4.1
131.08548	13.4
133.06468	5.0
133.10126	17.3
135.04350	2.1
135.08044	3.7
135.11690	13.5
137.05956	2.5
137.09599	2.1
142.07750	2.1
143.08551	7.2
145.06493	4.9
145.10126	12.5
147.04391	5.5
147.08022	4.2
147.11685	15.5
149.06024	4.1
149.09578	3.8
149.13242	2.8
153.09109	2.5
155.08582	3.3
157.06560	2.4
157.10136	11.7
159.07988	1.9
159.11658	8.1
161.05980	4.3
161.09622	4.0
161.13234	5.0
163.03857	2.3
163.07608	2.3
163.11185	6.6
163.14804	3.5
165.12845	2.5
169.10124	4.2
170.10901	2.3
171.08049	3.5
171.11679	4.5
173.04567	3.6
173.05977	4.2
173.09636	4.8
173.13298	6.6
175.11153	5.6
175.14847	12.8
177.12752	2.0
177.16475	2.1
181.12155	2.7
183.08047	1.9
183.11667	3.4
185.09627	2.5
185.13223	9.2
185.55116	1.7
187.07500	3.5
187.14825	6.0
189.05441	2.2
189.12753	3.2
189.16380	33.3
191.10733	2.2
191.17996	12.5
193.12260	14.3
193.15869	2.4
197.13255	2.1
199.14793	4.2
201.16370	5.6
203.14349	12.2
205.15924	2.2
207.17409	7.9
211.11342	3.0
211.13225	13.4
213.12927	2.0
217.15887	2.2
221.15414	5.6
227.12686	3.7
231.13919	3.3
235.13182	4.2
249.15007	9.4
265.14856	1.7
267.15967	6.8
273.14944	11.5
285.16946	4.3
299.20349	2.4
301.14447	12.7
319.15417	5.4
339.21854	2.1
342.75980	1.9
375.17877	3.0
385.23785	4.9
393.19223	3.3
403.25012	2.7
407.32950	8.2
425.34024	2.7
435.32477	3.4
453.33521	6.1
459.27396	7.5
471.34793	2.3
477.27582	2.3
489.31796	5.3
503.30014	6.4
521.31146	100.0
529.27667	1.9
539.37396	2.3
557.38391	40.6
559.39636	4.8
567.29382	4.8
575.39093	7.0
585.30579	9.4
585.38226	2.6
603.30469	8.4
603.38953	6.3
621.32635	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	621.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.01875	7.0
55.05515	20.1
57.03443	9.4
65.03937	2.9
67.05509	31.0
68.99792	1.5
69.03420	16.0
69.07072	6.9
69.21499	1.1
70.05815	4.3
71.04992	5.6
73.02885	1.3
79.05496	32.5
81.03422	100.0
81.07056	34.6
83.04983	13.9
83.08624	23.4
85.02908	20.8
85.06520	1.8
91.05486	40.0
93.07044	22.4
95.04377	2.5
95.04972	34.6
95.08601	13.1
97.02894	14.6
97.06529	4.3
97.10172	6.9
98.21483	1.7
99.04469	4.1
101.35998	1.2
103.05457	3.6
105.04526	1.3
105.07045	24.6
105.42007	1.2
106.26714	1.2
107.04963	12.4
107.08603	12.9
109.02886	25.3
109.06529	5.5
109.10146	5.2
111.04442	6.9
111.08102	7.9
113.06050	1.6
115.05474	3.3
117.07056	7.7
119.04967	4.3
119.08595	21.5
121.06517	7.1
121.10145	10.2
123.04466	3.0
123.08086	4.3
123.11739	2.2
125.02356	4.5
125.09608	6.2
127.03942	7.6
128.06270	1.6
129.05490	1.4
129.07016	13.8
131.04951	4.4
131.08565	14.9
133.06500	6.1
133.10150	11.0
135.04419	1.9
135.08054	3.8
135.11758	2.4
137.05966	3.0
137.09634	2.4
141.06998	2.8
142.07808	3.9
143.08604	3.6
143.10695	1.5
143.94611	1.5
145.06480	4.1
145.10153	5.3
147.04402	3.4
147.08054	6.5
147.11694	14.7
149.05946	2.6
149.09648	5.8
151.03888	1.5
153.09158	1.5
153.12730	2.3
155.08614	2.4
157.06532	3.4
157.10124	15.1
159.08105	1.8
161.05992	1.9
161.09586	2.0
163.11217	6.3
165.12819	4.9
169.10172	2.4
171.08075	2.5
171.11705	1.7
173.04483	3.4
173.05940	1.7
173.09654	2.4
175.11206	10.2
181.12317	3.6
185.09790	1.6
187.11192	1.6
187.20662	1.3
189.11264	2.9
189.12854	2.4
191.10710	2.6
191.29945	1.5
193.12259	34.6
201.12959	1.2
203.14401	1.7
205.12206	1.7
210.19667	1.2
211.13298	45.2
213.12817	1.8
227.12714	3.4
235.13292	1.6
237.12973	1.5
249.14963	2.0
255.13860	2.1
259.13437	1.8
267.15863	9.1
273.14801	8.0
277.14307	2.2
283.13214	1.9
285.17056	8.6
301.14252	10.8
319.15454	5.1
337.16531	3.9
337.91724	1.5
349.21527	1.7
355.17508	3.9
375.18015	4.7
385.23972	4.3
393.19125	5.0
403.24982	2.1
411.20090	1.7
459.27374	7.8
477.28568	7.1
495.29901	6.0
501.28903	2.1
543.29657	2.2
557.31061	1.7
567.29510	2.1
573.30652	2.4
585.30463	8.0
603.31232	9.1
621.32703	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3073
Annotation	Lotusanine B
Peak:m/z	Relative Intensity
57.07085	1.5
67.05499	2.1
71.08614	0.9
71.50751	0.8
71.51108	0.6
73.07483	0.6
78.30212	0.6
79.05488	1.2
81.07076	1.3
88.02470	0.6
93.07051	1.2
95.08636	1.3
107.61233	0.6
109.10199	0.8
112.22546	0.7
157.44247	0.6
291.19666	1.0
313.27469	0.9
371.65494	0.6
387.16293	0.8
389.17657	2.0
401.18292	0.9
402.18625	1.6
403.19553	3.7
404.19894	1.6
405.20950	0.9
416.20563	1.0
417.16302	1.0
417.21619	3.2
418.21844	3.1
419.22684	4.2
431.18076	7.1
431.23822	1.3
432.19550	2.1
433.24170	9.5
434.24738	1.7
444.19489	0.8
445.19824	12.0
446.20776	4.8
447.21521	5.1
459.21542	4.7
460.22583	11.6
461.23322	12.9
462.23932	0.9
473.24026	3.3
474.24438	1.6
475.21423	1.4
487.24939	1.4
488.25977	0.7
491.25592	0.8
492.25369	0.9
505.22736	2.8
509.18594	0.9
533.25269	12.7
561.28900	24.5
562.29169	1.3
593.28217	2.1
607.55060	0.8
621.30804	100.0
622.30920	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.69837	0.3
54.36281	0.3
55.05505	0.3
57.07076	0.6
60.03226	0.3
67.05503	1.3
69.07074	0.4
69.32678	1.2
69.33105	1.3
71.08626	0.2
81.07072	0.5
89.06097	0.3
93.07093	0.4
95.08592	0.8
98.98466	0.7
108.49294	0.3
109.10176	0.8
119.08598	0.3
155.01024	0.4
211.13344	1.8
249.10396	0.4
280.36920	0.3
313.27335	0.5
328.03793	0.3
365.13788	0.3
373.14706	0.5
374.15384	0.4
375.16187	1.2
376.17227	0.4
383.14551	0.7
386.16141	0.4
387.16241	1.1
388.16925	1.4
389.17593	3.3
390.18436	1.4
391.19449	0.8
401.17981	0.6
402.14053	0.4
402.18936	1.5
403.19415	4.0
404.20084	3.0
405.20892	1.6
413.17883	0.5
414.18384	0.5
415.14920	0.5
415.19312	1.0
416.15784	0.5
416.20151	1.1
417.16983	2.1
417.20975	2.6
418.21628	1.2
419.22421	4.6
420.22797	0.7
427.19504	0.6
429.16235	0.5
429.20950	0.8
430.17654	0.9
430.22491	0.5
431.17752	3.8
431.22986	1.7
432.18802	1.5
433.20114	1.2
441.21017	0.4
445.20541	5.2
446.21069	3.9
447.21918	7.6
459.18057	2.1
459.22501	1.3
460.18945	1.0
461.19415	2.1
463.21692	0.4
471.17834	0.3
473.19534	1.4
473.23950	1.1
474.20377	7.7
475.21341	13.6
476.21933	0.6
477.22836	0.4
485.19528	0.4
487.21362	3.6
488.21713	1.3
501.22906	2.9
502.23904	0.4
503.20447	0.4
505.26736	1.5
518.23090	0.7
519.20477	1.1
529.22485	0.6
533.25586	8.3
546.22742	0.7
561.25018	32.7
562.25446	1.1
565.28546	0.5
589.24194	1.6
593.27393	0.9
621.27106	100.0
622.27332	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	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.66667	0.3
68.61649	0.3
70.58862	0.8
92.10439	0.3
145.98436	0.3
146.87979	0.3
209.10716	0.4
221.10857	0.5
223.12367	0.5
228.20030	0.3
245.10899	0.3
247.12567	0.3
303.30191	0.3
310.13129	0.3
340.14529	0.3
373.14529	0.6
374.15314	0.5
375.16202	1.0
376.67950	0.3
377.18228	0.3
381.63931	0.4
386.15329	0.3
387.16339	0.4
388.16910	0.9
389.17621	3.6
390.18369	0.9
391.19296	1.1
401.17673	0.6
402.14056	0.4
402.18634	1.3
403.15530	0.4
403.19461	4.5
404.20117	2.3
405.20923	2.3
415.19418	0.8
416.16385	1.1
416.20789	0.5
417.16138	3.1
417.21121	1.9
418.21573	1.0
419.22455	6.0
420.23328	0.5
429.16794	0.7
430.18085	1.2
431.18240	6.4
431.23645	0.5
432.19156	2.5
433.20209	2.4
444.19339	0.3
445.20120	7.1
446.21109	6.6
446.39441	0.3
447.21805	9.0
448.22672	0.6
457.20090	0.6
459.17233	0.8
459.21884	2.3
460.18427	0.5
460.23517	0.6
461.19260	1.5
463.21539	0.4
473.19531	1.1
473.24472	0.6
474.20496	5.4
475.21362	6.6
487.21417	3.1
488.21869	0.7
490.24020	0.4
491.20032	1.4
501.22964	1.4
505.25848	1.4
518.22974	0.3
519.19708	0.7
533.25562	14.2
559.79639	0.3
561.25006	21.6
562.25641	0.9
589.24664	1.5
593.27521	3.6
621.27100	100.0
622.27216	3.1
633.77930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.43382	0.4
69.46545	2.7
88.66870	0.4
177.99507	0.4
223.76068	0.4
373.14734	0.5
374.15421	0.8
375.16010	0.6
387.16397	0.9
388.16885	1.0
389.17722	2.7
390.18237	1.2
391.19977	0.5
401.17899	1.4
402.18524	1.2
403.19601	3.5
404.20172	2.2
405.20718	2.3
415.19528	0.7
416.15787	0.8
416.20554	1.0
417.17114	3.1
417.21155	2.1
418.21576	1.2
419.22479	6.1
420.23270	0.6
427.92618	0.4
429.17096	0.8
430.18054	1.4
431.18280	6.3
432.19250	2.2
433.20212	2.1
445.20209	5.4
446.21030	4.8
447.21820	6.4
448.22375	0.7
457.20340	0.5
459.22928	2.5
461.19592	0.9
463.21356	0.5
473.19235	1.1
473.24332	0.5
474.20297	4.9
475.21146	5.9
477.22342	0.5
487.21347	2.1
488.22507	0.8
491.20175	0.5
501.23035	1.5
505.26212	1.2
519.20770	0.4
529.21942	0.6
533.25519	10.1
546.22791	0.6
561.16205	0.8
561.24963	16.1
562.25500	1.0
589.24609	1.4
593.27557	3.9
621.27100	100.0
622.27332	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	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77070	1.2
51.44756	0.9
63.58419	0.8
69.27842	2.5
69.28247	6.5
75.67281	1.0
118.60154	0.9
130.89513	1.0
186.08000	1.1
189.05481	1.0
193.07628	0.9
209.10843	1.3
303.96289	0.9
337.15527	0.9
373.14719	1.0
375.16049	1.9
387.16019	1.6
388.17090	2.6
389.17728	4.7
390.18228	1.9
401.18030	2.3
402.18839	2.0
403.19461	8.8
404.19995	3.9
405.20944	4.2
405.49603	0.9
415.19604	1.6
417.16910	4.3
417.21088	3.6
418.21939	2.1
419.22250	10.6
420.22687	1.3
429.16632	1.9
430.17560	2.0
431.18097	10.1
432.19452	4.3
433.20251	2.8
445.20224	11.1
446.20984	7.3
447.21872	14.3
459.17160	1.5
459.22238	3.1
460.23151	1.5
461.19464	1.2
466.00775	1.0
473.19299	2.6
474.20386	15.1
475.21243	21.6
476.21649	2.0
487.20972	5.0
488.21997	2.3
501.22940	3.5
502.23834	1.2
505.26263	1.9
517.22290	1.3
529.22571	2.2
533.25476	18.9
546.22754	1.2
561.24976	93.9
562.25336	3.9
577.58264	1.1
589.24426	1.9
593.27722	5.6
621.27100	100.0
622.27448	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	621.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.0
53.03930	2.6
55.01875	64.3
55.05497	4.8
56.46444	1.8
57.03442	2.3
65.03922	4.6
67.05508	2.1
68.79178	2.0
69.03437	19.3
70.06602	2.4
70.97539	2.1
71.04978	2.8
71.10180	3.6
73.02922	1.8
73.36887	1.7
74.61384	1.9
79.01850	4.2
79.05484	2.1
81.03424	14.9
83.04998	13.9
85.02902	21.8
87.00850	5.4
91.05489	3.4
92.07508	1.8
93.03425	4.1
95.01300	2.2
97.02892	14.5
99.04438	3.7
103.05470	23.7
105.01845	2.6
105.07011	4.0
107.05004	2.1
108.02087	3.5
109.02895	13.8
111.04459	8.2
115.05471	14.2
117.07020	2.5
119.04942	2.9
121.02869	2.7
122.03638	6.1
125.02377	2.2
125.05991	6.2
127.03899	19.0
131.04944	95.3
133.02872	2.2
133.06500	6.5
133.86263	2.0
137.02390	4.2
137.05991	100.0
139.03914	6.0
141.05606	2.0
143.03372	4.2
143.04929	14.2
145.02834	5.5
145.04962	3.6
147.04410	8.4
148.05211	2.3
149.05975	5.3
151.03925	96.9
151.05037	9.7
151.10524	2.1
153.01851	58.6
153.02939	3.5
153.05455	5.7
154.02184	21.6
155.02242	12.8
157.04875	2.7
159.02931	3.9
159.04424	8.1
160.05196	8.1
161.05981	21.1
163.07556	98.5
167.07115	2.9
175.07570	47.3
176.04630	3.1
177.05513	11.0
179.07034	11.7
187.06052	3.7
187.07550	2.2
189.05434	3.0
191.07001	11.8
193.04976	2.6
193.08560	13.1
203.06961	11.5
219.06561	5.0
221.05959	4.1
221.08101	76.0
229.04930	3.5
256.57639	2.3
259.09668	37.3
265.08685	2.8
275.12985	2.3
293.08121	2.4
297.11234	3.4
303.05029	50.5
304.05295	6.8
305.05399	3.4
343.11749	6.3
346.57669	2.3
355.11807	13.3
373.12857	41.3
621.18030	22.9
641.51440	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
55.18219	0.6
57.03437	1.4
57.07068	1.4
67.05524	2.9
69.07060	1.1
71.08614	1.7
71.50172	0.9
71.50590	0.7
79.05515	1.0
81.03438	0.7
81.07062	2.1
83.08610	0.9
91.05489	1.1
93.07038	1.0
95.05006	0.6
95.08612	1.5
97.06569	0.7
98.98492	1.9
105.07018	1.2
107.08613	0.9
109.10174	2.7
119.08578	0.7
120.53023	0.5
133.10190	0.9
136.07550	0.5
149.72916	0.6
155.01007	1.3
211.13335	3.7
211.15176	0.7
249.58667	0.6
277.95087	0.6
286.13492	0.8
291.19507	0.9
313.27386	1.0
375.16217	1.2
383.14575	1.2
387.16318	0.8
388.17026	0.8
389.17642	2.3
390.18591	1.2
391.19400	1.1
401.18021	1.2
402.18542	2.0
403.19653	4.9
404.20096	1.9
405.20935	2.1
415.19482	0.9
417.17081	3.2
417.21085	2.6
419.22464	7.5
420.23178	1.1
431.18335	6.5
432.19324	2.2
433.20547	1.7
445.20065	5.5
446.20999	5.9
447.21866	9.2
448.22449	0.7
457.20615	0.8
459.22226	2.0
460.18625	1.0
461.19858	1.8
473.19986	1.7
473.67328	0.7
474.20486	6.6
475.21198	8.7
487.21170	4.0
488.21744	0.9
491.20712	1.2
492.25403	0.7
501.22824	2.1
505.26010	1.8
505.39288	0.9
518.23596	0.9
519.22296	0.7
523.39856	3.3
529.23016	0.8
533.25531	12.3
533.33154	1.1
561.25000	34.7
562.25604	1.6
589.24335	1.8
593.27588	3.9
621.27118	100.0
622.27179	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.19407	0.4
55.05513	0.9
60.26822	0.3
64.94034	0.4
65.03936	0.6
67.05497	1.4
68.99794	0.5
69.03423	2.3
69.07059	0.6
69.30011	3.4
71.04995	24.2
73.02904	0.5
79.05495	0.8
81.03415	4.7
81.07053	1.6
83.04984	0.6
83.08591	0.4
85.02921	2.2
85.06541	4.6
91.05468	1.8
93.07034	0.9
95.04988	1.9
95.08592	0.7
97.02904	2.4
97.10155	0.8
99.04449	1.0
105.07013	1.8
107.04945	0.9
107.08570	0.9
107.17620	0.4
109.02912	2.4
110.72279	0.4
111.00705	0.4
111.04402	0.5
111.08070	0.4
113.06037	3.8
116.91260	0.4
117.07042	0.6
119.04919	0.9
119.08583	0.9
121.02850	3.2
121.06574	0.5
121.10123	0.9
123.11718	0.5
127.03892	2.6
127.07551	9.6
129.07008	0.7
131.04929	0.8
131.07047	3.5
131.08537	0.5
133.02856	0.6
133.10144	0.9
135.11720	0.4
137.02347	0.9
137.05984	1.4
145.04970	1.2
145.08603	47.8
147.04388	3.9
147.11720	0.6
151.03889	1.0
151.07526	1.0
153.01872	3.4
155.07001	0.5
157.06477	0.6
161.05963	0.4
163.07512	0.4
163.11229	0.4
165.01831	1.6
165.09114	0.7
173.05923	0.6
177.05469	0.4
185.07996	0.9
187.05945	0.6
191.09048	0.8
203.07095	0.6
213.05444	1.5
231.06416	0.6
241.04868	0.5
245.09557	0.5
257.10126	0.9
258.05258	1.1
287.05505	100.0
288.05774	1.2
299.11206	0.6
305.11798	0.5
317.12347	0.9
321.11133	0.8
329.06537	5.0
333.11200	0.5
347.79443	0.4
350.76102	0.4
365.14023	0.8
383.14951	1.5
395.07648	0.9
459.17972	0.8
567.21875	0.5
578.29803	0.5
621.33057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01847	1.6
55.05498	5.3
57.07064	4.1
65.03916	1.3
67.05511	9.2
68.62756	1.1
69.07056	5.7
71.50193	1.7
72.81001	1.3
73.74023	1.4
79.05486	8.6
81.07055	18.1
81.58100	1.7
82.07363	1.6
83.04984	3.3
83.08596	3.4
85.02876	1.5
85.06480	1.5
91.05480	22.0
93.07051	15.4
95.04957	4.4
95.08608	23.7
97.06501	4.3
97.10123	1.6
99.08077	2.4
105.07029	20.5
107.08595	24.8
108.08992	1.4
109.06504	3.6
109.10164	18.2
111.08050	2.3
117.07014	4.7
117.36937	1.5
119.04945	22.3
119.08591	24.5
121.06496	3.2
121.10163	22.8
121.31956	1.4
122.10452	1.6
123.08060	4.3
123.11702	8.0
125.06008	3.9
129.06978	2.7
131.08560	8.6
133.10138	27.0
135.11725	10.7
136.08327	1.5
137.13182	2.0
143.08524	6.3
144.09212	1.4
145.10117	16.6
146.10484	1.7
147.04414	100.0
147.07967	2.2
147.11691	17.2
149.09618	2.0
149.13269	9.4
153.01843	3.4
157.10188	6.7
159.11719	9.5
161.13239	7.7
163.11163	7.2
163.14793	10.4
164.11562	2.3
165.05487	15.2
169.10153	3.5
171.11647	4.2
173.13286	5.5
175.11340	1.4
175.14835	7.7
177.09084	2.0
177.16360	5.2
181.12227	7.5
182.12456	1.9
183.11699	2.4
185.13219	2.6
187.14836	7.4
189.16371	11.5
191.14330	1.7
191.17978	3.8
193.16006	1.4
195.11794	1.6
197.13257	2.8
201.16313	12.0
203.18004	16.6
205.15891	2.4
207.17398	5.3
215.18045	7.7
217.19441	1.8
221.18976	1.8
224.15219	1.5
225.16318	2.3
229.19522	2.3
235.16962	2.4
247.16971	5.2
261.18427	2.6
295.24213	1.8
313.25223	1.9
325.48294	1.7
351.30280	2.8
378.37982	1.7
391.33450	3.6
397.30945	2.9
409.34641	14.8
437.34256	7.4
455.35068	4.9
555.03333	1.7
575.09167	1.8
601.38422	4.7
619.38599	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3998
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
53.03940	2.5
55.01847	1.6
55.05498	5.3
57.07064	4.1
65.03916	1.3
67.05511	9.2
68.62756	1.1
69.07056	5.7
71.50193	1.7
72.81001	1.3
73.74023	1.4
79.05486	8.6
81.07055	18.1
81.58100	1.7
82.07363	1.6
83.04984	3.3
83.08596	3.4
85.02876	1.5
85.06480	1.5
91.05480	22.0
93.07051	15.4
95.04957	4.4
95.08608	23.7
97.06501	4.3
97.10123	1.6
99.08077	2.4
105.07029	20.5
107.08595	24.8
108.08992	1.4
109.06504	3.6
109.10164	18.2
111.08050	2.3
117.07014	4.7
117.36937	1.5
119.04945	22.3
119.08591	24.5
121.06496	3.2
121.10163	22.8
121.31956	1.4
122.10452	1.6
123.08060	4.3
123.11702	8.0
125.06008	3.9
129.06978	2.7
131.08560	8.6
133.10138	27.0
135.11725	10.7
136.08327	1.5
137.13182	2.0
143.08524	6.3
144.09212	1.4
145.10117	16.6
146.10484	1.7
147.04414	100.0
147.07967	2.2
147.11691	17.2
149.09618	2.0
149.13269	9.4
153.01843	3.4
157.10188	6.7
159.11719	9.5
161.13239	7.7
163.11163	7.2
163.14793	10.4
164.11562	2.3
165.05487	15.2
169.10153	3.5
171.11647	4.2
173.13286	5.5
175.11340	1.4
175.14835	7.7
177.09084	2.0
177.16360	5.2
181.12227	7.5
182.12456	1.9
183.11699	2.4
185.13219	2.6
187.14836	7.4
189.16371	11.5
191.14330	1.7
191.17978	3.8
193.16006	1.4
195.11794	1.6
197.13257	2.8
201.16313	12.0
203.18004	16.6
205.15891	2.4
207.17398	5.3
215.18045	7.7
217.19441	1.8
221.18976	1.8
224.15219	1.5
225.16318	2.3
229.19522	2.3
235.16962	2.4
247.16971	5.2
261.18427	2.6
295.24213	1.8
313.25223	1.9
325.48294	1.7
351.30280	2.8
378.37982	1.7
391.33450	3.6
397.30945	2.9
409.34641	14.8
437.34256	7.4
455.35068	4.9
555.03333	1.7
575.09167	1.8
601.38422	4.7
619.38599	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3998
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
50.08481	1.6
55.05510	6.4
57.07076	3.3
62.29528	1.5
63.72855	1.4
67.05509	8.2
69.07062	5.7
69.28331	3.4
69.28734	9.1
79.05494	6.2
81.07071	15.5
83.08637	7.3
87.04478	1.8
91.05490	18.0
93.07060	12.3
95.04961	1.4
95.08618	25.5
97.10200	2.9
98.20794	3.1
105.07039	15.4
107.08599	16.4
109.10188	10.0
111.14924	1.5
117.07035	2.1
119.04967	25.5
119.08591	26.8
121.10160	22.3
123.08082	1.6
123.11724	10.3
131.08582	5.1
133.10136	18.1
135.11716	9.2
137.13260	2.2
143.08534	4.8
145.10129	9.4
147.04427	100.0
147.11690	14.0
149.13222	7.8
157.10162	1.9
159.11711	9.0
161.13297	6.4
163.14827	5.3
165.04189	2.2
165.05505	31.2
171.11728	2.0
173.13263	4.5
175.14793	10.4
177.16425	13.1
183.11787	2.3
187.14859	3.9
189.16391	18.3
191.17920	6.7
199.14778	2.1
201.16360	13.0
203.17960	22.1
205.15955	5.0
207.17456	4.6
211.13307	1.8
213.16391	3.5
215.17969	17.6
217.19644	2.0
227.18082	2.0
231.17273	1.6
235.16968	2.7
247.16962	5.7
249.18478	2.3
253.19566	1.9
261.18597	13.6
287.19684	1.9
295.24124	2.5
299.20178	2.4
391.33792	8.8
409.34824	8.1
411.32556	5.9
415.91202	1.8
437.34268	27.9
460.17090	1.6
539.37274	1.6
619.42590	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	619.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
55.05515	4.4
57.07082	12.6
66.03212	2.0
67.05510	12.1
68.98679	1.9
69.07056	4.0
69.55135	8.4
69.55560	7.7
77.81588	2.2
79.05493	9.6
81.07072	13.7
81.07485	2.6
87.04473	100.0
88.04804	11.5
88.47523	2.0
89.06023	4.4
91.05488	11.3
93.07040	8.1
95.08626	12.3
95.09129	2.2
98.20831	4.7
105.07015	9.5
107.08594	12.7
109.10139	10.2
117.07018	4.9
119.04942	8.5
119.08587	13.4
121.06496	3.3
121.10178	7.2
129.06990	2.0
131.08559	4.0
133.10133	7.8
135.11650	3.5
145.10107	6.1
147.04437	24.2
147.11626	5.1
149.13239	3.8
153.01888	4.6
155.98442	2.4
157.10092	3.8
159.11681	6.0
165.05461	3.5
172.48196	2.3
177.16432	4.6
189.16444	5.1
201.16333	4.9
203.17943	5.9
205.15800	2.8
211.13243	5.7
215.17941	4.6
219.12273	2.6
256.16599	2.6
261.12604	2.4
277.21692	3.1
278.21967	3.1
383.14664	3.2
406.75452	2.3
437.34052	7.2
521.33630	5.4
619.43030	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.05511	6.3
57.07064	2.6
58.05061	1.5
65.03938	2.4
67.05499	6.0
69.07069	7.3
70.60847	1.2
71.50425	1.7
73.76926	1.3
79.05483	6.2
81.07056	16.8
83.08134	1.2
83.08621	6.5
87.04494	8.1
88.04814	1.8
91.05482	14.6
93.07051	13.9
95.04955	2.4
95.08618	25.0
97.10151	2.4
101.89846	1.3
105.07038	13.7
107.07978	1.9
107.08610	18.8
109.10151	11.1
117.07013	1.9
119.04951	21.3
119.08585	30.1
121.10140	15.2
123.11735	7.1
129.06999	1.7
131.08572	6.0
132.50607	1.3
133.10138	16.7
135.11700	11.1
137.13225	3.4
138.84015	1.4
141.06892	1.6
143.08600	3.1
145.10126	10.8
147.04419	100.0
147.11685	12.7
149.13272	8.0
153.01810	1.4
153.09151	1.9
157.10091	2.8
159.11690	9.3
161.13274	8.7
163.14771	6.9
165.04189	2.4
165.05490	30.0
171.11710	1.7
173.13312	5.8
173.73872	1.3
175.14825	12.1
177.16383	10.3
183.11697	2.2
187.14845	5.3
189.16389	26.8
191.17970	6.5
199.14742	2.5
201.16402	21.4
203.17970	30.6
203.73521	1.3
207.17497	4.3
211.13332	5.1
213.16396	6.3
215.17949	13.9
217.19502	2.0
227.17879	2.4
229.19447	2.6
235.16902	2.7
241.19516	1.8
243.21024	1.8
247.16994	3.0
253.19530	2.6
259.16672	2.0
261.18454	5.3
333.15234	1.9
373.13821	1.4
391.33328	7.9
391.44675	1.5
409.34714	11.0
411.32550	6.1
437.34198	25.6
619.42017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
55.05516	7.5
56.41617	2.3
57.07087	13.8
67.05505	9.8
69.07058	4.9
69.18752	2.5
79.05489	8.0
81.07066	12.2
87.04474	100.0
88.04801	11.5
89.06027	3.9
91.05497	13.1
93.07045	11.7
95.05001	3.0
95.08608	14.7
97.02921	2.3
97.06535	2.3
105.07021	8.5
107.08614	11.7
109.10162	10.8
117.07037	3.3
119.04921	8.0
119.08590	16.5
121.06494	5.1
121.10159	9.4
123.11715	3.3
131.08566	6.1
133.08652	3.1
133.10139	5.9
135.11697	6.9
143.08611	3.1
145.10059	6.1
147.04422	31.6
147.11688	8.0
155.01045	2.8
157.10062	3.4
159.11664	6.2
163.41452	2.7
165.05492	7.8
175.14903	4.1
177.16426	4.6
189.16394	6.1
192.73816	2.8
201.16406	5.6
203.17966	7.3
205.16010	3.9
211.13319	7.4
215.17979	3.1
261.18405	4.8
409.34283	2.9
411.32721	2.7
437.34131	10.0
521.33765	3.3
619.25067	2.6
619.42621	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	619.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90692	0.7
55.05516	5.1
57.03436	1.7
57.07075	0.8
61.02924	4.1
65.16077	0.8
67.05492	4.0
69.03427	2.3
69.07072	4.9
69.20862	1.0
69.21201	7.8
71.01351	1.4
73.02924	42.2
75.54240	0.8
79.05487	5.8
81.03398	0.9
81.07056	11.2
83.08618	3.3
85.02905	2.2
85.06556	1.3
87.04523	1.0
91.05473	8.1
93.07058	10.3
95.04990	1.2
95.07999	1.1
95.08613	21.5
97.02898	2.4
97.06519	1.7
97.10201	1.4
99.08102	6.8
103.05517	1.0
105.07036	25.3
107.08592	16.0
109.06510	1.1
109.10168	7.2
115.03944	4.4
115.05446	0.9
115.23804	0.7
117.07048	2.9
119.08588	34.1
121.10165	12.4
123.08063	0.8
123.11718	2.5
125.05980	2.7
128.06236	0.7
129.06987	1.9
131.04930	6.1
131.08580	14.7
133.06538	0.9
133.10139	20.4
135.11700	16.3
137.13510	0.7
143.08536	3.9
144.09363	1.1
145.10115	8.1
147.08064	5.7
147.11700	14.8
149.05991	17.0
149.13255	3.9
151.11156	1.1
153.01875	1.9
155.08530	0.9
157.10107	2.5
159.08034	1.0
159.11703	3.9
160.12502	1.2
161.09610	1.4
161.13272	4.3
163.14832	2.9
169.10158	1.0
171.11693	2.2
173.13274	12.2
175.11217	3.2
175.14792	3.9
183.11711	2.2
185.13243	3.2
187.14839	6.2
189.16393	100.0
191.14297	1.7
191.17958	44.8
197.13367	1.3
199.14838	1.7
201.12822	6.7
201.16240	1.3
203.14305	3.1
203.17926	0.9
205.19559	1.1
207.17461	27.8
209.13385	1.1
211.14862	1.3
213.16324	1.9
215.14206	1.0
215.17969	1.2
217.15843	2.0
219.13806	26.6
231.17596	0.9
237.14929	2.0
267.03809	0.9
271.20560	1.1
275.30304	0.8
321.20627	2.5
339.21683	30.5
351.17996	1.6
405.31393	3.4
407.32877	1.3
423.32617	26.6
425.34250	1.6
441.27985	1.3
441.33698	20.5
469.32593	1.0
555.36469	2.3
557.38110	2.8
573.37927	36.7
575.39203	2.2
601.37793	1.8
619.29718	0.9
619.38696	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	619.3846
Annotation	Cimiaceroside A
Peak:m/z	Relative Intensity
53.03940	2.4
55.05506	6.4
57.03426	3.1
57.07064	2.2
59.26717	1.4
61.02919	5.6
67.05515	10.4
69.03413	3.7
69.07070	11.4
71.01324	1.7
71.04991	3.7
71.50217	2.0
73.02517	2.9
73.02918	44.1
76.56497	1.4
79.05489	10.2
81.03417	3.9
81.07053	21.1
83.04976	3.1
83.08616	5.4
85.02912	2.4
91.05479	16.3
93.07049	22.5
95.04956	7.4
95.08609	29.4
97.02889	4.8
97.06522	3.6
97.10177	2.7
99.08092	10.2
103.05469	2.3
105.07030	41.7
107.04878	2.2
107.08597	26.8
109.02832	1.7
109.06518	3.3
109.10178	14.1
111.08073	4.1
115.03922	5.4
115.05454	1.7
116.06184	1.6
117.07013	5.6
119.04987	1.5
119.08578	47.1
121.06506	2.6
121.10155	23.4
123.08039	2.3
123.11696	6.3
125.05996	3.2
125.09582	1.4
127.07555	1.9
128.06239	5.6
128.67043	1.3
129.07022	4.1
131.04927	5.1
131.08572	18.5
133.04955	2.0
133.10124	29.5
135.08054	2.8
135.11711	18.9
137.13264	1.5
139.07585	2.8
143.08556	33.0
145.06485	1.9
145.10121	18.1
147.08081	7.8
147.11685	17.8
149.05975	10.0
149.09535	1.8
149.13263	6.2
151.11136	2.5
153.01848	9.3
155.08572	4.8
156.07306	1.4
157.10101	8.6
159.11703	11.3
161.09677	2.7
161.13303	8.1
163.03867	1.8
163.11194	2.5
163.14798	5.0
169.10094	4.6
171.11720	7.6
173.06041	2.2
173.09615	1.8
173.13274	23.9
175.11209	3.5
175.14839	10.6
181.10106	2.6
183.11687	6.6
185.13254	5.5
187.07570	1.7
187.14822	14.0
189.05524	2.5
189.16394	100.0
191.14317	5.7
191.17958	39.7
193.15878	2.6
195.11670	3.5
197.13306	3.2
199.11220	2.7
199.14835	5.4
201.12740	6.4
201.16426	5.4
203.14331	5.3
203.17964	2.4
205.15947	2.5
207.17441	26.9
209.13261	2.9
211.14859	2.5
213.16357	4.8
215.14363	3.9
215.17947	1.5
217.15987	3.5
219.13817	18.4
221.15488	1.7
225.16429	2.9
226.38988	1.9
227.17825	1.8
229.15916	1.9
231.17479	2.5
233.15387	1.8
237.16521	1.8
243.13936	3.0
285.15039	1.8
285.18356	1.8
301.14319	5.8
321.20511	1.7
333.25748	3.9
339.21649	20.2
375.17682	1.7
405.31680	11.0
407.33096	1.8
423.32574	22.7
433.30597	3.2
441.33719	15.2
451.32202	8.3
469.33105	6.1
487.34195	5.1
541.26703	2.3
555.36511	5.8
557.37952	2.3
559.26807	1.8
573.37976	29.0
601.36371	3.0
619.28955	19.7
619.37946	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	619.3844
Annotation	Gamboukokoenside B
Peak:m/z	Relative Intensity
53.03940	1.7
55.01901	1.6
55.05501	6.6
57.03436	7.8
60.66508	1.6
61.02932	9.9
65.03945	1.8
67.05495	10.1
69.03427	6.4
69.07063	7.1
70.09871	6.3
71.01342	2.8
71.04978	2.4
73.02920	80.7
78.24384	1.5
79.05486	7.7
80.50830	1.7
81.03430	2.5
81.07055	14.0
83.04991	4.0
83.08619	5.5
85.02897	8.1
85.06573	2.6
91.05483	12.6
93.07038	18.1
95.04968	6.3
95.08614	27.1
97.02931	3.9
97.06548	2.0
99.08094	12.3
100.14695	1.5
105.07046	21.7
107.04973	2.1
107.08593	26.7
109.06538	2.8
109.10150	12.7
111.04439	1.9
111.08089	2.5
115.03922	7.3
116.23062	1.5
117.06997	3.6
119.04979	2.1
119.08589	44.0
119.09386	3.0
121.06506	4.0
121.10150	17.1
121.57444	1.6
123.08039	2.2
123.11715	8.1
125.09641	2.0
129.05334	1.6
129.07120	1.5
131.08562	9.4
133.06514	5.3
133.10149	24.7
135.08043	3.9
135.11679	14.9
137.09624	1.8
143.08592	6.1
145.10141	15.6
147.04453	5.8
147.08105	2.0
147.11702	12.1
149.09618	2.0
149.13292	5.2
151.11194	2.7
153.01871	8.1
157.10144	5.0
159.11754	7.4
161.09636	22.2
161.13298	6.4
163.07596	5.9
163.14862	3.5
169.10094	2.9
171.11708	6.2
173.09657	4.0
173.13272	14.1
175.11191	3.5
175.14816	22.0
177.12796	3.2
177.16414	5.1
181.10300	1.9
183.11755	4.1
185.09679	2.0
185.13293	7.1
187.11232	4.0
187.14830	33.5
189.16379	28.2
191.14371	2.4
191.18007	5.3
193.16037	2.4
197.13277	3.7
199.11266	2.0
199.14882	5.7
201.12836	3.8
201.16470	2.8
203.14400	1.9
205.12451	1.8
205.15968	4.2
207.17537	4.4
209.13217	1.9
211.14821	3.6
213.16501	2.9
215.14333	8.1
217.15915	13.8
220.29512	1.8
229.15970	2.7
231.17516	3.7
233.15425	15.6
233.62225	1.6
235.16989	7.9
237.16348	2.8
255.17523	2.6
283.20657	2.0
287.20111	6.2
333.25964	2.2
351.26724	2.5
405.31741	7.5
423.32678	19.2
441.33731	14.3
451.32272	8.6
469.33124	54.4
487.34247	17.4
557.31616	2.6
573.37872	27.5
619.31183	4.3
619.38538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02686	2.1
53.03951	2.6
53.49690	2.0
55.01870	12.2
55.05516	24.6
57.03445	13.9
57.07063	7.5
66.57886	2.0
67.05508	49.7
69.03401	2.0
69.07070	26.4
69.92146	4.7
69.92543	3.7
71.08617	7.2
73.02905	2.4
79.05492	13.0
81.07058	23.0
83.04980	3.5
83.08623	22.7
85.02891	2.5
87.04484	9.3
91.05467	16.5
93.07043	15.6
95.08616	15.8
96.69110	2.0
97.06533	4.4
97.10157	10.6
98.98464	50.7
99.08027	1.9
105.07028	5.6
107.08581	7.2
109.10167	30.5
111.08101	4.1
119.08548	10.2
121.10145	6.8
123.08012	2.3
125.09657	2.2
133.10190	2.7
135.08078	2.3
135.11702	6.8
136.99994	2.7
137.09613	3.1
139.11249	2.4
147.11719	4.3
149.13165	2.2
153.01759	2.1
153.09123	3.3
155.01041	40.2
155.10622	3.6
157.10040	2.0
165.12711	3.0
173.11823	10.3
183.00563	11.0
187.10976	2.0
193.12251	3.4
211.13283	100.0
222.11633	2.1
229.14330	11.1
237.22125	7.1
291.09869	2.8
309.10892	14.6
311.25797	29.8
365.13565	14.4
383.14743	20.3
421.05356	2.0
426.38684	2.1
447.26031	2.0
447.34503	4.3
465.35809	8.9
520.10986	2.3
521.38318	5.8
619.26263	2.2
619.35767	8.1
619.44910	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	618.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.01882	5.0
55.05269	3.3
55.05518	44.0
57.07070	6.5
65.03938	6.6
67.05506	27.4
69.03429	10.4
69.07066	20.1
70.01762	2.2
71.04998	7.5
79.05498	31.6
81.07062	46.9
83.05001	18.6
83.08625	62.9
85.06548	8.3
87.04443	3.1
91.05489	59.3
91.06028	4.0
93.07050	66.3
95.04972	33.1
95.08614	32.1
97.06538	26.2
99.04461	8.9
103.05494	6.9
105.04537	3.3
105.07040	100.0
107.04961	7.9
107.08605	71.1
108.09361	2.5
109.06532	14.7
109.10175	24.8
111.08088	7.0
113.09650	10.4
115.05498	6.1
116.06241	4.0
117.07013	25.2
117.19202	2.1
119.04975	4.6
119.08594	85.4
121.06546	14.0
121.10155	48.1
123.08072	20.1
123.11710	7.6
125.09637	19.8
128.06230	13.1
129.07011	24.9
130.07796	9.4
131.08580	51.6
132.09331	5.1
133.06563	4.4
133.09142	3.0
133.10138	54.1
135.08054	13.4
135.11694	12.5
137.09647	5.3
139.11227	16.3
141.06985	11.9
142.07791	25.2
143.08583	51.4
144.09381	12.2
145.06522	7.9
145.10136	77.1
146.10883	3.2
147.04433	5.3
147.08063	13.3
147.11694	21.9
149.09628	13.7
149.13284	4.9
151.07579	3.1
151.11200	2.8
153.07059	4.2
154.07825	3.8
155.08597	18.8
155.10689	14.7
156.09355	20.5
157.10141	71.0
158.10864	9.4
159.08061	14.2
159.11699	31.9
160.08846	13.2
161.09605	14.4
161.13219	4.6
163.11226	7.7
163.14812	2.5
164.22633	2.3
165.06987	9.0
165.12888	4.2
166.07803	3.1
167.08586	10.3
167.10742	13.8
168.09361	7.5
169.10138	31.9
170.10919	10.4
171.08133	2.6
171.10287	3.4
171.11703	36.3
172.12486	5.6
173.09674	10.9
173.13266	16.4
175.11221	11.8
175.14803	4.3
177.12759	4.0
179.08566	13.3
179.14349	6.9
180.09354	6.4
181.10176	22.0
181.12192	24.5
182.10965	13.1
183.11725	27.1
183.13380	3.1
184.12498	6.1
184.87238	2.1
185.09641	6.6
185.13266	22.3
186.14148	3.8
187.11237	4.2
187.14822	7.6
189.12735	5.9
190.13545	2.5
191.14371	12.7
192.09386	5.2
193.10155	17.4
194.10915	7.4
195.11732	27.4
196.12515	10.2
197.13278	40.0
198.14034	3.3
199.11205	5.8
199.14870	16.6
201.12973	2.6
201.16489	4.2
203.14378	6.3
205.10204	6.2
206.10921	6.5
207.11720	22.0
207.13651	4.2
208.12509	5.7
208.14435	3.5
209.13283	23.3
209.15245	4.1
210.14041	5.4
211.11351	2.4
211.14851	20.2
212.11983	3.3
213.12801	9.7
213.16370	6.5
215.14304	17.4
217.10143	2.3
217.16008	3.4
218.16672	3.7
219.11694	6.2
220.12505	7.8
221.13268	16.0
221.15428	18.9
222.14044	5.5
223.14877	14.6
224.15707	2.4
225.12761	5.4
225.14825	9.3
225.16533	7.8
227.14308	8.0
229.15837	3.0
230.10912	3.3
231.11694	4.9
232.12454	3.2
233.13245	8.5
233.15414	40.1
234.13914	3.4
234.16158	2.5
235.14882	10.7
237.16487	14.9
239.14326	4.3
241.15881	5.4
245.13248	5.5
245.15465	3.0
247.14745	5.4
247.17059	4.8
248.15633	2.9
249.16269	11.3
251.17955	4.3
253.15939	5.4
253.19505	4.2
255.17448	29.4
257.13272	4.3
257.19250	2.8
259.14816	5.9
260.15674	4.1
261.16461	8.8
263.17966	8.2
265.19568	5.0
267.17593	3.9
269.18979	5.0
270.19873	6.4
271.20621	4.6
272.15469	2.4
273.16132	4.3
273.18729	5.6
275.17914	6.1
276.18579	2.9
277.19580	3.9
279.17508	3.2
281.19086	5.5
282.19818	5.2
283.20361	2.9
285.18698	3.7
286.19553	3.5
287.20303	4.1
289.19470	4.0
293.19104	2.9
295.20569	2.8
296.21252	3.0
299.20184	5.2
331.24173	3.6
333.22363	3.6
337.25180	4.6
345.22440	3.2
347.23608	4.4
351.22964	3.3
365.24756	7.5
367.26251	4.6
375.05154	2.4
383.25888	10.8
399.26852	2.5
414.29245	5.5
429.31604	4.4
429.50330	2.7
457.31277	2.9
600.42029	3.6
618.43610	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	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.8
55.01874	6.4
55.05515	56.0
57.07067	10.0
59.04992	5.4
65.03938	7.2
67.05511	34.5
68.59343	2.0
69.03430	14.8
69.07074	23.0
71.04998	7.8
71.69888	1.9
79.05495	39.2
80.06284	3.7
81.03419	2.6
81.07059	50.9
83.04982	24.7
83.08625	71.9
83.17246	2.4
85.06531	9.5
87.04491	2.7
91.04908	3.3
91.05482	58.5
93.06492	3.7
93.07053	63.9
95.04979	20.5
95.08620	36.7
96.28726	2.3
97.06546	19.7
98.01895	2.4
99.04445	4.2
99.08098	3.4
103.05450	6.6
105.07037	100.0
107.04955	6.4
107.08604	67.6
108.70139	2.1
109.06544	18.6
109.10158	32.8
111.08070	10.2
113.05976	2.8
113.09629	12.7
115.05454	5.0
116.06225	5.3
117.07034	23.1
119.04942	2.5
119.08588	92.5
121.06509	15.4
121.10155	53.7
123.08059	20.8
123.11690	6.9
125.05939	3.3
125.09643	19.5
128.06195	13.4
129.07033	20.6
130.07791	12.1
130.59731	2.3
131.08582	45.6
132.09384	5.2
133.06512	4.8
133.07536	3.2
133.10143	57.1
135.08061	13.6
135.11679	16.5
137.09593	7.5
139.11188	18.2
141.06990	10.4
142.07779	25.0
143.08575	57.7
144.09366	15.3
145.06477	8.3
145.10133	78.8
147.04427	7.0
147.08080	14.5
147.11670	23.4
148.03458	2.0
149.09615	15.2
151.07541	3.2
151.11180	3.1
153.06981	4.5
154.07826	5.5
155.08592	23.0
155.10664	15.8
156.09367	25.2
156.79713	2.8
157.10136	73.8
158.10878	9.8
159.08109	17.3
159.11710	43.7
160.08832	14.3
161.09630	19.3
161.13240	8.7
163.11166	9.2
165.07007	6.2
165.09102	6.0
165.12746	2.5
165.89330	2.2
166.07799	2.5
167.08554	13.3
167.10687	24.5
168.09390	7.2
169.08722	4.0
169.10114	34.7
170.10962	11.4
171.08049	3.8
171.10312	3.8
171.11685	39.9
172.12466	4.0
173.09641	10.2
173.13261	19.2
175.11195	13.6
175.14877	4.8
177.12814	2.8
178.07719	2.7
179.08519	14.1
179.14288	9.4
180.09364	5.6
181.10141	19.6
181.12253	29.5
182.10965	17.5
183.11703	30.0
184.12457	9.6
185.09618	5.7
185.13228	24.9
186.14030	4.4
187.11192	8.2
187.14842	10.0
188.12016	2.7
189.12715	8.0
190.13541	4.3
191.08620	2.6
191.14302	9.0
192.09363	5.6
193.10172	20.5
194.10925	13.2
195.11758	27.6
195.13519	4.0
196.12512	11.3
197.09665	4.1
197.13289	39.1
198.13887	6.2
199.11162	8.9
199.14882	21.3
200.11935	2.5
201.12758	6.5
201.16330	4.7
202.07893	3.2
203.14337	4.7
205.10037	6.1
206.10950	7.3
207.11679	20.8
207.13811	8.7
208.12456	10.0
208.14468	5.4
209.13261	27.1
209.15311	6.0
210.14046	7.2
211.11224	4.4
211.14862	23.3
212.15561	3.8
213.12720	8.1
213.16331	7.5
215.14359	20.0
217.10146	3.5
217.15927	3.6
218.16643	3.4
219.11671	11.4
220.12439	7.1
221.13234	15.0
221.15402	19.6
222.13942	5.5
223.14838	16.4
225.12715	6.9
225.14848	17.8
225.16660	5.2
227.14337	6.3
229.10161	2.6
229.61070	2.8
231.11632	7.1
231.17274	3.9
232.12471	5.4
233.13231	6.9
233.15367	48.7
234.13966	4.4
235.14859	11.7
235.16931	3.5
236.15582	4.3
237.16415	9.8
239.14232	6.3
239.17969	4.5
241.15865	5.4
243.11449	3.3
245.13257	5.6
246.14003	3.8
246.16254	5.0
247.14784	7.1
247.17007	6.7
248.15555	5.1
249.16451	13.5
251.14203	3.0
251.17860	6.4
253.15852	4.6
253.19672	3.5
255.17447	35.3
257.19064	4.7
259.14737	5.8
260.15546	3.4
261.16391	11.1
263.17938	7.0
265.19458	7.6
267.17380	2.7
268.18115	5.1
269.19031	5.3
270.19791	9.0
271.20618	6.5
273.16083	3.6
273.18689	5.8
275.17926	6.7
277.19589	2.9
281.19058	6.3
282.19891	4.8
283.20456	4.5
285.18649	5.9
286.19388	4.8
289.19513	5.2
293.19073	3.1
294.19684	3.3
295.20718	4.5
299.20065	4.7
300.21036	3.4
311.20044	2.8
312.20816	3.2
331.24344	4.7
333.22000	2.7
337.25256	6.7
347.23721	4.4
349.25177	7.4
361.25607	3.2
365.24744	7.6
367.26260	8.0
383.25821	15.7
399.26855	5.7
417.27875	2.9
429.31332	3.3
457.30923	5.8
600.41937	3.3
618.43457	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.5
55.01862	4.8
55.05518	42.7
57.07067	7.6
59.04995	2.8
65.03932	3.8
67.05507	30.4
69.03425	10.2
69.07067	16.8
71.04974	7.2
71.50368	4.3
79.05492	44.5
80.06278	3.0
81.03417	3.4
81.07059	45.7
83.04989	19.8
83.08626	50.1
84.14795	2.6
85.06534	8.2
87.04462	6.3
91.05488	53.7
91.33733	2.7
93.06496	4.1
93.07050	61.0
95.04980	29.4
95.08617	38.5
97.06525	20.1
97.10151	2.9
99.04453	6.6
105.07035	100.0
107.04913	4.6
107.08604	64.8
109.06560	18.6
109.10163	23.8
111.08063	7.3
113.09658	7.4
115.05468	6.5
117.07023	27.7
119.04963	4.6
119.08584	81.4
121.06517	10.9
121.10155	50.7
123.08066	15.2
123.11740	6.7
125.05997	3.5
125.09631	21.1
128.06198	12.3
129.07040	21.4
130.07751	11.9
131.08597	39.1
132.09309	4.6
133.06532	4.9
133.07468	2.5
133.10146	52.5
135.08063	13.1
135.11673	15.1
137.09659	5.4
139.11176	14.8
141.06982	11.5
142.07803	22.6
143.08589	40.4
144.09407	12.0
145.06462	6.1
145.10133	77.2
145.11308	3.8
146.10802	4.3
147.04431	2.9
147.08102	14.9
147.11688	21.7
149.09627	15.1
149.13277	7.2
151.07590	4.2
153.07027	3.1
153.09116	2.7
153.12743	3.5
155.08618	19.6
155.10703	14.8
156.09358	17.6
157.10144	64.8
158.10915	8.9
159.08060	18.7
159.11708	37.0
160.08835	10.4
161.09604	14.5
161.13306	5.3
163.11198	10.6
165.07037	8.1
166.07846	3.4
167.08656	12.2
167.10701	17.3
168.09369	12.1
169.10133	31.3
170.10872	9.8
171.08018	5.4
171.10281	5.4
171.11681	35.1
172.12415	4.4
173.09625	11.7
173.13257	18.7
175.11224	12.1
175.14822	5.9
177.12689	2.9
179.08551	8.8
179.14294	5.0
180.09421	5.0
181.10133	21.5
181.12228	24.2
182.10866	15.1
183.11703	25.1
184.12471	6.2
185.09628	5.4
185.13268	23.2
186.14063	5.3
187.11131	7.2
187.14804	9.6
189.12761	7.9
191.14319	9.2
192.09392	5.1
193.10144	15.3
194.10922	12.8
195.11737	21.4
195.13361	4.0
196.12408	10.0
197.13310	30.2
199.11183	8.1
199.14798	13.8
201.12755	3.5
201.16353	4.1
203.14322	6.3
205.10172	4.9
206.10866	6.4
207.11703	15.3
207.13770	6.6
208.12352	7.3
208.14462	3.2
209.13326	20.6
209.15144	5.6
210.13928	5.8
211.14891	15.9
213.12685	5.9
213.16333	6.4
215.14372	15.3
217.15907	3.8
219.11780	6.3
221.13211	13.1
221.15387	22.2
222.13968	6.8
223.14748	15.2
225.12740	6.7
225.14815	9.6
225.16574	6.1
227.14302	7.4
231.11734	5.7
231.17363	3.8
233.13191	7.4
233.15366	31.1
234.15944	3.8
235.14862	12.4
236.15298	3.0
237.16591	14.1
239.17900	4.4
245.13251	7.2
246.14095	5.0
247.14813	7.9
247.17146	5.0
249.16408	9.1
251.18028	4.7
253.19565	4.0
255.17465	26.1
257.13306	3.7
257.19009	3.4
259.14749	5.6
261.16467	6.4
262.17181	2.9
265.19586	4.2
269.18921	6.8
270.19736	6.8
271.20474	3.9
273.18655	4.6
277.19565	5.0
281.18759	3.7
283.20551	6.1
285.18512	3.3
286.19284	4.3
287.20288	4.1
293.18765	2.9
295.20538	6.3
297.18362	2.9
297.21762	3.0
299.19916	3.7
313.21857	2.7
337.25253	7.0
347.23709	3.3
349.25375	6.3
360.24661	4.1
365.24686	5.5
375.26566	3.1
381.25659	3.8
383.25809	10.6
393.28009	4.2
414.29102	4.0
457.30994	4.1
570.82471	2.9
591.28815	2.8
618.41956	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.01862	2.8
55.05517	42.9
57.07075	6.5
67.05508	25.3
69.03424	11.1
69.07069	14.6
70.61865	9.2
70.62230	3.3
71.05000	7.9
79.05500	38.0
81.07058	57.0
83.05005	18.9
83.08628	59.9
85.02907	4.9
85.06547	8.0
87.04474	5.4
89.34740	3.3
91.05486	56.3
92.20668	2.8
93.07045	62.3
95.04978	30.0
95.08610	38.5
97.06527	19.9
97.10163	3.5
99.04467	4.7
105.04546	3.9
105.07041	100.0
107.04956	6.8
107.08609	65.6
108.09434	3.3
109.06519	16.0
109.10174	23.0
111.08087	9.2
113.09637	8.3
115.05452	7.7
117.07003	24.3
119.08595	87.1
121.06523	12.5
121.10155	51.8
123.08083	22.4
123.11739	6.7
125.05997	4.3
125.09629	15.9
128.06227	10.8
129.06985	23.0
130.07771	8.5
131.08575	51.4
132.09351	6.3
133.10135	43.5
135.08086	14.9
135.11687	9.9
137.09631	10.0
139.11121	14.8
141.06972	11.7
142.07800	30.0
143.08591	48.5
144.09315	12.0
145.06499	6.5
145.10143	75.0
146.10919	3.7
147.08035	14.4
147.11702	22.3
149.09657	16.2
151.07509	5.7
153.06970	3.7
153.09100	4.2
155.08578	18.5
155.10666	11.3
156.09325	17.0
157.10144	66.2
158.10942	8.8
159.08134	15.2
159.11684	36.3
160.06961	3.0
160.08826	11.3
161.09628	17.0
161.13301	5.7
163.11183	11.5
165.06985	4.0
165.09117	7.8
167.08588	12.4
167.10640	16.7
168.09340	11.9
169.10153	27.8
170.10944	7.5
171.11691	33.0
172.12488	4.1
173.09628	13.6
173.13271	13.7
175.11153	14.8
175.14851	5.1
179.08594	14.7
179.10648	3.0
179.14276	5.8
180.09363	3.6
181.10135	18.0
181.12262	22.7
182.10905	10.2
183.11667	24.6
183.13181	3.7
184.12503	4.9
185.09547	3.8
185.13231	17.6
186.14030	3.6
187.11189	8.1
187.14861	10.2
189.12793	4.4
190.13496	5.0
191.14342	8.4
192.09235	3.3
193.10126	12.2
194.10869	9.6
195.11693	29.3
196.12444	6.9
197.09654	4.2
197.13271	29.4
198.13959	6.4
199.11221	8.8
199.14757	8.6
203.14378	10.4
205.10159	3.7
206.10907	4.2
207.11765	14.8
207.13707	6.7
208.12558	5.1
208.14595	6.5
209.09776	3.4
209.13290	25.7
209.15018	4.8
210.14075	4.5
211.11266	4.1
211.14796	13.5
213.12654	7.2
213.16374	3.3
215.14348	19.7
219.11789	6.5
220.12518	5.8
221.13266	14.9
221.15378	32.8
222.14009	6.2
223.14801	15.9
225.12894	5.6
225.14825	10.3
225.16589	7.3
227.14351	8.9
231.11668	4.6
231.13779	5.5
231.17442	3.5
233.13306	7.0
233.15385	36.3
234.13898	5.9
234.16087	4.9
234.78427	3.3
235.14810	11.7
237.12718	4.3
237.16403	10.5
239.14398	4.7
245.13248	5.2
245.15500	3.8
246.13951	4.3
246.16220	4.7
247.14758	6.5
247.17053	7.0
249.16393	6.8
251.18088	5.0
255.17403	26.1
257.19177	4.1
261.16425	6.6
263.18018	6.3
265.19308	4.4
267.17520	4.5
269.18994	4.5
270.19873	8.7
275.17801	3.6
279.17691	3.5
281.18958	5.6
283.06348	4.6
285.18665	4.3
286.19223	3.6
287.20123	17.2
293.18967	3.9
295.20258	6.2
297.18549	4.0
299.20148	8.5
303.20880	3.4
307.20605	3.6
311.20078	3.8
312.20615	4.0
315.20996	3.6
337.21628	4.7
337.25259	6.4
352.24060	14.1
365.24820	9.3
383.25742	13.1
538.36621	27.4
618.42700	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	618.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.71634	0.2
55.01854	0.3
66.09570	0.3
71.01840	0.6
76.85216	0.2
78.04701	0.9
79.05476	1.2
81.03420	0.4
81.07027	0.3
85.02907	0.3
89.29667	0.2
91.05493	1.3
93.07049	0.8
95.04959	0.3
99.76941	0.3
100.05869	0.3
103.05455	0.4
105.07011	0.7
106.04192	1.0
107.04975	2.0
115.05457	0.3
121.06519	1.1
123.04422	4.1
124.05263	1.3
131.08551	0.4
133.06471	0.6
134.03622	0.4
135.08073	0.3
137.05986	0.7
149.05948	0.9
151.03938	1.0
151.07539	0.6
152.04681	1.1
153.01837	0.4
157.06551	0.5
161.06007	2.0
163.07552	0.8
166.06235	0.3
167.07040	100.0
168.07358	0.5
175.07512	0.3
179.07080	0.6
181.08585	4.2
189.09120	1.1
191.06938	0.3
193.08598	4.4
207.06213	0.3
207.08163	0.3
207.10046	0.5
211.09656	8.5
257.11697	0.5
353.26028	0.3
361.16440	4.6
373.16199	0.3
409.01221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.5
53.03952	5.8
55.01873	5.4
55.05276	3.8
55.05519	50.8
57.07081	6.2
65.03932	3.7
65.86343	2.9
66.37320	2.9
67.05502	26.7
69.03433	12.4
69.07076	20.1
69.29989	26.0
71.05011	3.2
75.88853	3.1
79.05499	32.8
80.06285	5.5
81.07059	51.2
83.04995	21.6
83.08630	67.4
85.06541	8.9
85.10073	2.9
87.04491	3.1
91.05490	62.6
93.07053	73.5
95.04984	30.8
95.08607	34.9
97.06551	24.9
98.20796	7.0
99.04448	4.7
105.04575	3.5
105.07040	100.0
107.04992	6.3
107.08604	70.6
109.06529	19.4
109.10168	34.2
111.08107	7.7
113.09664	11.1
115.05500	7.4
117.07037	25.5
119.04926	4.8
119.08591	86.3
121.06519	10.3
121.10152	61.8
121.10943	5.4
123.08064	25.7
123.11741	8.2
125.06135	3.1
125.09655	18.5
128.06229	18.5
129.07022	28.7
130.07799	10.3
131.08572	49.1
132.09399	6.2
133.10149	55.4
134.07191	2.9
135.08069	11.1
135.11699	9.7
137.09706	7.2
139.11208	14.7
141.07013	13.3
142.07784	27.9
143.08585	52.8
144.09404	15.4
145.06531	8.8
145.10139	79.0
147.08090	17.1
147.11679	22.0
148.15454	3.0
149.09644	18.8
151.11154	4.1
153.01846	3.7
153.07039	6.4
154.07866	4.2
155.08607	24.7
155.10661	14.0
156.09354	27.8
157.10150	67.0
158.10910	10.9
159.08084	19.2
159.11726	36.1
160.08835	12.1
161.09651	18.9
161.13261	5.8
163.11148	8.2
165.07025	8.1
165.12723	4.7
166.07826	5.9
167.08557	13.6
167.10681	20.8
168.09319	6.7
169.10126	34.7
170.10918	10.0
171.10281	6.8
171.11685	42.2
172.12454	6.8
173.09682	10.9
173.13303	17.9
175.11232	13.5
175.14836	6.3
179.08586	13.0
179.14349	9.0
180.09450	6.4
181.10165	22.1
181.12238	32.9
182.10930	12.9
183.11731	24.6
184.12474	7.0
185.09663	5.2
185.13234	24.2
187.11218	8.5
187.14815	13.0
189.12726	7.1
191.14319	8.9
192.09338	4.3
193.10208	14.1
193.11874	2.8
194.10970	13.3
195.11734	30.0
196.12514	12.6
197.13263	36.2
198.14148	4.7
199.11163	6.4
199.14857	12.4
201.16525	4.1
203.14388	6.0
205.10103	5.1
207.11700	21.7
207.13632	6.4
208.12448	9.3
209.13321	25.2
209.15266	6.4
210.13965	3.9
211.11290	4.0
211.14873	18.7
213.12787	10.2
213.16380	5.8
215.14302	18.3
217.15749	4.8
218.10994	5.3
218.16589	5.3
219.11803	6.9
219.13850	3.7
220.12492	8.3
221.13261	19.2
221.15405	18.1
222.13881	4.0
223.14871	19.0
225.12793	5.7
225.14861	14.2
225.16742	4.8
227.14310	7.4
229.15836	4.6
231.11758	7.4
232.12437	4.8
233.13190	6.8
233.15311	39.4
235.14822	16.3
237.16473	13.6
239.14400	5.6
239.17917	4.3
241.16013	4.5
245.13203	5.6
246.16113	4.2
247.14780	6.5
247.17026	9.6
249.16386	12.8
251.18089	6.5
253.15897	6.1
255.17479	32.5
257.18918	3.8
259.14749	5.9
261.16394	7.3
263.17944	8.4
265.19550	6.9
267.17612	6.3
268.18243	6.3
269.19083	6.6
270.19843	7.5
273.16135	4.0
273.18747	5.4
275.17755	4.2
277.19553	5.2
281.19034	5.5
282.19678	5.7
283.20599	5.7
285.18683	4.5
286.19385	3.5
287.20206	8.6
289.19534	4.0
291.17563	3.5
295.20633	7.4
297.18866	3.2
299.20056	7.4
301.19598	4.3
302.80038	3.1
309.18509	3.5
335.23734	3.1
337.25244	4.0
345.22208	3.9
347.23584	4.4
349.25272	7.1
359.17133	3.3
360.24261	4.5
365.24673	9.9
367.26273	8.7
375.26840	4.2
383.25848	10.9
399.26575	6.1
402.37329	3.2
415.29660	3.6
457.31238	3.4
600.41052	7.0
618.42743	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	617.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.6
55.05499	26.4
57.07058	32.3
62.47558	10.4
67.05503	84.9
69.07051	32.9
71.04999	10.2
71.08621	17.8
71.50882	13.0
79.05486	33.8
81.03409	27.7
81.07051	100.0
83.04990	23.7
83.08601	29.0
87.04434	11.8
91.05488	20.2
93.07033	36.2
95.01864	11.9
95.04980	22.3
95.08595	51.4
97.10139	13.9
98.98417	9.1
105.06994	26.8
107.08596	27.6
109.06544	8.7
109.10144	43.3
114.49042	10.2
117.07027	12.4
119.08546	23.7
121.10137	19.3
122.46424	8.7
123.11739	13.2
125.09667	15.1
125.76955	7.5
131.08604	8.5
145.10109	13.3
147.11656	13.6
153.09053	10.8
193.12245	22.2
242.26474	10.0
246.67252	9.6
316.05585	11.1
332.75995	9.0
402.42047	12.2
491.37085	41.5
505.38940	98.6
617.43390	19.9
647.16473	11.0
648.77338	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	617.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05502	1.4
57.07067	0.6
65.03938	2.4
67.05507	1.8
69.07063	1.0
69.26357	3.1
76.61571	0.3
79.05486	1.4
81.07062	3.0
83.08607	1.2
91.05484	16.7
93.07052	3.5
95.08607	6.3
97.06564	0.3
99.08073	0.4
105.07026	4.5
107.08607	5.1
109.06569	0.5
109.10154	5.4
117.07003	0.9
119.04947	28.5
119.08582	6.9
121.10148	5.2
123.11723	1.0
128.06197	0.3
131.08582	2.3
133.10136	8.3
135.11716	2.2
137.13271	0.5
141.11430	0.3
142.07770	0.5
143.08589	1.3
145.10132	3.8
147.04413	100.0
147.11671	3.2
148.04750	1.1
149.13287	1.4
153.01831	1.3
155.08542	0.4
156.09279	0.5
157.10187	1.9
158.10861	0.4
159.11716	3.4
161.13249	1.5
163.07596	0.4
163.11217	0.5
163.14862	0.8
165.05553	0.7
169.10104	0.8
170.10840	0.4
171.11696	1.1
173.13260	2.2
175.14769	2.6
177.16399	1.1
181.84543	0.4
183.11711	0.8
185.13237	2.3
187.14827	2.9
189.16377	2.3
191.17961	0.6
197.13374	0.4
199.14816	2.4
201.16408	4.7
203.14366	2.3
203.17949	2.0
205.15898	1.0
207.13889	0.3
211.14590	0.3
213.16408	1.1
215.14279	0.6
215.17955	1.3
219.13721	0.5
219.17461	0.5
221.15425	0.5
225.16345	0.5
227.17883	0.7
231.17499	0.5
233.15393	0.8
239.17941	0.4
241.19391	0.4
245.15402	0.7
247.17033	0.6
249.14900	1.4
259.16870	0.7
273.18481	0.5
279.03906	0.3
281.22583	0.8
303.04904	0.5
325.21652	0.5
327.23154	0.5
341.24689	0.3
381.31491	0.4
389.31979	1.4
407.32919	1.8
425.34091	0.5
435.32504	4.2
453.33865	1.5
475.29105	0.4
599.40186	0.3
617.38110	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	617.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03950	0.8
53.74780	0.4
55.01872	0.8
57.03425	0.4
65.68807	0.4
69.03435	2.2
69.36303	3.6
77.60929	0.5
79.01858	4.1
81.03419	6.4
85.02925	2.6
97.02900	4.7
98.20788	0.7
99.04451	0.6
107.01326	2.2
109.02879	4.2
111.00784	0.5
115.37682	0.5
120.04777	0.5
121.02840	0.6
125.02364	3.2
127.03933	5.8
137.02365	2.2
143.03409	5.3
145.04988	1.2
153.01840	100.0
153.02904	5.6
154.02135	0.6
163.03871	0.9
165.01888	0.7
171.02898	8.6
183.02980	0.5
201.05556	1.0
215.61086	0.4
229.05009	2.8
257.04504	1.8
272.23041	0.4
274.04639	0.8
280.59427	0.4
285.03897	1.0
297.06067	8.0
303.05014	57.0
304.05261	0.7
310.85123	0.4
315.07159	3.2
342.32251	0.4
345.05991	0.5
463.22723	0.4
538.72205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1137
Annotation	Quercetin 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
50.85219	0.3
53.97198	0.4
54.11131	0.3
68.99799	0.4
69.03091	0.6
69.03432	8.1
72.37244	0.4
79.01851	3.4
81.03420	0.5
85.02893	0.7
90.90976	0.4
91.05463	0.4
97.02901	2.0
99.04452	0.6
107.01308	0.7
109.02888	1.3
118.88460	0.5
123.04485	0.4
125.02352	2.3
127.03940	6.0
137.02344	1.3
137.05876	0.4
137.91183	0.4
139.03877	0.4
142.62289	0.4
143.03403	3.3
147.04448	0.5
153.01837	100.0
153.02869	4.6
154.02164	0.6
159.04384	0.4
163.03973	0.9
165.01883	0.8
171.02898	0.9
177.05539	0.6
179.03419	1.4
180.97360	0.4
181.01245	0.6
191.03436	1.8
195.02858	0.5
201.05396	0.6
205.04991	1.2
207.02846	1.4
209.04483	0.9
219.02969	0.6
221.04335	0.4
229.05022	1.0
233.04507	1.7
237.03920	3.3
249.03708	0.4
257.04562	0.6
267.56894	0.4
279.04974	0.8
297.06064	3.3
303.04999	25.3
315.07275	5.3
317.70773	0.4
327.05054	0.4
345.05801	0.6
369.06009	0.5
404.72604	0.5
627.90094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1137
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01598	0.4
51.02386	1.2
52.29364	0.4
67.19947	0.5
68.99798	0.7
69.03432	0.7
69.22032	0.5
69.22694	3.2
72.51654	0.4
73.79023	0.4
77.47958	0.4
78.61185	0.4
79.01865	3.9
81.03418	1.9
85.02917	1.4
93.51761	0.4
97.02898	2.0
98.21553	1.0
101.15401	0.5
107.01335	1.0
109.02873	1.2
111.00813	1.1
124.99731	0.4
125.02362	2.2
127.03912	1.9
137.02344	2.2
143.03401	5.1
145.04944	0.7
149.02342	0.8
153.01842	100.0
153.02908	6.0
154.02197	0.7
165.01833	1.6
171.02881	1.3
201.05437	1.5
211.03966	0.4
216.67743	0.4
229.04959	2.6
239.03336	0.6
248.35291	0.5
257.04462	1.8
274.04852	0.5
285.04025	0.7
297.06113	1.5
303.05008	69.2
304.05377	1.4
315.07101	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	617.0777
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
50.01599	0.4
51.02368	0.8
55.01864	0.3
67.57455	0.2
69.03420	0.5
70.60105	0.5
79.01417	0.4
79.01855	6.2
81.03416	0.8
83.01353	0.2
83.04911	0.2
91.05459	0.3
97.02905	1.5
107.01302	1.1
109.02873	1.3
119.04947	0.2
123.00800	0.3
125.02351	3.0
127.03922	3.9
131.04939	0.2
131.51915	0.2
133.02885	0.2
143.03404	5.7
145.04958	0.8
147.04430	0.4
153.01836	100.0
153.02895	6.0
154.02187	0.5
157.02890	0.3
159.04474	0.2
163.03976	0.4
172.70737	0.2
173.02402	0.4
175.03929	0.5
179.03412	0.4
185.02322	0.2
187.03862	1.1
191.03453	0.4
195.02859	0.4
201.01875	0.6
203.03485	0.6
205.04961	0.8
207.02884	0.5
213.01852	1.0
215.03403	0.7
219.02914	0.3
229.01360	0.6
230.02040	0.2
231.02881	4.2
233.04483	0.8
241.01311	0.7
247.02403	0.9
257.00809	0.8
259.02377	5.9
261.03940	0.9
275.01837	2.3
276.02637	0.5
277.03442	18.5
279.05075	0.5
285.00446	0.6
295.04419	0.2
297.06027	0.4
303.01352	12.0
321.02603	0.2
363.03259	0.4
447.05325	0.3
602.96033	0.2
617.07440	0.7
633.32660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01889	1.5
57.03445	1.3
58.64817	1.3
58.90674	1.3
65.03947	1.8
69.03458	2.0
69.52739	6.6
69.53159	3.4
71.05009	1.9
74.99246	1.5
75.04482	1.6
78.04710	1.8
79.01898	2.0
79.05502	2.0
81.03426	3.2
84.00007	1.6
85.02924	10.8
89.03976	1.9
91.05487	12.8
93.03422	10.0
93.07056	4.6
95.04978	4.5
97.02897	2.6
97.06544	2.7
100.07621	2.2
101.48586	1.4
103.05478	6.7
105.07049	4.1
106.04185	24.3
107.04985	2.2
109.02906	2.8
111.04469	1.3
112.05105	3.4
119.04972	2.7
121.02900	1.4
121.06514	22.7
123.04486	2.0
125.06011	6.2
127.03920	3.2
131.04941	2.7
133.06534	4.1
134.03667	3.5
135.04390	2.0
137.02390	2.2
137.06029	4.2
139.07549	3.1
143.03453	2.2
143.91797	1.6
145.02902	2.3
147.04440	2.0
149.05997	39.4
151.03938	1.6
153.01852	42.4
153.02939	2.9
153.09117	8.0
154.02290	1.9
159.60095	1.7
161.06035	5.3
163.03926	4.9
166.06229	2.0
167.07100	7.2
168.10139	2.3
171.02913	2.5
177.05490	21.1
181.08611	19.7
191.07043	3.3
193.08632	10.8
209.08116	100.0
287.05664	1.8
297.06122	1.9
303.05048	23.0
303.08417	2.7
389.42136	1.5
616.20081	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01867	1.8
55.05512	20.1
57.03440	5.9
57.07071	6.2
65.03936	2.3
67.05504	50.3
69.07069	28.0
69.18672	2.4
69.19072	7.0
71.05003	1.6
71.08636	2.9
73.06576	0.9
75.04482	1.0
79.05494	29.5
81.07058	57.0
82.04704	0.9
83.04966	1.1
83.08620	15.3
85.06552	1.7
85.10179	1.5
91.05482	18.7
92.29174	0.8
92.48833	0.9
93.07044	37.7
95.04970	1.8
95.08607	45.6
97.06546	3.3
97.10165	8.4
98.21596	1.5
99.08119	1.8
105.04504	1.3
105.07031	22.6
105.07703	1.8
107.08595	23.1
109.06555	2.1
109.10152	21.7
111.08096	2.3
111.11742	2.7
113.09601	1.3
116.06241	1.1
117.07027	7.6
119.08580	20.7
119.09373	1.3
121.10140	18.9
121.10949	1.6
123.08071	1.3
123.11724	9.0
125.09686	2.0
125.13194	0.9
126.80469	0.8
129.07013	3.7
131.08565	11.8
133.10135	14.7
135.11716	11.6
137.09679	1.2
137.13271	3.5
143.08572	3.4
145.10100	10.1
147.11697	10.8
149.09596	1.0
149.13246	8.4
151.14786	1.2
157.10161	2.7
159.11705	8.3
161.13278	7.6
163.14772	4.6
164.93770	0.9
165.16432	1.0
167.14363	1.1
171.11731	3.8
173.13261	7.2
175.14844	4.7
177.16451	2.8
179.14305	1.0
183.11655	0.9
185.13289	3.7
187.14867	2.5
189.16411	2.0
197.13235	1.4
199.14868	1.9
201.16425	1.3
203.18001	2.0
205.19566	1.5
213.16553	1.4
215.17979	1.9
217.19492	0.9
219.21140	1.6
231.21062	0.9
233.22719	1.7
241.19656	1.8
243.21138	2.4
245.22707	1.3
247.20633	1.1
259.20627	3.7
261.22156	9.1
263.23691	2.1
265.25345	1.1
273.22330	1.7
275.23953	1.0
287.23685	1.1
301.25241	1.5
303.26721	1.1
315.26993	0.9
317.24716	1.3
317.28403	1.0
321.24295	1.1
333.24353	1.9
335.25769	8.6
337.27402	11.5
339.29047	4.0
351.25415	1.0
361.27356	1.2
375.29074	1.1
485.75681	0.9
491.37057	1.0
505.38971	1.0
517.38501	1.0
523.45062	3.8
531.39819	1.5
541.46124	3.3
545.41980	2.0
597.48651	10.4
615.49847	100.0
616.50140	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
53.03941	4.6
55.01873	1.5
55.05516	23.1
57.03442	6.9
57.07078	6.9
62.99684	1.1
65.03938	2.7
67.05512	48.9
69.07076	26.5
69.20782	2.3
69.21188	8.4
71.05004	2.0
71.08638	3.5
79.05505	32.6
81.07065	63.8
83.04991	2.0
83.08632	15.4
85.06563	2.5
91.05490	25.0
91.06026	1.7
92.92700	1.1
93.07054	35.6
95.05000	2.9
95.08616	47.4
97.06535	4.1
97.10172	7.5
98.20730	2.0
99.08108	1.8
105.07040	25.1
107.08603	23.5
109.10169	21.0
109.10845	1.8
111.08121	2.4
111.11732	2.0
117.07023	7.0
119.08598	21.7
120.74516	1.0
121.10150	19.4
123.11711	8.9
125.09650	1.8
129.07037	3.1
131.08562	15.2
131.09412	1.4
133.10156	17.1
135.11697	13.2
137.13280	4.1
139.11171	1.1
143.08562	5.0
145.10136	12.7
147.11716	13.4
149.09636	1.1
149.13260	8.0
151.14862	1.0
157.10173	3.4
159.11729	9.8
161.13274	9.1
163.14861	5.9
169.10152	1.5
171.11760	4.1
173.13312	6.8
175.14789	5.1
177.16440	2.0
179.18065	1.7
185.13329	3.0
187.14874	4.5
189.16470	3.1
199.14868	2.6
201.16531	2.2
203.17995	1.6
205.19614	1.4
213.16559	1.2
215.18066	1.9
219.21144	1.3
229.19572	1.4
231.21257	1.4
233.22754	1.3
239.18192	1.3
241.19672	2.2
243.21153	2.3
245.22757	2.0
247.20601	1.7
247.24391	1.5
259.20596	5.4
261.22198	12.5
263.23792	2.0
271.20654	1.3
275.23834	1.5
277.21716	1.8
287.23758	1.7
289.25381	1.8
297.24554	1.3
315.26849	1.1
317.25031	1.9
333.24377	2.8
335.25906	9.8
337.27463	11.9
339.29034	6.0
505.44357	1.3
505.73904	1.3
523.44983	6.5
531.40509	1.4
541.46124	2.3
597.48914	12.4
615.49908	100.0
616.50262	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	615.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34416	0.9
55.05494	3.6
57.07066	1.2
60.87626	1.1
65.03928	2.5
67.05515	5.8
67.06908	1.1
69.07075	3.6
69.93399	1.1
71.04977	1.1
79.05489	4.5
81.07053	9.2
83.04990	1.9
83.08622	2.6
87.15953	1.0
88.07561	1.0
91.05492	19.0
93.07063	8.9
95.04963	1.5
95.08614	9.0
97.06532	1.8
105.07037	12.0
107.08598	12.0
108.08897	1.1
109.10167	8.4
113.53395	1.1
115.05415	1.5
117.06986	2.0
119.04946	30.6
119.07816	1.5
119.08587	16.5
121.10139	11.8
123.08079	2.8
123.11713	2.8
129.06955	1.9
130.07735	1.3
131.08571	8.0
133.10130	10.2
135.08023	1.9
135.11705	6.6
137.09560	1.3
142.07709	1.6
143.08516	4.5
144.09341	1.4
145.10133	15.8
147.04420	100.0
147.08070	2.0
147.11678	5.1
149.02286	1.6
149.09586	1.7
149.13283	4.8
151.07562	1.5
155.08533	2.7
156.09322	1.1
157.10081	6.3
159.08041	1.8
159.11691	10.8
161.13263	4.4
163.11180	3.0
165.05450	1.9
167.10637	3.9
169.10149	3.1
171.11665	4.1
173.09610	1.3
173.13283	7.0
175.14827	4.8
177.12805	1.4
177.16383	3.6
181.10178	1.8
183.11748	3.8
185.13245	3.4
187.14807	14.5
189.16360	5.7
193.04968	1.5
195.11635	1.5
197.13266	2.4
199.14835	8.0
201.12744	3.9
201.16368	11.2
203.17957	1.1
205.15903	7.2
207.13815	1.1
209.13310	1.7
211.14803	1.8
213.16292	1.7
215.18045	1.4
221.13388	1.6
221.15395	2.5
227.18015	1.3
233.15269	1.7
233.19014	1.5
235.14859	1.4
245.15395	1.3
257.15509	1.2
285.57333	1.1
325.21976	1.1
405.31412	3.7
407.32874	1.6
423.32489	1.5
433.31152	2.1
451.31888	3.0
523.33868	1.4
597.38690	1.8
615.35669	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	615.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01873	0.4
55.05512	0.7
65.03929	0.8
66.06766	0.4
67.05503	0.6
69.03423	0.7
69.07060	0.4
70.67889	1.2
71.09489	0.4
78.04704	1.7
79.05486	2.7
81.03415	0.4
81.07053	1.3
85.02875	0.7
91.05479	1.2
92.85577	0.4
93.03424	0.5
93.07018	1.0
95.04958	0.7
95.08579	0.5
97.06519	0.7
97.16132	0.5
103.05452	0.7
105.07020	1.7
106.04162	1.4
107.04978	2.7
107.08632	0.7
109.02888	0.5
109.06516	0.7
115.05474	0.5
117.06963	0.7
119.08595	0.9
121.06533	1.0
122.03633	0.4
123.04439	5.0
124.05228	1.9
127.03881	0.4
128.06204	0.6
129.07007	1.1
131.04860	0.6
131.08559	0.7
133.06447	0.8
135.04436	0.5
137.05974	6.2
143.04948	0.6
145.06519	0.9
147.11679	0.4
149.05946	1.1
151.03896	3.3
151.05002	0.6
151.07562	0.4
152.04674	1.4
153.01878	0.6
155.07030	0.4
157.06409	0.8
159.11714	0.4
161.05991	1.0
167.07042	100.0
168.07401	0.9
171.11714	0.4
172.05202	1.3
173.05951	0.6
173.13240	0.4
175.07497	0.6
179.06992	0.7
181.04958	8.1
181.08595	1.2
187.07495	0.8
191.07066	0.5
193.08583	3.9
200.04759	0.5
203.07040	1.3
211.09674	3.1
218.05756	1.4
221.07990	0.5
233.08081	6.8
235.09595	0.5
241.18359	0.4
249.09200	0.6
251.09233	0.4
263.09283	1.9
263.11795	0.4
265.08514	0.7
293.08112	0.7
337.10590	0.8
357.13361	1.0
369.13531	1.1
379.09906	0.6
387.14377	16.8
396.58011	0.4
405.15414	0.9
459.83353	0.5
478.09912	0.4
597.23053	1.2
615.27521	7.2
615.36194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01867	1.9
65.03949	8.9
65.10549	0.8
67.05502	1.3
67.28081	0.9
70.34605	1.3
70.34933	2.1
74.35564	0.8
79.05467	2.3
81.03401	1.0
81.07041	1.1
82.04199	1.4
85.02900	2.1
91.05499	4.7
93.03397	6.9
93.07031	1.5
93.17325	0.9
95.04980	2.2
97.06489	1.1
103.05474	3.0
105.03400	1.9
105.07055	1.8
107.04949	3.3
107.08596	0.8
109.06507	1.3
110.03694	8.3
111.04431	5.9
115.05478	0.9
119.04971	2.1
120.05270	0.8
121.02851	5.4
121.06458	1.5
123.00776	1.0
123.04461	1.9
125.06013	10.6
129.06969	1.2
131.04915	3.0
133.02800	2.6
133.06444	1.1
135.04378	1.2
137.05991	7.3
138.03120	1.0
145.06465	2.3
147.04413	2.3
147.07985	1.0
148.05148	1.1
149.02351	2.1
149.05971	2.1
151.03935	1.9
151.07518	3.3
153.05475	19.7
155.06998	1.0
157.06523	1.4
157.10123	0.9
159.08051	1.0
161.05972	3.1
161.09586	1.4
162.06761	1.1
163.03920	2.1
163.07516	2.3
165.05501	3.0
165.06833	1.5
166.45267	1.0
167.07086	7.1
168.07329	1.6
173.06023	1.1
175.07576	2.0
177.05438	2.0
181.04979	19.5
181.06506	2.1
187.07564	0.9
189.09149	1.5
191.07043	8.9
193.04997	1.6
193.08507	1.2
195.08054	2.2
196.05258	1.0
205.06546	1.0
207.06461	1.4
207.08177	1.4
207.10023	1.4
208.07256	2.3
209.06084	1.0
209.08020	2.1
210.06764	2.5
211.07584	2.0
212.08354	1.6
221.06033	1.3
221.09729	1.9
222.06757	1.6
223.07463	3.5
223.11163	1.0
224.08304	1.6
225.07489	3.8
225.09218	3.2
226.08298	1.2
227.07013	2.5
227.10683	1.9
235.07602	1.5
237.09120	2.4
238.06236	3.2
238.09854	2.3
239.07057	1.8
239.10698	1.5
240.07896	7.3
249.09071	2.2
249.11284	0.9
251.07120	2.0
251.10699	1.0
252.07886	1.9
253.08609	15.5
253.12279	6.0
254.09352	2.8
255.06583	1.8
255.10188	3.7
257.08051	2.1
265.08664	2.0
266.05698	1.4
266.09390	3.8
267.06726	2.1
267.10168	2.6
268.07272	3.0
269.08090	3.8
270.08905	2.3
271.13583	1.4
277.08694	1.2
279.10242	1.0
281.08035	4.4
281.11218	4.6
282.08728	1.1
283.09686	6.9
284.10522	2.5
285.11176	3.1
285.14548	1.5
294.09012	1.2
295.09689	3.7
298.11880	2.0
299.12781	6.5
309.11246	5.4
310.12146	2.0
311.09183	1.0
311.12473	1.4
313.10645	7.6
313.14252	3.2
327.12286	24.0
331.15475	2.4
339.12335	2.3
341.13959	4.8
359.14908	100.0
360.15518	1.7
361.16833	1.0
371.14871	3.7
372.15845	1.4
389.15781	2.3
503.17062	1.3
615.23749	1.5
615.33258	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	615.2075
Annotation	Resinoside A
Peak:m/z	Relative Intensity
51.02394	0.8
53.03954	3.6
55.01856	1.3
55.05500	2.6
57.03442	3.9
59.69657	0.6
63.29461	0.7
64.80591	0.5
65.03918	1.2
67.05496	1.4
69.03131	0.5
69.03436	5.1
69.92525	2.8
69.92810	0.5
71.78476	0.5
73.02908	0.6
75.04484	6.7
77.44994	0.6
79.05070	1.0
79.05495	12.6
81.03419	4.9
81.07055	4.6
85.02913	3.8
91.05486	11.7
93.07050	59.8
94.07336	0.6
95.04959	2.5
95.08590	2.8
97.02885	2.7
98.86043	0.6
101.36970	0.8
103.05455	1.2
105.04527	1.1
105.07028	7.2
107.04940	0.8
107.08607	10.6
109.02884	2.6
111.00839	0.6
111.04460	1.4
111.08084	4.0
115.05437	0.7
117.07005	0.8
119.08578	5.6
121.02872	2.7
121.06491	1.3
121.10153	61.5
123.08105	1.1
123.11642	1.0
125.06041	0.8
127.03922	2.3
131.08551	3.6
133.10130	1.2
137.02330	1.2
139.11189	2.7
144.08998	0.6
145.04895	0.6
145.10092	0.9
147.04417	1.1
147.08086	0.7
149.09637	8.1
153.01845	4.8
163.07570	0.9
165.01820	2.2
167.07005	1.7
167.10672	8.0
181.05028	0.7
183.02827	1.2
213.05423	1.7
231.06497	1.4
258.05225	1.1
259.05923	0.8
287.05518	100.0
288.05972	1.7
293.13806	2.4
299.05548	2.3
311.15009	4.7
329.06656	1.1
329.15906	2.2
359.14920	1.2
615.24048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	24.1
57.03423	21.5
57.07068	9.8
60.05191	4.0
66.97637	4.3
67.05510	68.0
69.07075	33.8
69.26257	42.1
71.04962	6.4
71.08635	5.3
79.05506	31.6
81.03425	74.9
81.07056	73.5
83.04967	7.3
83.08617	30.6
89.06027	14.8
91.05477	39.4
93.07062	30.4
95.04980	35.7
95.08598	42.8
97.06516	10.9
97.10181	7.8
98.21593	9.1
105.07046	32.1
107.04938	6.5
107.08623	23.5
109.06551	4.9
109.10142	24.6
111.08086	13.9
117.06992	13.4
119.08565	26.9
121.06468	6.7
121.10123	21.6
123.11706	10.3
129.06956	14.0
131.08556	18.7
133.08572	13.3
133.10117	21.0
135.11682	8.8
143.08545	12.7
145.10129	11.5
147.08069	11.6
147.11673	9.6
157.10124	20.1
161.61374	4.5
166.11201	4.6
193.12230	19.5
247.14853	4.9
249.14992	6.8
263.23700	6.3
267.15930	100.0
273.18295	5.2
337.27399	80.5
352.24020	13.5
358.31149	5.3
377.31631	4.7
384.22876	9.1
455.35226	7.6
529.38947	62.5
547.39758	18.6
614.39252	17.9
614.48248	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	615.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01863	0.9
58.19173	0.3
65.03942	2.1
67.05497	1.6
68.99786	0.4
69.03442	0.7
71.49387	0.5
79.05467	0.4
81.03421	1.0
81.07102	0.5
85.02914	0.8
91.05475	0.8
93.03416	1.0
95.04977	1.0
97.02897	1.1
105.07008	0.4
108.02100	2.4
109.02880	0.8
111.00835	0.5
111.04474	1.0
117.03329	0.3
119.04956	1.2
121.02911	0.9
123.04440	0.9
127.03938	0.6
131.04912	0.4
135.04416	0.9
137.02321	2.2
137.05971	0.6
139.03897	1.0
141.05490	1.5
145.06369	0.3
147.04388	2.0
149.63579	0.3
151.03917	100.0
151.05008	7.8
152.04303	0.5
153.01826	2.9
153.63625	0.4
163.03920	2.0
165.01866	1.2
167.03432	1.8
167.07043	0.8
169.05022	0.6
173.06013	0.4
175.17010	0.3
176.85490	0.3
181.05005	0.4
183.02921	0.5
191.03314	0.7
201.05490	1.2
229.05000	2.1
247.06111	0.5
257.04391	1.9
258.84872	0.3
274.04657	0.7
285.04074	0.5
287.05530	2.3
295.08115	0.5
301.07138	0.4
301.14386	0.6
303.05002	51.4
304.05402	0.5
313.09192	5.5
453.18945	0.9
554.47205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03938	3.0
55.05515	14.2
56.17697	1.7
57.03439	3.8
57.07070	4.3
65.03939	2.0
67.05507	41.8
69.03455	1.4
69.07073	18.3
70.73195	1.7
71.00546	3.7
71.08627	1.7
71.28886	1.6
73.04752	3.5
74.09734	9.5
74.54047	1.5
74.94204	1.5
79.05494	24.5
81.07061	43.7
83.08633	11.5
89.06049	2.5
91.05445	16.2
93.07044	29.0
95.08609	29.7
95.09176	2.2
97.06573	2.0
97.10174	4.9
100.22456	1.8
105.04524	1.8
105.07032	24.8
105.07672	1.3
107.08604	20.3
109.06541	2.1
109.10172	15.8
111.95465	1.4
112.60300	1.8
117.07037	9.3
119.08584	24.0
119.09355	1.6
121.10143	14.1
123.11760	5.0
125.09565	1.9
129.07060	5.6
131.08571	18.6
133.10139	17.0
135.11699	10.0
137.05983	15.0
139.11150	2.5
141.07039	1.9
143.08595	5.9
145.10143	17.7
146.29945	1.4
147.11674	10.9
149.13272	3.9
155.08572	3.2
157.10184	6.6
159.11705	13.1
161.09531	1.8
161.13297	5.6
163.11156	2.3
163.14864	3.6
169.10175	2.7
171.11758	7.0
173.13275	8.3
175.14885	4.9
179.14342	2.0
183.11755	3.3
185.13330	6.7
187.14876	5.1
197.13301	1.9
199.14911	3.9
201.16573	2.5
205.19592	2.1
210.58748	1.6
213.16499	3.2
231.17540	3.3
247.20663	1.9
259.20639	2.5
261.22116	2.5
277.18097	10.1
277.21222	3.6
317.32370	1.7
335.25912	4.2
337.27502	3.0
356.07361	1.6
451.35440	1.6
521.43207	7.3
522.88879	1.7
539.44409	3.5
595.47156	8.6
599.86023	1.7
613.48297	100.0
614.49097	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03940	3.1
55.05516	16.1
57.03436	5.9
57.07070	3.2
65.03938	1.6
67.05508	46.9
69.07076	15.6
69.80688	6.1
71.08614	1.4
79.05496	22.4
81.07059	45.5
83.04987	1.7
83.08606	8.2
91.05486	19.5
93.07048	27.5
95.04997	1.7
95.08613	39.4
97.06501	2.2
97.10175	4.1
99.08060	1.4
105.06337	1.3
105.07036	18.8
107.08598	18.9
109.06538	1.5
109.10159	20.1
110.17039	1.4
113.23269	1.3
117.06988	7.3
119.08584	22.0
121.10143	16.3
123.11720	8.4
125.09631	1.9
129.07024	4.5
131.08559	14.6
133.10144	17.6
135.11697	13.6
137.13258	3.1
143.08577	5.4
145.10126	13.6
145.11160	1.3
145.51306	1.2
147.11678	14.5
149.13210	6.5
155.08577	2.0
157.10136	6.7
159.11716	11.8
161.13260	10.3
163.14844	3.7
169.10150	2.4
171.11728	4.7
173.13257	7.8
175.14891	5.5
179.14281	1.5
183.11723	1.6
185.13258	4.3
187.14832	5.9
189.16393	1.7
197.13240	1.1
199.14864	3.6
201.16399	4.1
211.14799	1.1
213.16415	3.1
215.17915	2.1
226.17256	1.1
227.18152	2.1
227.42055	1.0
229.19563	1.6
232.86642	1.1
241.19626	4.1
243.21153	1.6
245.18977	1.8
259.20551	7.4
261.22131	9.7
263.23743	1.9
271.20682	1.6
273.22083	1.7
277.21674	1.8
279.23138	1.4
313.25354	1.4
315.23297	1.5
315.26920	1.5
317.24615	1.7
333.24332	5.3
335.25848	13.2
337.27475	8.8
347.25711	1.4
363.29181	1.5
369.31668	1.9
383.33533	1.3
489.35910	1.4
517.39026	1.2
521.43652	3.8
539.44678	2.9
543.40656	2.0
581.05542	1.2
595.47314	11.3
613.48285	100.0
614.48523	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03939	3.3
55.01870	1.9
55.05512	21.2
55.80125	1.4
57.03444	7.0
57.07067	3.5
61.50025	1.0
62.88700	1.3
65.03933	2.9
67.05508	60.4
69.07073	22.2
71.04980	2.3
71.08630	1.2
71.23471	1.1
79.05020	1.6
79.05494	32.0
81.07059	62.8
83.04964	1.5
83.08621	11.0
85.06548	2.4
85.10183	1.7
91.04931	1.4
91.05091	0.9
91.05486	22.8
93.07045	39.9
95.05020	1.4
95.08611	53.1
97.06541	3.6
97.10162	5.3
98.20731	2.5
105.04517	1.4
105.07030	29.6
107.08600	28.0
108.63092	1.4
109.10168	26.8
111.08076	2.6
117.07035	11.3
119.08586	27.1
121.10140	21.0
123.08088	1.3
123.11715	10.0
125.09600	1.9
129.07016	5.1
131.08586	20.4
133.09145	1.5
133.10147	24.2
135.11711	13.9
137.09601	1.6
137.13295	3.2
143.08546	5.7
145.10127	20.2
147.11676	19.1
149.13248	11.9
157.10204	8.6
159.11705	15.2
160.48724	1.2
161.13261	14.2
163.11189	1.5
163.14841	4.6
169.10167	2.9
171.11707	6.8
173.13228	13.3
175.14772	6.2
177.16449	2.6
179.18079	1.2
183.11787	2.7
185.13368	6.2
187.14853	8.4
189.16380	2.4
190.07877	1.2
191.17972	1.3
195.11638	1.2
197.13283	2.3
199.14842	3.7
201.16382	5.6
203.18042	1.8
211.14857	1.7
213.16403	2.4
215.18060	2.7
217.19514	1.5
219.74640	1.2
229.19560	2.3
241.19597	3.9
243.21043	2.0
259.20581	8.1
261.22131	11.9
263.23770	2.0
287.23782	2.4
299.23804	2.6
313.25217	1.5
317.24860	1.9
333.24271	5.6
335.25760	14.2
337.27457	9.0
389.79382	1.2
424.39127	1.3
477.36041	1.4
489.35675	1.9
503.36942	1.8
515.37256	1.6
517.39130	1.7
521.43561	3.7
529.39996	1.9
539.44562	3.9
543.40472	2.1
595.47180	13.7
613.48279	100.0
614.48785	3.7
628.27692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03949	2.2
55.01867	3.5
55.05512	21.7
56.35649	1.0
57.03444	7.1
57.07071	5.3
64.89070	0.9
65.03943	3.2
67.05507	66.1
69.07071	25.8
69.85493	5.1
71.04978	1.6
71.08643	2.6
73.04765	2.3
79.05499	39.9
81.07057	68.7
83.04990	3.0
83.08620	14.7
85.06545	2.0
90.97540	1.0
91.05473	26.7
92.36967	0.9
93.07047	43.4
95.04990	3.4
95.08000	2.4
95.08612	50.1
97.05750	0.9
97.06528	3.5
97.10187	5.4
98.21500	1.7
99.08070	1.4
105.04497	1.7
105.07037	31.4
107.04975	1.2
107.08593	27.3
109.06528	2.4
109.09466	0.9
109.10167	25.0
109.10933	1.4
111.04510	1.1
111.08083	2.8
111.11759	1.3
114.93732	1.0
115.05465	1.3
116.43056	1.0
117.07026	11.1
119.08592	25.7
121.10142	21.0
123.08077	2.2
123.11720	11.8
125.09618	1.4
128.06265	1.4
129.07001	6.3
131.08575	22.3
131.09538	1.3
133.10139	24.0
135.08075	1.7
135.11700	16.1
137.05978	11.2
137.09615	1.2
137.13278	3.1
139.11276	1.3
141.06972	1.2
143.08556	8.2
145.10138	19.8
147.11687	16.2
149.09682	2.7
149.13272	9.0
151.07607	1.4
151.14923	1.1
152.27794	1.1
155.08601	2.6
157.10150	7.9
159.11710	15.4
161.13275	10.6
163.11203	2.2
163.14795	7.7
169.10121	2.1
171.11717	8.2
173.13284	11.2
175.11223	1.2
175.14828	5.5
177.16399	1.9
179.14378	1.8
183.11717	3.9
185.13283	5.9
187.14804	6.5
189.16397	2.2
191.17993	1.0
195.11763	1.7
197.13336	2.6
199.14847	3.7
201.16429	3.0
203.17989	3.0
211.14867	2.7
213.16507	2.1
215.18018	2.7
216.23753	1.0
217.19431	1.6
223.14824	1.6
225.16447	1.5
229.19585	2.3
231.17606	1.2
231.21164	2.3
239.18007	1.4
241.19606	3.2
243.21062	1.5
245.22591	1.0
257.19128	1.1
259.20541	9.6
261.22159	9.7
263.23730	1.8
265.42316	0.9
273.21924	1.8
277.18091	6.8
277.21320	2.2
285.01181	1.1
285.22119	2.2
287.23611	1.2
299.23666	1.3
317.24930	1.8
327.26968	1.4
333.24274	5.9
335.25952	11.8
337.27411	9.6
341.28644	1.6
349.27484	1.3
356.06982	1.5
357.06937	1.2
358.06992	1.6
365.60165	1.0
397.31006	1.2
487.33414	1.0
489.36032	2.6
521.43927	6.1
529.38702	1.3
539.44525	4.2
543.40735	1.8
583.28333	1.1
595.47430	9.9
613.48267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2657
Annotation	Karajinone B
Peak:m/z	Relative Intensity
51.57990	2.6
53.48349	2.5
55.05500	3.4
61.27309	2.2
67.05502	9.0
69.07073	3.6
69.39542	13.5
69.39948	5.7
77.99319	2.5
79.05513	5.6
81.07072	5.6
85.02879	2.5
91.05485	6.0
93.07041	4.9
95.08589	5.1
105.07042	6.7
107.08586	5.3
109.02858	3.2
109.10091	2.8
109.92053	2.2
114.73710	2.6
119.08612	6.0
122.03601	2.5
125.06087	2.7
129.07037	2.9
131.04970	3.0
131.08530	3.5
136.07550	2.8
137.05997	40.8
146.09682	2.5
147.04416	5.5
151.04021	3.2
167.07120	13.4
173.05997	3.0
173.13319	2.9
174.09221	6.6
181.05025	7.6
187.12328	3.7
187.14917	3.3
188.10739	3.9
215.11870	3.2
225.10342	4.0
227.11926	3.5
229.58269	2.6
239.11909	3.1
241.13506	5.8
243.11284	19.3
267.11346	8.6
269.12949	9.7
271.10757	3.6
287.14175	2.8
295.10843	4.0
321.86163	2.7
327.13568	10.0
328.14230	3.1
329.11691	3.2
342.12378	4.9
343.13278	4.4
344.14014	5.4
348.13681	3.3
356.14346	2.9
358.15759	4.2
370.15753	3.0
372.17245	5.4
387.14450	22.0
418.17438	5.2
435.19141	3.6
446.17087	4.3
447.22531	3.2
465.19223	7.5
477.19370	3.9
479.20975	7.1
480.21576	4.6
490.19980	6.0
493.22769	3.7
508.21753	3.5
535.23499	17.4
553.24573	71.8
563.22900	4.5
581.23944	64.5
590.33264	3.5
613.26727	100.0
613.37195	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	613.266
Annotation	Karajinone B
Peak:m/z	Relative Intensity
55.05504	0.5
67.05511	1.0
69.07058	0.6
69.44564	2.4
69.58401	0.3
79.05492	0.8
81.07055	1.1
91.05478	0.8
93.07046	1.1
95.08599	1.1
98.20768	0.7
104.10693	0.7
105.07045	0.7
107.08601	0.8
109.06515	1.3
121.10123	0.5
144.08096	0.5
146.05963	0.4
146.09642	0.4
147.04410	1.1
148.04709	0.5
211.08723	0.6
249.10306	0.8
263.11438	0.5
285.12234	0.4
285.88986	0.4
293.21191	0.5
325.16058	0.4
342.15918	0.4
347.88181	0.4
351.16309	0.7
354.15668	0.5
366.14780	1.2
367.15442	0.9
367.19327	1.1
379.15494	0.9
380.16293	1.1
381.17026	2.5
382.18088	0.5
393.17038	1.2
394.18030	1.3
395.18832	3.5
396.19443	4.2
397.20221	1.4
407.18832	0.7
408.15384	0.5
409.15591	2.1
409.20490	1.7
410.21402	0.9
411.22104	2.1
423.17599	2.7
423.22589	1.1
424.18945	4.3
425.19788	0.6
436.19363	0.7
437.16028	2.1
437.20770	0.9
438.20502	2.6
439.21332	5.3
449.19839	1.4
450.21161	0.5
451.16937	4.0
452.17847	2.1
453.19174	1.1
455.20825	0.5
465.19058	1.1
466.19794	4.5
467.20908	2.7
478.20053	0.5
479.20990	2.3
482.23267	1.6
483.23874	1.5
484.24777	0.9
493.22784	2.0
495.20728	0.5
497.18228	0.6
497.25391	1.2
510.22531	1.5
511.19461	0.5
521.20862	0.4
525.25189	8.8
535.23230	0.9
538.22247	1.7
539.23004	1.4
553.24481	16.4
554.24939	0.7
581.24066	1.0
585.27661	0.5
598.23730	0.5
613.26563	100.0
614.27008	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2285
Annotation	PROTOCHLOROPHYLLIDE
Peak:m/z	Relative Intensity
51.02378	0.3
53.03938	0.5
55.01871	0.6
65.03946	2.6
67.05495	1.0
68.15978	0.3
69.03416	0.9
70.65031	0.4
70.65364	0.7
72.80312	0.3
78.04723	3.8
79.05511	1.9
81.03421	0.7
81.07069	0.6
84.40907	0.3
85.02923	1.6
88.96080	0.3
89.03926	0.4
91.05489	4.9
93.03393	1.4
94.04189	0.4
95.04965	1.5
96.05780	0.4
96.71358	0.3
97.06532	1.1
103.05469	2.9
106.04188	1.9
107.04981	2.0
108.02088	0.3
109.06516	0.4
110.03707	1.5
111.04440	0.5
115.05467	5.6
116.06239	0.3
117.07036	9.5
117.07861	0.6
119.04954	3.9
119.08669	0.3
119.93002	0.3
121.02825	0.3
122.03651	0.8
123.03593	0.5
123.04445	8.5
123.05341	0.5
124.05240	2.5
125.06014	1.2
127.05444	1.6
130.04089	0.4
131.04941	1.3
132.24460	0.3
133.02905	0.5
133.06502	0.7
134.03638	0.5
135.04457	0.6
137.04921	0.4
137.05989	6.7
138.03130	0.5
142.02643	0.8
143.04897	0.8
144.05696	1.1
145.06503	13.8
147.04434	5.0
147.08095	0.8
148.04887	0.6
149.05998	0.5
151.03915	4.1
151.07542	0.6
152.04684	1.8
153.05466	3.0
155.04875	0.6
155.06055	6.1
160.05220	0.3
161.06018	1.1
162.06786	0.7
163.03894	0.8
163.07562	0.5
165.05447	0.9
167.07057	100.0
168.07457	0.3
171.06561	1.0
173.06004	22.9
175.07585	1.0
177.05469	0.5
179.07071	1.4
181.04976	34.8
189.05464	0.4
191.07053	1.9
201.05533	0.6
203.07094	1.1
205.08636	5.6
207.06526	0.5
208.07101	0.4
231.06627	0.9
231.45456	0.4
233.08104	5.4
235.09702	4.8
250.06175	0.5
265.08707	0.4
267.06604	0.4
281.08014	0.4
297.11392	0.5
303.05121	0.6
310.08316	0.4
315.27872	0.3
325.10724	0.8
342.07352	0.3
342.11234	0.4
355.11719	0.6
357.13397	3.9
385.12848	20.2
386.13492	0.7
387.14389	6.9
417.15485	9.8
583.21973	2.7
613.22876	38.0
614.23486	1.0
627.48016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03949	0.8
55.01869	0.8
55.67841	0.3
59.10761	0.3
59.61638	0.3
65.03943	2.4
67.05498	0.8
69.03419	0.5
71.16875	0.8
78.04705	3.4
79.05492	1.9
81.03413	0.4
81.07055	0.5
82.04185	1.0
85.02895	1.4
91.05492	4.4
93.03403	1.2
94.04217	0.7
95.04954	1.4
97.02903	0.4
97.06528	0.7
103.05466	2.7
106.04176	1.9
107.04951	2.9
110.03655	1.0
111.04458	0.5
113.43277	0.3
115.05455	6.7
117.06236	0.6
117.07019	8.4
119.04941	3.5
119.08571	0.6
122.03642	1.1
122.89343	0.3
123.03592	0.7
123.04437	9.0
124.05210	2.8
125.06010	0.8
127.05433	1.5
131.04895	0.8
133.02846	0.5
135.04387	0.4
137.02361	0.4
137.05984	4.4
138.03143	0.8
142.02602	1.0
143.04918	1.0
144.05704	0.8
145.06490	12.2
147.04433	3.7
147.08005	0.6
151.03894	2.1
151.04974	0.4
151.07504	0.6
152.04729	2.3
153.05479	3.1
155.04843	0.7
155.06041	6.9
160.05183	0.6
161.06023	0.6
165.05475	1.0
167.07047	100.0
168.07379	1.3
171.06551	1.1
173.06000	22.1
175.07523	0.9
179.06989	1.7
181.04965	33.2
182.05293	0.5
183.92244	0.3
191.07039	1.2
201.05440	0.5
203.07103	1.1
205.08636	4.9
215.97141	0.4
231.06621	0.8
233.08121	5.7
235.07535	0.3
235.09662	6.4
236.47932	0.4
239.07227	0.4
281.08228	0.5
293.07977	0.5
294.08740	0.5
310.08221	0.4
325.10623	0.7
340.99112	0.4
357.13248	3.6
385.12836	21.5
386.13455	0.8
387.14420	7.5
417.15482	12.8
583.21588	1.8
613.22833	42.5
614.23254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35136	0.4
53.03931	0.8
55.01856	0.5
65.03941	2.8
67.05509	0.8
69.03426	0.5
71.16124	0.3
72.38072	0.3
77.03923	0.4
78.04716	2.7
79.05477	1.3
80.75059	0.3
81.03421	0.8
81.07016	0.3
82.04187	0.9
85.02895	1.4
91.05484	4.8
93.03388	1.5
94.04147	0.4
95.04966	1.7
97.06538	0.8
100.66636	0.3
102.04679	0.4
103.05473	2.7
105.03407	0.6
105.04490	0.4
106.04202	2.2
107.04961	2.5
108.02089	0.3
110.03670	0.8
111.04447	0.7
111.35424	0.3
115.04705	0.5
115.05456	6.3
117.07024	9.2
118.04050	0.4
119.04948	5.1
121.02917	0.4
121.06492	0.4
122.03632	1.1
123.03596	0.5
123.04439	8.2
124.05255	2.3
125.05948	1.1
127.05435	1.6
128.06152	0.4
131.04922	1.1
132.05685	0.4
133.02861	0.4
134.03636	0.5
135.04347	0.5
137.05981	12.4
138.03117	0.7
142.02634	1.1
143.04910	1.2
144.05705	0.5
145.06488	12.0
147.04416	9.4
147.08031	0.9
148.04765	1.4
151.03900	2.7
151.07542	0.7
152.04694	2.3
153.01849	0.4
153.05470	3.3
155.04855	0.7
155.06038	6.2
157.06511	0.4
160.05177	0.5
161.06006	0.7
163.03944	0.5
165.05486	1.0
167.07043	100.0
171.06558	1.1
173.05994	24.0
175.07576	1.1
179.07115	1.8
181.04961	34.0
190.06329	0.3
191.07053	0.5
201.05467	1.1
203.07013	1.4
205.08633	5.2
207.06464	0.4
207.10146	0.5
231.06500	0.6
233.08073	6.2
234.06677	0.3
235.09665	4.6
250.06389	0.5
265.08740	0.4
283.09531	0.4
287.05664	1.0
293.08112	0.8
294.86374	0.4
297.11295	0.9
303.05023	1.0
304.05341	0.8
305.05438	0.8
310.08353	0.5
324.09879	0.4
325.10794	0.5
342.11075	0.5
355.11951	0.5
357.13373	3.5
385.12839	19.6
386.13449	0.9
387.14377	10.2
417.15463	14.6
583.21832	2.8
613.22797	37.2
614.22998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.6
55.05514	28.1
55.46642	3.5
55.79679	3.8
57.03437	15.9
57.07065	5.1
67.05510	78.1
69.07076	24.4
69.46421	6.7
69.46818	25.6
71.04972	4.5
71.60011	3.7
79.05496	57.0
81.03420	67.2
81.07059	91.2
82.07365	7.2
83.04948	5.8
83.08630	23.5
85.02877	3.8
85.06515	5.5
91.05481	42.1
93.07056	58.0
95.04980	21.9
95.08611	61.1
96.08915	6.6
97.06534	4.9
97.10168	9.6
105.07047	43.3
106.07381	7.9
107.04939	6.8
107.08604	32.3
108.08952	6.0
109.10158	23.8
110.10432	4.0
111.08091	9.9
116.91825	3.6
117.07018	18.0
119.08594	34.9
120.08906	8.4
121.10129	29.6
123.11697	8.8
123.27190	4.0
129.07005	12.1
131.08571	31.0
132.08894	5.5
133.10149	26.0
134.10498	5.5
135.11703	16.5
136.11967	4.2
143.08531	11.2
145.10130	25.0
146.10437	4.5
147.11707	21.9
149.13248	8.1
156.08926	4.3
157.10074	12.3
159.11694	20.1
160.12051	4.6
161.13295	7.7
171.11684	12.1
172.12013	4.6
173.13274	12.7
174.13617	5.7
175.11115	3.9
175.14886	5.3
183.11635	5.8
185.13216	7.1
193.12241	12.1
199.14758	6.4
227.12747	6.1
241.19685	6.0
259.20688	10.7
260.21042	11.1
261.22141	14.7
267.15979	61.0
288.27594	4.2
299.23523	4.1
333.24146	5.0
334.24643	5.9
335.25803	56.0
336.26077	14.8
352.73083	4.4
407.24045	5.4
453.33344	4.2
520.42334	8.3
527.37421	35.4
541.08093	4.9
545.38245	7.8
556.26099	3.9
594.45874	10.5
612.47101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
55.01870	7.2
55.05498	18.5
57.03421	22.7
57.51554	5.4
67.05511	67.1
68.16774	5.2
69.07068	14.5
69.16689	9.2
69.17095	45.9
79.05160	4.2
79.05498	44.7
81.03423	82.5
81.07050	57.5
83.05004	6.5
83.08612	30.2
91.05481	43.9
93.06556	5.5
93.07057	48.1
95.04941	20.8
95.08609	45.4
97.06528	7.1
98.20786	9.9
105.07033	36.6
107.08596	23.6
109.10142	21.3
117.06908	6.8
119.08589	27.3
121.10144	30.3
123.08132	6.3
123.11726	6.3
129.07014	10.6
131.08553	15.1
133.10138	17.0
135.11667	9.5
143.08511	6.0
145.10184	6.6
147.11617	12.1
157.10126	13.3
159.11613	10.5
161.13226	8.4
173.13254	6.8
175.11177	10.0
175.14854	6.4
193.12210	21.6
261.22113	16.6
267.15887	100.0
274.81763	5.1
333.75931	5.1
335.25797	78.5
377.52014	5.9
421.25995	5.4
435.32584	6.0
453.33890	7.8
527.37512	45.9
545.38257	22.4
559.69366	6.1
612.27435	12.5
612.46808	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	612.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.2
55.01881	11.6
55.05513	41.3
57.03442	25.0
57.07074	7.0
63.89592	4.3
64.59078	4.3
67.05508	100.0
68.73392	5.0
69.03429	7.7
69.07068	38.3
69.82017	20.6
70.06587	18.2
71.04991	11.7
73.04783	6.8
77.03960	5.6
78.20425	4.9
79.05501	83.0
81.03419	70.9
81.07061	90.7
83.05000	25.9
83.08642	28.1
85.02935	23.5
88.07638	15.5
91.05476	94.3
91.78057	5.2
93.07053	80.0
95.04980	43.2
95.08601	42.8
97.06536	16.4
97.10150	7.8
102.09197	17.0
103.05486	5.5
103.72585	4.6
105.07034	69.7
107.04965	20.0
107.08595	40.3
109.06524	11.2
109.10149	15.9
111.08092	17.2
117.07028	21.1
119.08590	51.5
121.06577	8.0
121.10144	22.6
123.08102	11.5
123.11713	6.7
125.09663	5.8
129.07002	21.2
131.08568	37.2
133.10127	36.8
135.11713	17.6
137.09647	10.8
139.39365	4.5
143.08574	11.7
145.10150	17.6
147.04437	33.0
147.08105	10.9
147.11659	27.0
149.02357	10.5
149.09613	23.6
149.13290	11.4
151.11301	4.8
157.10123	24.6
159.11707	18.1
161.67793	4.8
162.93062	4.4
163.11217	14.3
163.66843	5.4
173.13257	5.4
175.11189	16.5
177.05476	6.7
179.14384	5.5
191.07059	54.4
193.12267	62.6
195.13835	8.5
210.73814	4.4
211.13304	75.4
219.06468	6.2
227.12863	14.7
228.23260	12.0
239.18181	4.6
255.15959	8.5
256.26404	36.5
257.19049	6.4
259.13348	9.3
260.13681	5.3
266.13644	5.5
267.15933	21.2
269.17480	15.5
275.20032	38.6
285.16974	49.8
287.05469	10.0
288.05792	10.0
328.37247	4.9
336.26233	5.3
343.08130	5.6
349.23816	18.9
357.09689	13.9
373.39706	5.0
383.11298	30.0
391.21103	5.3
411.10699	7.9
461.29147	14.2
465.28543	12.4
479.30020	51.0
559.36255	12.8
566.38983	5.5
612.35352	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.9
55.01868	10.4
55.05512	44.0
57.03434	19.2
57.07084	10.5
67.05510	99.1
69.03423	10.1
69.07065	40.7
70.06574	10.6
71.04966	7.2
71.50318	8.9
79.05493	76.6
81.03423	69.9
81.07055	100.0
83.05013	24.7
83.08616	32.2
83.54495	5.2
83.55016	4.5
85.02901	30.1
88.07658	6.2
91.05473	78.1
93.07042	70.2
95.01333	7.1
95.04963	42.7
95.08608	48.8
97.02946	8.3
97.06527	19.6
97.10180	14.8
99.08061	5.7
99.76863	4.6
102.09189	7.9
105.07033	68.8
107.04946	13.0
107.08582	37.4
109.06523	11.4
109.10141	17.7
111.08077	19.8
117.07034	15.3
119.08591	45.5
121.06519	8.7
121.10157	28.8
125.09580	6.3
129.07004	17.4
131.08551	27.6
133.10110	39.6
135.08105	5.6
135.11723	14.5
145.10138	16.7
147.04433	21.3
147.08034	7.4
147.11693	30.1
147.92690	5.4
148.04686	5.2
149.02431	6.5
149.09641	21.1
149.13309	11.9
155.08551	5.6
157.10150	20.6
159.11717	15.5
161.13240	6.9
163.11211	15.8
171.11714	5.1
173.13269	6.4
175.11194	18.1
177.12772	5.7
191.07079	18.9
193.12248	66.4
193.52908	5.6
211.13313	70.3
219.06592	5.9
227.12762	13.0
228.23235	8.9
229.97835	4.6
255.15817	9.6
256.26367	11.4
257.18918	8.4
259.13290	6.8
260.13614	4.5
267.15884	25.0
269.17499	19.2
275.20068	31.4
285.16946	54.5
287.05530	9.1
349.23685	14.1
352.37943	5.3
383.11258	12.8
461.28848	14.9
465.28476	11.5
470.24911	4.8
479.30054	58.3
541.35120	6.4
559.35742	13.3
612.35095	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	612.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
57.03416	0.7
57.07061	1.4
67.05508	2.7
69.07047	1.2
69.60274	2.0
69.60688	1.4
79.05481	1.5
81.07065	2.4
81.07474	0.7
85.10126	0.5
86.00381	0.5
87.04462	0.7
88.87224	0.5
91.05441	1.2
93.07015	1.4
93.96420	0.5
95.08611	1.9
98.98456	1.8
105.02811	0.5
105.07086	1.2
107.08608	1.3
109.10136	1.1
117.05730	0.5
118.06547	4.8
119.08564	1.5
125.00009	5.4
131.08563	0.6
132.08086	2.0
133.08858	0.9
133.10097	0.6
144.07033	0.9
144.08081	12.6
146.09624	1.6
146.30794	0.4
154.24390	0.5
158.09615	4.4
159.10435	1.7
159.11623	0.6
162.09151	2.6
172.11183	3.3
176.10677	1.5
176.14355	21.4
177.11369	0.8
190.12186	1.1
202.15918	100.0
203.16296	0.8
220.16969	98.3
221.17274	1.1
277.21597	0.6
300.13605	69.8
313.27542	0.6
374.17432	0.8
446.29752	0.6
571.25378	0.7
594.39020	7.7
612.40045	33.2
613.39899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.3
53.03942	5.0
53.44293	1.2
55.01868	2.6
55.05513	21.8
57.03449	6.8
57.07071	4.2
65.03939	2.8
66.35223	1.3
67.05508	56.8
69.07077	19.9
71.04987	2.6
71.50479	2.4
73.04743	2.3
79.05023	1.8
79.05497	41.8
81.07063	53.8
83.04982	2.0
83.08621	8.3
85.06540	2.1
88.44488	1.5
91.05479	36.4
93.07048	47.9
95.04966	3.1
95.07994	2.6
95.08607	41.8
96.56613	1.3
97.06525	3.6
97.10168	5.5
99.08092	3.2
103.05489	1.4
105.04540	1.5
105.07040	33.2
107.08596	24.6
109.06532	4.4
109.10172	16.9
111.08102	2.1
115.05468	1.9
117.07019	19.2
117.84089	1.3
119.08590	31.1
121.10150	16.2
123.11699	6.4
125.09644	2.0
128.06236	4.6
129.07027	8.4
131.08572	24.4
133.10149	21.5
135.08002	1.3
135.11702	11.0
137.05966	6.5
137.09618	1.7
141.07025	3.1
142.07765	2.6
143.08575	15.5
145.10155	18.4
147.11694	16.5
147.72630	1.4
149.09683	2.9
149.13272	8.0
151.11108	2.3
154.44542	1.3
155.08606	5.0
157.10141	13.1
159.11702	19.5
161.13261	10.1
163.11176	2.4
163.14874	3.8
165.12825	1.6
167.08572	2.3
169.10135	9.6
171.11670	11.8
173.13258	10.8
175.11249	1.9
175.14867	3.5
177.12775	1.3
179.14261	2.1
181.10170	3.3
183.11673	8.5
185.13280	8.3
186.13495	1.3
187.14867	5.4
189.16412	1.5
197.13339	5.5
199.14804	8.2
201.16422	4.5
211.14845	4.2
213.16434	5.4
215.17993	2.8
219.17580	1.4
223.14973	1.4
225.16473	2.4
227.17899	1.8
229.19633	2.3
231.17563	2.3
232.38197	1.3
239.17976	3.3
241.19601	4.3
243.21184	1.5
248.88104	1.2
255.21025	1.3
257.19131	5.4
259.20639	10.0
261.22156	3.2
263.24026	1.4
267.21268	1.4
275.20200	4.8
277.18103	5.4
277.21640	2.2
277.45547	1.5
285.01260	1.7
286.00818	1.4
299.23749	1.5
315.23270	1.8
325.25027	1.6
333.24225	9.5
335.25888	12.2
337.27893	1.9
353.28378	1.5
409.30896	1.7
449.34366	1.9
519.42084	5.8
522.80280	1.7
537.42877	3.8
593.45612	9.0
611.46747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01865	2.8
55.05514	20.3
57.03185	0.9
57.03437	6.5
57.07082	3.2
62.22913	1.1
65.03943	2.6
67.05508	55.4
69.07072	17.0
71.05005	1.9
71.08634	1.6
79.05499	36.5
81.07062	50.9
83.04991	1.8
83.08639	6.0
85.06557	3.0
86.51492	0.9
88.38524	1.1
91.05486	37.3
93.07045	45.3
94.21681	1.0
94.38267	1.1
94.60563	1.0
95.04963	2.9
95.08611	42.4
97.06516	2.1
97.10181	4.4
99.08125	1.3
105.07038	35.7
107.08602	23.7
109.06523	1.6
109.10168	18.2
111.08089	1.8
115.05476	1.8
117.07027	15.1
119.08589	27.6
121.10159	19.6
123.11694	5.6
123.95036	1.1
125.09703	1.5
128.06242	3.0
129.06996	11.4
131.08574	29.4
133.10143	24.4
135.11713	12.2
135.30185	1.1
137.13235	1.6
141.07037	2.6
142.07787	2.2
143.08568	12.1
145.10143	22.1
145.11279	1.3
147.11711	19.9
149.09669	1.7
149.13272	7.5
151.14854	1.0
155.08592	7.0
156.09386	1.8
157.10141	13.9
159.11703	18.6
159.12889	1.7
160.77940	1.2
161.13254	12.6
163.11211	1.9
163.14847	3.1
167.08627	1.5
169.10118	7.7
170.92947	1.3
171.11691	12.4
173.13260	10.4
175.14861	7.1
181.10172	2.3
183.11722	7.2
185.13251	11.0
187.14841	5.7
189.12929	1.6
189.16359	1.5
195.11748	3.5
197.13342	4.5
199.14868	8.3
201.16426	3.4
203.14305	1.1
209.13326	2.8
211.14851	4.2
213.16426	3.2
215.18065	3.2
221.13277	1.1
223.14796	2.0
225.16437	3.2
227.18025	2.7
229.19548	1.4
231.21106	3.1
239.18024	3.2
241.19579	8.9
243.21156	2.3
255.21368	1.2
257.19147	2.5
259.20590	17.8
261.22226	4.0
271.20477	1.3
285.22327	1.7
315.23386	1.5
323.23380	1.4
333.24310	12.4
335.25891	16.3
337.27698	1.6
339.26889	2.5
384.42523	1.2
405.32132	1.5
519.42255	5.9
527.37109	1.3
537.43262	3.8
541.39111	1.8
593.45618	8.5
611.46722	100.0
612.47229	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88559	0.9
53.03939	3.1
55.01870	1.6
55.02250	0.9
55.05515	18.1
57.03433	4.0
57.07073	4.5
65.03934	1.4
65.11181	0.9
67.05511	31.4
69.03403	1.0
69.07069	14.2
71.05005	1.4
71.08631	1.5
71.50465	1.0
71.64330	1.2
73.04749	3.2
79.05500	23.1
81.07061	30.4
83.04976	1.9
83.08620	8.6
85.06550	2.1
91.05457	20.4
93.07048	23.7
95.04986	2.9
95.08614	23.7
95.09194	1.9
97.06599	1.9
97.10179	2.6
99.08102	1.4
105.07034	20.5
106.23567	1.2
107.08606	11.7
109.10165	10.9
111.08067	1.7
115.05478	1.7
117.07024	12.9
119.08592	14.6
121.10143	10.0
123.11749	3.0
125.09625	2.5
128.06245	2.9
129.07027	8.8
131.08572	18.4
132.08968	1.4
133.10147	10.2
135.11679	6.3
137.06027	1.8
137.13306	1.4
138.47145	1.0
141.07016	4.0
142.07802	1.5
143.08582	12.3
145.10147	13.7
147.04417	1.6
147.11711	5.8
149.13255	2.4
151.11230	1.8
155.08568	7.8
157.10132	12.1
157.11349	1.4
159.11697	10.9
159.55077	1.0
161.13278	4.2
163.11263	1.1
163.14842	1.6
167.08607	3.1
169.10144	9.4
171.11713	9.6
173.13222	7.1
175.14857	2.6
179.14432	1.1
181.10139	4.3
183.11714	7.5
185.13338	7.1
187.14827	4.7
189.11328	1.2
189.16428	1.4
191.18025	1.2
195.11801	3.8
197.13272	5.5
199.13274	1.2
199.14827	5.4
201.16475	3.1
203.18120	1.4
207.11687	1.5
209.13274	2.5
211.14893	4.6
213.16432	4.3
215.18010	2.2
221.13007	1.2
223.14928	2.3
225.16518	1.9
227.17935	3.3
229.19612	3.1
231.88464	1.1
239.18018	2.1
241.19659	2.6
243.21228	2.0
247.20795	1.2
251.17955	1.7
253.42920	1.1
257.18973	1.4
259.13290	1.1
259.20807	1.3
267.21188	1.5
275.20148	4.1
277.18079	2.7
277.21667	1.9
283.24353	1.4
287.05292	1.2
297.22122	1.4
299.06259	1.3
313.21683	1.5
325.29492	1.1
335.25995	1.3
353.28586	1.7
355.07147	2.4
356.07034	1.4
415.00641	1.1
423.32498	1.7
466.77570	1.2
501.40936	1.8
519.41913	7.4
537.43115	5.2
541.39099	1.4
575.44391	1.6
593.45752	9.3
611.46790	100.0
612.46942	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03118	1.8
53.03941	4.1
55.01881	3.5
55.05522	16.2
56.46032	1.8
57.03428	7.3
57.07067	2.6
65.03939	2.2
67.05510	43.5
69.03416	2.3
69.07082	11.4
71.50556	2.3
79.05501	35.1
81.03417	7.4
81.07060	36.2
83.04969	2.3
83.08614	8.1
83.37356	1.7
86.09705	3.7
89.11558	1.9
91.05476	26.9
93.07050	32.4
95.01334	25.7
95.04984	9.8
95.08614	24.1
97.06501	2.3
97.10158	6.4
103.05434	3.5
104.10754	4.1
105.07033	14.6
107.04948	7.3
107.08589	16.2
109.02934	2.2
109.06502	2.9
109.10166	7.0
111.08114	3.1
115.05427	3.5
117.06993	8.1
119.04928	4.9
119.08630	11.1
121.02843	3.0
121.10147	13.7
123.04408	3.9
123.11753	2.7
125.09639	2.5
129.07039	5.8
131.04938	3.4
131.08591	9.6
133.06516	4.1
133.10129	7.5
134.74614	2.3
135.08046	2.6
135.11676	6.3
140.38232	1.9
143.08548	6.0
145.06445	5.4
145.10114	6.1
147.04419	100.0
147.08002	2.5
147.11705	4.6
149.05959	1.9
149.09628	3.1
149.13255	4.2
157.06514	2.5
159.08118	2.2
159.11726	4.1
161.06017	6.9
161.13263	5.0
163.14911	2.0
167.08623	2.5
169.10146	3.8
171.08032	3.5
173.06012	4.0
173.13210	3.1
183.11690	2.8
187.11211	2.0
187.14984	2.3
197.09578	1.9
201.61148	1.9
222.10675	2.1
231.13824	2.4
241.12326	3.1
259.10556	4.2
259.13324	84.7
261.22110	6.2
272.94107	1.8
277.14392	5.2
287.05399	9.3
289.14380	6.0
292.92673	2.2
297.15039	2.8
315.15894	5.8
333.17017	22.6
335.25806	40.1
355.06702	2.3
356.07071	3.0
501.34042	3.1
507.22937	3.2
519.34418	2.6
551.23059	12.2
593.38293	8.0
611.26904	22.5
611.39148	18.1
612.25708	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62533	0.6
62.95142	0.6
63.12052	0.6
69.07070	1.0
69.29078	3.3
69.29501	1.7
72.17336	0.6
75.30754	0.6
76.39508	0.6
79.05503	0.8
91.05471	0.5
94.04177	1.5
107.08588	1.0
122.03667	4.7
126.09169	0.6
133.10127	0.9
135.11693	0.9
137.05988	100.0
153.12733	0.7
170.15445	2.6
182.15402	4.1
281.33179	0.7
287.05542	1.1
296.09460	0.7
303.63187	0.6
306.20624	6.1
421.12665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01866	1.8
55.05517	20.2
57.03446	6.9
57.07070	4.9
64.37770	1.2
65.03951	2.2
67.05511	47.7
69.07075	15.2
78.86716	1.3
79.05496	31.1
81.07062	48.0
83.05004	1.7
83.08624	8.8
85.06546	1.9
91.04912	1.6
91.05489	35.9
93.07053	37.5
95.04975	3.4
95.08614	36.6
97.06518	3.1
97.10171	4.5
98.20827	3.4
99.08111	2.3
105.07040	34.5
107.08601	24.0
109.10165	13.8
111.08069	2.1
115.05479	3.0
117.07034	14.6
117.57714	1.3
119.08582	30.0
121.10157	20.9
123.08071	2.2
123.11733	4.7
128.06223	1.9
129.07018	7.4
131.08583	26.7
133.10143	22.4
135.11708	12.2
137.09650	1.6
137.13258	1.6
141.07033	3.0
142.07806	2.6
143.08560	11.6
145.10150	20.3
147.11696	20.8
149.13292	7.6
155.08583	4.9
157.10112	11.8
159.11719	19.3
161.09698	1.5
161.13271	15.2
163.11137	1.9
163.14848	4.0
167.08659	1.5
169.10155	6.8
171.11702	13.1
173.13306	14.5
175.14886	5.2
181.10194	3.9
183.11652	7.2
185.13278	8.8
187.14818	8.2
189.16403	2.3
195.11713	3.2
197.13315	5.1
199.14893	6.3
201.16470	3.6
209.13300	2.2
211.14865	3.8
213.16461	4.5
215.17969	3.8
223.15033	1.8
225.16432	2.4
227.18079	3.1
229.19270	1.5
231.21172	1.7
237.16560	1.9
239.17982	4.1
241.19588	6.8
257.18991	3.6
259.20673	14.7
261.22281	3.5
271.20322	1.2
279.66696	1.4
297.22537	1.5
315.23325	2.2
325.60883	1.6
331.22809	1.3
333.24185	7.1
335.25891	20.1
337.27371	2.2
353.28647	1.5
519.41998	7.3
537.43262	3.1
541.39099	1.6
593.45587	7.9
611.46729	100.0
612.47107	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65963	0.4
65.02402	0.5
67.13665	0.5
71.50040	0.7
79.05508	0.6
85.02953	0.4
91.05448	0.5
91.76933	0.4
93.07085	0.5
105.06970	0.6
107.04997	0.7
119.04954	1.1
121.02863	0.6
126.60148	0.5
131.05023	0.5
135.04382	0.6
137.02339	0.8
137.05998	1.1
145.02841	0.8
147.04425	4.3
151.07503	0.5
159.04185	1.3
163.03908	5.6
167.07097	1.6
171.04149	0.5
177.05594	0.6
179.43239	0.4
181.05055	1.4
189.05244	32.3
202.06125	0.8
203.06796	8.8
204.07632	1.4
205.08560	0.8
216.07634	1.8
217.08395	8.1
233.07985	1.4
256.28952	0.5
270.25351	0.5
287.05505	8.4
303.05026	1.8
305.37494	0.5
337.82385	0.5
345.13940	0.6
369.12885	0.8
383.14700	1.1
399.14020	3.4
413.15726	4.7
414.16605	5.2
611.24652	100.0
612.25397	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2868
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
52.30311	0.3
55.05522	0.4
57.49833	0.2
70.45823	0.8
70.46210	0.6
73.04777	0.4
74.14861	0.3
79.05495	0.6
81.07066	0.4
83.73211	0.3
93.07053	0.6
107.08620	0.3
109.10107	0.3
138.95488	0.3
163.42078	0.3
220.69415	0.3
261.85840	0.3
266.79803	0.3
287.19189	0.3
356.06851	0.4
377.17749	0.5
379.19455	0.4
390.18509	0.9
391.19403	1.1
392.20251	0.7
393.21121	0.7
403.19443	0.7
404.20276	0.7
405.16696	1.8
405.21704	0.6
406.17581	0.6
407.17844	0.5
407.19363	0.5
407.22797	2.8
409.20209	0.7
417.21277	0.5
418.17828	0.7
419.18030	2.8
419.23401	0.6
420.19400	1.1
420.23868	0.7
421.20432	2.4
422.21030	0.9
423.21939	1.3
431.18564	0.4
432.19180	0.7
433.20297	7.1
434.21219	2.2
435.17892	2.6
435.22134	3.4
436.18796	0.7
437.23456	3.6
438.24390	0.9
446.21161	1.7
447.22104	2.5
448.22540	0.9
449.19186	3.3
450.20541	2.5
451.21161	2.6
463.21216	3.5
464.22067	7.5
464.27966	0.6
465.22903	6.8
466.23438	0.4
475.21713	0.4
477.23148	2.3
478.23712	1.0
479.20370	0.5
481.22614	0.4
491.24167	1.2
493.21887	0.5
495.24670	0.4
496.24487	0.4
505.22018	0.5
506.23804	0.5
509.21335	1.8
510.25720	0.4
519.24493	0.4
521.25629	4.8
523.26709	1.3
533.25684	0.5
534.26068	0.4
536.24182	0.9
537.25067	0.6
551.26593	23.2
552.27106	0.7
579.26086	0.7
580.26605	0.4
581.27655	1.5
583.28955	0.4
593.27325	1.0
596.26904	0.3
611.28668	100.0
612.29071	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	611.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.5
53.03943	3.5
55.01873	3.7
55.05520	14.1
57.03441	7.4
65.03945	2.8
67.05512	37.7
69.07071	9.9
71.04974	1.4
73.04749	1.4
79.05498	35.2
80.05794	1.1
81.03418	5.6
81.07066	30.4
83.04988	1.7
83.08622	5.6
85.06556	2.2
85.25703	1.3
91.05474	28.0
93.07051	29.6
95.01340	29.7
95.04967	8.5
95.08617	27.4
97.06518	2.8
97.10175	4.7
103.05463	1.6
105.04536	1.8
105.07043	16.5
106.18608	1.1
107.04993	6.0
107.08598	14.2
107.30697	1.1
109.06519	2.7
109.10162	10.6
111.08089	1.8
115.05476	1.9
115.47426	1.2
117.07019	9.2
119.04969	5.1
119.08588	10.0
121.06542	2.7
121.10142	10.6
123.04444	4.8
123.08073	2.1
123.11726	4.1
125.09653	3.4
128.06241	2.3
129.07033	6.1
131.04941	2.6
131.08600	11.2
133.06493	3.9
133.10103	7.9
135.04424	2.2
135.07976	1.5
135.11716	5.3
137.09674	1.7
141.06987	3.7
143.08609	2.9
145.06496	4.7
145.10143	7.0
147.04420	100.0
147.08092	2.3
147.11705	5.2
149.06018	2.2
149.09608	1.7
149.13272	3.1
151.11201	1.1
153.06987	2.1
155.08554	2.9
157.06511	3.2
157.10172	2.7
159.08096	2.4
159.11696	5.1
161.06006	6.9
161.13280	2.6
163.11176	1.9
167.08476	1.8
169.06482	1.7
169.10167	3.4
171.04367	2.0
171.08067	2.0
171.11729	2.2
173.05995	3.1
173.13313	2.1
175.07625	1.3
181.06487	1.6
181.10127	1.8
185.06094	1.9
185.13304	2.0
187.11166	1.9
187.14899	1.4
195.08023	1.4
195.11603	1.8
197.09570	1.9
199.11226	1.8
213.12810	2.2
229.45886	1.6
241.12241	1.7
243.21065	1.8
249.14854	2.5
259.13321	88.2
261.22247	4.5
275.20227	1.8
277.14392	3.9
287.05652	1.8
289.14319	5.7
297.14920	2.3
315.15872	7.9
333.17007	18.6
335.25821	35.5
339.19760	1.6
341.39047	1.4
355.07184	2.1
356.07349	2.0
421.23813	2.7
465.22916	4.5
476.93814	1.5
487.26593	1.6
501.32864	1.3
519.35150	2.9
567.29926	2.8
593.38251	8.0
611.28326	14.8
611.39227	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
69.03437	1.0
69.34926	4.1
79.05489	1.2
81.03419	1.1
81.07042	0.9
83.60095	0.5
85.02921	0.9
91.05490	1.7
93.07052	0.9
95.04960	0.8
95.08627	0.9
97.02890	0.5
105.07027	1.1
107.04943	1.1
115.05479	0.8
117.07064	0.8
119.04954	1.6
119.08604	0.9
121.02902	0.7
123.04491	1.4
131.04890	0.7
137.06012	2.7
145.02872	1.0
145.06503	1.0
147.04431	3.7
149.05927	0.7
151.03934	1.4
151.07547	0.8
153.01843	0.7
161.05998	1.3
163.03934	4.8
165.05510	0.9
167.07027	5.4
171.11960	0.6
173.05963	1.3
175.03967	0.7
175.07597	0.9
177.05460	1.3
181.04959	5.7
189.05247	27.7
191.07118	0.7
201.05467	0.9
203.06828	9.5
204.07651	1.8
205.08514	0.8
207.06461	0.7
216.07628	1.9
217.08397	8.1
231.06277	0.6
233.08015	1.9
265.31659	0.6
287.05573	6.2
299.05569	1.6
303.05206	1.3
369.12778	0.7
385.12766	0.6
387.14349	0.7
399.14285	3.2
413.15732	4.2
414.16583	7.8
415.17706	0.7
527.69189	0.6
576.64813	0.6
611.24646	100.0
612.25085	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	611.1617
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03935	0.3
55.01859	0.2
55.31349	0.1
57.03439	0.4
61.02931	0.9
68.99801	0.3
69.03432	0.9
70.43600	0.4
71.04988	0.4
73.02905	0.3
76.75665	0.2
81.03421	0.6
85.02910	3.8
91.03941	0.6
97.02898	1.4
98.97565	0.2
99.04450	0.2
101.00089	0.1
101.00819	0.2
105.03402	0.2
109.02889	0.5
111.00797	0.4
119.01904	0.3
121.02867	1.3
127.03929	1.3
129.05423	0.2
133.02837	0.4
137.02357	1.3
139.00960	0.2
143.01939	0.3
145.00655	0.2
145.04956	0.7
145.06444	0.2
147.04425	0.7
148.44870	0.2
153.01865	1.9
158.99611	0.2
160.01364	0.2
161.03085	0.2
163.03938	0.3
163.29684	0.2
164.23956	0.2
165.01845	1.0
181.01813	0.2
183.02924	0.5
185.02977	0.3
185.05952	0.4
189.05435	0.3
192.05586	0.2
202.02278	0.2
211.02827	0.2
213.05450	1.2
231.06558	0.5
232.03496	0.3
241.04961	0.7
245.05090	0.6
247.04936	0.4
258.05234	0.5
259.06039	0.3
268.94891	0.2
268.98193	0.3
269.04535	0.3
272.06421	0.2
281.07080	0.2
287.05515	100.0
288.05872	1.2
292.05389	0.2
303.04980	1.5
307.65311	0.2
329.05902	0.4
426.11127	0.2
449.10843	7.6
465.10239	0.3
611.16187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.8
57.03433	0.2
61.02927	0.6
66.57497	0.2
68.99774	0.3
69.03448	1.0
71.48451	0.3
73.02909	0.4
81.03417	0.6
83.57417	0.2
85.02911	2.8
87.04444	0.2
97.02898	1.2
98.97582	1.7
101.00866	0.2
103.00646	0.2
109.02893	0.6
110.97586	0.5
111.00796	0.3
116.98638	0.7
119.01945	0.4
119.04988	0.3
121.02885	0.6
123.04417	0.3
127.03919	0.9
128.98651	0.3
129.06944	0.2
131.01906	0.3
132.96623	0.2
135.04436	0.3
137.02330	1.2
137.05995	0.6
143.01892	0.3
145.04968	0.6
145.06404	0.2
147.04422	0.9
149.02376	0.3
151.03993	0.2
153.01869	2.1
154.02129	0.3
155.01923	0.2
157.06367	0.2
158.99655	0.7
161.02924	0.4
163.03860	0.9
165.01872	0.3
177.00681	0.4
179.07037	0.2
183.02960	0.2
185.03003	0.3
185.06052	0.3
187.02689	0.2
189.00665	0.3
189.05576	0.3
191.03935	0.4
196.02332	0.2
197.02991	0.3
213.05580	1.5
217.05278	0.2
219.01865	0.7
231.06517	0.5
237.02832	0.8
241.05061	0.6
242.05632	0.2
245.04941	0.4
247.04929	0.8
258.05280	0.2
261.02756	0.5
269.04446	0.4
277.03323	0.3
280.07278	0.2
281.06964	0.9
287.05524	100.0
288.05841	1.4
303.01804	0.4
303.05038	1.0
329.05521	1.1
399.10968	0.2
413.05392	0.4
415.09195	0.3
449.10876	9.6
611.15540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Rhodiosin
Peak:m/z	Relative Intensity
57.03447	2.2
61.02925	0.9
64.83524	0.5
68.99798	0.9
69.03429	2.7
71.04613	0.6
71.04999	10.7
71.49346	0.7
73.02933	0.5
75.04483	0.5
76.02218	0.6
81.03419	1.7
81.60148	0.5
83.04989	0.5
85.02914	18.4
87.04465	0.6
97.02926	2.3
107.05019	0.5
109.02901	0.9
111.00773	1.2
111.04469	0.6
112.12857	0.5
116.27699	0.5
121.02892	1.3
127.03917	1.7
129.05490	4.0
133.02779	0.5
137.02362	2.7
145.04974	1.4
147.04449	1.1
147.06520	1.2
149.02341	0.6
153.01837	4.6
161.05991	0.5
163.03900	1.0
165.01869	2.1
183.02910	0.6
201.05489	1.1
213.05521	1.2
229.04990	3.2
247.06007	0.5
257.04434	1.5
274.04721	0.8
285.03922	1.5
287.05527	52.0
303.05017	100.0
304.05325	1.0
315.04718	0.6
345.06064	1.0
374.03033	0.5
449.10867	6.7
465.10248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1614
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03921	0.4
57.03452	1.8
61.02922	0.4
68.27254	0.3
68.99786	0.5
69.03432	1.0
70.80908	0.8
71.05003	10.9
73.02916	0.4
75.04474	0.4
81.03419	0.9
83.04980	0.4
85.02914	16.4
95.05022	0.4
97.02894	1.3
99.04441	0.4
109.02908	0.7
111.00797	1.1
121.02872	0.8
122.55939	0.3
127.03909	1.0
129.05507	3.8
135.04465	0.4
137.02356	2.9
145.04955	1.3
147.04475	0.4
147.06506	0.9
149.02332	0.3
153.01854	3.2
155.04849	0.3
161.06017	0.5
163.03935	1.1
165.01878	1.8
173.05994	0.5
183.02989	0.6
201.05508	1.5
213.05554	0.7
219.02852	0.3
229.04974	3.7
247.06029	0.5
257.04407	2.2
274.04895	0.4
285.03989	1.0
287.05533	27.5
288.05948	0.4
303.05020	100.0
304.05426	1.4
345.06299	0.3
465.09882	0.5
594.66583	0.4
611.13837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03941	0.3
56.60863	0.2
57.03427	0.8
61.02912	0.9
68.99804	0.5
69.03427	1.8
69.43607	1.1
69.44032	0.7
71.05007	1.4
81.03410	1.0
85.02442	0.4
85.02912	6.1
87.04459	0.3
91.03974	0.4
97.02899	2.3
98.20796	0.5
106.76320	0.2
107.04935	0.4
109.02862	0.4
111.00806	0.9
121.02871	2.2
127.03943	1.2
133.02898	0.4
137.02371	0.7
141.65378	0.2
145.04955	0.9
147.04546	0.3
153.01842	3.3
157.06523	0.3
165.01846	1.3
171.84364	0.2
183.02910	0.6
185.05988	0.3
197.05954	0.3
213.05518	1.1
229.04961	0.3
231.06441	0.3
241.04991	0.8
258.05289	0.7
259.05978	0.4
287.05524	100.0
288.05917	1.2
303.05029	5.9
329.06525	0.3
366.94846	0.2
449.10806	6.1
465.10330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
61.02664	0.3
61.02938	4.0
65.03943	0.2
69.03429	0.7
70.94464	0.6
73.02907	1.0
81.03418	0.3
85.02919	3.1
91.03962	1.6
92.93878	0.2
97.02899	1.8
105.03358	0.3
105.95290	0.2
107.04929	0.2
109.02814	0.4
109.39651	0.2
111.00826	0.7
121.02884	2.4
122.82484	0.2
127.03917	0.6
133.02835	0.3
137.02356	0.4
145.04961	0.5
147.04428	0.6
153.01859	2.8
158.31758	0.2
165.01857	1.5
183.02948	0.6
183.30981	0.2
185.05974	0.3
189.05568	0.3
213.05510	1.0
231.06474	0.6
241.05057	0.6
258.05301	0.8
269.62128	0.3
287.05536	100.0
288.05911	1.7
321.48166	0.2
449.10889	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	611.1398
Annotation	56343-26-1
Peak:m/z	Relative Intensity
52.91122	0.4
60.67226	0.3
61.27082	0.4
65.03945	0.9
69.39649	3.1
87.01907	0.4
91.05483	9.9
95.04967	0.5
102.13150	0.4
111.00809	0.6
118.45577	0.4
119.04952	24.2
121.02843	0.6
135.04369	0.6
137.02341	1.8
147.04417	100.0
148.04749	0.6
153.01846	1.8
162.76561	0.4
163.03918	2.6
165.01834	0.9
165.05568	0.5
183.03014	0.5
201.05515	0.9
229.04941	1.9
238.16017	0.4
247.05753	0.5
257.04401	1.0
285.03943	0.7
287.05569	1.8
291.08710	0.9
303.05008	39.6
304.05231	0.5
309.09686	4.0
326.80908	0.4
426.91611	0.4
439.81235	0.4
611.23877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03951	0.7
55.01859	0.6
57.03433	1.1
61.02919	2.0
65.03942	0.5
67.05510	0.7
69.03431	3.5
71.04971	0.7
71.49808	1.0
72.56549	0.5
73.02915	0.6
79.05468	0.6
81.03413	2.0
85.02912	14.8
91.03954	0.7
91.05470	0.8
97.02904	4.7
99.04441	1.1
107.04945	0.5
109.02891	1.5
111.00840	0.7
119.04930	1.8
121.02859	3.0
127.03935	3.2
135.04465	1.1
137.02367	1.5
137.05894	0.6
145.04951	3.3
147.04431	7.5
153.01842	3.9
153.76759	0.4
163.03911	3.4
163.05983	0.6
165.01877	1.0
177.05524	0.7
182.33623	0.5
183.02870	0.8
213.05429	1.2
231.06520	0.6
241.04863	0.6
243.06564	0.5
258.05276	1.0
269.04514	0.5
286.04904	0.5
287.05521	100.0
288.05859	1.4
299.05554	1.9
303.05057	4.4
329.06635	1.4
353.06393	0.8
361.02283	1.4
395.07657	0.7
417.19244	0.6
449.10867	1.8
566.85706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.9
53.03947	9.0
55.01868	2.6
55.05518	15.4
57.03436	1.9
65.03938	3.1
67.05508	34.3
68.62321	1.6
69.03438	10.4
69.07078	16.7
69.81040	8.3
71.05003	2.9
72.29204	1.6
73.04739	2.1
77.03912	2.1
79.05499	39.5
81.03430	12.7
81.07056	34.2
82.07382	2.9
83.04973	2.8
83.08630	6.6
85.02923	5.5
88.82128	1.7
91.05476	46.8
92.05795	1.9
93.07051	100.0
94.07378	2.5
95.04979	8.9
95.08605	27.8
97.02906	5.9
97.06525	5.7
97.10146	2.1
99.04473	2.1
105.04552	2.1
105.07038	26.4
107.04956	2.6
107.08604	99.7
108.08907	1.5
109.02875	4.2
109.06503	4.5
109.10161	15.1
111.04478	2.1
117.07038	10.8
119.06075	2.2
119.08590	13.0
120.08888	1.7
121.06493	1.9
121.10156	13.5
123.08082	2.1
123.11721	6.0
125.09658	1.7
127.03873	3.1
129.06996	4.8
131.08595	13.5
132.08879	1.8
133.10165	12.3
135.08003	1.9
135.11700	49.3
143.08582	5.3
145.10135	15.1
146.10458	1.7
147.08008	2.4
147.11699	6.4
149.09668	1.9
149.13274	4.8
153.12836	1.7
155.08572	3.5
157.10117	5.7
159.11703	9.9
161.13289	5.7
168.98795	1.6
169.10185	2.6
171.11703	3.5
172.12238	2.0
173.13292	5.1
173.51810	1.4
183.11714	2.2
185.13217	3.3
187.14847	4.5
197.13365	3.6
199.14870	1.9
201.16451	1.9
243.21202	2.5
259.20590	3.0
261.22125	3.3
275.20126	5.5
276.20370	4.4
285.01053	3.2
289.21530	1.5
294.21515	2.1
319.22928	1.7
355.07010	3.5
369.24213	4.7
387.25290	3.8
405.26279	4.4
438.85361	1.9
472.61044	1.9
477.21927	2.2
485.39145	1.7
610.27203	9.1
610.45557	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	3.8
53.03944	10.0
55.01870	7.3
55.05516	27.7
57.03440	13.7
57.07074	7.8
64.04990	2.3
65.03936	6.7
67.05511	69.4
69.07078	24.4
71.05008	3.4
71.08629	5.4
71.50446	3.9
72.66417	2.8
74.11969	2.3
74.89256	2.2
77.03920	2.7
79.05502	88.2
81.03407	6.2
81.07064	68.0
83.04978	12.3
83.08634	13.3
85.06559	4.7
91.05489	78.0
91.18085	2.1
93.07052	77.7
95.01324	2.8
95.04989	10.6
95.08613	39.8
97.06541	10.3
97.10188	8.3
103.05449	3.4
105.07040	56.5
107.04980	11.6
107.08604	39.6
109.06518	7.3
109.10180	19.6
111.08089	3.3
115.05444	3.2
117.07018	24.7
119.08585	30.5
121.06544	3.6
121.10146	26.0
123.08054	3.5
123.11725	3.2
125.09674	2.9
128.06213	3.2
129.07048	6.8
131.08577	30.7
133.10155	29.3
135.08084	4.0
135.11699	10.8
137.09619	4.0
141.06979	3.8
143.08566	6.0
145.10144	23.8
147.11761	10.7
149.09634	8.5
149.13284	6.9
157.10069	3.1
159.11714	9.3
161.13249	4.5
165.09187	2.1
173.13297	5.9
175.14851	3.4
179.14345	3.0
185.13269	3.3
201.16420	3.2
203.14374	3.4
209.15373	3.2
215.18095	2.6
219.17464	100.0
229.19505	2.9
247.97099	2.3
257.19031	7.0
261.21933	2.8
273.18271	2.3
275.20084	47.8
293.21191	3.9
310.31097	2.9
349.23798	3.5
373.65558	2.6
411.75351	3.0
435.24673	4.1
447.20737	4.4
461.23215	3.7
462.23148	3.9
463.23776	5.0
497.42010	9.0
549.27521	10.3
592.30023	3.0
609.29871	44.0
609.45001	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
53.26075	0.5
55.01868	0.7
55.05515	15.0
57.03438	4.1
57.07072	1.8
58.99413	0.6
64.25797	0.5
65.03941	2.4
67.05509	25.7
69.07072	13.2
69.24687	5.1
69.59768	0.5
71.05004	1.1
71.08635	0.9
79.05497	17.8
81.07059	25.9
83.04987	1.9
83.08616	8.0
85.06557	1.2
89.69256	0.5
91.05485	17.5
91.06032	1.2
93.07050	19.9
95.04963	2.4
95.08613	20.9
97.06535	2.6
97.10181	4.2
99.08135	0.6
103.05494	0.6
105.04530	0.7
105.07034	16.3
107.04941	0.9
107.08598	12.8
109.10150	7.8
111.08083	1.3
115.05447	1.6
117.07028	10.0
119.08591	14.6
121.10131	8.9
121.10945	0.9
123.08091	0.9
123.11717	2.4
125.09641	1.5
128.06180	2.9
129.07004	11.2
129.58353	0.5
130.07788	0.9
130.28267	0.5
131.08569	15.0
133.10129	10.8
135.11708	5.4
137.13234	1.4
141.06964	4.9
142.07780	3.3
143.08563	13.8
145.10135	16.5
147.11696	6.2
149.09598	1.4
149.13260	2.1
153.07005	1.4
154.07831	1.5
155.08560	11.8
156.09361	1.7
157.10139	13.7
158.10881	0.6
159.11708	12.3
161.13255	3.8
163.14827	0.7
165.06927	0.8
166.07729	0.9
167.08592	6.2
168.09358	1.7
169.10136	16.7
169.11584	0.8
170.10786	0.8
171.11693	12.4
173.13246	6.9
175.14856	2.1
178.40945	0.6
179.08578	2.6
180.09302	1.3
181.10124	8.6
182.10982	1.2
183.10074	0.8
183.11707	14.8
183.13261	1.0
185.13275	10.6
187.14842	3.8
189.16415	1.4
193.10149	2.4
194.10976	0.8
195.11710	9.7
196.12453	1.1
197.13280	10.3
199.13208	0.9
199.14822	7.1
201.16434	1.8
203.18021	1.1
207.11787	3.3
209.13280	8.3
211.14854	7.5
213.16466	4.0
215.17981	1.2
219.11716	1.2
219.17555	0.7
221.13280	3.5
222.14061	0.9
223.14806	6.8
225.16440	4.2
227.18007	2.2
233.13379	1.1
235.14917	1.9
237.16322	4.0
239.18002	4.3
241.19595	1.7
249.16379	1.1
251.18024	2.8
253.19614	1.6
255.21193	0.6
257.19080	2.4
261.16617	0.8
263.18073	1.0
265.19543	1.5
267.21078	0.9
271.20703	0.9
275.20200	3.6
279.21121	1.2
281.19104	0.5
281.22742	0.6
283.20419	0.9
285.22107	1.2
293.22372	0.7
295.20541	0.8
297.21985	1.1
299.23907	0.7
305.22559	0.6
307.20526	0.6
309.18365	0.7
309.22021	1.0
311.20264	0.8
311.23682	1.2
313.25702	0.6
319.24310	0.8
321.22083	1.0
323.23807	1.6
325.21576	0.8
327.23376	0.7
331.22876	0.7
335.23526	0.8
337.25308	2.1
339.23080	1.1
339.26791	1.1
349.25378	1.2
351.27011	1.8
353.24844	0.9
357.24124	0.8
361.25299	0.8
363.26636	0.8
365.28625	1.1
369.27728	0.7
377.28430	1.0
379.30145	1.3
381.28146	0.9
389.28305	0.6
391.30167	1.3
393.31766	1.6
395.29492	0.8
405.31824	0.8
407.29099	1.5
409.30969	0.6
429.31302	0.8
434.20227	0.6
435.32434	0.8
447.32339	1.3
449.22458	0.6
449.34509	0.9
461.34390	1.0
489.41357	0.7
499.39975	2.6
517.40448	14.7
521.24231	0.6
521.36469	1.0
525.36102	0.9
535.41687	7.0
539.37341	1.5
540.37567	0.6
549.24432	0.9
553.41931	0.8
555.41949	0.7
573.43036	2.0
591.44086	13.1
609.27826	7.8
609.45148	100.0
610.45612	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
54.28416	0.7
55.01862	1.5
55.05511	16.4
57.03430	3.4
57.07073	1.7
65.03934	1.8
67.05505	24.5
67.15128	0.7
69.07072	13.0
70.70311	1.9
71.04986	1.0
71.08617	0.8
72.83900	0.9
73.76842	0.8
75.04488	0.9
79.05496	18.7
81.07059	27.3
83.04993	1.4
83.08641	6.2
85.06528	1.8
91.05470	14.3
91.05947	1.1
93.07044	21.3
95.04993	0.9
95.08609	19.4
95.09185	1.3
97.06540	1.4
97.10173	4.9
98.49183	0.9
99.08056	0.8
103.05459	0.9
105.06329	1.1
105.07034	16.7
107.08598	13.6
109.06496	1.3
109.09461	1.4
109.10155	10.6
111.08047	1.3
111.11745	1.3
115.05476	1.7
117.07014	9.5
119.08582	15.3
121.10162	8.4
123.08075	1.6
123.11737	1.6
125.09631	1.5
128.06227	3.4
129.07005	11.7
131.08571	13.9
131.42393	0.7
132.72751	0.8
133.10130	11.8
135.11713	5.5
137.13255	0.9
141.07001	6.5
142.07774	3.4
143.08580	14.7
144.09314	1.0
145.10138	16.1
147.11710	5.2
149.13239	1.7
153.06999	2.6
154.07808	1.2
155.08583	12.7
156.09419	1.1
157.10124	15.1
159.11705	11.4
161.13216	4.5
165.07001	1.4
166.07803	1.0
167.08559	6.1
168.09370	1.3
169.10149	18.9
170.11053	0.9
171.11687	14.6
173.13277	6.3
175.11133	0.9
175.14854	2.0
179.08640	2.7
180.09360	1.7
181.10135	9.9
182.10880	1.5
183.11710	16.6
185.13243	10.7
187.14812	3.7
189.16367	1.5
193.10176	4.5
194.10841	1.3
195.11670	10.1
196.12459	1.8
197.13264	13.1
199.14810	7.6
201.16406	1.9
205.10101	0.8
207.11685	3.8
209.13266	9.3
210.14093	1.2
211.11392	0.9
211.14822	8.9
213.16425	4.6
215.18036	1.7
219.11771	1.6
219.17297	0.8
221.13260	4.0
223.14830	5.7
223.16710	0.7
225.16437	5.7
227.18068	4.1
233.13312	1.4
235.14777	2.4
237.16402	3.7
239.18013	3.2
241.19757	1.3
247.14717	1.8
249.16527	1.1
251.18037	3.2
253.19711	1.5
257.19156	1.1
263.17984	1.6
265.19635	2.4
267.17816	0.8
267.21057	1.1
277.19638	1.0
279.21094	1.4
281.19156	1.3
291.21069	1.2
307.20688	1.3
309.22174	1.1
311.23636	0.9
313.21893	0.8
321.21976	1.0
323.23688	1.2
325.25058	0.9
337.21484	1.0
337.25320	2.1
339.23242	1.6
349.25333	1.8
351.26935	1.7
353.24680	1.1
361.25308	1.1
365.28571	2.3
367.26468	1.1
377.28452	1.1
379.30093	1.9
381.27820	1.3
391.30261	1.2
409.30865	1.0
421.30862	0.9
435.32816	1.0
447.32587	1.2
449.34247	1.3
473.32251	0.8
475.36188	1.2
499.39474	2.3
517.40521	17.1
535.41699	6.8
539.37109	1.4
553.42334	1.5
555.41650	1.4
573.43207	2.5
591.44086	14.3
609.27277	3.4
609.45172	100.0
610.45416	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	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
61.31873	0.6
61.99989	0.7
62.96419	0.5
67.05505	1.1
69.16663	5.8
79.05500	1.8
81.07059	1.3
91.05489	0.8
93.07053	1.3
98.20803	1.4
105.07038	0.9
107.08626	1.1
113.80122	0.6
117.07041	1.0
127.81067	0.6
133.10112	0.8
145.10135	1.7
215.47293	0.6
248.56619	0.8
275.20084	1.0
330.07245	0.7
377.17679	1.1
389.18427	1.7
391.19296	2.1
392.19946	1.1
401.18256	1.1
403.19516	1.4
404.20175	1.3
405.21072	3.9
406.21616	2.0
407.22214	3.0
415.19321	2.8
417.21506	1.1
418.21783	0.7
419.18137	0.9
419.22821	1.2
420.23419	0.9
421.23953	4.9
422.24805	1.0
427.19244	1.2
429.20868	2.9
430.21600	2.0
431.18311	0.9
433.20203	2.3
433.25107	1.1
435.21793	0.8
443.22702	1.4
444.23251	1.5
445.20770	0.8
447.18219	2.7
448.18945	1.1
449.23724	1.4
457.24744	3.1
459.21515	3.4
460.22794	1.2
461.19089	6.9
462.20526	2.1
463.21371	2.4
472.23099	0.9
474.20169	0.8
475.21133	7.9
476.21948	7.7
477.22455	5.2
478.23279	0.8
479.24207	0.8
485.23630	10.4
486.20554	4.3
487.25909	0.9
488.22076	1.4
489.23007	6.0
497.23801	0.8
499.21082	2.9
500.22205	1.8
502.23514	0.9
503.24750	5.9
504.25589	0.8
513.22675	1.8
515.24469	7.9
517.22577	1.1
519.24164	0.8
521.26147	3.4
531.23914	18.3
535.23529	1.3
549.25275	3.0
550.25793	5.5
559.23523	9.0
577.24823	0.8
591.26086	35.4
609.27094	100.0
610.27271	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	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03941	0.5
55.01863	0.4
55.05517	1.7
57.03444	0.4
57.07084	0.4
63.84040	0.2
65.03944	0.6
67.05511	4.3
69.07073	1.7
71.04988	0.2
73.43377	0.2
75.75805	0.3
79.05495	5.0
79.61392	0.3
81.07059	4.2
83.08624	0.9
85.83804	0.2
91.05478	3.4
93.07048	4.2
95.04981	0.6
95.08611	3.1
97.06549	0.4
105.07039	3.6
107.04955	0.4
107.08604	2.3
109.06528	0.5
109.10178	1.1
109.72849	0.2
117.07018	1.4
119.08577	2.2
121.10165	1.9
123.11742	0.5
125.09640	0.4
129.07001	0.7
131.08597	1.7
133.10127	2.2
135.11716	1.0
143.08525	0.7
143.85864	0.2
145.10129	2.2
147.11748	1.3
149.09605	0.4
149.13365	0.3
155.08641	0.6
157.10184	0.8
159.11711	1.7
161.13268	0.7
163.11218	0.3
169.10089	0.4
171.11726	0.6
173.13274	0.6
183.09258	0.3
183.11716	0.8
185.13339	0.6
194.38210	0.2
197.13257	0.3
199.14906	0.3
202.33913	0.3
211.14906	0.4
216.14487	0.3
219.17589	0.4
239.17990	0.4
257.19119	1.3
275.20020	3.5
331.22745	0.4
335.25797	0.5
349.23831	0.3
362.15164	0.3
363.16290	0.6
375.15936	0.6
376.16898	1.1
377.17776	2.1
378.18570	0.8
379.19409	0.7
389.17914	0.5
390.18628	1.0
391.15515	0.5
391.19476	3.1
392.20227	1.2
393.20795	1.6
403.19434	0.4
404.16367	1.0
404.20798	0.4
405.16376	3.3
405.21014	1.7
406.17462	1.5
407.22537	5.1
408.23175	0.5
417.16522	0.3
418.17233	1.2
419.18335	5.7
420.19241	2.7
421.20175	2.7
431.18964	0.4
432.19833	0.6
433.16159	2.4
433.21243	4.8
434.21222	4.8
435.21860	11.7
436.22568	0.8
445.20834	0.3
447.18237	3.0
447.22760	1.4
448.19031	1.0
448.23947	0.4
449.19614	2.2
451.21494	0.6
461.19754	2.3
462.20447	8.2
463.21292	6.6
475.21533	3.1
476.22214	1.0
477.22668	0.3
479.20111	1.2
489.22992	1.8
490.23270	0.5
491.20926	0.6
492.21344	0.3
493.22433	0.8
493.26154	0.4
494.23334	0.6
505.22241	0.3
506.23334	0.6
507.19870	1.2
508.24545	0.4
514.12744	0.3
517.22327	0.4
517.40265	0.4
520.21008	0.5
521.25653	10.3
534.22961	0.9
549.25006	29.8
550.25403	0.6
577.24347	0.6
581.27631	2.0
591.25818	0.3
591.44153	0.5
609.27081	100.0
609.44989	7.1
610.27527	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01851	0.5
55.05507	1.1
57.07051	0.4
57.09038	0.3
58.49973	0.3
60.60461	0.3
63.07731	0.3
67.05510	3.2
69.07060	1.1
71.00508	0.6
71.08638	0.4
79.05496	2.8
81.07050	2.9
83.08641	0.3
91.05492	2.1
93.07045	2.8
95.08627	1.9
97.06516	0.5
105.07027	2.3
107.08606	1.7
109.10162	1.3
117.07024	0.9
119.08585	1.6
121.10167	0.8
129.07056	0.4
131.08572	1.3
133.10135	1.3
135.11699	0.3
143.08545	0.4
145.10117	1.3
147.11699	0.6
155.08458	0.4
157.10121	0.3
159.11768	1.1
169.10191	0.5
171.11639	0.4
173.13232	0.5
197.13249	0.3
200.71283	0.3
239.17805	0.3
249.13872	0.3
257.19116	0.8
274.59341	0.3
275.20154	1.4
288.35065	0.3
372.20935	0.4
390.18744	0.4
391.19199	0.6
401.17740	0.4
403.19568	0.7
405.20865	1.0
406.21936	0.4
414.18558	0.5
415.19083	1.0
416.20187	0.7
417.21143	0.4
418.17447	0.6
419.17609	0.4
419.22318	1.2
428.20352	0.5
429.21011	2.7
430.21960	0.7
431.18677	1.4
432.19702	0.7
433.24979	1.8
434.21057	0.7
435.21811	0.9
443.22656	1.5
444.23843	1.8
445.20282	1.1
446.25363	0.5
447.22852	2.3
449.23438	1.3
457.20255	0.4
458.24521	1.1
459.21426	4.4
460.22760	2.7
461.19162	1.7
461.23596	2.5
462.19769	1.7
463.21265	0.6
468.37750	0.7
471.21524	0.5
472.22757	2.1
473.23282	1.3
474.24246	1.0
475.20230	0.7
475.25946	0.9
476.22021	2.4
477.22879	2.4
485.23358	1.1
487.25070	3.8
489.23022	1.8
490.23718	0.7
492.25070	0.6
503.24936	2.2
505.18887	0.4
507.24213	0.7
516.22180	0.4
519.23926	2.6
521.21448	2.9
531.23962	20.2
532.24738	1.2
534.22980	0.6
549.25000	11.9
550.25409	0.6
563.26288	0.7
580.23767	0.4
591.26068	3.0
609.27063	100.0
609.44714	4.4
610.27271	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.01867	0.4
55.05505	0.7
55.43877	0.3
67.05507	2.1
69.07065	1.0
71.04949	0.3
79.05505	2.3
81.07065	2.4
83.08631	0.6
91.05483	2.2
93.06525	0.4
93.07047	2.2
95.04986	0.4
95.08601	1.3
97.06522	0.5
98.20649	0.3
105.07028	1.5
107.08598	1.1
109.10160	0.6
117.07028	0.5
119.08593	0.9
121.10195	0.4
129.06874	0.3
130.07820	0.3
131.08574	1.2
133.10130	0.9
135.11707	0.3
137.09732	0.3
143.08582	0.4
145.10146	1.1
146.91899	0.4
147.11716	0.7
149.13156	0.3
157.10226	0.3
159.11716	0.7
161.13258	0.3
173.13306	0.4
179.14273	0.3
197.13382	0.4
209.10803	0.3
211.12289	0.4
219.17537	0.4
222.11359	0.3
223.12308	0.4
224.13092	0.4
237.13783	0.4
238.14700	0.3
239.15569	0.4
241.63448	0.3
251.15311	0.3
257.19080	0.6
275.20102	1.7
329.62695	0.3
375.16754	0.4
376.17331	0.8
377.17609	1.1
378.18475	0.3
388.17969	0.3
389.18289	1.2
390.18829	0.9
391.19141	2.3
392.20203	1.2
393.21066	0.3
400.17169	0.5
401.17688	0.6
402.18268	0.6
403.19620	1.1
404.20520	1.3
405.20932	3.5
406.21512	2.0
407.22357	3.1
413.17398	0.5
414.18686	0.8
415.19498	1.6
417.16638	0.6
417.21503	0.6
418.22086	0.6
419.18649	1.4
419.22794	1.0
420.23404	0.7
421.24033	3.6
422.24716	0.8
427.19327	0.7
428.19888	0.5
429.21097	1.8
430.21790	1.1
431.18677	0.9
432.19522	1.2
433.20026	2.1
433.24896	0.6
443.22537	0.5
444.23172	0.9
445.20380	1.2
446.21225	0.5
447.18307	1.8
448.18942	1.1
449.23627	0.9
452.22214	0.4
456.19455	0.6
457.24728	1.4
458.25266	0.6
459.22031	1.9
460.23557	1.5
461.19052	5.0
462.20444	2.1
463.21216	1.7
464.22974	0.4
470.20938	0.9
471.18094	0.5
472.22821	0.8
473.19333	1.4
474.20569	1.3
475.21097	8.2
476.21899	6.4
477.22452	5.1
478.23804	0.6
479.24551	0.8
485.23618	5.5
486.20117	2.7
487.20355	0.5
487.25296	0.4
488.22284	1.0
489.23041	5.3
490.22949	0.3
493.21759	0.4
493.26974	0.5
494.26663	1.0
497.23364	1.1
499.21240	3.9
500.21979	1.6
503.24603	7.7
504.21365	0.8
504.24472	0.9
505.22388	0.7
507.23996	0.6
513.22900	1.2
515.24481	5.8
517.22131	2.0
518.23309	0.4
521.26196	3.0
531.23981	9.9
532.24847	0.4
533.25305	0.8
535.23096	0.7
541.22333	0.7
549.25177	2.1
550.25781	4.2
559.23517	4.7
560.23608	0.5
563.26770	1.5
577.24396	2.4
591.26038	14.3
592.26483	0.6
609.27075	100.0
609.44672	3.5
610.27667	2.5
611.82501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2711
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
55.05503	1.3
67.05510	3.3
69.07061	1.3
79.05503	2.7
81.07054	2.4
91.05467	2.1
91.44640	0.3
93.07051	2.5
95.04967	0.6
95.08611	2.0
97.06523	0.5
97.10168	0.4
98.20708	0.7
103.97471	0.3
105.07026	1.9
107.04945	0.6
107.08612	1.1
109.10201	0.7
109.17547	0.3
117.07037	0.7
119.08598	1.3
121.10168	1.2
129.07018	0.6
131.08592	0.9
133.10143	1.3
135.11722	0.5
143.08578	0.5
145.10150	1.3
147.11690	0.6
149.09645	0.5
149.13248	0.3
157.10098	0.6
163.11235	0.4
169.10193	0.6
171.11674	0.6
173.13274	0.6
183.11664	0.8
223.12744	0.3
224.30455	0.3
254.58810	0.3
257.19000	0.4
275.20157	1.8
293.21008	0.5
315.37543	0.3
387.16205	0.5
388.17093	0.3
389.17767	0.9
390.18771	0.5
391.19458	1.6
401.17679	1.0
402.18500	0.5
403.19467	1.4
405.16394	0.4
405.21103	1.9
407.22263	1.3
415.19254	1.0
416.20160	0.8
417.17154	1.4
417.21381	1.0
418.17599	0.8
418.22510	0.5
419.23148	2.8
420.23117	1.0
421.24365	0.4
429.16522	0.6
429.21436	0.7
430.17969	1.1
431.17984	2.3
431.23666	0.5
432.19003	1.0
432.23947	0.5
433.20239	6.9
433.25375	0.4
434.21024	0.9
435.21951	0.4
443.18665	1.1
444.19202	1.7
445.19751	3.3
446.21146	3.7
447.21887	4.3
448.22827	1.4
457.20282	0.7
458.20987	4.9
459.21719	4.1
460.22754	3.4
461.19394	0.7
462.20120	0.6
463.21030	2.2
465.22720	0.4
473.23376	0.8
475.21405	1.2
476.21890	1.1
477.22940	1.3
478.23633	0.5
479.24280	0.3
487.24765	0.5
489.19699	1.1
490.23886	0.6
491.20554	0.7
503.24448	0.6
505.22375	1.3
517.22046	0.7
517.40320	0.4
518.23071	2.8
519.23962	8.9
521.22443	1.0
521.25317	1.3
531.24054	1.6
532.24915	1.0
535.23468	0.6
549.24872	4.0
591.26038	9.6
609.27075	100.0
609.44775	4.1
610.27441	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
61.75887	0.6
67.05511	0.7
69.07045	0.7
71.49466	0.8
79.05475	0.6
81.03426	0.6
87.97261	0.6
91.05453	0.6
93.07055	1.2
97.02921	0.5
105.03444	0.6
107.08620	0.6
119.08538	0.5
133.10008	0.5
144.96684	0.5
147.04401	1.5
163.03932	1.1
167.07034	0.7
177.05635	0.8
180.72063	0.5
234.08749	0.6
246.87944	0.6
287.05515	0.7
354.10739	0.6
363.12106	1.0
367.11694	1.2
379.11490	1.8
382.13995	2.2
394.13928	2.1
397.12354	3.6
411.14374	0.8
412.14944	7.0
413.16013	1.1
429.30096	0.5
485.48669	0.7
579.22357	1.2
609.23102	100.0
610.23395	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	607.2911
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
52.66953	0.5
66.03086	0.5
67.74113	0.5
70.68667	0.6
70.69021	1.6
71.72598	0.5
85.38458	0.5
151.00259	0.5
178.36012	0.6
215.88647	0.5
226.36055	0.6
307.27554	0.5
376.18582	0.5
387.15753	0.6
388.16696	0.8
389.17770	1.9
401.17984	0.9
402.18637	1.5
403.19357	4.4
404.20102	1.6
405.20621	2.7
415.19720	1.0
416.20132	2.1
417.16010	1.1
417.21347	5.5
418.21710	3.2
419.22446	4.1
426.79672	0.6
429.21094	0.8
430.17441	1.0
430.22562	0.8
431.18152	9.8
432.18991	1.5
433.24069	11.3
434.24991	1.2
440.05167	0.6
443.18973	0.6
444.24069	0.9
445.19788	12.3
446.20853	6.3
447.21677	4.1
458.21103	1.0
459.21362	5.4
460.22565	13.2
461.23410	13.6
473.23465	3.9
474.24124	1.2
477.23062	1.0
487.24960	1.5
488.25552	1.3
492.25613	0.8
505.22549	2.0
506.26959	0.6
515.24390	1.0
519.27698	1.5
532.24213	0.9
533.25299	0.8
547.27069	46.6
575.26636	1.1
579.29663	0.8
607.29150	100.0
608.29834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17084	1.6
53.03964	10.4
55.01866	6.6
55.05279	2.1
55.05519	26.1
57.03442	8.4
57.07082	1.9
65.03947	4.9
67.05513	73.3
69.03437	22.1
69.07079	24.7
69.44769	9.6
71.05009	8.8
71.05360	1.8
73.02929	2.7
73.06541	2.4
77.03899	1.7
79.05498	54.4
81.03428	77.4
81.07063	100.0
83.04996	15.8
83.08621	15.0
85.02913	8.9
85.06544	6.3
91.05489	42.7
93.07053	63.9
93.07645	3.1
95.04979	11.4
95.08619	29.9
97.02905	13.6
97.06536	10.9
97.72845	1.7
99.04456	5.4
99.08146	3.8
105.07050	29.4
107.04956	5.9
107.08607	35.0
109.02872	14.1
109.06539	4.6
109.10160	6.6
111.04465	11.7
111.08102	6.0
115.05513	2.4
117.07038	16.8
119.08601	14.9
121.06509	4.5
121.10171	23.3
123.11726	6.5
127.03942	10.2
129.07022	5.9
131.04863	1.6
131.08578	18.9
133.06511	3.4
133.10121	15.7
135.08060	3.2
135.11658	11.1
137.09615	2.7
137.54787	1.7
139.11229	1.8
141.07018	2.5
143.08578	4.0
145.06499	1.9
145.10120	4.8
147.08115	3.7
147.11711	13.5
149.09608	2.8
149.13283	23.7
151.11212	3.8
155.08528	2.3
157.10146	2.6
159.08134	1.7
159.11751	14.4
165.12773	4.0
167.07121	1.9
169.10115	1.8
171.11765	1.9
173.04335	2.6
173.09563	2.2
173.13297	3.1
177.12801	6.8
179.69786	1.8
183.06656	1.9
183.11708	3.3
185.13309	2.0
195.13838	21.5
201.12807	2.2
213.14836	4.6
219.13843	2.1
229.14438	2.6
239.14241	1.8
267.16061	4.1
269.17514	11.4
285.17331	2.2
297.16925	2.1
303.16052	2.9
321.16907	4.4
339.18100	15.5
377.19870	2.7
395.20618	13.7
445.29675	5.6
458.74741	1.7
461.29407	2.5
463.30606	9.2
561.31177	5.4
589.33612	4.5
607.34802	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2911
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
63.14864	0.5
66.62161	0.4
69.16366	0.4
69.16729	3.9
69.17191	1.0
69.17504	0.5
69.37041	0.8
69.37339	0.8
69.37620	0.8
71.10621	0.4
78.68665	0.4
82.19238	0.5
98.20663	0.6
105.93626	0.5
116.49438	0.6
143.49649	0.5
162.78670	0.5
235.12433	0.7
373.08493	0.4
387.16351	0.5
388.16888	0.8
389.17749	1.6
402.18396	1.0
403.19131	4.8
404.19885	1.2
405.20856	1.8
415.19742	0.6
416.20221	1.1
417.16348	0.8
417.21408	5.2
418.21786	2.5
419.22354	4.7
430.18005	1.6
431.18185	10.6
431.23645	0.9
432.18845	2.5
433.24185	8.9
434.24597	1.4
444.23975	0.6
445.19919	13.0
446.20694	6.6
447.21738	5.4
449.23404	0.5
459.21600	5.9
460.22568	15.4
461.23404	15.0
473.23853	3.2
474.24350	1.0
487.25070	1.4
488.24771	0.7
491.20831	0.7
504.25464	0.7
505.21732	3.6
506.26678	0.8
515.24341	1.0
518.23547	0.6
519.24182	2.8
532.24884	0.6
533.25360	0.7
547.27081	30.8
548.27509	1.2
575.26477	1.0
579.29791	0.9
607.29169	100.0
608.29761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.255
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.95617	0.6
53.02935	0.7
69.17013	0.5
70.72167	1.2
70.72507	0.7
94.73785	0.5
99.68849	0.6
127.13152	0.5
133.95410	0.5
136.90741	0.6
138.89476	0.6
159.70552	0.5
166.52806	0.6
247.19261	0.6
375.15869	1.3
387.16666	0.6
388.16803	0.7
389.17758	2.2
390.18533	0.6
391.19409	1.0
401.18143	0.8
402.14142	0.7
403.19736	3.8
404.20078	1.3
405.20789	2.6
416.16034	1.2
417.16205	3.5
417.21432	1.9
418.17545	1.0
418.22577	0.8
419.22452	6.5
420.23074	1.0
430.17850	0.9
431.18384	7.2
432.19162	2.9
433.19901	2.9
445.20264	6.0
446.15393	0.9
446.21103	9.4
447.21707	9.8
447.26752	0.7
448.22565	0.7
459.17535	1.1
459.22748	1.1
461.19879	2.1
463.20914	0.8
473.24149	1.0
474.20441	6.6
475.21176	5.6
478.23669	0.8
487.21484	1.6
490.24249	0.7
491.20230	2.9
501.23212	1.0
504.21527	0.9
519.24091	18.3
547.23401	15.4
548.24237	0.8
551.26276	1.0
579.26056	6.8
607.25555	100.0
608.25684	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	607.2552
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
50.11645	0.3
51.01982	0.3
54.50375	0.3
55.05470	0.4
55.11820	0.3
67.05428	1.2
69.06979	0.8
79.05408	1.0
81.03371	0.3
81.07063	1.5
83.08560	0.3
85.10091	0.3
91.05373	0.9
93.06951	1.0
95.08519	1.2
105.06937	0.9
107.08518	0.5
109.10090	0.5
119.03606	0.3
119.08540	0.6
120.08113	0.3
122.40453	0.3
133.10048	0.7
135.11584	0.5
145.10013	0.4
147.11554	0.3
149.09584	0.4
150.55334	0.4
155.08537	0.3
159.11671	0.4
183.87546	0.3
187.03844	0.3
204.06665	0.3
219.17397	0.4
221.10664	0.6
273.18607	0.3
275.20041	0.5
285.07709	0.3
314.13028	0.3
314.27469	0.4
338.16544	0.4
362.16400	0.3
372.14859	0.4
373.14941	0.4
374.15387	0.9
375.16003	0.6
376.17422	0.3
377.17322	0.4
386.16003	0.5
387.16141	1.1
388.16745	1.5
389.17648	4.0
390.18527	1.5
391.19305	1.6
401.18100	1.4
402.13922	0.7
402.19061	1.7
403.15732	0.7
403.19461	5.9
404.20236	2.7
405.20792	3.6
413.17838	0.4
415.19397	1.0
416.15482	1.6
416.20801	0.6
417.16058	4.8
417.21039	3.1
418.17413	1.0
418.21625	1.3
419.22479	8.0
420.23016	0.8
429.16769	0.6
430.17825	1.3
431.18259	9.6
432.19193	3.7
433.20023	3.4
434.20468	0.4
443.18646	0.7
444.19568	0.9
445.20279	8.0
446.21008	7.2
447.21774	12.1
448.22348	0.6
456.19510	0.3
457.20203	0.4
459.17773	2.0
459.22330	1.6
460.19073	1.3
461.19348	2.1
462.24677	0.4
463.24808	1.4
473.19717	1.5
473.24490	0.5
474.20523	11.4
475.21207	12.6
476.21719	0.5
477.22836	0.7
478.23239	0.6
487.21310	2.9
488.21979	0.9
490.23419	1.3
491.20831	1.6
491.24173	1.0
501.22946	1.7
502.23282	0.4
504.21646	0.8
505.22342	1.0
518.23285	0.6
519.24078	13.0
529.22723	0.4
533.21765	0.4
547.23431	67.4
548.23828	2.7
561.25061	1.1
579.26086	4.7
589.24500	1.3
607.25531	100.0
608.25946	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52471	20.5
52.89824	20.4
55.05506	37.6
67.05524	44.9
79.05502	39.5
79.52004	19.0
81.07059	35.5
83.08629	21.7
93.07035	40.3
95.08620	33.5
98.21641	37.4
119.08536	22.2
121.10185	24.4
135.11754	22.2
145.10196	25.5
169.16930	23.8
221.49188	23.4
227.12788	100.0
236.03477	20.6
263.39032	22.6
283.15439	90.8
335.25879	66.6
543.36768	44.1
546.25671	24.1
571.70203	26.1
607.25745	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2153
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
70.67946	0.9
73.02907	0.3
75.71632	0.3
79.05470	0.4
81.03455	0.5
85.02873	0.4
91.05503	0.5
93.07051	0.4
95.08599	0.4
105.07042	0.6
107.04337	0.4
107.04984	0.7
107.08598	0.4
109.10179	0.4
122.10396	0.3
122.66767	0.4
131.08641	0.4
133.10176	0.4
137.05995	0.8
147.04440	1.6
147.11577	0.4
163.03955	0.3
167.07068	0.6
189.78839	0.3
299.09161	0.7
395.11032	3.5
410.13370	9.4
411.14215	0.4
607.21509	100.0
608.21844	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4056
Annotation	Cauloside A
Peak:m/z	Relative Intensity
53.03949	7.4
55.05510	14.4
55.67474	5.0
57.03435	7.0
57.07071	6.7
57.70154	4.0
61.02918	9.8
61.71778	4.2
62.00559	3.8
67.05497	18.9
69.03431	9.7
69.07062	18.2
70.68768	10.3
73.02921	60.9
79.05484	26.0
81.03419	8.4
81.07060	33.1
83.04978	4.6
83.08607	13.3
85.02901	12.6
86.09694	5.1
87.04477	8.0
89.43114	4.6
91.05477	18.2
91.58519	4.0
93.07069	37.0
95.08616	41.0
97.02856	8.1
97.06541	4.7
97.10204	4.4
99.08121	4.9
105.07040	27.3
107.08598	47.6
109.02849	4.7
109.10172	33.2
115.03939	11.5
117.07048	7.1
119.08555	35.2
121.10172	43.3
123.11703	11.7
129.07045	5.6
131.08582	22.9
133.10146	32.8
135.08075	6.2
135.11711	31.6
137.06010	11.3
137.13242	5.3
143.08598	11.7
145.10144	23.7
147.11697	24.9
149.13266	21.0
151.07523	7.1
155.08525	6.7
157.10153	17.6
159.11731	31.4
161.13275	19.8
163.03943	5.7
163.14856	24.8
169.10110	9.6
171.11716	19.1
173.13271	23.1
175.14810	12.1
177.16362	6.5
179.14288	16.3
183.11737	8.9
184.07404	9.6
185.07587	5.1
185.13271	18.3
187.14845	20.5
189.16389	19.5
191.17979	22.8
197.13240	8.1
199.14836	13.9
201.16414	17.9
201.25906	4.8
203.18036	9.2
205.12192	5.4
209.13275	5.1
210.69464	4.3
211.14827	5.8
215.17982	11.5
219.14014	4.4
219.17531	5.6
227.10609	5.3
227.17914	5.4
229.19545	12.2
241.19493	8.1
243.21069	7.3
245.18835	4.9
253.19473	9.9
255.21045	7.0
256.87225	4.3
269.22598	7.2
271.60300	4.3
299.20145	9.0
301.21622	6.1
315.23245	15.8
389.58115	4.5
391.33652	10.8
399.28778	6.5
409.34607	24.2
412.29556	6.7
413.30725	6.9
419.32928	5.5
427.35818	5.1
437.34320	51.9
455.35272	100.0
456.35413	5.5
456.49503	4.8
473.36197	11.3
605.25641	6.1
605.40192	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	605.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.2
55.05505	24.2
57.03426	13.5
57.07067	5.1
61.02922	18.7
67.05505	37.1
69.03417	19.5
69.07052	24.2
71.01339	7.0
71.04974	8.5
71.49755	11.4
71.69588	5.2
73.02520	7.1
73.02921	100.0
76.05553	5.0
79.05500	27.0
81.03407	19.7
81.07062	56.2
83.04979	7.9
83.08608	16.5
85.02882	12.5
85.06544	5.9
89.58374	5.9
91.05477	31.4
93.06574	6.1
93.07058	66.9
95.04957	9.2
95.08074	7.4
95.08616	88.9
97.02890	12.1
97.06520	6.3
97.10172	9.2
99.08093	12.7
105.07024	49.3
107.08598	93.4
109.10162	42.7
111.08104	6.9
115.03886	8.5
117.07017	11.0
119.07818	7.9
119.08588	76.5
121.10169	67.2
123.11706	16.0
125.05981	6.5
127.03957	6.1
128.42477	5.4
129.07037	7.9
131.08563	38.8
133.10149	56.8
135.08032	9.9
135.11688	50.0
137.05936	10.4
137.13234	6.1
139.11128	7.7
143.08560	7.2
145.06418	5.2
145.10155	47.3
147.07959	6.0
147.11699	44.9
149.13248	23.2
151.11322	5.1
157.10126	13.6
159.11682	48.5
161.09639	5.8
161.13271	28.1
163.14806	35.8
163.54228	5.7
170.10931	6.0
171.11664	19.0
173.04475	9.6
173.13268	26.0
175.14830	20.6
177.16374	9.7
179.14291	10.7
183.11618	12.0
185.13252	21.9
187.14883	31.5
189.16405	55.3
191.17961	85.8
197.13365	7.5
199.14839	15.5
201.16360	42.4
203.18001	17.5
205.15927	11.0
207.17574	6.9
211.14763	10.6
213.16356	9.4
215.17960	25.4
217.19521	7.1
219.17395	6.8
223.14877	7.4
225.16461	6.5
229.19478	10.8
241.19370	7.2
253.19522	7.7
255.21255	12.2
259.80258	5.5
271.20404	6.5
299.19989	6.8
301.21698	8.6
315.23251	11.1
339.21707	7.5
391.33572	18.2
409.34698	51.6
419.33435	9.2
427.35953	7.5
437.34360	47.1
443.27289	5.8
455.35318	95.6
473.36539	7.0
587.39856	26.8
605.32343	16.7
605.40216	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4051
Annotation	Cauloside A
Peak:m/z	Relative Intensity
50.72083	3.1
53.03944	6.5
55.05517	21.1
57.03428	7.1
57.07081	4.1
60.24567	3.4
61.02939	6.9
65.03965	5.0
67.05512	23.4
69.03428	9.5
69.07072	19.0
71.23625	7.1
73.02921	72.8
79.05501	25.5
79.08669	3.0
81.03423	11.0
81.07064	53.0
83.04963	6.4
83.08630	13.2
85.02927	11.6
90.99708	3.4
91.05470	21.9
93.07041	46.2
95.04968	9.2
95.08620	53.3
97.02928	5.2
97.06550	6.1
97.10178	6.2
98.97578	3.7
105.07044	29.8
107.08601	65.5
109.02878	4.4
109.10194	27.9
109.33925	4.3
113.09814	3.3
115.03918	8.7
116.97001	3.9
119.08588	35.5
121.06541	5.7
121.10146	57.5
123.11713	11.0
129.07039	5.8
131.08575	18.4
133.05008	5.2
133.06468	4.9
133.10165	32.0
135.11702	32.4
137.13261	6.8
143.08563	9.6
145.10139	27.3
147.11696	21.0
149.13203	18.7
151.14827	5.8
155.08612	5.2
156.09424	4.4
157.10172	20.4
159.08034	4.6
159.11678	33.1
161.13306	24.0
163.14862	22.6
165.12778	3.7
169.10181	8.9
171.11700	22.1
173.13280	32.5
175.14864	15.0
177.16399	7.8
179.14291	11.1
181.10222	4.5
183.11710	15.1
185.13280	22.6
187.14891	21.1
189.16403	15.1
195.11703	4.8
197.13411	6.6
199.14862	12.9
201.16345	5.1
203.17918	6.4
213.16418	9.5
215.17973	11.3
217.19426	4.2
227.18214	4.0
229.19621	9.6
239.17978	6.6
241.19516	5.1
243.20923	6.9
253.19559	10.4
255.21150	7.1
261.18512	3.9
267.21143	8.2
270.15100	3.8
295.52795	4.2
299.20145	11.9
301.21625	11.7
303.23203	4.9
315.23160	17.6
319.22720	5.1
333.24295	7.3
359.25812	5.8
381.27563	5.0
391.33398	13.4
399.28946	4.1
409.34601	26.4
412.29675	7.6
413.30450	4.0
427.35516	7.8
437.34198	42.9
455.35223	100.0
473.36484	12.1
605.32324	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	605.405
Annotation	Lasalocid D
Peak:m/z	Relative Intensity
55.01884	4.7
55.05504	18.3
67.05500	22.6
69.03429	8.0
69.07053	11.5
71.50187	6.8
73.02910	13.4
74.73817	4.5
79.05481	13.8
81.03400	14.5
81.07050	27.6
83.08613	8.2
85.02908	6.0
91.05508	23.5
93.07051	23.2
95.04963	7.6
95.08617	44.3
97.06528	5.2
99.08087	12.7
103.05496	4.7
105.07053	30.7
107.08609	31.9
109.10163	16.8
111.08087	5.0
115.05407	4.3
117.07017	7.4
119.08596	35.5
121.10144	29.3
123.11707	9.4
131.08575	16.8
133.10133	28.2
135.11696	33.6
145.10130	25.7
147.11696	22.3
149.13252	10.4
157.10124	8.7
159.11710	16.8
161.13235	12.9
163.14841	9.0
171.11700	4.9
173.13196	8.5
175.14862	8.3
185.13289	4.7
187.14821	14.4
189.16414	19.7
191.17957	100.0
201.16426	33.7
203.17889	13.9
205.95651	4.4
215.17868	5.7
217.19586	5.0
219.17551	6.6
225.11656	4.4
327.86154	5.1
342.47598	4.4
409.34677	17.3
427.36624	4.6
437.34277	8.5
455.35434	35.1
479.30072	8.4
597.60748	5.2
605.32916	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	605.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46812	0.3
55.01850	0.3
55.05511	0.5
57.07076	0.6
58.77385	0.3
67.05505	1.3
69.07064	1.1
71.08638	0.5
71.10686	0.5
79.05494	0.5
79.92712	0.3
81.07049	1.9
87.04472	0.4
91.05508	0.6
93.07060	0.6
95.08610	0.9
97.10184	0.4
105.07011	0.5
107.08591	0.4
109.10168	0.6
119.08608	0.4
120.29401	0.3
121.06529	0.4
177.12781	0.7
263.16278	0.3
275.20255	0.7
313.27332	0.4
349.23593	0.3
349.40869	0.3
399.16183	0.4
400.17300	0.7
401.17648	1.4
402.19122	0.4
412.17996	0.5
413.17938	1.1
414.18359	1.4
415.19235	5.7
416.19977	2.7
417.21048	0.8
427.19720	0.8
428.20062	1.3
429.20868	9.6
430.21686	4.2
431.22357	1.3
433.24051	0.5
442.22107	0.6
443.22845	4.9
444.23538	7.0
445.24210	4.6
446.24677	0.4
448.26447	0.8
456.19559	0.5
457.19843	1.3
457.24374	1.3
458.25739	2.5
459.21561	2.8
459.25937	2.5
461.23584	0.4
470.21225	0.4
471.21750	1.2
472.22656	4.1
473.23538	6.2
474.24332	2.6
475.21753	0.3
476.22177	0.6
485.23541	3.8
486.24521	1.6
487.24985	23.0
488.26233	1.6
489.22855	0.6
490.23773	0.6
502.23569	0.5
503.24643	2.8
504.25195	0.4
513.22534	0.6
517.26581	3.0
518.23138	0.5
531.23962	1.1
532.24756	0.5
545.25488	17.0
546.26080	3.2
573.24963	1.8
577.27594	0.3
590.25439	0.4
605.27606	100.0
606.27771	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32267	0.4
51.02393	0.5
52.62418	0.5
53.03938	1.0
55.01866	0.8
55.05504	1.8
65.03914	0.5
67.05496	0.7
69.03442	3.0
69.93726	2.2
81.03434	2.6
81.07080	0.4
83.04993	6.3
85.02898	1.9
91.05488	0.5
93.03405	1.4
94.04198	1.5
95.04977	1.0
97.02908	2.7
99.04488	1.1
100.88908	0.4
109.02883	1.6
111.04453	2.9
115.05466	0.8
117.07014	1.1
117.82387	0.4
121.02885	1.8
122.03666	5.3
127.03912	2.5
137.05995	100.0
139.03914	4.0
143.04942	6.2
145.04958	0.8
145.06464	0.9
147.04448	0.8
151.03920	19.7
151.04982	1.3
153.01836	1.3
157.05014	1.3
163.03896	1.0
165.01790	0.5
175.07579	2.3
191.06985	0.5
203.07072	1.8
205.08698	2.7
215.01443	0.4
219.02759	0.5
255.08539	0.7
283.08167	0.5
287.05536	30.7
301.09186	0.8
321.11230	0.9
327.12286	6.8
339.12411	1.0
357.13373	62.8
358.00345	0.4
358.13736	1.0
374.98154	0.8
388.95856	0.5
416.99203	0.6
519.02539	0.5
605.18756	0.9
617.60052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.8
55.05508	3.8
57.02760	1.5
57.03441	3.5
57.07071	2.2
61.02914	7.0
67.05514	6.0
69.03423	3.9
69.07057	3.8
70.06611	2.2
70.09512	1.9
70.09865	5.6
71.05005	1.7
73.02927	47.3
79.05491	4.7
81.07063	13.4
83.08621	4.0
85.02917	6.8
87.58535	1.2
88.07625	2.8
91.05499	6.0
93.07055	9.5
93.61729	1.2
95.04964	2.9
95.08612	16.7
97.02889	2.7
98.21415	1.9
99.08099	4.1
102.09155	1.2
105.07052	17.3
107.08608	13.4
109.06523	3.2
109.10161	7.3
111.08112	1.7
115.03951	4.3
116.06190	1.6
117.07018	3.2
119.08577	25.8
121.06525	1.7
121.10155	11.3
123.08064	1.6
123.11695	4.3
128.06277	2.1
129.06984	3.9
131.08588	9.0
133.10129	14.3
135.08052	1.7
135.11713	10.3
137.13307	1.5
142.07747	1.8
143.08562	14.4
145.10132	12.8
147.08170	2.0
147.11699	9.7
149.02361	3.2
149.09654	1.6
149.13249	2.6
150.02783	1.9
153.01881	2.2
155.08534	1.6
156.09396	2.1
157.10141	9.9
159.08018	1.7
159.11714	12.6
161.09586	3.3
161.13281	7.8
163.11267	2.1
163.14850	2.7
166.52792	1.5
169.10126	3.7
170.10899	3.6
171.11713	5.6
173.13257	7.7
175.14845	16.5
177.16432	4.6
183.11720	4.0
185.13277	66.3
187.14835	8.3
189.12764	2.1
189.16400	31.7
191.14415	1.9
191.17931	21.4
193.04947	5.3
197.13351	2.5
199.14853	7.2
200.20088	3.9
201.16437	13.4
201.20451	3.1
203.14326	100.0
203.18007	4.3
205.15878	2.6
207.17455	4.0
211.14897	3.4
213.16368	3.2
215.18010	2.6
217.15936	7.4
220.87682	1.4
221.13409	1.3
223.14833	1.7
225.16327	1.9
227.17880	2.2
245.15346	1.9
249.14883	83.5
251.18164	1.5
339.21594	8.5
386.09338	1.3
388.44876	1.5
389.31989	5.2
407.32947	5.2
425.34439	3.2
429.12164	1.4
430.12088	3.0
435.32465	2.0
453.33295	4.8
459.64255	1.4
479.37238	1.3
483.34741	2.7
510.67398	1.4
539.36963	1.9
557.38440	56.8
573.57635	1.4
603.29761	16.8
603.38727	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03767	5.8
53.03945	11.4
55.05518	13.0
57.03418	8.6
57.07096	7.9
60.61209	5.9
61.02914	9.9
67.05499	18.8
69.07067	24.6
69.49060	38.2
70.06562	7.1
72.24007	8.2
73.02928	81.6
79.05505	20.0
81.03428	9.6
81.07070	42.9
81.67617	6.3
82.72064	6.8
83.04986	9.4
83.08636	9.4
85.02883	8.2
91.05483	40.0
93.07050	50.7
95.04978	9.8
95.08623	61.9
97.02920	6.3
99.01451	7.5
99.08117	26.3
105.07030	40.1
107.08603	82.4
109.06557	7.1
109.10181	43.7
115.03969	13.3
117.07029	7.9
119.08591	46.4
120.08121	17.7
121.10152	55.9
122.02945	6.3
123.11717	23.7
129.07021	8.6
131.08589	24.4
133.10161	44.6
135.11717	34.9
143.08560	21.1
145.10155	31.6
147.11697	46.8
148.07590	26.4
149.13243	16.9
153.01793	8.8
156.09407	7.0
157.10149	28.6
159.11684	40.6
161.13243	30.6
163.14836	15.5
169.10141	13.9
171.11678	34.6
173.13278	43.7
175.14857	12.7
179.14337	21.0
180.75957	6.2
181.10144	9.2
183.11699	42.8
185.13246	30.7
187.14894	37.0
189.16418	21.0
195.11693	6.5
197.13271	35.5
199.14859	28.6
201.16435	28.4
203.14297	7.6
203.18016	8.7
205.15829	7.4
209.13293	8.7
211.14809	10.8
213.16444	17.2
215.17892	10.2
223.14836	10.1
225.16301	14.3
227.17915	8.9
229.13420	10.6
235.14824	7.9
243.17409	7.1
245.19022	11.1
251.18016	15.8
252.18620	7.1
253.19569	20.1
259.20709	11.2
265.19467	9.1
267.21066	57.7
269.19000	10.1
271.20621	19.4
280.39557	7.7
283.20496	6.5
285.22232	24.0
289.15445	6.8
331.22662	8.1
389.31808	8.4
407.33041	95.1
410.28210	11.8
425.34265	39.8
453.33646	100.0
456.21469	51.7
557.38190	27.9
603.29688	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	603.3163
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03934	9.5
55.01878	11.6
55.05513	39.0
57.03439	15.4
58.97106	2.5
67.05506	46.0
67.45989	2.4
69.03423	6.6
69.07076	11.8
71.01357	2.8
71.02024	3.6
71.02345	3.4
71.04996	7.6
73.02913	2.5
79.05497	48.4
79.39355	2.4
81.03421	83.3
81.07059	44.9
83.04986	21.8
83.08617	26.5
85.02914	38.5
85.06554	5.2
91.05482	58.6
93.07051	36.4
95.04971	55.0
95.08613	20.6
97.02893	8.0
97.06509	7.2
97.10155	15.9
97.58216	2.9
99.04510	2.4
103.05461	11.5
105.07033	41.5
107.04955	24.6
107.08590	17.4
109.02888	20.4
109.06512	6.8
109.10175	8.9
111.04436	16.0
111.08091	12.9
115.05442	11.6
117.07034	24.5
119.04953	8.0
119.08590	28.4
119.88174	2.2
121.02876	7.9
121.06516	16.9
121.10156	12.9
123.04465	8.0
123.08077	7.0
123.11701	3.9
125.09638	12.1
127.03900	5.1
128.06256	6.3
129.07002	22.0
131.04948	15.0
131.08582	27.3
133.06500	12.7
133.10085	14.8
135.04401	2.8
135.08061	7.2
135.11710	6.2
137.02332	7.2
137.06001	4.8
137.09651	3.4
141.06985	8.2
142.07790	3.9
143.08580	10.5
144.05681	2.7
145.06485	21.8
145.10095	12.3
147.04385	14.5
147.08018	11.7
147.11684	16.7
147.18390	2.5
149.05975	9.0
149.09645	8.9
151.04018	2.6
153.06993	3.1
153.09081	2.7
153.12747	3.8
155.08597	7.9
156.91563	2.3
157.06525	9.0
157.10117	12.8
159.08104	6.4
159.11674	4.1
160.05229	5.8
161.05977	23.1
161.09598	4.9
163.11205	10.2
165.12787	3.3
167.08647	6.2
169.10150	6.6
171.04417	3.6
171.08095	10.1
171.11722	4.5
173.05984	31.0
173.09607	5.3
174.06769	8.4
175.03915	5.6
175.07582	6.4
175.11221	13.9
181.06575	3.9
181.10143	3.8
181.12215	3.7
183.07971	3.1
183.11755	4.4
185.06009	5.5
185.09656	4.6
187.07552	15.0
189.05464	27.5
189.09171	5.7
189.11278	6.9
191.10754	6.7
193.12239	36.9
197.09593	4.9
199.07549	5.2
201.09122	4.5
203.10722	3.6
211.13260	41.2
213.12842	5.8
227.12727	6.6
237.12689	3.1
239.14256	2.9
245.15372	5.1
255.13824	7.5
257.15491	6.1
259.13202	3.4
267.15948	14.6
271.13412	3.6
273.14825	27.3
283.13138	14.0
285.10120	3.6
285.14478	5.2
285.17365	18.0
287.16589	2.8
289.14328	6.4
297.14917	2.5
301.14331	100.0
303.15976	5.4
315.16101	3.5
319.15414	20.1
323.16562	3.3
341.17532	3.2
345.16644	2.6
357.16867	4.7
375.18002	24.4
391.33221	2.6
393.19098	10.0
465.26453	3.5
475.24564	3.3
493.25558	5.5
511.26834	6.8
529.27869	3.2
539.30170	2.6
543.29395	3.4
567.29236	13.7
573.30731	16.5
585.30548	82.7
603.31598	89.7
605.24121	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	603.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.2
55.01871	13.3
55.05513	45.6
57.03443	15.2
57.13710	3.1
61.02927	4.8
67.05510	56.3
69.03430	11.3
69.07060	14.4
70.06584	3.8
70.89658	3.7
70.89980	6.0
71.04982	6.5
73.02915	19.9
77.10102	3.6
79.05499	51.8
81.03423	59.2
81.07063	60.6
83.05000	15.1
83.08633	26.5
85.02902	28.5
91.05487	60.0
93.07055	40.3
95.04978	48.9
95.08613	34.2
97.02899	6.3
97.06515	7.2
97.10175	23.6
99.08101	3.7
102.53102	2.9
103.05453	5.9
105.07037	43.3
107.04953	19.8
107.08605	36.4
109.02871	12.3
109.06518	10.2
109.10175	16.6
111.04453	14.4
111.08083	9.0
113.06010	3.5
115.05467	12.1
117.07062	16.2
119.04965	7.6
119.08581	30.3
121.02876	9.6
121.06542	16.6
121.10153	21.8
123.04427	9.5
123.08089	8.6
123.11684	7.2
125.09649	14.2
128.06239	9.5
129.07010	24.3
131.04932	14.8
131.08603	22.4
133.06534	15.5
133.10129	18.9
135.04337	6.1
135.08070	8.1
135.11713	16.3
137.02330	5.8
137.05960	5.7
141.06981	9.2
143.08565	14.2
145.06496	24.7
145.10115	18.1
147.04430	12.8
147.08032	10.1
147.11678	21.4
149.05956	6.4
149.09656	10.7
149.13292	5.2
151.03928	5.2
151.07610	3.4
153.12776	3.6
155.08611	8.9
157.06494	11.3
157.10120	18.2
159.08081	10.6
159.11696	12.4
160.05225	6.3
161.06010	28.9
161.09618	7.9
161.13156	4.1
163.11221	13.3
163.14828	3.1
165.09111	4.7
165.12791	3.4
167.06972	3.3
167.08629	8.1
169.06488	4.5
171.08049	6.8
171.11717	10.6
173.06003	29.7
173.09634	5.8
173.13332	6.1
175.03886	6.1
175.07520	6.4
175.11200	8.4
175.14789	11.8
177.05394	3.3
181.06529	4.0
181.10101	4.4
182.90984	3.5
183.08073	6.3
183.11681	5.8
185.06012	4.7
185.09615	4.6
185.13254	12.4
186.06816	3.4
187.07584	17.9
187.14871	8.1
189.05487	25.7
189.09262	3.3
189.11208	7.9
189.12773	6.5
189.16316	19.7
191.10675	5.7
191.17984	8.5
193.12234	22.9
195.08015	3.7
195.11800	4.8
197.09648	4.4
197.13365	5.3
199.07596	5.9
199.14827	6.7
201.09138	4.4
201.16382	6.0
203.07011	7.9
203.10689	4.5
203.14314	10.0
205.12299	4.1
207.17564	3.4
211.13271	25.1
211.15094	4.4
213.09241	4.7
227.12743	7.0
229.12296	3.5
237.12778	4.2
241.12151	5.1
243.13770	3.1
249.14909	7.2
255.13808	10.4
257.15460	5.0
267.15994	8.7
271.13428	6.6
273.14841	21.9
283.13290	11.4
285.14560	6.4
285.17038	10.7
285.22067	4.1
287.05725	4.6
289.14331	5.7
297.07632	3.2
299.16360	3.8
301.14365	80.8
303.16089	6.4
313.17853	3.6
319.15472	11.5
323.16394	3.8
341.17480	11.8
343.15448	7.8
375.18127	19.0
389.32053	4.9
393.19534	5.2
407.33041	11.1
453.33557	12.6
475.25009	3.7
493.25787	9.5
511.26752	10.7
521.30994	19.8
529.27722	6.4
539.29950	5.3
543.29559	17.0
555.29034	4.2
557.38409	23.0
567.29681	21.4
573.30585	14.4
585.30566	100.0
603.31329	72.8
603.39514	6.4
617.10547	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	601.1193
Annotation	Kaempferol 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02388	0.8
51.11989	0.5
53.03959	1.1
55.01875	0.9
57.03448	0.5
59.51237	0.4
61.02921	0.9
65.03950	0.4
68.99773	0.8
69.03437	4.0
71.04980	0.9
79.01852	3.0
79.05535	0.3
81.03426	3.4
81.07053	0.8
82.45898	0.4
83.01330	0.5
85.02917	4.3
91.05484	3.5
92.05827	0.4
93.07040	0.4
97.02898	13.2
99.04459	1.2
103.05479	0.3
105.07031	0.8
107.01344	1.2
107.04927	0.6
107.08594	0.4
109.02885	3.1
111.29458	0.4
119.04928	0.5
119.08575	0.4
121.02871	3.6
123.04462	0.5
125.02341	1.8
127.03934	3.6
129.07057	0.4
131.04916	0.4
133.02879	0.7
135.04413	0.4
137.02333	1.3
137.05966	1.2
143.03389	2.9
145.04955	3.4
147.04420	1.3
147.11656	0.7
149.13409	0.4
151.03941	1.2
153.01840	52.0
153.02908	3.1
161.06024	0.5
165.01875	1.5
167.07051	1.2
171.02905	5.8
171.04300	0.7
183.02943	1.1
203.07297	0.4
213.05441	2.0
213.41475	0.3
231.06483	0.5
241.05029	0.7
258.05243	1.0
259.06113	0.7
269.04364	0.5
271.06046	1.2
285.17108	0.4
287.05511	100.0
288.05869	1.1
297.06003	0.7
315.07132	0.5
385.18204	0.6
497.27628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03092	0.6
69.03436	7.8
70.82964	1.1
79.01858	2.9
97.02887	1.1
98.10027	0.5
103.15232	0.5
107.01379	0.5
109.02897	0.8
125.02352	2.6
127.03930	5.4
127.17627	0.5
129.22327	0.5
136.50960	0.6
137.02356	0.7
143.03410	4.3
147.04385	0.7
153.01840	100.0
153.02870	4.2
159.04562	0.6
171.02882	1.2
179.03354	0.9
191.03418	1.7
205.05067	1.4
207.02925	1.1
209.35851	0.5
227.51845	0.6
233.04486	1.2
237.04015	2.4
279.05197	0.7
287.05521	28.4
297.06122	2.9
311.05368	0.6
315.07175	4.1
329.06705	0.7
331.41132	0.5
402.45584	0.5
525.98187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.4
53.03939	1.3
55.01878	0.4
56.65523	0.3
57.03433	0.9
61.02929	0.8
65.03944	0.6
67.05500	0.5
68.99784	0.9
69.03432	4.6
70.70891	0.4
70.71227	0.7
71.05008	0.9
79.01863	2.3
79.05482	0.3
81.03416	3.6
81.07058	1.4
83.01312	0.4
83.04971	0.4
85.02914	5.8
89.38099	0.3
91.05485	7.4
92.05807	1.9
95.04971	0.3
97.02902	13.1
99.04451	1.0
105.03380	0.4
105.07054	0.8
107.01321	1.0
107.04980	0.7
107.08601	0.4
109.02892	3.1
111.00858	0.9
119.04958	0.4
119.08591	0.6
121.02870	2.9
123.04437	0.6
125.02361	2.1
127.03935	3.5
133.02826	0.5
137.02388	0.9
137.05960	1.1
138.06355	0.4
143.03401	2.9
145.04962	3.5
147.04431	1.5
147.11684	0.8
151.03944	1.7
152.04190	0.5
153.01843	53.5
153.02916	3.2
156.09573	0.3
157.06453	0.5
161.06001	0.6
165.01848	1.9
167.07033	1.1
171.02917	5.6
171.04311	0.6
173.63960	0.3
177.05464	0.7
181.05006	0.3
183.02908	0.5
213.05495	1.5
228.58545	0.3
231.06462	0.8
241.05063	0.7
258.05255	1.3
259.05856	0.4
267.16010	0.5
271.06015	1.0
287.05521	100.0
288.05759	1.2
297.06152	0.8
299.05405	0.5
311.14874	0.7
315.07095	1.0
404.19830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.119
Annotation	Kaempferol 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02385	0.3
51.11996	0.3
55.70920	0.3
57.25849	0.3
61.46778	0.2
63.05807	0.3
68.99805	0.7
69.03427	0.8
69.38140	1.5
69.38544	0.7
79.01861	4.1
81.03432	0.7
85.02924	1.1
97.02910	1.6
99.04447	0.4
107.01344	1.2
109.02901	1.3
111.00828	0.6
113.41123	0.3
121.02865	1.9
125.02343	2.5
127.03963	1.6
133.02896	0.4
137.02370	0.5
143.03410	4.9
147.04407	0.3
153.01849	100.0
153.02907	5.6
154.02213	0.6
157.06508	0.7
165.01884	1.5
171.02875	1.1
171.04300	0.4
183.02773	0.4
195.02895	0.8
206.70374	0.3
213.05478	0.9
220.56090	0.3
231.06526	0.4
241.05028	0.7
258.05331	0.8
259.06110	0.6
287.05530	78.0
288.05832	1.0
297.06088	0.7
301.11496	0.4
315.07153	4.4
329.06442	0.5
353.06595	0.3
395.07968	0.4
485.69641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1193
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01606	0.3
51.02381	0.5
53.03946	1.1
55.01873	0.5
68.99793	0.6
69.03433	2.5
69.41112	1.9
71.05007	0.3
74.65100	0.2
74.65523	0.2
79.01858	4.9
79.50916	0.3
80.29574	0.2
81.03427	8.8
81.84443	0.2
85.02906	2.1
96.33610	0.2
97.02894	5.3
98.20768	0.5
99.04465	0.7
107.01302	1.9
107.04951	0.2
109.02888	5.1
111.00813	0.7
116.49982	0.2
121.02866	2.1
123.00807	0.4
125.02356	3.5
127.03934	5.7
137.02342	2.9
143.03409	4.9
145.04974	0.8
147.04448	0.6
153.01845	100.0
153.02866	4.9
154.02138	0.3
165.01872	1.5
171.02902	8.3
183.02953	0.5
185.06012	0.4
213.05362	0.7
231.06573	0.7
241.04955	0.8
258.05255	0.4
287.05524	69.5
288.05875	1.0
297.06076	9.3
303.05005	1.1
315.07138	2.8
329.06519	0.7
372.06027	0.3
540.24695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24193	3.0
51.62469	3.0
52.34037	3.4
53.03944	6.4
53.57225	3.1
55.05508	14.3
55.67535	3.3
57.07079	13.0
57.53609	3.7
67.05505	26.2
68.46974	3.5
69.03426	15.7
69.07066	12.7
70.15377	13.7
76.19775	3.4
79.05505	34.2
79.98868	3.1
81.07053	33.6
83.04992	12.1
83.08631	9.9
89.30484	3.8
91.05482	45.8
93.07052	79.0
95.04968	16.0
95.08618	37.1
97.06540	5.9
103.05460	6.5
105.06333	5.0
105.07034	77.9
107.04915	4.3
107.08601	50.0
109.06580	17.0
109.07184	4.0
109.10162	13.0
111.08108	7.2
113.09688	4.2
115.04687	3.8
115.05454	8.5
117.07039	25.8
119.08588	75.7
121.06519	14.8
121.10158	45.5
123.08076	30.8
123.11699	4.6
125.05981	5.8
125.09657	8.0
128.06227	14.8
129.07039	29.6
130.07784	7.0
130.13036	3.4
131.08577	39.4
133.06473	7.1
133.10126	44.4
135.08054	22.3
135.11700	13.2
137.09612	12.3
139.07523	4.8
139.11166	4.3
141.06987	9.0
142.07787	33.5
143.08568	51.7
144.09325	11.5
145.06516	5.0
145.10129	61.1
146.10870	4.2
147.07031	5.0
147.08043	28.9
147.11687	10.6
149.09683	19.6
151.07594	20.8
153.06906	4.2
154.07768	4.0
155.08559	21.2
156.09340	21.6
157.10139	75.9
158.10890	11.4
159.08084	14.6
159.11696	39.1
160.08849	11.8
161.09625	19.9
161.13210	8.3
163.11192	18.6
165.07040	8.7
165.09111	45.4
167.08554	12.9
167.10712	17.8
168.09384	8.8
169.10155	23.3
170.10924	8.7
171.11694	36.7
172.12558	8.6
173.09595	10.7
173.13309	12.0
175.11237	27.2
175.14868	4.8
176.12061	5.1
177.12679	5.0
179.08601	13.6
179.10687	5.0
180.09346	6.0
181.10141	17.5
181.12250	15.3
182.10933	8.1
183.11722	31.9
184.12509	4.3
185.09624	8.1
185.13338	21.9
186.10364	4.8
186.83615	3.6
187.11180	10.4
187.14795	8.5
189.12752	13.8
190.13495	11.9
191.14305	4.9
193.10149	14.3
193.12257	15.9
194.10896	9.2
195.11690	25.9
196.12488	5.0
197.13220	27.4
198.14024	4.4
199.11110	9.0
199.14865	8.1
201.12778	10.6
203.14301	23.5
205.10201	4.9
206.10930	4.4
207.11714	12.0
207.13828	15.0
208.12532	7.1
208.14616	6.5
209.13272	20.8
210.13972	4.5
211.14818	11.4
213.12798	15.8
215.14258	5.6
219.13667	5.5
220.12410	5.4
221.13237	16.8
221.15335	76.4
222.13985	6.1
223.14841	9.5
225.12756	7.7
225.16344	6.6
226.13474	4.1
227.14256	5.6
227.79195	4.0
229.12137	4.1
230.13097	5.9
231.11684	5.3
233.13373	6.1
233.15398	24.7
234.16115	9.4
235.14819	10.2
237.12683	8.6
237.14709	32.3
239.14287	4.0
239.17770	4.2
247.14786	8.3
247.17001	12.1
248.14087	11.1
249.16235	4.9
253.15742	4.0
255.17543	18.1
261.16306	9.0
263.18036	5.0
269.18954	4.3
271.16986	9.1
274.19293	16.6
277.19434	4.6
279.17453	7.5
281.18961	4.7
285.18564	10.0
286.19275	15.6
287.20032	9.7
294.19913	6.3
297.18478	6.0
299.20074	14.3
300.20889	4.6
303.19583	55.3
309.18729	5.0
312.20795	6.0
313.21552	15.0
325.21637	15.6
337.21555	14.3
352.24005	100.0
365.24777	18.6
377.24863	7.5
383.25778	6.5
389.32919	4.1
401.27139	4.2
487.32651	4.3
502.34418	10.8
503.35461	4.2
505.32953	9.6
507.34634	12.5
508.35056	4.5
520.35559	52.6
582.39740	5.4
600.41754	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83755	2.4
51.53281	2.6
53.03948	8.7
55.05513	23.9
57.07069	11.2
59.04991	3.1
63.60205	2.1
65.03952	2.8
67.05512	30.1
69.03443	5.4
69.07071	22.1
71.04997	4.8
71.49989	2.7
79.05495	33.5
80.79234	2.2
81.07059	35.4
83.04977	13.0
83.08624	17.3
85.06584	2.7
85.10196	2.7
87.01762	2.5
89.06021	5.8
91.05479	48.6
93.07051	67.9
95.04976	9.4
95.08609	42.6
97.06533	8.8
103.05462	6.6
105.07037	84.8
107.08594	70.6
109.06519	10.7
109.10158	31.5
111.04474	2.3
111.08098	3.2
115.05478	7.8
117.07017	27.5
119.04906	2.8
119.08591	100.0
121.06507	9.8
121.10148	63.0
123.08088	9.9
123.11724	10.6
125.09639	11.1
128.06219	8.9
129.07005	20.9
130.07793	7.1
131.08580	37.5
132.09317	3.3
133.06511	5.2
133.08675	3.1
133.09052	3.1
133.10143	57.6
135.08086	9.3
135.11696	26.8
137.09628	6.6
139.11150	6.9
141.07027	7.5
142.07797	17.1
143.08575	34.0
144.09338	12.8
145.06473	6.4
145.10143	81.1
147.08066	6.4
147.11719	24.7
147.85297	2.5
149.09579	13.9
149.13249	6.6
151.11127	4.4
153.01813	3.6
154.07782	5.0
155.08569	16.7
156.09360	12.0
157.10146	49.5
158.07265	2.8
158.10880	7.5
159.08098	10.1
159.11705	45.8
161.09616	13.9
161.13286	7.7
162.56839	2.3
163.11205	8.2
165.07040	6.0
165.69902	2.8
166.07857	3.3
167.08540	9.9
167.10686	56.0
168.09369	5.7
169.10112	26.3
170.10919	7.3
171.11693	29.5
172.08846	4.0
172.12386	3.0
173.09599	4.7
173.13258	23.4
175.11162	6.7
175.14842	23.0
177.11267	3.4
177.12770	7.3
179.08563	7.4
180.09276	3.9
181.10155	15.0
181.12227	7.4
182.10876	8.2
183.11697	28.0
185.09700	3.6
185.13258	18.2
187.11157	3.2
187.14848	17.6
189.12781	5.2
191.14288	3.8
193.10078	11.7
194.10855	6.9
195.11723	20.6
195.13358	3.3
196.12424	6.9
197.13295	26.1
199.11234	3.6
199.14891	11.7
201.12738	6.0
201.16417	7.7
203.14276	5.2
205.10152	3.8
206.10927	5.5
207.11775	13.4
207.13651	2.9
208.12498	7.5
209.13193	19.9
210.13968	5.4
211.11201	4.3
211.14848	9.5
213.12663	3.1
213.16397	4.0
214.60260	2.7
215.14378	4.5
217.15965	4.5
219.11909	4.3
219.13799	5.5
220.12578	5.8
221.13318	14.9
221.15294	4.5
222.13936	4.6
223.14862	17.4
225.16376	5.5
227.14400	3.5
233.13275	5.7
233.15410	9.1
234.16132	9.2
235.14822	10.9
237.16478	5.2
239.17917	4.8
243.17493	3.6
245.13316	2.9
247.14839	10.5
249.16457	7.3
251.18048	3.2
253.19698	3.1
255.17386	4.8
259.14777	2.9
259.20517	3.5
261.16360	3.9
262.17059	3.1
263.17953	4.6
265.19543	8.1
275.17865	4.9
283.20599	7.5
297.22128	5.2
299.20126	3.8
333.22144	2.8
338.25955	2.9
351.23184	3.5
362.25967	2.9
363.26764	11.2
387.26785	2.5
427.81213	2.8
465.33792	8.2
539.39154	5.6
557.40063	17.9
582.39734	4.7
594.44556	2.6
600.41772	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.2
57.07067	11.1
59.04987	5.6
62.69887	3.5
67.05509	22.8
69.03441	7.7
69.07066	12.8
71.27753	8.3
79.05495	17.1
81.07037	28.7
83.04985	7.7
86.69521	3.3
89.06030	9.6
91.05490	20.9
93.07051	32.8
95.04993	8.6
95.08595	25.2
97.06523	4.3
104.05093	4.9
105.07039	40.6
107.08612	27.4
109.06508	8.8
109.10163	7.2
117.07021	13.6
119.08574	59.8
120.08842	4.2
121.06470	6.6
121.10119	18.4
123.08078	14.3
125.05962	10.7
129.06970	10.1
130.07782	6.4
131.08569	22.9
131.95099	3.4
133.08623	10.0
133.10133	27.8
135.08076	15.6
135.11682	5.2
137.05930	3.9
137.09592	13.5
142.07797	11.1
143.08575	18.6
144.09262	6.1
145.10138	39.5
147.08051	23.7
147.11678	5.4
149.09634	10.9
151.07524	10.6
155.08543	10.3
156.09354	5.3
157.10130	33.9
158.10831	5.6
159.08032	11.3
159.11702	15.8
161.09637	9.6
161.13199	9.7
163.11179	16.3
165.09113	62.5
166.07970	4.2
166.09459	5.2
167.08485	4.8
168.09338	4.2
169.10141	13.0
170.10886	5.4
171.11664	23.0
173.09633	9.7
173.13225	9.0
175.11151	22.4
178.09712	4.1
179.08603	5.0
180.11519	4.4
181.10007	9.6
181.12283	20.0
183.11668	10.1
185.13240	12.6
187.11172	6.1
189.12776	10.6
189.35481	3.7
190.13516	6.2
193.12306	9.1
193.62744	4.1
194.10866	5.3
194.12802	3.5
195.11691	7.3
197.13242	7.3
199.11147	7.9
201.12729	6.9
203.14348	16.5
206.10681	4.4
207.11858	6.8
207.13840	11.8
208.14586	8.7
209.13263	7.0
211.14856	9.9
219.13826	7.5
221.13673	4.6
221.15387	100.0
222.15709	10.6
223.11307	5.3
225.12514	4.7
227.14238	4.9
234.16103	18.4
240.18367	3.8
243.11674	4.0
247.16953	32.5
248.17455	5.6
274.19290	17.7
281.19070	4.3
287.20038	13.2
299.20126	18.8
312.20728	7.5
313.21619	9.5
325.21710	8.6
327.23325	4.1
339.23364	5.1
340.23965	15.6
352.23981	28.6
353.86575	3.5
387.25494	6.5
392.26947	5.3
413.27170	4.2
419.29379	13.8
425.27042	8.8
427.28116	18.2
440.29202	51.6
508.35416	8.9
520.35394	29.2
521.36047	5.9
585.39740	5.4
600.41260	47.1
600.50421	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01876	2.2
55.05514	9.7
57.07080	10.1
59.04995	5.2
65.03934	2.3
67.05514	16.7
69.03427	6.9
69.07074	9.3
69.99545	5.6
69.99944	4.8
70.59322	1.8
79.05501	16.1
81.07069	25.9
83.04990	6.1
83.08644	5.7
85.06544	6.2
89.06037	7.5
91.05487	28.2
93.07057	37.3
95.04970	13.0
95.08611	22.4
97.06548	7.6
105.07043	45.5
107.04951	2.8
107.08587	26.5
109.06523	12.4
109.10167	13.1
111.08146	1.9
115.05477	4.3
117.07022	13.9
119.08585	67.3
120.09412	2.4
121.06535	11.0
121.10177	20.4
121.68967	2.1
123.08081	18.8
125.05982	8.5
128.06209	5.6
129.07024	11.3
130.07784	5.5
131.08553	28.1
132.09335	2.6
133.06520	4.0
133.08582	5.1
133.10143	22.1
135.08080	13.3
135.11736	10.4
137.05949	2.0
137.09610	12.6
139.07561	3.6
141.06970	4.9
142.07806	11.8
143.08578	23.7
144.09348	7.9
145.06477	3.2
145.10124	38.2
147.08058	30.3
147.11732	8.9
149.09633	13.3
149.13191	2.1
150.10414	2.3
151.07571	9.1
153.07031	2.8
154.07780	2.4
155.08578	10.1
156.09370	10.2
157.06485	2.2
157.10152	32.6
158.10884	7.8
159.08076	9.7
159.11717	22.4
160.08827	4.7
161.09634	9.0
161.13260	7.8
163.11205	15.3
165.09128	41.2
166.07933	2.2
167.08575	5.4
168.09377	3.6
169.10127	14.3
170.10913	6.2
171.11723	23.9
172.08859	2.8
172.12428	3.0
173.09677	7.9
173.13266	9.6
175.11206	21.1
175.14864	2.6
177.09091	4.9
177.12798	2.7
178.10033	3.3
179.08572	5.7
179.10742	2.0
180.09367	4.3
180.11494	3.3
181.10193	10.4
181.12227	17.9
182.10928	3.7
183.11688	17.8
184.12492	5.5
185.09619	3.3
185.13284	10.8
187.11163	7.0
187.14806	3.9
188.12015	2.8
189.12758	9.0
190.13568	11.2
191.10677	8.3
193.10201	6.7
193.12263	16.6
194.10963	4.2
195.11676	8.1
195.13535	2.6
196.12534	4.8
197.09549	3.4
197.13261	13.8
199.11166	5.8
199.14873	3.4
201.12733	9.4
203.14354	18.0
206.10994	3.2
207.11664	7.1
207.13858	9.7
208.12634	4.2
208.14555	8.9
209.09735	2.4
209.13419	10.3
209.15230	2.8
211.11212	3.6
211.14848	6.4
212.15538	2.7
213.12787	4.4
215.14267	3.9
217.76941	2.1
218.10989	2.2
219.11861	3.6
219.13612	9.6
220.12646	2.4
221.13420	7.7
221.15369	100.0
222.15823	5.6
223.11172	2.6
223.14818	4.6
225.12723	4.7
225.16423	3.7
227.14435	2.9
231.13762	3.6
233.15405	2.9
234.16158	20.6
235.14781	5.0
237.12709	5.8
239.14366	2.4
239.18062	2.6
243.13733	2.6
245.15570	2.2
246.48254	2.0
247.16991	33.3
248.15422	2.4
248.17813	2.5
249.16443	2.0
251.14316	3.4
253.15938	2.9
259.14633	3.3
259.17032	5.6
261.18729	4.4
263.14450	2.3
263.17987	2.8
269.15323	2.6
269.19208	2.3
271.16867	4.6
273.18604	3.2
274.19348	13.9
281.18948	4.0
285.18619	4.9
287.19922	11.9
297.18481	2.5
299.20093	17.1
311.20074	5.6
312.20844	7.7
313.21863	4.8
319.20483	2.5
325.21622	15.7
337.21570	4.0
339.23239	6.1
340.23822	16.1
352.23926	30.8
353.24661	4.0
365.24796	7.2
366.25720	5.2
379.26157	3.5
387.25073	5.3
391.26477	2.3
399.72244	2.2
402.27594	2.4
413.26920	4.3
419.29486	11.6
420.30362	5.5
425.26886	8.9
427.28537	14.2
439.28564	2.8
440.23511	3.2
440.29260	47.3
442.30698	3.0
508.35312	8.9
513.24390	4.5
520.35474	32.9
521.35992	5.1
540.23615	2.8
585.39667	4.3
600.25293	9.2
600.41779	32.2
600.50720	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42004	3.1
51.71024	2.9
53.03951	6.3
55.05515	16.1
57.07069	15.8
59.05007	3.1
65.03961	5.9
67.05515	22.2
69.03425	16.1
69.07059	10.9
69.25525	30.4
71.05007	3.6
76.26102	3.9
77.03941	3.7
79.05489	27.5
81.03394	4.2
81.07056	33.3
81.07488	5.0
83.04963	7.4
83.08619	8.5
85.06554	8.3
89.06041	3.2
91.05493	46.1
93.07051	62.2
95.04980	19.1
95.08611	26.9
97.06541	9.2
99.94357	3.4
105.06322	4.7
105.07036	79.0
105.69671	3.1
106.07805	3.2
107.04955	4.8
107.08595	54.7
109.06506	15.6
109.10178	18.1
111.08062	5.2
115.05473	7.2
117.07018	20.6
119.08590	73.7
121.06512	11.5
121.10158	42.8
123.08067	32.3
123.11733	6.9
125.05994	8.3
125.09625	8.4
128.06235	12.4
129.07005	23.6
130.07797	8.6
131.08591	44.8
133.06497	6.4
133.10133	45.2
135.08061	27.8
135.11693	11.0
135.72496	3.3
136.91881	3.4
137.09599	19.4
139.07516	5.7
141.07001	9.8
142.07759	20.4
143.08565	47.4
144.09326	13.8
145.10136	60.3
147.08061	36.3
147.11710	11.0
149.09615	20.7
151.07565	21.1
155.08595	17.7
156.09341	20.5
157.08958	6.4
157.10139	79.0
158.10878	7.9
159.08011	18.8
159.11690	36.2
161.09662	23.1
161.13301	7.6
163.11182	17.7
165.06973	7.6
165.09132	54.5
167.08623	6.9
167.10692	15.2
168.09335	4.6
169.10147	30.5
170.10889	10.2
171.08112	7.2
171.11691	32.0
172.12468	5.1
173.09625	12.7
173.13280	12.1
175.11220	29.5
175.14853	5.5
177.09184	3.5
178.07747	3.5
179.08627	12.1
179.10796	5.6
180.09329	6.9
181.10133	16.6
181.12216	10.2
182.10924	9.7
183.11696	29.3
184.12395	6.7
185.09660	7.0
185.13277	22.7
187.11215	10.0
189.12772	18.1
190.13541	10.9
191.10698	4.8
192.09343	4.3
193.10165	15.2
193.12280	10.6
194.10880	5.9
194.12810	3.0
195.11685	25.9
195.13423	4.4
196.12410	10.6
197.09721	4.2
197.11652	3.7
197.13277	17.0
198.13947	4.1
199.11215	9.9
199.14845	10.8
201.12723	9.3
203.14343	27.5
205.10179	4.6
207.11717	13.7
207.13835	17.3
208.12463	4.9
208.14497	8.8
209.13286	16.2
209.15114	4.0
211.11191	10.9
211.14856	11.0
213.12773	9.8
213.16528	4.7
215.14323	7.3
219.11758	5.0
219.13843	9.3
220.12357	6.0
221.13260	13.0
221.15337	92.0
222.15790	5.9
223.11145	3.7
223.14857	6.3
225.12756	6.7
225.16251	5.5
227.14575	4.2
229.15958	4.1
233.13231	10.1
233.15340	19.2
234.13889	5.5
234.16045	11.3
235.14842	9.3
237.12730	7.4
237.14885	31.7
239.14317	6.4
241.15822	4.2
245.13232	4.9
247.14897	4.7
247.16997	12.0
248.14125	11.2
249.16353	8.0
255.17482	18.7
259.17099	4.5
261.16443	7.0
268.18225	4.4
270.19852	4.9
271.14505	3.9
271.17087	6.7
274.19403	22.0
279.17548	5.2
281.19022	5.4
282.19778	4.5
285.18625	8.8
286.19278	13.3
287.20044	13.7
291.14032	3.8
294.19751	6.2
295.20508	4.9
297.18649	4.9
299.20096	12.4
303.19559	50.1
309.18604	4.3
311.20148	5.8
312.20840	8.3
313.21689	20.3
319.20557	5.2
325.21667	15.5
329.59940	3.4
337.21582	11.6
352.23965	100.0
359.23572	4.0
365.24738	15.7
377.24783	10.5
383.26025	4.7
415.71036	4.1
454.30481	4.7
487.32397	4.4
502.34369	10.6
503.34869	5.3
505.32986	5.6
507.34546	12.7
508.35370	6.7
520.35651	49.0
567.37817	4.3
579.99390	3.7
582.40399	4.3
583.41632	5.0
600.41534	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.05513	17.7
56.93895	3.2
57.07062	10.7
59.04994	7.0
64.50910	3.6
67.05511	25.5
69.03413	18.0
69.07055	13.0
79.05495	28.4
81.07057	31.6
83.04990	17.5
83.08618	6.8
84.16115	3.8
85.06548	10.9
85.23786	4.0
89.06038	3.2
91.04977	6.0
91.05485	60.0
93.07044	54.0
95.04980	21.1
95.08622	29.1
97.06519	7.1
98.21529	9.6
100.45933	3.3
103.05480	3.4
105.07033	100.0
107.04935	4.5
107.08599	58.5
108.13498	3.3
109.06538	20.8
109.10148	19.2
111.08054	9.9
115.05453	7.1
117.07033	24.5
119.08595	83.4
120.08479	3.4
121.06485	22.2
121.10138	51.0
123.08071	25.2
123.11678	4.4
125.06017	6.5
125.09631	6.2
128.06229	14.2
129.07037	22.7
130.07784	10.6
131.08575	40.1
133.06474	11.2
133.10143	44.3
135.08060	25.0
135.11691	13.0
137.09587	20.5
139.07527	8.8
141.06970	10.8
142.07787	26.9
143.08571	55.6
144.09341	16.1
145.06480	9.1
145.10135	59.1
147.08018	37.3
147.11691	12.1
149.09583	20.5
151.07527	21.4
151.11214	5.5
152.06131	4.3
153.07008	6.4
155.08566	19.9
156.09311	20.6
157.08971	6.5
157.10143	79.9
158.10785	12.2
159.08070	16.4
159.11699	35.4
161.09648	27.7
161.13248	5.8
163.07513	4.9
163.11209	22.4
165.07008	8.1
165.09117	41.3
167.08534	10.2
167.10664	16.0
168.09331	10.5
169.10188	25.9
170.10880	9.1
171.07994	5.8
171.11707	41.4
172.12483	6.8
173.09621	15.6
173.13303	21.9
175.11182	26.8
175.14738	4.8
176.11914	4.8
177.12685	6.4
179.08542	12.6
179.10681	5.9
180.09279	6.6
181.10098	17.2
181.12215	16.0
182.10872	14.2
183.11702	26.1
185.09561	5.9
185.13228	22.8
186.13962	4.2
187.11157	11.7
189.12675	13.4
190.13489	8.7
191.14093	7.2
192.09383	5.3
193.10095	12.7
193.12257	14.4
194.10942	5.8
195.11696	34.1
195.13585	6.8
196.12473	10.8
197.09590	5.8
197.11708	4.9
197.13257	27.0
199.11128	7.7
199.14868	7.6
201.12704	8.6
203.14326	24.9
205.10309	5.2
206.10857	7.1
207.11719	23.1
207.13812	23.1
208.12445	7.0
208.14497	11.0
209.13434	18.8
209.15254	6.5
210.13991	5.8
211.11270	8.4
211.14865	4.2
213.12790	9.8
215.14247	5.7
217.15936	5.2
219.11780	7.7
219.13829	8.3
220.12402	4.8
220.14539	4.2
221.13208	12.6
221.15317	85.5
222.13969	6.0
222.15900	4.6
223.11238	6.1
223.14828	13.2
225.12770	8.4
225.16312	8.2
232.12440	4.9
233.13232	10.3
233.15364	17.3
234.14038	5.2
234.16199	11.0
235.14876	7.1
237.12672	9.0
237.14853	29.9
241.15826	5.5
246.13992	7.8
247.14757	6.9
247.16911	12.2
248.14030	5.1
249.16359	4.9
251.14282	8.7
253.15759	6.9
255.17470	18.4
257.15430	4.0
259.16968	9.0
261.16360	5.9
267.13806	4.1
270.19748	4.2
271.17032	7.4
271.50156	4.4
274.19321	13.9
275.18112	3.9
281.19006	7.2
285.18564	8.0
286.19290	17.9
287.20081	8.3
294.19916	7.0
299.20020	13.7
303.19635	34.8
307.20355	4.9
311.20108	6.9
312.20840	7.1
313.21533	14.1
319.20618	5.1
325.21631	42.2
331.20413	4.3
337.21378	4.9
352.23920	67.8
359.23593	6.3
365.24683	44.0
377.24832	7.0
383.25879	9.9
502.34503	10.2
503.34940	5.2
507.34680	28.0
520.35645	33.7
582.40057	8.4
583.41180	7.2
585.40039	5.6
600.41736	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.05503	17.0
57.07063	8.1
65.03931	7.0
67.05506	31.0
69.03422	18.3
69.07063	18.4
70.75890	11.0
73.02374	4.6
77.03913	4.3
79.05508	28.7
81.07060	47.5
83.04984	22.8
83.08604	7.9
85.06561	11.1
89.06059	5.3
91.05491	63.4
93.07055	70.6
95.04958	26.6
95.08617	34.0
97.06519	11.8
105.07034	100.0
107.04962	7.2
107.08595	52.3
109.06541	22.8
109.10165	26.3
111.08093	9.6
115.05417	5.4
117.07030	24.0
119.08583	96.3
121.06515	17.9
121.10149	59.4
122.07338	4.6
123.08112	27.1
123.11713	5.9
125.05993	10.2
125.09609	7.1
128.06227	16.6
129.07001	28.6
130.07793	16.4
131.08563	43.8
133.06509	12.3
133.10149	44.9
135.08064	33.8
135.11717	10.8
137.09627	20.4
139.07541	6.4
141.06981	14.0
141.47818	4.3
142.07773	29.8
143.08566	58.1
144.09319	16.6
145.06491	6.1
145.10138	84.2
147.08032	36.5
147.11674	15.4
149.09628	23.3
151.07536	17.7
151.11142	5.9
153.06993	4.5
154.07849	4.7
155.08548	21.9
156.09352	26.4
157.08951	8.6
157.10136	83.3
158.10939	17.8
159.08096	22.0
159.11688	54.0
160.08841	9.2
161.09630	27.4
161.13249	10.9
163.11176	15.0
165.07056	7.2
165.09103	44.2
167.08662	10.0
167.10687	15.4
168.09325	8.4
169.10132	28.9
170.10898	15.2
171.11665	41.2
173.09625	15.3
173.13280	18.5
174.10362	4.9
175.11176	30.5
175.14799	8.4
179.08553	12.6
179.10651	6.5
180.09332	6.0
181.10120	18.7
181.12204	12.2
182.10881	13.8
183.11713	34.5
185.09636	8.0
185.13280	30.5
186.14006	8.5
187.11221	11.9
187.14833	11.1
189.12772	13.0
190.13551	14.4
191.14359	7.0
192.09415	5.7
193.10150	14.7
193.12094	10.8
194.10681	5.5
195.11667	28.9
196.12410	7.6
197.09685	5.5
197.11642	5.7
197.13321	30.5
198.10364	5.1
199.11180	15.1
199.14822	15.4
201.12735	12.0
203.14407	34.5
206.10970	9.0
206.59412	4.5
207.11671	18.9
207.13800	20.1
208.12488	10.9
208.14548	11.8
209.13306	23.6
211.11163	9.8
211.14824	20.2
213.12804	12.5
213.16438	5.5
214.13406	5.5
215.14247	6.5
217.10211	5.6
219.11797	6.5
220.12468	6.8
221.13237	20.2
221.15367	90.1
222.13864	5.6
223.14809	17.1
225.12701	10.1
225.16405	8.1
227.14285	5.7
231.11740	5.0
232.12474	6.9
233.13286	10.4
233.15387	23.3
234.16145	10.7
235.14813	17.2
237.12752	8.8
237.14690	37.3
246.16223	5.3
247.16949	17.7
248.14058	9.5
249.16501	8.1
253.16000	7.0
255.17363	36.2
259.17108	5.8
261.16364	10.8
263.17993	6.8
270.19769	7.0
271.17007	5.0
274.19217	13.9
275.17703	6.6
281.18875	6.8
285.18637	8.8
286.19321	16.2
287.20010	14.3
294.19586	10.8
295.20474	5.5
297.18750	5.2
299.20059	15.1
303.19559	55.7
311.20111	7.3
313.21774	10.4
325.21646	15.7
337.21683	8.3
347.23889	5.9
352.23959	95.2
353.24307	6.0
365.24677	29.2
420.30093	4.9
439.27985	4.8
502.34030	10.4
503.35825	8.9
505.32767	8.6
507.34552	16.5
508.35071	6.3
520.35364	49.0
585.39532	6.6
600.41302	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51698	2.7
51.02386	3.0
51.98886	2.3
53.03953	5.1
55.05507	10.5
57.07066	10.8
59.05010	3.1
59.39053	2.4
67.05509	15.7
69.03431	15.3
69.07060	11.6
69.42705	20.3
75.88834	2.7
79.05500	30.4
81.07066	30.4
83.04975	12.0
83.08617	5.1
83.68365	2.6
84.09013	2.4
85.06554	5.9
91.05483	43.3
93.07047	53.4
95.04977	13.1
95.08614	28.6
97.06517	4.4
98.14820	2.4
103.05449	4.4
105.07039	75.6
106.07800	3.7
107.04984	3.6
107.08603	43.4
109.06535	19.8
109.10147	10.8
111.08056	4.2
115.05438	5.7
117.07011	20.3
119.04940	2.6
119.08589	64.1
121.06499	12.5
121.10142	42.4
123.08055	21.1
123.11707	2.7
125.06014	5.1
125.09635	6.6
128.06244	11.3
129.07001	22.1
130.07764	7.9
131.08575	37.9
132.09366	3.9
133.06500	6.9
133.10129	32.6
135.08063	20.8
135.11728	13.1
137.05998	4.8
137.09633	11.1
141.07018	6.9
142.07802	28.0
143.08563	52.3
144.09335	13.4
145.10129	50.5
147.08067	28.3
147.11707	13.7
149.09648	18.6
151.07510	14.7
151.11157	3.8
154.07819	3.1
155.08553	18.3
156.09346	17.7
157.10135	64.3
158.10887	8.4
159.08037	14.0
159.11700	37.0
161.09610	17.0
161.13303	3.7
163.11206	17.2
165.07008	5.3
165.09111	42.8
167.08537	7.7
167.10741	14.6
168.09372	7.5
169.10165	23.0
170.10945	8.8
171.08095	3.4
171.11696	27.6
172.12448	7.1
173.09644	9.2
173.13319	16.8
174.10306	4.9
175.11194	25.6
175.14746	5.5
177.09111	3.1
177.12764	3.7
179.08540	9.3
179.10587	4.2
181.10135	14.4
181.12234	10.4
182.10982	6.1
183.11732	22.6
184.12346	8.1
185.09630	3.8
185.13292	17.1
186.13910	5.1
187.11133	8.4
187.14871	4.6
189.12752	10.9
190.13519	11.8
191.14325	4.9
193.10181	15.1
193.12259	10.1
194.11037	6.6
195.11740	22.9
196.12503	6.3
197.09616	5.1
197.11644	5.1
197.13332	19.1
198.14125	2.7
199.11086	6.7
199.14778	6.3
201.12764	8.2
203.14359	24.2
205.10086	4.5
206.10966	4.3
207.11684	11.0
207.13794	15.9
208.12624	5.8
208.14595	9.2
209.13254	18.4
209.15292	5.6
210.14047	3.6
211.11250	5.2
211.14842	9.8
212.11836	3.0
213.12787	7.1
215.10660	4.2
215.14142	3.4
217.10217	3.9
217.12238	3.0
219.11728	5.6
219.13780	6.4
220.12440	6.4
221.13330	8.6
221.15373	88.8
222.13916	4.3
223.11270	5.2
223.14841	6.0
225.12744	8.9
225.16280	4.2
227.14386	6.4
231.11722	3.4
231.13905	5.1
232.12543	3.1
233.13249	7.7
233.15382	18.4
234.16139	16.8
235.14836	10.2
235.16939	3.3
237.12735	7.3
237.14752	40.1
241.15866	4.3
245.13200	4.4
246.14070	3.3
247.14839	5.2
247.16995	9.8
248.13957	15.0
249.16396	6.1
253.15883	8.7
255.17499	18.4
257.15237	4.0
259.17084	3.4
261.16382	11.1
262.57828	3.0
265.15671	2.7
267.17484	7.0
269.18991	2.8
270.19739	10.1
271.16928	6.1
273.18658	4.6
274.19336	15.7
275.17804	2.6
278.24948	2.5
279.17511	4.3
279.21133	2.4
281.19012	9.1
284.21210	3.1
285.18512	8.4
286.19257	14.6
287.20065	9.1
294.19748	6.6
295.20587	6.9
297.18503	7.1
299.20139	16.6
303.19562	58.4
304.44583	2.8
307.20502	2.7
311.19751	3.3
312.20908	6.2
313.21722	14.5
322.22772	4.4
325.21713	12.8
337.21588	15.7
352.23987	100.0
365.24777	23.2
377.24899	5.2
378.25800	3.1
383.25867	6.5
420.30481	4.2
487.31912	5.5
502.34247	12.7
503.35101	10.9
505.32986	7.4
507.34570	13.2
508.34793	4.1
520.35583	47.4
583.41528	4.3
585.39563	7.0
600.41376	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07108	3.8
50.42044	3.9
53.03949	5.8
55.05512	18.8
55.62530	3.3
57.07067	13.8
57.45973	3.7
59.04987	5.2
59.97589	4.0
67.05510	27.7
69.03420	12.3
69.07074	17.6
70.75308	7.6
70.75708	9.4
71.05009	4.7
79.05490	35.9
81.07047	37.1
83.04985	16.7
85.06548	10.9
91.05477	56.3
93.07050	59.6
93.56629	3.8
95.04961	20.4
95.08609	37.3
97.06522	11.0
105.07037	100.0
106.07839	4.3
107.04993	5.2
107.08601	60.3
109.06544	20.9
109.10160	19.7
111.08108	5.6
115.05466	8.7
116.06232	4.8
117.07004	21.8
119.08582	79.9
121.06489	18.3
121.10164	48.1
121.13387	3.8
123.08076	31.8
123.11726	4.1
125.05984	6.3
125.09633	8.8
128.06227	17.1
129.07002	26.4
130.07785	14.2
131.08589	38.4
133.06491	11.8
133.10129	45.0
135.08055	22.5
135.11688	14.6
137.09590	20.3
141.06975	9.8
142.07770	31.1
143.08571	45.7
144.09354	18.4
145.06467	5.9
145.10133	60.8
147.08040	35.4
147.11700	17.7
149.09628	23.7
151.07584	19.5
153.07031	5.2
154.07784	4.5
155.07397	3.6
155.08490	19.2
156.09370	27.6
157.10133	80.2
158.10895	14.3
159.08055	15.5
159.11684	39.4
161.09663	26.7
161.13249	6.8
163.11203	19.2
165.06993	7.2
165.09116	37.4
166.07840	4.2
167.08591	13.3
167.10690	17.0
168.09401	4.4
169.10127	30.3
170.10916	17.3
171.11725	35.1
172.12469	8.1
173.09639	12.7
173.13240	20.1
174.10526	4.6
175.11183	29.6
175.14853	5.6
177.09187	3.9
177.12695	4.9
179.08513	11.5
179.10657	5.7
180.09322	7.5
181.10129	16.2
181.12241	10.6
182.10866	14.2
183.11656	23.6
184.12488	7.8
185.09564	8.1
185.13277	26.4
186.13976	6.6
187.11281	8.0
187.14912	5.0
188.11942	5.5
189.12794	15.6
190.13564	10.2
191.10739	5.8
191.14380	5.6
192.09367	5.3
193.10152	12.3
193.12233	9.5
194.10873	4.8
195.11662	30.1
196.12570	9.3
197.09671	5.8
197.11705	5.9
197.13246	21.5
198.10419	5.6
199.11169	13.4
199.14877	8.8
201.12753	14.4
202.04164	3.8
203.14302	27.7
205.10127	4.0
206.10764	9.6
207.11700	16.4
207.13811	19.5
208.12500	8.0
209.13274	25.1
209.15070	5.8
211.11177	9.3
211.14847	15.7
213.12819	14.4
215.14331	6.8
218.16493	4.9
219.11766	8.9
219.13715	7.5
220.12477	5.7
221.13268	20.2
221.15378	86.9
223.14787	12.6
224.15503	3.8
225.12749	6.6
225.16389	10.0
229.12122	6.3
229.15840	6.2
233.13339	9.6
233.15294	23.1
234.16087	14.9
235.14804	11.4
235.16986	4.6
237.12698	9.8
237.14526	27.6
239.14323	4.4
246.13959	5.8
247.14754	9.3
247.16986	11.8
248.14189	10.0
249.16356	8.0
253.15839	6.7
255.17435	26.0
261.16373	9.3
262.16916	6.0
263.18060	4.9
269.19098	5.2
270.19659	9.0
271.16998	9.7
273.18613	6.9
274.19244	12.6
275.39700	4.9
277.16095	4.0
279.17542	9.1
281.19052	7.9
285.18607	8.6
286.19193	13.0
287.20090	12.6
294.19702	7.0
295.20471	6.3
299.20065	15.3
303.19543	47.4
307.20480	4.1
310.19147	4.3
313.21680	12.9
325.21643	16.5
337.21518	11.8
352.23969	97.5
365.24841	24.6
377.24869	5.1
383.25983	7.9
487.31552	5.6
502.34290	12.0
503.35400	9.0
505.32901	5.3
507.34900	11.4
508.34903	10.6
520.35498	45.2
585.39630	6.7
600.41522	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	2.7
51.02383	2.6
53.03948	6.7
55.01874	2.9
55.05515	19.2
56.81885	2.1
57.07066	9.5
59.04994	3.1
65.03940	7.7
67.05515	34.2
69.03436	12.2
69.07071	24.5
69.91985	5.8
69.92377	5.1
71.04993	8.3
71.08636	3.4
79.05496	45.8
81.07059	47.4
83.04985	21.6
83.08632	15.3
85.06547	7.7
85.10138	2.8
87.04507	3.4
89.06044	17.0
91.04907	3.3
91.05482	62.5
93.07048	71.6
94.08020	2.1
95.04977	26.5
95.08614	38.7
96.05766	2.1
97.06541	16.9
97.10188	2.7
98.21486	2.6
99.08028	2.1
103.05468	6.3
105.04509	4.9
105.07038	100.0
107.04963	5.6
107.07876	4.9
107.08601	75.7
109.06539	24.2
109.10162	34.1
111.08068	8.6
113.09643	4.2
115.05443	9.9
116.06253	5.8
117.07037	29.4
118.07884	2.9
119.04967	2.8
119.08595	94.9
121.06514	18.3
121.09339	4.6
121.10153	58.9
123.08058	30.9
123.11702	9.4
125.09639	16.9
126.52209	2.2
128.06238	22.9
129.07014	34.2
130.07805	13.1
131.08578	53.9
133.06473	8.3
133.08588	10.1
133.10135	55.0
135.08066	20.7
135.11688	10.4
137.09644	16.2
139.11195	5.4
141.06979	14.9
142.07793	39.1
143.08578	60.6
144.09346	15.4
145.06473	5.0
145.10133	85.1
146.10818	4.9
147.04523	2.3
147.08054	16.5
147.11693	25.6
148.08765	2.4
149.09627	16.9
151.07562	7.8
153.07019	7.2
154.07750	4.7
155.08571	29.0
155.10646	12.6
156.09352	28.5
157.10143	79.4
158.10953	15.2
159.08087	27.5
159.11690	55.4
160.08888	5.8
161.09628	18.8
161.13286	9.5
163.11208	9.1
165.07002	8.4
165.09143	8.8
166.07816	5.8
167.08571	15.1
167.10677	23.8
168.09315	7.3
169.10147	39.1
170.10938	11.8
171.08040	3.5
171.11688	50.9
172.08884	2.5
172.12473	6.3
173.09647	12.5
173.13263	28.5
174.10402	4.4
175.11221	19.8
175.14857	8.6
177.11278	5.4
177.12701	4.6
178.07701	3.5
179.08537	15.7
180.09317	10.1
181.10155	25.3
181.12251	5.3
182.10928	15.9
183.11707	40.6
184.12482	5.5
185.09627	7.9
185.13251	35.3
186.10440	2.8
186.14040	5.2
187.11163	9.3
187.14833	9.1
189.12737	10.6
190.13556	7.7
191.14322	8.9
192.09355	8.8
193.10127	17.0
193.11800	2.9
194.10954	10.9
195.11691	38.2
196.12514	11.0
197.09669	3.9
197.13269	35.2
199.11172	8.1
199.14828	21.2
201.12752	9.2
201.16429	3.6
203.14331	14.1
205.10229	5.7
205.97551	2.4
206.10959	10.3
207.11691	18.0
207.13640	4.4
208.12444	12.4
208.14294	2.2
209.13275	29.2
209.15166	3.6
210.14001	8.5
211.11252	7.7
211.14835	21.4
212.11990	3.7
212.15541	3.1
213.12775	16.5
213.16420	9.1
215.14301	7.4
217.10124	3.0
217.12195	2.9
217.15929	3.7
218.10948	4.3
218.16673	2.4
219.11833	11.3
219.13724	3.5
220.12454	6.3
221.13275	16.8
221.15366	20.7
222.13908	6.2
223.11339	2.9
223.14844	19.9
224.15599	2.9
225.12793	11.3
225.16406	9.8
227.14290	8.8
227.17964	3.5
229.10182	2.7
229.15828	3.9
231.11717	9.1
231.17429	2.8
232.12471	4.5
233.13216	9.4
233.15384	31.9
234.14021	4.5
234.16090	6.1
235.14804	13.4
237.12779	4.8
237.16447	17.0
239.14363	6.1
239.18024	6.4
241.15979	5.5
244.12604	2.9
245.13155	5.6
246.14032	3.1
246.16243	4.2
247.14838	9.4
247.16890	5.5
248.15454	3.9
249.16458	11.1
251.14394	2.7
251.18016	7.2
253.15948	7.4
253.19466	4.6
255.17482	44.1
257.13309	3.9
257.19016	3.1
258.14081	3.4
259.14871	7.2
260.15649	3.4
261.16379	11.0
263.18021	7.2
265.16028	4.0
265.19495	6.7
268.17935	3.1
269.19016	8.6
270.19839	5.9
273.16046	3.8
273.18506	7.2
275.17883	4.9
277.19464	4.3
279.17508	5.2
281.19031	12.9
283.20557	3.4
285.18616	6.7
287.20233	4.2
289.19513	5.0
291.17273	3.4
295.20676	7.9
297.18643	4.0
299.20096	9.4
307.20490	5.4
308.21298	3.2
329.22568	4.0
333.22284	2.9
345.22241	2.6
347.23621	8.0
352.24066	2.9
360.24307	4.5
361.25421	3.0
365.24719	7.1
383.26001	6.9
430.44934	2.5
485.74411	2.6
520.35742	4.4
567.38599	5.5
582.40875	3.6
600.41754	13.8
603.66791	2.6
605.04614	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01307	2.3
53.03956	2.7
54.86611	2.0
55.05503	6.0
57.07082	10.2
59.05008	4.2
67.00598	2.0
67.05503	10.0
69.03423	8.5
69.07076	4.3
70.75882	5.7
79.05495	12.1
81.07051	15.9
83.04988	7.4
83.08649	3.2
85.06520	3.5
91.05489	18.9
91.67580	1.9
93.07040	25.6
95.04974	7.7
95.08611	19.2
97.06544	3.6
100.62807	2.4
105.07034	36.7
107.08618	20.1
109.06538	10.3
109.10165	6.1
111.08185	3.0
115.05427	2.6
117.01191	2.0
117.07021	12.3
119.04953	2.6
119.08597	48.5
121.06513	5.2
121.10151	18.9
123.08083	15.4
123.11639	2.7
125.05988	8.6
128.06204	3.3
129.07022	9.7
130.07779	3.1
131.08589	16.2
133.06508	5.1
133.10143	18.0
135.08070	13.0
135.11700	4.8
137.09612	13.7
139.07570	2.2
141.87076	2.1
142.07791	8.1
143.08572	18.8
144.09352	5.0
145.06523	2.0
145.10133	28.8
147.08075	24.0
147.11726	5.9
148.08755	2.5
149.09641	10.0
151.07568	12.1
151.11302	2.4
155.08554	8.7
156.09358	7.1
157.10143	31.2
158.10895	4.2
159.08055	3.7
159.11707	20.1
161.09621	7.0
161.13252	5.8
163.07478	2.2
163.11195	16.3
165.09126	38.1
166.09479	6.4
167.08601	3.1
168.09331	3.4
169.10106	8.0
170.10747	2.4
171.11699	12.4
172.12207	2.0
173.09641	6.9
173.13268	6.0
175.11217	21.0
176.77274	2.0
179.08557	4.7
180.11516	3.3
181.10164	6.2
181.12233	18.6
182.11003	4.9
183.11717	9.9
184.12408	3.2
185.09695	2.8
185.13312	8.2
187.11145	4.1
187.14836	2.4
189.12752	8.5
190.13530	7.9
191.10703	5.6
191.14311	2.8
193.10315	3.9
193.12257	10.0
194.10942	3.6
195.11717	7.8
195.13739	2.5
196.12474	4.2
197.13292	7.6
199.11230	5.6
201.12769	7.2
203.14330	16.1
204.14677	3.5
207.11732	5.6
207.13826	8.8
208.14565	8.2
209.09880	2.4
209.13310	5.3
211.14902	6.0
212.15379	2.7
213.12613	4.6
215.10703	2.8
216.15141	3.4
219.11755	3.2
219.13849	7.0
220.12300	2.8
221.13408	4.0
221.15373	100.0
222.15747	16.0
223.11313	4.4
223.14847	3.2
225.12750	4.4
225.16429	3.1
227.14366	5.0
233.15331	3.9
234.16150	18.8
235.14761	4.4
237.12798	5.9
247.16962	36.6
248.17484	4.6
251.14413	2.8
259.16998	5.3
265.15665	2.4
267.17459	2.1
269.15347	3.5
271.17044	3.4
274.19370	13.4
275.17841	3.5
275.25162	2.2
281.18927	2.3
285.18445	2.9
286.19284	2.4
287.20126	13.2
297.18433	3.2
299.20111	19.2
311.19934	3.1
312.20795	8.2
313.21530	7.8
314.94135	2.3
319.66592	2.3
325.21555	14.4
337.21597	4.7
339.23129	6.7
340.23990	19.4
352.23962	29.7
365.24930	4.1
366.25452	6.1
379.26459	4.2
387.25217	5.3
392.26813	5.4
400.25995	4.8
413.26834	4.3
419.29379	12.8
419.87927	2.6
420.30386	4.6
425.26724	5.7
426.27457	5.7
427.28348	14.2
440.29303	51.2
442.30438	4.0
493.32834	2.9
507.33914	3.4
508.35358	7.7
520.35590	32.7
521.36792	3.5
585.39252	5.0
600.41675	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.05516	7.8
56.55206	1.4
57.07078	13.6
59.05009	3.2
65.03934	1.8
66.32575	1.5
67.05496	11.3
69.03437	9.3
69.07069	7.1
69.75129	2.3
69.75544	5.6
71.05016	1.6
77.03900	1.5
79.05504	16.4
80.06279	2.2
81.03403	1.7
81.07050	19.5
83.04978	6.6
83.08625	3.6
85.06538	5.0
89.06026	3.3
91.05481	27.3
92.06274	1.7
93.07049	33.6
95.04974	9.3
95.08611	21.0
97.06530	5.1
98.20804	2.6
105.07030	50.6
107.08590	23.5
109.06521	13.0
109.10194	7.2
111.08053	2.0
115.05476	3.4
116.06250	1.7
117.07018	13.8
119.04926	1.4
119.08585	57.6
120.09399	1.7
121.06507	7.8
121.10147	22.5
122.07288	2.4
123.08075	19.3
123.11704	1.8
125.06005	10.9
128.06230	5.2
129.07007	10.2
130.07777	5.1
131.08560	25.4
132.09325	2.5
133.06502	3.3
133.07635	1.3
133.08606	3.2
133.10130	20.7
134.10909	1.5
135.08063	18.1
135.11697	9.1
136.08833	2.0
137.06032	2.4
137.09636	13.7
139.07532	3.5
141.07002	4.1
142.07779	9.7
143.08575	19.4
144.09332	6.2
145.06470	1.7
145.10127	40.9
147.08058	33.8
147.11725	7.1
148.08684	2.3
149.09616	12.9
150.10370	2.3
151.07549	12.9
151.11197	2.2
155.08566	9.8
156.09389	7.9
157.10144	36.9
158.10844	4.1
159.08043	6.1
159.11711	21.8
160.08847	3.2
161.09621	10.8
161.13264	7.4
162.10422	2.4
163.11192	17.3
165.06931	3.5
165.09123	50.9
166.07803	2.4
166.09444	2.7
167.08551	6.9
168.09309	3.4
169.10132	15.4
170.10881	5.1
171.08131	2.6
171.11710	20.6
172.08746	2.3
172.12386	4.5
173.09630	9.8
173.13292	9.4
175.11198	20.8
175.14886	2.5
177.09119	4.4
178.09869	1.7
179.08551	4.1
179.10603	2.1
179.14305	1.4
180.09247	2.2
180.11444	2.4
181.10344	7.7
181.12209	18.1
182.10986	3.2
183.08102	1.9
183.11662	16.3
184.12494	3.9
185.09604	4.7
185.13269	11.0
187.11256	6.7
187.14772	2.4
188.11871	2.0
189.09073	1.4
189.12720	6.6
190.13490	10.8
191.10683	5.7
191.14284	2.7
192.09375	1.7
192.11333	1.6
193.10168	5.2
193.12236	14.8
194.10994	3.2
195.11702	11.2
195.13603	2.3
196.09120	1.5
196.12453	5.0
197.09615	1.4
197.13263	12.0
199.11127	7.0
199.14824	4.1
200.11964	1.9
201.12740	8.5
203.14287	21.0
204.14822	2.4
205.10193	2.2
207.11682	5.0
207.13808	12.1
208.12502	3.4
208.14600	8.0
209.13307	9.2
209.15097	2.2
210.13922	2.5
211.11267	3.8
211.14784	9.1
212.11981	1.8
212.15582	1.9
213.12793	4.8
213.16396	1.9
214.13460	1.9
215.14311	2.8
218.12872	1.7
219.11728	2.7
219.13773	8.6
220.12473	2.0
221.13390	5.4
221.15359	100.0
222.15833	7.9
223.11226	2.5
223.14880	4.8
225.12767	4.4
225.16273	3.1
227.14308	3.8
229.12172	2.5
229.15826	3.2
231.11653	2.2
231.13823	2.5
233.13260	3.7
233.15436	4.4
234.16144	20.9
235.14819	2.1
235.17004	1.5
237.12749	4.3
237.16292	2.8
239.14296	3.5
239.18010	1.5
241.15923	4.4
241.48430	1.4
243.13802	2.8
247.14598	3.3
247.16951	33.9
248.15463	1.9
248.17853	2.9
249.16492	1.5
251.14384	3.3
251.17834	2.0
253.15738	3.4
255.13937	1.5
257.15527	1.6
259.17017	5.1
261.18582	1.9
263.18201	2.0
265.15973	2.0
271.17001	4.1
272.17834	1.8
274.19373	15.0
279.17526	2.0
281.19171	2.3
285.18613	2.9
286.19424	3.9
287.20135	11.7
293.15466	1.9
293.18661	1.8
295.19858	1.6
297.18500	3.6
299.20081	18.2
300.20786	4.6
309.18729	2.2
310.19205	3.1
311.20041	4.9
312.20743	5.6
313.21661	7.4
319.20453	2.5
325.21591	12.3
327.23212	2.9
333.22037	2.0
337.21631	6.2
339.23141	4.5
340.23947	16.1
351.23340	1.9
352.23981	28.1
365.24771	7.0
366.25476	4.3
377.24927	2.1
379.26447	3.8
387.25385	7.0
390.25888	1.5
391.26303	4.2
392.26974	2.8
400.26227	1.9
413.26816	5.8
419.29498	9.6
420.30219	3.8
425.26727	10.3
426.27679	4.4
427.28574	14.9
440.29199	47.8
442.30859	4.5
454.30655	2.0
494.34497	2.1
505.32858	2.3
507.34683	2.5
508.35309	4.9
520.35553	30.1
567.38519	3.0
585.39331	3.8
600.41693	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01876	1.5
56.98062	0.6
57.03441	1.3
61.02927	2.3
63.39854	0.6
64.17647	0.7
65.03942	2.0
67.05521	1.0
69.03433	3.2
69.77925	0.6
70.94534	1.5
79.05508	0.6
81.03424	1.7
81.07059	1.5
85.02909	18.4
91.05487	100.0
92.14494	0.6
97.02900	6.0
105.07026	2.5
107.04923	0.8
107.08582	0.7
109.02883	1.7
119.04884	0.8
121.02888	1.0
127.03945	4.7
128.24403	0.7
131.04950	1.2
133.06523	1.3
137.05992	4.2
138.06367	1.0
140.04559	0.6
145.02811	0.7
145.04964	7.2
147.04439	1.3
147.11700	1.3
151.03909	16.9
151.04944	0.8
152.04285	2.0
153.01855	6.0
157.06500	0.8
161.05983	1.9
163.03975	1.1
163.06104	1.2
165.09331	0.6
165.12798	0.7
167.07043	2.8
177.05452	1.0
181.04988	1.9
182.05334	0.8
190.37500	0.7
193.08662	2.0
205.08678	0.6
209.08090	0.7
211.09683	1.1
212.10216	0.6
241.08623	3.1
251.09161	1.1
252.09497	0.6
252.84444	0.6
259.09674	6.1
267.15808	0.6
279.00882	0.5
279.35785	0.6
287.05515	9.9
288.05762	1.2
295.08209	0.6
297.06131	0.6
311.15021	1.4
374.13342	0.7
385.18671	1.3
395.03607	0.7
403.13953	1.4
403.19324	1.1
404.14459	1.7
438.44357	0.6
600.20776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	1.7
51.89902	1.6
53.03938	4.5
55.01862	1.7
55.05511	28.9
57.03423	7.0
57.07061	7.6
65.03941	3.1
67.05507	71.6
69.07073	25.6
71.04976	2.2
71.08628	3.6
71.50558	3.0
73.42510	2.1
76.71427	1.8
79.05495	38.9
81.07056	72.7
82.07372	1.8
83.04955	3.5
83.08630	14.7
83.49895	1.7
85.06532	2.0
91.05484	32.6
93.07049	45.6
95.04965	5.6
95.08612	63.4
97.06527	4.4
97.10165	6.7
98.09409	1.7
105.07034	30.5
107.08604	28.8
109.06507	3.6
109.10154	30.3
110.31936	1.5
117.07018	11.8
119.07827	2.6
119.08590	30.9
121.10143	31.9
123.08047	2.4
123.11723	13.6
125.09594	2.6
129.06995	5.0
131.08559	22.2
133.10127	24.9
135.08075	2.6
135.11688	16.0
137.13255	3.0
143.08537	7.9
145.10124	25.6
147.11671	16.7
149.09668	2.1
149.13248	9.4
151.14845	1.8
155.08563	3.0
157.10132	7.3
159.11725	19.1
161.13242	11.1
163.14810	5.8
169.10078	2.7
171.11691	7.4
173.13245	7.5
175.14835	6.4
183.11667	3.5
185.13252	4.9
187.14818	6.7
189.16380	3.5
197.13326	1.9
199.14786	4.1
201.16400	3.2
203.17937	2.7
211.14778	1.8
215.17970	3.1
233.04344	1.9
243.21010	2.0
245.19092	3.8
245.22542	1.7
247.20561	6.0
255.21140	2.3
259.20557	5.5
261.22214	5.6
294.73911	1.9
315.23206	1.9
317.24573	2.2
321.24182	8.5
323.25729	4.7
333.24500	2.3
335.25778	6.7
337.27234	4.0
341.28381	2.8
450.94592	1.9
507.41666	4.3
525.42596	5.4
529.39221	2.4
581.45660	11.8
599.46698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	1.4
53.03923	4.3
55.01855	2.4
55.05517	25.2
57.03410	4.9
57.07080	6.7
59.04985	1.6
60.15701	1.2
61.92561	1.2
65.03915	4.3
67.05508	89.4
69.07073	30.3
71.04974	2.2
71.08598	3.6
79.05499	48.8
81.07063	92.6
83.04953	1.8
83.08627	18.1
85.06523	3.1
91.05491	33.1
93.07050	54.7
95.04919	2.2
95.08612	79.3
97.06530	3.0
97.10172	8.5
98.20753	3.8
99.08083	2.5
103.20275	1.5
105.07037	35.1
107.07915	1.9
107.08599	34.6
109.06463	2.4
109.09503	2.2
109.10162	30.2
111.08049	3.4
111.11707	2.0
113.09596	1.7
115.05415	2.1
117.07025	10.7
119.08588	28.9
121.09367	2.1
121.10149	28.8
122.10386	1.8
123.11719	13.5
125.09586	3.9
129.06953	4.3
131.08577	21.2
133.10138	25.8
135.11696	21.0
137.13194	5.7
139.11194	2.5
141.06903	1.7
143.08582	6.5
145.09074	1.8
145.10115	24.2
147.11693	19.7
149.09595	1.8
149.12146	1.5
149.13234	10.0
151.14720	1.8
155.08531	3.0
157.10120	9.1
159.10506	1.6
159.11722	18.4
161.13274	12.7
163.14784	4.9
169.10069	3.2
171.11717	6.3
173.13271	10.6
175.14873	6.5
177.16386	2.7
183.11668	2.7
185.13327	6.9
187.14836	7.0
189.16292	4.8
197.13232	2.3
199.14752	5.4
201.16295	3.6
203.17892	1.3
211.14816	1.5
215.17812	1.9
217.19408	2.1
225.16225	2.0
227.17863	3.6
229.19411	2.0
241.19495	2.3
243.21054	2.5
245.18913	3.9
245.22423	1.7
247.20607	6.5
247.23517	1.2
252.49908	1.3
259.20541	3.2
261.22186	8.5
263.23553	4.4
265.25104	1.3
273.22079	1.5
277.21646	2.1
295.22601	1.3
299.23526	2.1
301.25073	1.8
317.24576	2.3
319.22461	3.4
321.24405	8.3
323.25662	5.3
327.26950	1.5
333.24139	3.3
335.25922	8.2
337.27036	4.2
492.05554	1.6
503.37051	2.7
507.41718	6.3
525.42450	5.0
581.45874	10.5
599.46808	100.0
600.47089	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01869	2.3
55.05519	11.8
57.07072	9.5
59.05008	4.6
65.03925	2.5
67.05508	21.3
68.57297	1.5
69.03437	12.3
69.07074	9.5
69.85714	7.1
71.05025	1.9
71.08694	1.4
79.05497	21.1
81.03426	2.4
81.07063	24.7
83.04987	14.6
83.08632	5.5
85.06548	5.3
91.05486	30.7
91.06030	2.4
93.07045	36.2
95.04974	14.4
95.08601	15.0
97.06564	7.3
98.21457	2.2
103.05476	3.3
105.04537	1.8
105.07034	47.5
105.07692	3.4
107.04969	2.7
107.08600	37.5
109.06507	13.7
109.10151	13.3
111.04453	1.7
111.08111	2.3
115.05497	5.2
116.06211	1.8
117.07037	11.1
119.08587	51.1
121.06508	10.8
121.10148	38.0
123.08068	16.7
123.11688	3.8
125.06023	2.9
125.09637	6.7
128.06224	9.2
129.06996	15.1
130.07771	3.3
131.08582	23.3
133.06520	5.3
133.10123	25.7
133.10974	2.1
135.08038	14.6
135.11674	9.8
137.09569	9.9
139.07552	2.8
139.11215	2.2
141.07030	5.5
141.38263	1.6
142.07822	13.7
143.08559	28.7
144.09358	8.1
145.06572	1.7
145.10123	31.4
146.07307	2.3
146.10953	2.3
147.08064	18.9
147.11717	7.5
149.09637	13.7
151.07567	14.0
151.11137	2.6
153.01837	1.9
153.06973	4.5
153.09113	2.7
154.07683	1.7
155.08592	10.4
155.10646	2.1
156.09367	12.6
157.10126	35.0
158.10941	3.8
159.08063	12.4
159.11697	20.8
161.09628	9.3
161.13307	4.8
163.11208	9.6
165.07008	5.8
165.09123	26.5
167.08629	5.9
167.10722	14.9
168.09372	5.2
169.10126	24.8
170.10938	6.6
171.08090	3.3
171.11700	21.0
173.09695	7.0
173.13237	13.8
175.11234	6.0
175.14859	4.0
177.09192	3.7
177.12779	2.5
179.08626	5.9
179.10675	1.5
180.09357	4.5
181.10168	13.7
181.12247	3.5
182.10890	7.7
183.11694	18.9
185.09665	4.7
185.13293	9.9
187.11157	4.3
187.14868	2.7
189.12784	9.5
191.10683	1.8
191.14302	3.6
192.09358	3.9
192.11436	1.7
193.10205	10.3
193.12317	2.4
194.10974	6.8
195.11720	14.9
196.12531	4.7
197.09746	3.2
197.13225	13.1
198.10445	1.7
199.11287	5.0
199.14885	5.4
201.12823	3.9
201.16455	2.7
203.10748	1.6
203.14363	9.8
205.10182	3.5
206.10950	4.7
207.11755	10.8
207.13893	10.5
208.12552	4.7
209.09894	1.9
209.13329	11.9
209.15263	3.5
210.14134	3.1
211.11288	2.5
211.14856	6.9
213.12801	4.0
215.14417	6.5
217.12260	2.8
217.16034	2.2
219.11821	3.6
220.12628	3.1
221.13329	10.5
221.15460	45.4
223.11266	2.7
223.14790	8.6
225.12794	4.8
225.16478	5.2
227.14391	2.5
231.11737	3.2
233.13271	6.7
233.15367	35.9
234.13982	2.1
235.14894	6.3
237.12784	2.0
237.14694	3.0
237.16731	2.9
239.14279	2.1
239.18016	2.8
243.11662	2.3
245.13275	3.9
246.14078	2.2
247.14871	4.1
247.17155	3.3
248.15767	1.8
249.16473	3.9
251.14455	2.4
251.18073	2.5
253.16032	2.2
258.14154	2.3
259.14789	3.1
261.16397	3.6
263.14417	2.3
263.18024	3.1
267.17557	2.4
269.19009	2.9
273.18741	3.7
281.19058	9.0
286.19354	3.8
287.20477	3.3
289.19543	2.5
293.19147	1.9
295.20627	2.2
299.20193	5.1
312.20853	4.2
335.20169	2.1
351.23581	1.7
364.23782	3.3
365.25052	3.2
373.25522	3.9
377.25006	2.7
391.26361	5.6
415.29654	1.8
437.05206	2.2
441.30099	2.6
489.33676	5.2
493.33264	3.3
507.34717	75.5
581.40454	7.6
599.41034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1398
Annotation	Pterogynoside
Peak:m/z	Relative Intensity
50.38343	0.5
53.03947	1.3
55.01868	0.8
57.03427	0.5
60.83786	0.4
61.67113	0.4
63.54721	0.4
65.03941	2.7
67.05499	1.5
69.03416	1.8
70.77833	0.6
70.78173	0.8
81.03420	5.2
81.07058	0.6
85.02939	1.0
88.17438	0.4
91.05478	0.6
93.03418	3.1
95.04948	0.7
97.02904	2.3
107.04964	0.7
108.01474	0.4
108.02091	2.7
109.02892	2.2
110.03704	0.7
111.04461	1.8
112.01562	0.6
119.04994	0.7
121.02875	1.0
123.04453	1.2
125.06015	2.7
127.03923	1.0
137.02379	0.6
137.05957	1.3
140.19598	0.5
141.05473	1.9
147.04387	1.5
151.03920	100.0
151.05023	8.7
152.04353	0.8
153.01831	2.8
160.91229	0.4
163.03899	0.8
165.01859	1.1
167.07037	1.0
168.67178	0.5
169.04991	8.0
175.04083	0.5
179.06992	0.5
181.04956	1.1
183.02969	0.5
207.06706	0.5
213.05420	0.5
241.05084	0.6
258.05374	0.8
259.92166	0.5
287.05515	34.2
295.08093	7.1
313.09235	1.9
403.13855	0.9
575.28693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
55.01875	30.8
61.21632	0.9
65.03922	3.8
67.05500	2.5
69.03419	1.0
69.20904	9.7
72.76719	1.0
75.57326	1.0
77.03914	1.1
78.27532	1.1
79.05495	2.7
81.03424	1.1
81.07057	1.1
82.48708	0.9
84.33326	1.0
85.02920	2.5
91.05476	4.9
93.03399	2.1
94.04176	3.4
95.04947	3.1
97.02922	1.5
103.05467	15.6
105.07044	2.6
107.04957	6.0
108.02104	2.3
109.02856	1.4
110.03608	1.4
111.04436	1.8
115.05466	4.2
116.14560	1.1
117.07030	3.9
119.04926	3.3
121.02867	1.6
121.06515	4.2
122.03680	6.0
123.04405	2.7
131.04941	23.9
133.06500	2.2
135.08061	1.2
137.05983	79.6
138.03101	1.3
138.06316	1.0
139.03947	1.4
140.04637	1.2
141.05458	1.0
145.06502	7.5
147.04428	6.3
148.05147	1.9
149.06003	2.7
150.89479	1.0
151.03915	71.9
151.05013	5.2
153.01855	1.8
153.05446	5.0
155.07056	1.9
159.04416	4.7
160.05270	1.0
161.05971	4.5
162.06778	1.0
163.03908	2.1
163.07556	7.5
167.03419	1.3
167.07047	28.5
172.05229	1.3
173.05969	8.6
175.03943	4.8
175.07553	2.4
176.04724	1.3
177.05511	10.5
179.07077	5.1
181.04959	42.9
181.06555	2.2
189.05423	3.4
191.07030	13.6
193.08675	1.6
194.05748	2.4
196.07355	1.1
200.04671	1.5
201.05545	1.2
205.08575	3.5
207.06465	4.2
208.07271	1.7
209.08122	5.7
218.05666	1.2
219.06567	9.6
221.08133	6.1
222.08891	1.3
223.09676	6.3
231.06422	1.1
233.08041	4.9
251.09163	34.3
263.06845	1.6
287.05521	38.0
289.10736	12.7
313.09311	3.1
327.12186	1.0
356.37427	1.0
373.12881	6.2
403.13913	100.0
404.13986	1.7
599.20703	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	1.4
53.03954	6.6
55.01861	3.2
55.05511	4.4
57.03429	2.5
59.03072	1.3
61.02922	3.4
65.03960	1.4
67.05504	4.3
68.99779	1.3
69.03082	2.0
69.03429	18.8
69.07065	2.9
71.04998	4.9
71.49394	2.0
71.80848	1.2
73.02915	2.9
77.48745	1.3
79.05502	10.7
81.03416	10.0
81.07042	6.5
83.04980	4.0
85.02911	56.8
87.00840	18.7
87.04479	2.0
91.03951	2.4
91.05486	18.8
93.07047	68.8
95.04964	3.6
95.08610	11.0
97.02898	19.0
97.06531	2.7
99.04455	6.3
103.75576	1.2
105.01199	2.8
105.01869	38.9
105.07028	6.3
106.04159	1.5
107.08598	100.0
109.02894	16.0
109.06508	2.8
109.10150	2.3
111.05007	1.3
115.03912	2.5
119.06008	1.9
119.08582	2.4
121.06554	2.3
121.10157	5.6
127.03926	35.4
133.10159	1.5
135.11696	72.6
137.06004	2.8
145.04950	20.2
147.04391	2.3
149.05972	2.5
153.01802	6.3
153.12743	14.2
159.02899	4.5
163.03925	1.6
177.05489	1.7
181.08534	1.5
188.65306	1.5
209.08142	4.0
210.08521	2.8
213.04105	1.6
231.05006	14.6
249.06039	12.2
253.06915	1.5
259.31464	1.3
287.05579	3.9
303.05002	8.2
304.05399	11.7
374.08176	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1457
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.03451	1.1
59.05016	0.2
61.02936	1.2
68.99773	0.4
69.03413	0.7
69.79427	0.9
71.01341	0.2
71.04995	0.2
73.02924	7.6
78.99561	0.2
85.02899	0.8
86.28687	0.2
93.03410	0.3
95.04953	0.3
97.02900	0.4
98.21532	0.2
99.04398	0.2
109.02876	0.3
110.05508	0.2
111.00809	0.9
115.03918	0.7
121.02861	0.6
123.04440	0.5
127.03934	0.4
137.02342	2.4
137.03346	0.3
138.16911	0.2
145.23422	0.2
149.02362	0.4
151.81886	0.2
153.01848	2.9
163.03954	0.6
165.01837	1.6
173.05956	0.3
183.02884	0.7
194.70273	0.2
195.02991	0.2
201.05508	1.2
215.03442	0.2
229.05006	3.5
247.05972	0.8
257.04498	2.6
274.04727	0.4
285.04019	1.0
287.05634	0.5
288.05969	0.4
289.05951	0.3
303.05002	100.0
304.05338	1.1
315.04877	0.3
345.06274	0.3
399.07169	0.3
435.09045	0.3
465.10349	9.1
503.32660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.0
54.58505	1.4
55.01870	3.8
55.05495	6.4
55.51469	1.5
57.03428	4.6
61.02912	5.1
65.03942	2.1
65.87466	1.5
67.05496	5.0
69.03433	25.4
69.07067	4.4
69.70472	3.5
69.70881	5.9
71.04990	4.5
73.02904	1.7
79.05499	13.5
81.03418	14.7
81.07057	7.5
85.02912	56.3
87.00834	21.7
87.04478	1.8
91.05482	21.3
93.07047	82.5
95.04957	3.8
95.08609	15.7
97.02892	22.7
97.06570	1.9
98.21587	1.7
99.04457	7.5
101.71873	1.4
105.01870	34.4
105.04507	2.5
105.07056	7.2
105.07713	1.6
107.08597	100.0
107.96442	1.5
109.02882	16.5
109.06540	3.7
109.10126	3.0
119.08609	2.5
121.02012	1.6
123.04453	3.6
127.03921	39.2
133.10106	2.2
135.11697	92.5
145.04965	19.5
145.10135	2.4
147.02940	1.8
153.01828	3.1
153.12749	14.8
158.22462	1.6
159.02892	6.9
175.11012	1.7
189.03983	1.8
213.04094	2.7
231.04947	12.1
249.05963	9.0
257.70303	1.8
298.88113	1.7
303.05075	1.5
304.05243	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	596.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.05272	1.4
55.05515	14.7
57.03440	5.8
57.07064	3.2
59.05021	2.0
65.00671	1.3
65.03934	2.6
67.05508	69.6
69.03394	1.2
69.07071	12.1
69.32736	2.9
69.33156	6.5
71.04997	19.0
71.08624	1.1
79.05494	35.9
81.07058	92.1
81.34081	1.1
83.04980	2.6
83.08612	8.3
85.06549	6.2
85.61073	1.3
89.06022	1.3
91.05482	26.9
93.07048	38.3
95.04959	3.5
95.08611	26.3
97.06535	3.4
97.10163	1.8
98.21555	1.8
103.04003	1.0
105.04502	1.8
105.07036	16.5
107.08592	19.4
109.06542	1.4
109.10171	13.5
111.08110	1.8
114.52588	1.1
116.64806	1.2
117.07015	4.6
119.08573	5.6
121.10163	13.0
123.08041	1.5
123.11709	10.3
131.08594	7.3
133.10115	15.3
135.11719	7.6
143.08481	1.5
145.10106	3.7
147.11682	3.0
149.13277	4.9
151.11171	3.4
159.11697	6.1
161.13260	2.9
169.12262	1.3
173.13318	2.2
177.12779	1.9
183.13765	3.1
187.13281	3.7
195.13802	1.4
243.21164	1.4
261.22168	3.5
269.17429	4.4
272.66797	1.5
301.20074	13.7
335.25848	35.0
503.37354	100.0
504.37701	1.5
517.38910	5.7
529.38641	4.5
561.41565	40.8
596.59808	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	596.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35658	1.4
52.35921	1.7
53.63215	1.5
55.01874	13.5
61.50626	1.4
63.72768	1.4
65.46181	1.4
68.99840	1.6
70.02950	3.5
70.67869	3.2
70.68239	2.4
74.00652	2.7
76.04008	2.3
83.04993	1.6
83.06113	11.4
84.04509	25.2
93.03360	1.8
99.05588	1.6
99.85435	1.5
109.07666	3.6
111.04440	4.7
112.03990	9.3
112.75578	1.7
116.01675	2.1
119.04939	1.7
121.01092	2.4
123.04433	3.6
127.03896	2.1
129.06609	19.5
130.04063	2.9
130.05014	39.0
135.02635	3.6
137.00600	2.5
137.02280	1.9
137.05939	1.5
139.03911	69.4
141.00052	1.6
145.06096	14.1
147.04419	5.3
148.05203	9.0
149.00577	9.9
151.02142	3.3
153.00101	1.8
153.01859	2.7
153.03711	3.5
153.06590	5.2
155.01619	32.2
155.02779	2.5
155.08165	5.9
162.03773	3.8
162.05531	7.3
163.02191	10.9
163.03902	24.4
164.01643	2.1
165.00024	2.9
167.01663	6.7
167.03267	1.7
175.06308	7.4
179.01628	13.3
181.03207	24.0
181.06067	4.8
181.10779	1.5
182.02745	4.0
183.01147	3.5
190.03235	4.1
191.01640	3.1
193.02989	2.0
196.04326	6.9
199.07236	5.6
207.01173	2.4
208.04292	30.7
209.02754	5.3
217.03036	2.0
219.01123	2.1
226.05365	7.1
233.02864	1.9
257.02786	4.9
265.06256	1.6
270.05246	7.2
274.10324	2.1
282.04318	4.7
285.02280	4.5
287.06866	4.4
288.00934	2.5
288.05829	1.6
296.06726	2.3
299.03854	2.4
299.07001	26.9
303.03223	86.9
311.06964	100.0
312.05173	7.3
329.04742	4.8
329.08029	25.4
346.07489	3.6
353.07932	5.1
365.07983	2.0
383.09100	17.7
404.81876	1.8
410.98480	2.0
440.11609	2.5
449.10104	17.1
458.12378	26.9
503.11166	18.2
521.12292	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31528	1.1
50.62008	1.3
55.01874	20.0
65.03915	1.6
66.11764	1.1
69.79321	6.6
71.15574	1.3
74.00676	2.3
76.03984	2.6
81.03442	2.2
81.65231	1.4
83.06103	7.5
84.04507	36.1
85.78323	1.2
91.17855	1.4
97.02859	1.5
97.60743	1.5
99.02681	2.6
101.34080	1.6
111.04407	2.1
112.03968	22.5
123.04431	3.0
127.02132	16.6
129.06604	15.7
130.05013	89.5
135.02650	9.8
135.04413	1.4
136.06189	8.3
139.03914	66.5
145.06070	1.8
147.07629	1.5
149.00580	1.5
151.02139	1.8
151.03911	2.5
153.01822	2.9
153.03740	1.5
153.06583	1.4
155.01620	30.5
163.02165	14.8
163.03906	28.9
163.05240	1.7
165.00075	1.5
165.05418	1.7
175.02092	3.3
178.03229	3.0
179.01630	22.8
181.03102	3.5
183.01123	55.4
189.00035	2.3
191.01671	12.2
193.03142	1.7
196.04347	2.7
203.01598	7.7
207.01129	2.5
208.04286	4.9
209.02708	15.2
221.02692	1.7
226.05354	7.6
237.02232	3.3
242.05750	3.0
270.05237	2.7
271.05981	1.4
275.68433	1.3
281.05896	3.0
282.04343	17.5
285.02026	1.5
287.05408	1.5
288.05966	1.6
292.06281	1.4
303.03177	21.5
312.05389	19.8
329.08044	100.0
346.07416	2.8
347.05844	2.2
357.04175	2.0
365.08044	2.4
383.09042	15.9
432.07492	3.5
440.11557	2.9
441.09906	2.5
449.10165	4.5
458.12326	51.3
462.75159	1.6
503.11081	3.8
521.12286	14.5
578.14142	2.0
596.15692	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.0
51.02370	1.8
53.03758	0.7
53.03949	8.0
53.68716	0.8
55.01875	1.6
55.05513	26.1
57.03422	2.5
57.07075	4.3
65.03941	5.8
66.04714	0.8
67.05505	85.4
69.03413	2.2
69.07069	23.8
71.05002	4.4
71.08639	1.3
72.04523	0.8
77.03927	2.1
78.42384	0.6
78.95032	0.6
79.05492	91.0
81.03409	1.2
81.07056	83.3
83.04986	3.2
83.08619	9.0
85.06533	2.3
85.19781	0.6
88.07657	0.8
88.60400	0.6
91.05482	54.2
93.07044	100.0
94.07387	0.8
95.04970	8.5
95.08607	62.4
97.06522	4.2
97.10173	4.0
99.08076	1.1
103.05491	0.9
105.04536	4.8
105.06310	1.4
105.07030	33.8
107.08594	46.7
108.06277	0.7
109.06513	2.9
109.10154	20.9
111.08068	2.2
113.09626	1.1
115.05449	1.2
117.07017	12.5
119.06081	0.7
119.08583	26.1
121.10147	41.1
123.08094	1.6
123.11697	7.3
125.09630	1.4
129.06995	1.6
130.07748	1.1
131.08571	21.0
133.10126	18.7
135.08119	0.8
135.11694	27.5
137.09637	1.1
137.13231	1.7
139.11186	1.0
143.08574	1.2
145.10115	14.1
147.11674	11.1
149.13261	10.8
151.11201	0.8
153.12811	0.8
157.10146	1.7
159.11678	10.4
159.12885	1.0
161.13229	8.3
163.14836	3.5
169.10132	1.0
171.11665	1.2
173.13257	10.6
175.14818	4.1
177.16374	1.3
179.14319	1.4
185.13312	1.3
187.14819	4.5
189.16408	1.0
191.14342	0.9
197.13246	0.7
199.14876	0.8
201.16446	2.9
243.21066	4.2
259.20712	0.7
259.95322	0.7
261.22147	14.3
275.20120	0.8
277.21597	0.8
299.23889	1.1
317.24765	9.5
335.25937	2.8
337.27643	0.8
431.55414	0.8
521.43628	1.0
539.45044	1.3
595.27789	2.4
595.47388	90.4
596.47632	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
54.56506	1.1
55.01870	2.2
65.03941	4.8
67.05493	3.1
69.03436	1.9
69.07053	0.9
69.35429	6.3
69.35825	1.6
76.90079	0.9
78.04701	1.3
79.05484	6.9
81.03413	1.9
82.04202	1.3
85.02901	2.9
91.05480	16.5
92.06254	2.4
93.03410	3.2
95.04963	3.0
97.06529	1.2
103.05467	3.7
105.04494	1.2
105.07030	2.9
106.04161	2.0
107.04963	21.9
110.03661	2.5
115.05453	4.6
117.07008	5.7
118.04153	1.1
119.04948	10.4
119.08591	1.5
120.05703	6.6
121.02869	1.4
121.06502	3.4
123.04417	2.9
124.05212	1.9
125.06009	2.6
127.05389	1.2
128.06265	1.1
129.07011	2.1
131.04930	5.4
133.02884	2.2
133.06502	3.7
135.04436	4.4
137.05986	10.7
138.03102	1.3
142.02667	2.0
143.04945	1.4
144.05734	1.5
145.06477	6.3
147.04408	12.4
147.08049	2.1
148.05203	9.1
149.05956	2.7
151.03885	3.6
151.07533	2.1
153.05457	3.3
154.06227	1.1
155.06015	1.5
157.06557	1.8
158.07326	2.4
160.05116	1.1
161.05969	5.6
162.03181	1.5
163.03925	5.8
163.07547	1.5
165.05484	23.6
167.07048	44.3
171.06490	2.8
173.05991	7.3
175.07542	4.3
177.05460	5.4
179.07021	2.9
180.07889	2.2
180.91888	1.1
181.04964	100.0
182.05521	1.2
185.05986	1.2
187.07550	1.7
189.05466	2.2
189.09050	1.2
190.06232	1.2
191.07039	3.4
193.04906	1.3
200.11897	0.9
201.05475	2.2
203.07072	2.9
205.04964	2.4
205.08598	9.0
207.06511	1.3
208.07333	2.6
217.08667	1.6
219.06378	2.3
220.07332	9.0
221.08127	2.2
233.08162	4.1
234.08896	2.7
235.09653	7.0
287.05536	3.4
291.10025	1.1
293.08359	1.1
307.09671	1.4
340.13257	1.2
355.11703	4.3
367.11469	1.0
370.14203	2.6
373.12772	2.0
385.12860	20.7
386.13309	1.9
387.14401	2.3
397.12778	1.2
398.09024	1.6
398.13751	16.3
415.13965	8.6
416.14682	87.0
417.15369	11.4
430.12323	3.4
538.48645	1.0
565.20593	1.6
595.21832	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	595.1661
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
57.03447	2.1
60.98749	0.3
65.91617	0.3
69.03468	0.3
71.01612	0.5
71.04999	15.9
75.04491	0.8
75.52601	0.3
83.04976	0.5
85.02912	17.5
87.04475	0.4
90.35754	0.3
93.87967	0.3
110.86407	0.3
111.00830	0.7
111.04434	0.6
121.02864	2.1
129.05508	4.2
133.02809	0.4
137.02348	0.6
147.04471	0.5
153.01845	2.9
155.21524	0.4
165.01871	1.2
181.56386	0.4
183.02890	0.6
192.63710	0.4
210.49136	0.4
213.05460	1.0
241.04932	0.4
244.61841	0.3
258.05310	1.0
259.05969	0.5
287.05527	100.0
288.05817	1.1
329.06650	0.7
403.78378	0.4
449.10843	13.6
525.70459	0.4
613.33966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1665
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03428	1.8
60.04535	0.7
62.63828	0.6
67.05477	0.8
69.03419	2.2
71.05006	11.9
71.50043	1.1
75.04458	0.9
77.65639	0.6
83.04996	0.9
85.02909	18.3
97.02901	1.6
99.47369	0.7
104.66290	0.7
109.02883	1.1
111.00747	0.7
120.08372	0.8
121.02898	2.4
122.76093	0.9
127.03983	0.9
129.05473	3.2
133.02875	0.8
135.63936	0.8
137.02400	1.0
137.05963	1.0
147.04443	1.9
147.06601	0.7
153.01793	3.4
157.06383	0.8
165.01848	0.9
213.05550	0.8
216.72301	0.7
241.04936	0.9
287.05530	100.0
288.06064	1.1
324.74203	0.9
358.31296	0.7
391.08203	2.1
433.09238	2.1
449.10892	0.8
595.22333	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	595.1659
Annotation	Kaempferol 3-rungioside
Peak:m/z	Relative Intensity
55.95482	0.8
57.03437	3.2
58.13574	0.8
61.02950	1.0
65.03903	0.8
68.47260	1.0
69.03433	2.7
69.26721	2.9
69.27144	5.4
71.05000	16.9
73.02924	1.6
83.04986	1.1
83.67498	0.9
85.02912	18.5
91.05509	2.0
95.01299	0.8
97.02927	1.1
99.04500	1.0
117.05523	0.9
119.04944	1.3
119.08571	1.2
121.02866	2.7
129.05486	5.4
131.05013	0.8
137.02383	2.3
147.04416	4.4
153.01866	3.2
161.06023	1.0
162.04282	0.8
163.03900	1.4
163.06070	1.0
165.01862	1.5
167.06975	1.1
181.05054	2.0
185.05933	0.9
207.06613	1.0
213.05492	1.6
241.04942	1.2
287.05530	100.0
288.05954	1.5
299.05298	1.2
303.04974	8.4
315.05142	2.4
345.06189	5.3
353.06708	0.9
369.06064	2.2
395.07745	1.5
413.08588	3.2
415.19937	0.9
416.14737	2.1
431.09796	2.3
433.11069	1.5
449.11020	7.7
467.10269	1.0
595.22858	4.7
618.99988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1663
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03931	0.4
53.77383	0.2
57.03446	1.6
59.62451	0.3
61.02911	0.3
68.99802	0.4
69.03416	0.7
70.05350	0.7
71.05000	9.6
73.02930	0.4
76.96983	0.2
81.03436	0.4
81.90123	0.3
83.04986	0.3
85.02915	12.6
87.04465	0.2
91.03957	0.3
97.02897	0.9
98.20869	0.3
109.02881	0.5
111.00814	0.7
111.04446	0.4
121.02859	1.9
127.03915	0.6
129.05496	2.9
133.02858	0.3
137.02319	0.7
145.04959	0.6
147.04424	0.4
147.06511	0.6
149.02341	0.3
153.01855	2.4
165.01859	1.1
183.02861	0.4
185.05943	0.4
203.06831	0.3
213.05544	1.3
231.06606	0.6
241.04982	0.6
258.05292	1.0
259.06018	0.4
269.04633	0.4
287.05527	100.0
288.05786	1.3
455.43375	0.3
469.42969	0.3
548.37793	0.3
552.68585	0.3
595.22595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1448
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
56.30309	0.1
59.62529	0.1
65.49302	0.1
67.32236	0.1
67.62269	0.1
68.99795	0.4
70.06577	0.2
81.03422	0.3
85.02901	0.2
90.89682	0.1
91.05486	0.3
93.07037	0.2
109.02877	0.2
111.00821	0.1
114.26929	0.1
115.05455	0.2
121.02879	0.4
121.06517	0.2
122.05528	0.2
123.04438	0.2
129.06975	0.2
130.01385	0.1
137.02357	2.2
137.03371	0.1
141.07043	0.1
143.04976	0.1
145.06467	0.2
147.04399	0.7
149.02364	0.5
153.01759	0.2
157.06491	0.5
161.05949	0.4
163.03918	0.2
165.01807	0.4
165.37007	0.1
167.07051	0.2
171.04469	0.4
173.21852	0.1
175.03987	0.2
181.04967	0.1
185.05965	0.8
189.05484	0.5
199.04068	0.2
203.07080	0.2
213.05490	2.1
216.04173	0.4
217.86862	0.1
231.06503	0.8
241.04991	1.0
269.04453	0.5
287.05508	100.0
288.05789	1.1
329.69064	0.1
361.17798	0.2
595.14099	2.1
595.22272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05494	0.4
65.03938	1.2
68.99805	0.6
69.03432	0.9
69.37888	2.0
72.81821	0.3
79.05518	0.3
80.69119	0.2
81.03422	3.2
81.07057	0.2
85.02908	1.1
91.05484	10.3
95.07257	0.2
97.02893	0.5
99.04432	0.3
100.11279	0.3
102.21162	0.3
103.05484	0.3
105.03409	0.6
105.07037	0.4
107.04958	0.7
109.02905	1.3
111.00792	0.4
111.04436	0.5
119.04945	22.3
121.02871	5.7
121.03771	0.5
125.09554	0.3
127.03933	1.5
133.02815	0.7
137.02368	1.1
138.33212	0.3
147.04414	100.0
148.04785	1.0
153.01828	3.4
153.05479	0.3
157.06485	0.4
161.05949	0.3
163.03908	0.5
165.01848	1.2
165.05493	2.6
167.07028	0.9
181.04994	0.9
183.02933	0.6
185.06039	0.4
189.05482	0.4
203.07159	0.3
203.30872	0.3
211.52917	0.2
213.05528	1.0
231.06601	0.7
241.04916	1.3
258.05142	0.3
287.05511	66.5
288.05820	0.7
291.08649	6.1
309.09543	1.3
337.10284	0.3
339.05060	1.3
339.12189	0.3
416.14792	0.8
433.08942	0.4
487.23090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1452
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03944	0.5
55.05494	0.4
65.03938	1.2
68.99805	0.6
69.03432	0.9
69.37888	2.0
72.81821	0.3
79.05518	0.3
80.69119	0.2
81.03422	3.2
81.07057	0.2
85.02908	1.1
91.05484	10.3
95.07257	0.2
97.02893	0.5
99.04432	0.3
100.11279	0.3
102.21162	0.3
103.05484	0.3
105.03409	0.6
105.07037	0.4
107.04958	0.7
109.02905	1.3
111.00792	0.4
111.04436	0.5
119.04945	22.3
121.02871	5.7
121.03771	0.5
125.09554	0.3
127.03933	1.5
133.02815	0.7
137.02368	1.1
138.33212	0.3
147.04414	100.0
148.04785	1.0
153.01828	3.4
153.05479	0.3
157.06485	0.4
161.05949	0.3
163.03908	0.5
165.01848	1.2
165.05493	2.6
167.07028	0.9
181.04994	0.9
183.02933	0.6
185.06039	0.4
189.05482	0.4
203.07159	0.3
203.30872	0.3
211.52917	0.2
213.05528	1.0
231.06601	0.7
241.04916	1.3
258.05142	0.3
287.05511	66.5
288.05820	0.7
291.08649	6.1
309.09543	1.3
337.10284	0.3
339.05060	1.3
339.12189	0.3
416.14792	0.8
433.08942	0.4
487.23090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01870	0.3
58.55653	0.2
58.92092	0.2
65.03943	2.0
68.99806	0.3
69.03424	1.4
69.59164	1.4
81.03433	1.5
85.02904	0.6
91.05489	15.8
99.05140	0.2
105.03361	0.3
107.04952	0.6
109.02841	0.5
111.00783	0.3
119.04949	29.3
121.02885	1.3
127.03928	0.5
133.02824	0.3
137.02359	0.3
143.22954	0.3
145.06538	0.4
147.04419	100.0
148.04916	0.8
153.01842	2.0
157.06554	0.3
161.06116	0.2
165.01776	1.2
165.05498	1.0
167.07076	0.7
181.05000	2.3
185.05904	0.4
203.06934	0.2
213.05478	0.8
231.06555	0.6
241.04990	0.5
258.05316	0.4
287.05518	50.3
288.05957	0.6
291.08676	1.6
301.58878	0.2
309.09674	0.4
385.05054	0.2
385.12985	0.3
398.13498	0.3
415.13754	0.3
416.14645	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1451
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
51.43801	0.2
53.03941	0.3
55.01864	0.2
65.03941	1.5
66.00697	0.3
68.99814	0.3
69.03425	1.3
70.60505	0.3
70.60867	0.8
75.19467	0.2
77.66352	0.2
81.03423	3.6
84.46663	0.2
85.02907	1.0
88.76300	0.2
91.05485	10.2
94.44498	0.2
97.02907	0.5
103.05464	0.3
105.03384	0.3
105.07010	0.3
109.02897	1.3
119.04946	23.6
121.02866	3.3
127.03928	1.0
133.02853	0.4
137.02356	0.5
137.05942	0.4
145.06506	0.3
147.04413	100.0
148.04765	0.9
153.01822	2.4
161.05994	0.3
163.03891	0.3
165.01831	0.6
165.05496	2.5
167.06998	0.4
177.05533	0.4
181.04915	0.5
183.02867	0.5
185.06024	0.3
213.05513	0.7
229.81038	0.2
231.06575	0.5
233.01430	0.2
237.27690	0.3
241.05040	0.7
258.05270	0.7
287.05511	39.3
288.05695	0.6
291.08612	5.2
309.09637	1.5
337.10880	0.3
349.25397	0.3
377.12018	0.2
388.09296	0.2
401.19757	0.2
595.20953	0.7
623.65405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.9
55.05508	12.1
57.03440	18.1
57.07068	8.9
65.03941	4.9
67.05181	5.7
67.05511	63.9
69.07059	14.7
70.03017	3.3
71.05018	4.4
71.51221	3.1
71.59123	3.5
73.05413	2.9
74.74538	3.1
74.77520	2.9
79.05500	45.4
81.03424	82.7
81.07063	62.8
83.04970	5.9
83.08628	16.7
91.05477	34.5
93.07053	45.2
95.04971	21.3
95.08624	32.9
97.06513	4.1
105.07031	26.5
107.04893	4.0
107.08578	19.6
109.06517	7.5
109.10139	17.6
111.08076	6.3
117.07001	6.4
119.08607	21.5
121.10152	22.6
123.11694	4.1
125.09636	4.1
129.06990	11.7
131.08553	15.0
133.10123	13.9
135.11719	8.0
145.10106	13.0
147.11685	12.2
149.13313	6.2
149.88963	3.3
157.10107	11.5
159.11710	9.3
161.13269	5.4
173.13336	5.8
175.11105	8.2
189.11266	4.7
193.12292	25.7
223.02356	4.4
227.12820	4.4
229.52654	3.4
243.20937	6.4
261.22125	16.7
267.15924	100.0
335.25800	71.1
402.48392	3.7
405.20776	4.3
420.22678	7.9
432.18726	5.9
435.32431	5.0
446.20499	6.4
447.21088	9.8
448.22180	11.1
453.33655	5.4
527.37402	37.7
534.25836	23.1
545.38300	13.0
594.27954	96.3
594.45856	5.1
594.57990	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	595.1447
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03938	0.6
56.68428	0.3
59.32278	0.3
60.09439	0.3
65.03937	1.1
69.03428	1.3
70.45309	0.5
81.03425	3.3
85.02895	0.7
91.05486	9.7
109.02871	0.9
112.42457	0.3
119.04946	26.0
121.02876	0.6
127.03950	0.4
131.81343	0.3
147.04414	100.0
148.04744	0.8
153.01823	1.0
153.90611	0.4
165.05504	3.2
165.84093	0.3
181.04913	1.6
287.05515	21.1
288.05804	0.4
291.08643	5.1
309.09756	1.4
353.87756	0.3
416.14783	1.5
453.98346	0.3
492.25272	0.4
498.66788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50580	0.5
56.95185	0.5
72.37434	0.5
72.92567	0.4
77.85490	0.4
79.74163	0.4
86.09888	0.5
98.20708	0.7
103.86389	0.4
138.18600	0.6
141.04599	0.5
160.38240	0.5
179.57173	0.4
183.09299	0.4
236.13049	0.5
389.17639	1.1
391.19244	0.5
401.17654	0.9
402.18546	0.9
403.19119	3.5
404.20059	1.1
405.20813	2.0
416.20364	0.9
417.21277	4.7
418.21747	2.3
419.22260	3.8
430.17627	1.1
431.18158	8.2
431.23660	0.9
432.18707	2.3
433.24124	7.8
434.24802	1.8
445.20123	11.3
446.20905	4.9
447.21640	6.2
459.21539	4.1
460.22632	15.3
461.23352	13.6
473.23706	2.9
474.24030	0.9
476.25677	1.8
477.26715	0.7
487.24921	1.7
489.26636	0.8
491.24646	1.0
492.25439	1.1
505.21893	5.5
518.22998	0.9
519.23633	0.6
533.25500	47.6
534.26007	0.7
547.26892	0.7
564.23761	0.7
565.28412	0.6
593.27606	100.0
594.27850	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.2
55.05519	15.3
57.03422	12.7
67.05505	21.7
69.03413	3.1
69.07063	7.5
69.72060	10.8
69.72469	6.7
74.09702	3.1
79.05495	21.7
81.03423	59.6
81.07057	22.7
83.04971	6.3
83.08618	14.5
91.05485	15.1
93.07028	20.6
95.04988	18.4
95.08603	10.7
97.10187	21.1
98.20787	3.2
105.07039	15.8
107.04964	18.5
107.08590	12.5
109.06510	7.3
109.10138	10.0
111.08089	5.1
117.06959	7.3
119.08566	13.3
121.06489	8.7
121.10146	11.8
121.52625	3.2
123.08099	4.1
125.09627	10.6
127.67267	3.1
129.07004	9.4
131.08540	12.1
133.06517	4.6
133.10092	7.1
135.08084	4.5
143.08560	3.7
145.06505	4.4
145.10120	7.1
147.08023	5.7
147.11676	7.4
149.09607	6.5
157.10130	6.0
163.11247	3.6
163.26511	3.1
171.11653	4.9
175.11153	5.0
185.45319	2.9
189.11221	5.0
193.12222	14.1
199.11156	4.3
219.13812	4.0
233.15353	4.2
267.15912	36.9
273.14719	5.2
293.17682	3.9
349.21622	8.2
367.22757	18.8
385.23761	28.9
403.24747	10.1
441.26208	6.9
459.21323	6.6
459.27441	100.0
477.28525	65.2
491.29947	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	593.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14284	2.6
69.07063	3.9
69.20151	9.2
69.20571	13.9
71.04985	2.3
72.61161	2.7
81.03385	2.9
81.07063	6.0
83.04991	2.5
85.02910	6.3
93.07058	2.6
95.08620	4.6
98.20739	4.7
109.06546	2.6
119.08576	3.8
137.05994	3.7
147.04369	4.5
163.03857	4.4
177.05464	4.1
209.08061	5.2
219.93779	2.3
266.86063	2.4
303.05078	3.1
340.19086	3.2
348.51712	2.7
350.23846	3.2
559.52118	2.9
593.19934	100.0
594.20599	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	593.2756
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.70956	1.8
71.08961	0.3
78.84071	0.4
98.21495	0.7
111.43428	0.3
145.37601	0.3
157.88037	0.3
186.76511	0.4
316.44516	0.4
345.78214	0.4
355.97034	0.4
389.17636	0.9
401.18115	0.6
402.18506	0.7
403.19284	1.4
404.20160	0.7
405.20786	1.5
417.21454	2.4
418.21677	1.3
419.22223	2.4
430.17770	0.8
431.18280	5.2
432.19534	1.3
433.24152	4.3
434.25040	0.9
445.19977	5.8
446.20856	2.9
447.21790	3.6
449.23221	0.5
459.21512	2.8
460.22568	9.6
461.23264	7.9
462.23370	0.5
473.23703	1.9
474.23865	0.7
476.26041	0.8
487.25253	1.0
489.26309	0.7
491.24588	0.6
492.25409	1.0
505.21851	5.3
518.23474	0.8
519.24109	0.9
533.25488	22.8
534.25909	1.0
561.25061	0.5
565.27820	0.5
566.57404	0.4
593.27582	100.0
594.27820	1.0
597.07800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14284	2.6
69.07063	3.9
69.20151	9.2
69.20571	13.9
71.04985	2.3
72.61161	2.7
81.03385	2.9
81.07063	6.0
83.04991	2.5
85.02910	6.3
93.07058	2.6
95.08620	4.6
98.20739	4.7
109.06546	2.6
119.08576	3.8
137.05994	3.7
147.04369	4.5
163.03857	4.4
177.05464	4.1
209.08061	5.2
219.93779	2.3
266.86063	2.4
303.05078	3.1
340.19086	3.2
348.51712	2.7
350.23846	3.2
559.52118	2.9
593.19934	100.0
594.20599	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.05515	16.2
57.03449	10.5
57.07080	45.8
61.90606	1.4
62.52795	1.5
65.03947	1.7
67.05509	62.5
69.06738	1.7
69.07073	16.5
69.80722	8.5
71.04971	2.2
71.08640	29.5
79.05498	36.0
81.07063	71.7
83.08623	15.3
85.10185	13.6
89.06029	3.3
91.05483	17.2
93.06493	2.6
93.07050	43.1
95.08616	61.4
97.06538	2.6
97.10159	5.7
99.08085	3.5
105.07039	14.0
107.08599	26.3
109.10166	28.0
109.43700	1.5
111.08080	1.8
111.11755	1.9
117.07003	5.1
119.08575	13.0
121.10152	22.0
123.11737	13.6
125.19715	1.7
131.08575	11.7
133.10112	12.4
135.11708	15.0
137.13278	4.8
141.67653	1.8
141.97168	1.5
145.10143	9.8
147.11702	7.1
149.13264	12.4
151.14812	1.9
153.12784	1.7
153.99347	1.5
154.51874	1.4
159.11655	8.7
161.13240	6.6
163.14861	8.4
163.16103	1.6
165.32765	1.4
170.21353	1.7
173.13284	10.6
175.14853	2.5
177.16415	3.5
187.14799	5.5
201.16426	2.3
239.23666	3.9
243.21088	10.3
257.24530	2.8
261.22150	61.0
262.22543	1.7
266.02231	1.6
279.23196	2.7
299.23700	2.4
313.27386	100.0
317.24789	11.6
335.25827	60.9
353.26749	2.2
451.05228	1.9
499.45258	2.9
511.38583	1.7
573.48889	22.9
591.49622	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	592.406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
55.05503	5.8
56.05039	2.9
59.95282	2.0
60.04536	2.7
67.05511	12.8
69.03425	5.3
69.07091	3.0
70.88987	4.8
71.04993	3.5
78.58806	1.9
79.05501	17.1
79.29431	1.9
81.03413	2.2
81.05798	2.2
81.07051	14.0
82.06574	4.9
83.08628	3.7
87.04478	4.4
91.05473	5.2
93.07058	19.9
94.06577	19.2
95.05022	3.6
95.08607	17.5
96.08156	2.8
97.06548	5.1
97.10142	2.7
105.07028	11.8
107.07357	3.6
107.08591	2.9
109.10173	3.4
110.09677	6.1
111.08098	13.1
112.11241	1.9
120.26006	2.2
122.09670	29.2
123.08076	22.2
128.10736	24.7
133.10126	3.2
133.13307	2.0
140.10715	100.0
140.60184	1.7
141.09061	9.7
144.42639	1.9
149.76222	2.0
158.11807	8.1
202.47003	1.9
272.25867	8.3
278.19565	2.0
382.33264	9.4
394.33170	17.5
412.34235	51.2
489.42905	2.2
500.82108	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2604
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
57.07074	0.4
67.05502	1.0
69.07075	0.5
70.06489	1.1
70.06879	0.9
76.74052	0.4
79.05481	0.9
81.07092	0.6
93.06996	0.4
95.08609	0.6
105.07020	0.6
105.59045	0.5
107.08636	0.4
156.47711	0.4
159.11946	0.5
184.71954	0.4
241.08707	0.4
262.05603	0.4
269.84436	0.4
399.16202	0.6
400.17032	0.5
401.17236	0.5
402.18561	0.7
405.31250	0.5
413.17847	0.7
414.18213	1.1
415.19089	5.0
416.19876	2.1
427.19223	0.6
428.20340	0.6
429.20990	6.6
430.21820	3.6
431.22409	1.3
433.23770	0.7
443.22549	3.1
444.23633	5.3
445.24167	4.0
446.25162	0.5
448.26309	0.7
457.20023	1.2
458.20206	0.8
458.25272	1.2
459.21402	2.3
459.25821	2.9
472.22836	3.5
473.23416	4.6
474.24686	2.0
475.25150	0.6
476.22336	0.7
485.23483	1.5
487.25006	20.3
487.32047	1.1
488.25671	0.9
489.22931	1.9
490.23178	0.8
503.24200	2.0
515.24500	0.7
517.22369	0.7
518.23169	0.8
531.23975	13.3
532.24725	3.9
563.25757	0.6
591.26062	100.0
592.26385	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	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39860	1.7
53.03940	5.4
55.01864	2.2
55.05514	32.9
57.03444	10.3
57.07084	19.0
65.03953	3.1
67.05509	78.9
69.06687	2.5
69.07069	40.5
69.45203	9.9
69.45616	3.1
71.05002	2.2
71.08633	21.3
79.05498	41.7
81.07061	84.8
83.04977	4.4
83.08614	25.1
85.06550	2.9
85.10195	6.4
87.00368	2.0
91.05493	23.1
93.07047	48.9
95.04987	2.7
95.08615	77.6
97.06535	5.3
97.10175	13.3
99.08116	6.8
105.07035	20.8
107.08599	30.2
109.06524	4.0
109.10166	35.8
111.11746	2.7
113.09655	2.4
117.07048	6.7
119.08605	19.8
121.10146	32.2
123.11722	13.0
125.09644	2.3
129.07011	2.4
131.08588	13.3
133.10139	16.6
135.11690	18.1
137.05980	4.7
137.13293	6.8
143.08533	2.5
145.10165	12.5
147.11710	10.7
149.13278	14.4
151.11269	5.3
151.43646	1.7
157.10136	2.8
159.11734	7.4
161.13303	8.4
163.11177	4.3
163.14877	5.5
171.11768	3.0
173.13240	9.4
175.14859	2.2
177.16386	2.2
179.14336	9.4
185.13293	3.6
187.14900	4.5
189.16444	2.2
211.55891	1.9
223.17072	1.9
237.22070	2.9
243.21115	3.5
247.20509	3.0
259.20844	2.0
261.22131	24.6
277.18515	3.4
277.21741	15.9
295.22717	2.5
308.29437	4.9
311.25790	32.9
311.29163	2.5
317.24863	5.3
321.24283	2.6
325.27359	2.5
335.25781	21.1
497.43649	9.0
505.51569	2.0
515.44781	6.0
521.66309	2.1
571.47205	22.7
589.48322	100.0
613.54999	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.9
55.01862	3.3
55.05516	31.3
57.03445	14.7
57.07084	30.7
65.03944	2.7
67.05512	85.0
69.07074	41.1
71.05022	3.6
71.08640	24.3
72.62361	2.3
79.05070	4.3
79.05502	47.7
81.07062	100.0
82.38223	2.3
83.08619	25.8
85.10196	13.1
91.05487	41.0
93.07053	61.7
95.04968	4.5
95.08612	76.6
97.06570	7.8
97.10157	13.7
98.21567	3.7
99.08114	8.3
101.79955	2.5
105.07039	39.0
107.08604	39.8
109.06530	4.0
109.10165	36.9
111.08088	4.2
111.11748	3.2
111.69698	2.8
112.80302	2.7
115.96534	2.7
117.07004	12.8
119.08598	34.4
121.10158	33.0
123.11692	20.0
125.09731	3.6
129.07077	5.6
131.08589	18.7
133.10144	34.8
135.08163	2.6
135.11707	28.3
137.06026	7.8
137.13298	5.6
143.08615	4.5
145.10168	16.9
146.37834	2.5
147.11702	26.0
149.13242	18.0
151.11235	3.4
151.14877	2.7
157.10233	6.1
159.11673	12.0
161.13300	18.6
163.11247	4.7
163.14915	7.3
171.11728	7.7
173.13329	13.3
175.14857	8.6
177.16391	3.1
179.14421	4.2
184.97552	2.6
185.13321	6.0
187.14841	4.8
189.12816	3.5
199.14830	3.7
201.16513	3.5
213.16438	3.2
219.21252	2.6
231.21274	6.7
237.22215	2.6
239.23914	2.9
241.19542	19.3
243.21146	4.0
259.20605	37.3
261.22174	23.3
277.18060	8.1
277.21683	5.5
311.25763	29.6
313.27359	41.6
315.23209	3.4
317.24860	3.7
333.24161	17.5
335.25797	16.5
442.89862	2.5
497.43814	5.8
515.44879	4.1
571.47253	19.6
589.48450	84.1
619.61743	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	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01857	2.5
55.05513	17.8
55.32944	1.5
57.03446	11.6
57.07079	43.5
64.31698	1.2
65.03936	2.8
67.05507	44.1
69.06752	1.2
69.07076	20.1
69.99458	6.8
71.04977	2.9
71.08639	34.5
75.02491	1.5
79.05500	38.1
81.03418	1.5
81.06599	2.9
81.07060	56.5
81.07534	3.3
82.31048	1.4
83.04976	3.3
83.08624	17.3
85.06538	3.0
85.10180	13.6
91.05489	41.6
93.07049	41.7
94.07402	1.4
94.35496	1.2
95.04935	4.1
95.08009	2.6
95.08609	48.6
97.06530	3.1
97.10187	8.1
97.31559	1.5
99.08082	5.2
99.33551	1.5
105.04507	1.8
105.07042	49.8
107.04913	2.4
107.08603	25.5
107.67971	1.6
109.06482	2.2
109.10168	21.9
111.08046	1.9
113.09678	2.6
117.07030	13.3
119.08581	44.2
121.10144	20.4
123.11697	5.3
129.07013	8.1
131.08580	19.3
133.10132	41.6
135.11696	16.1
137.05977	1.9
137.09647	2.0
137.13249	2.7
143.08562	8.8
145.10141	20.5
146.83987	1.9
147.08073	1.4
147.11694	47.0
149.09612	2.2
149.13251	12.0
151.11124	3.3
157.10126	6.9
159.11699	17.8
161.09576	1.7
161.13266	33.4
163.11180	4.4
163.14825	4.0
171.11662	14.1
173.13237	11.5
175.14845	17.2
177.12700	1.8
179.14233	5.5
185.13257	12.6
187.14793	5.1
189.12744	2.3
189.16341	1.8
199.14807	6.0
203.14326	1.6
213.16544	2.3
217.19545	3.9
231.21141	7.4
232.35533	1.8
239.23683	6.2
241.19525	43.0
255.31805	1.5
259.20578	97.5
275.19974	2.0
277.21701	10.6
313.27374	100.0
315.23087	7.3
333.24252	46.7
351.25351	1.6
367.59091	1.4
571.47357	10.2
589.48358	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	589.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26671	0.6
51.37237	0.5
53.03925	0.9
55.01841	1.2
55.05506	3.8
57.03437	4.3
61.02926	5.9
65.38118	0.6
67.05511	4.7
67.12527	0.5
69.03432	3.3
69.07076	6.1
70.04936	3.1
71.01348	1.3
73.02921	43.9
77.90741	0.5
79.05077	0.5
79.05487	4.1
81.07063	10.6
83.08591	2.6
85.02914	4.0
87.04437	0.8
88.23344	0.5
91.05482	3.9
91.29570	0.5
93.07050	10.9
95.04977	0.7
95.08611	28.2
97.02849	1.7
97.10126	2.2
105.06403	0.8
105.07034	8.3
105.71423	0.5
107.08599	19.4
109.06453	0.5
109.10162	17.4
111.08030	0.6
111.11647	0.9
115.03948	5.5
119.08590	15.3
121.10147	22.1
123.11707	6.4
125.05996	0.6
131.08577	1.3
133.04944	1.3
133.10132	13.4
135.11693	17.9
137.13231	2.4
145.10139	3.5
147.11671	11.9
149.13255	8.3
153.09096	2.1
153.39041	0.5
157.10019	0.7
159.11719	3.4
161.13249	7.1
163.14827	10.5
167.10690	1.1
173.13240	1.6
175.11206	0.7
175.14841	5.3
177.16406	6.5
179.10660	0.7
187.14813	3.5
189.16394	19.0
189.41246	0.6
191.17952	100.0
201.16385	5.8
203.17953	36.0
205.19527	7.2
207.17444	1.4
209.15494	0.6
213.16269	0.9
215.18002	2.8
217.15881	0.6
217.19540	6.7
221.19019	1.7
223.16943	1.2
229.19580	1.8
231.17540	1.2
231.21056	3.1
235.16953	5.4
237.75407	0.7
245.22667	1.4
247.16942	2.7
249.18515	13.9
261.18561	1.1
269.22723	0.7
275.20071	1.2
277.21674	0.8
324.04266	0.6
380.00690	0.6
393.35312	4.2
411.36243	9.0
439.35745	27.4
439.41794	1.3
589.41174	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	588.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60640	5.1
66.81303	5.0
69.03418	6.1
70.06605	5.4
71.02380	4.9
71.49521	8.7
79.05490	12.9
81.03423	12.8
85.02906	22.0
91.05476	13.0
93.07062	8.0
94.83466	5.4
95.04972	5.6
97.02876	7.8
103.05441	15.2
105.07034	29.0
107.04443	5.2
107.04969	64.1
115.05479	5.7
121.02863	20.3
121.06506	12.5
122.03196	9.9
123.04401	7.0
127.03931	7.3
131.04959	18.3
133.02844	16.5
133.06525	29.3
135.08023	24.9
137.05992	41.1
147.04391	18.6
149.05988	9.0
150.06741	7.9
151.07553	11.4
153.01834	14.7
157.14198	5.4
161.05980	14.6
163.07553	86.3
165.09114	7.1
167.07060	93.9
179.07005	18.3
181.08563	27.0
193.08635	52.4
195.10156	55.8
207.10208	9.9
209.08174	6.6
211.09677	100.0
213.11232	47.3
223.09645	9.1
237.11484	6.5
253.10686	10.0
321.13254	10.2
456.70334	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	588.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65783	3.6
53.03942	4.9
55.05511	22.8
56.68100	3.9
57.03441	7.2
57.06793	3.6
57.07074	12.6
62.70400	4.6
62.74391	4.3
67.05489	17.2
69.07075	25.8
71.08636	6.5
79.05483	16.2
81.02985	7.1
81.03414	59.1
81.07049	16.5
83.08635	26.5
84.46866	3.7
85.10179	6.4
91.05502	22.0
93.07029	15.9
93.95406	4.0
95.04951	11.4
95.08596	12.6
95.79797	4.6
97.10149	10.0
98.21537	11.9
105.07027	14.8
107.08604	4.9
109.10157	5.4
111.08062	5.0
119.08568	14.4
121.10158	7.4
129.07042	8.0
131.08582	8.3
133.10162	6.7
141.05939	4.3
147.11661	8.5
157.10161	9.3
193.12244	15.5
236.37605	5.9
267.15887	100.0
299.43011	4.8
311.25839	66.0
464.93634	4.9
503.37347	39.2
588.38525	9.3
588.46790	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	588.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03406	4.8
71.16382	6.2
71.16710	7.5
81.03412	12.6
85.02892	14.7
91.05481	16.2
97.02872	6.6
103.05458	13.1
105.07031	21.7
107.04951	66.9
115.05403	6.7
117.07059	4.5
119.04919	8.8
121.06519	7.6
131.04936	13.1
133.02882	10.5
133.06487	16.1
135.08093	23.4
136.05130	5.0
137.06006	41.1
147.04385	16.1
149.05949	9.5
151.07492	14.7
161.05974	21.2
163.07518	62.8
163.24225	4.9
167.07042	100.0
179.07019	22.5
181.08606	32.8
193.08618	32.0
193.10143	4.5
195.10184	72.4
207.10178	12.6
211.09677	49.4
213.11198	43.9
223.09599	8.3
225.11284	5.8
237.11093	8.0
291.12286	7.0
321.13376	7.9
357.58865	5.7
571.99335	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	587.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01615	0.8
53.03956	4.5
55.01880	4.2
55.05517	26.1
57.03445	8.2
57.07080	15.5
60.75800	0.9
65.03954	1.8
67.05511	53.3
68.55189	0.8
69.03419	1.5
69.07074	28.7
71.05003	3.0
71.08639	7.9
71.50244	1.5
77.03949	1.3
78.30427	0.8
79.05500	34.8
81.03436	1.1
81.07064	61.2
83.04984	2.0
83.08627	17.7
85.06563	3.0
85.10194	3.2
87.04472	1.0
88.46074	0.8
91.05489	29.0
93.07052	38.5
95.04989	4.0
95.08614	45.7
97.06548	6.0
97.10179	8.5
99.08100	4.3
105.04533	1.0
105.07039	29.8
107.04958	1.5
107.08601	27.6
109.06527	1.9
109.10163	22.4
111.08072	2.3
111.11752	2.7
113.09690	1.9
117.07021	11.0
119.08591	28.0
121.06558	1.3
121.10151	20.7
123.08119	1.6
123.11723	10.0
125.09650	1.1
129.06999	4.9
131.08577	15.6
133.10141	21.6
135.08046	1.6
135.11703	16.5
137.09621	2.4
137.13242	5.3
139.11188	1.2
142.05779	0.7
143.08578	5.8
145.10135	16.8
147.11697	16.3
149.09630	2.4
149.13263	8.4
151.11215	2.2
151.14853	1.8
153.12801	0.9
155.08578	1.8
157.10123	5.1
159.11713	12.1
159.12892	1.1
161.13274	9.3
163.11177	2.7
163.14857	4.1
165.12740	1.1
166.08209	0.8
169.10139	2.1
171.11615	4.6
173.13260	7.9
175.14857	5.9
177.16461	2.7
179.14355	3.4
183.11771	1.5
185.13306	4.9
187.14879	4.2
189.16440	3.2
191.18050	2.1
197.13319	1.7
199.14864	3.4
201.16446	3.1
203.14265	1.0
203.18036	2.3
205.19577	1.1
211.14828	1.0
213.16457	2.2
215.17982	3.5
217.19569	3.8
219.17456	1.9
219.21130	1.9
225.16383	0.8
229.19582	1.8
231.17526	1.0
233.19051	3.6
233.22633	1.1
235.20656	1.6
237.22104	1.5
239.17833	1.2
239.23749	1.0
241.19720	2.1
243.21091	2.0
247.20702	1.3
257.19022	3.1
259.20688	3.1
261.22202	7.5
271.54306	0.9
273.22150	1.2
275.20132	7.0
275.23102	1.3
277.21637	2.8
281.21252	1.1
295.22681	0.9
301.25476	1.3
307.22519	2.0
309.24185	6.3
311.25873	3.7
313.27811	0.9
317.24692	1.2
329.28439	1.1
333.24338	3.2
335.25861	5.2
337.27463	3.8
397.34894	1.9
475.38528	1.1
495.41986	8.1
513.43030	4.3
569.45709	14.3
587.46729	100.0
588.47034	3.7
600.90405	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65679	1.7
53.03935	7.7
55.01868	5.6
55.05514	31.0
57.03433	14.2
57.07065	2.4
65.03940	4.2
67.05508	87.5
68.20044	2.1
69.03421	3.5
69.07072	21.6
69.55370	14.3
71.01341	3.5
71.04984	6.4
79.05497	65.5
81.03425	31.6
81.07060	66.3
83.04977	5.9
83.08627	13.1
85.06505	2.4
91.05486	43.7
93.07047	57.3
95.04384	4.2
95.04974	73.4
95.08604	42.0
97.06520	4.2
97.10166	12.2
103.05447	2.5
105.04532	2.1
105.07048	26.2
107.04942	17.6
107.08590	37.9
109.02885	12.2
109.06522	11.7
109.10184	18.0
109.10907	3.1
111.04445	4.2
111.08088	3.7
115.23276	2.5
117.07017	15.2
119.08579	20.0
120.76754	1.8
121.06500	7.9
121.10162	24.0
123.04435	82.3
123.08043	3.8
123.11698	5.7
125.09634	9.2
128.06305	2.7
129.07045	11.8
131.04944	2.4
131.08572	20.8
133.06473	4.5
133.10115	16.7
135.04474	2.0
135.08083	4.2
135.11713	21.3
137.05974	3.9
137.09615	4.3
137.32314	2.1
139.03874	2.5
141.06998	2.5
143.08575	11.1
145.06447	4.5
145.10141	25.8
147.08069	8.0
147.11703	10.5
149.05917	3.1
149.09660	4.7
149.13235	4.5
153.09096	8.5
155.08583	6.2
157.06564	2.4
157.10130	6.8
159.11674	8.2
161.09648	2.0
161.13237	5.9
163.11191	18.2
169.10133	4.7
171.10252	2.0
171.11703	9.5
173.09636	9.4
173.13289	5.9
185.13225	2.6
189.12698	13.7
191.10721	3.9
199.11244	2.9
205.12164	2.5
207.13785	16.5
217.12270	11.9
235.13298	100.0
243.21204	2.3
253.14326	5.1
261.22110	10.9
291.15945	2.2
309.16962	55.2
335.25812	95.4
363.25354	2.6
385.05032	2.0
477.33426	5.6
489.25201	2.4
495.34671	3.3
524.88171	2.1
551.37933	5.6
569.30194	4.1
569.38397	52.5
570.38684	3.7
587.39508	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	587.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01870	1.8
55.05283	1.5
55.05518	21.6
57.03440	5.9
57.07079	9.6
65.03934	1.6
67.05510	39.2
69.07074	22.5
69.83788	0.9
71.04981	2.7
71.08632	6.2
72.81473	1.0
79.05501	29.5
81.03412	1.2
81.07063	49.0
83.04966	1.8
83.08624	15.2
85.06560	2.4
85.10188	1.7
91.04928	1.6
91.05483	23.7
92.47183	0.9
93.07049	30.8
95.04975	2.3
95.08613	35.7
97.06516	4.7
97.10167	7.7
99.08105	2.7
105.04536	1.1
105.07042	18.9
107.08598	21.4
109.06525	2.0
109.10159	17.9
111.08092	2.3
111.11735	1.5
113.09609	1.1
115.05474	1.1
117.07026	6.8
119.08584	21.3
121.10151	17.5
123.08108	1.4
123.11697	7.8
129.07045	2.8
131.08574	13.8
133.10141	15.8
135.11697	13.3
137.09642	1.3
137.13274	4.3
139.11194	1.6
143.08598	3.6
144.09375	1.0
145.10143	11.9
147.11702	13.8
149.09639	2.7
149.13245	7.6
151.11198	3.0
157.10123	5.3
159.11707	8.7
161.13258	10.3
163.11218	2.6
163.14819	3.3
169.10185	1.6
171.11740	4.3
173.13246	6.8
175.14809	5.5
177.12816	1.2
177.16426	1.5
179.14354	1.4
183.11678	1.3
185.13310	3.6
187.14877	3.1
189.16393	3.1
194.89734	1.0
197.13234	1.2
199.14833	1.9
201.16489	2.2
203.17986	2.0
205.19594	2.7
211.14906	1.3
213.16441	1.3
215.17989	2.9
217.19565	2.1
219.17339	1.2
229.19473	1.3
231.21155	1.9
233.19102	4.2
237.22240	2.6
241.19620	1.6
243.21205	1.5
245.22507	1.1
247.20992	1.4
257.19070	1.4
259.20636	3.4
261.22134	5.9
273.22055	1.3
275.20074	5.6
277.21701	3.4
299.23724	1.3
305.25073	1.3
307.22787	2.8
309.24222	6.7
311.25760	2.2
333.24301	1.8
335.25888	5.9
337.27536	2.9
383.33121	1.1
495.42059	6.8
503.37204	1.3
513.43494	2.3
568.81390	1.2
569.45789	12.0
587.46722	100.0
588.46979	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
69.03451	2.2
70.55616	3.7
70.56014	4.6
79.05502	2.7
81.03435	3.3
85.02937	4.3
91.05489	6.5
97.02902	6.1
99.04485	2.8
102.04687	2.2
103.05476	31.3
105.07048	8.2
107.04942	2.1
109.02921	4.1
115.05482	2.0
119.04965	3.6
121.06516	2.8
127.03959	3.5
131.04950	100.0
132.48288	1.8
133.06522	3.4
137.06003	37.4
139.03871	1.8
141.05399	2.0
145.02859	3.3
147.04437	9.9
149.05997	5.5
151.07545	3.5
160.05302	2.1
161.06012	49.3
162.06770	8.8
163.04068	2.2
163.07574	73.9
165.07011	2.7
167.07028	4.2
169.06523	3.8
177.05479	4.5
179.07071	13.6
187.07532	6.3
191.07135	2.6
193.08647	1.9
203.07033	10.0
205.08620	69.1
229.08598	2.7
233.09743	3.5
251.07065	7.0
253.08574	2.0
257.07953	2.0
270.08960	3.6
279.10147	4.2
283.09933	10.9
285.11072	3.3
287.09146	2.1
297.11237	21.4
311.12680	9.0
323.11249	2.6
325.10840	2.2
327.12198	2.5
329.13882	30.6
424.14243	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01861	2.1
55.05511	24.2
57.03427	7.9
57.07073	9.9
67.05506	55.9
69.07079	26.0
71.04999	4.3
71.08617	6.1
71.50877	2.9
79.05498	35.5
81.07058	55.8
83.04972	5.9
83.08627	15.9
85.06538	3.0
89.06022	4.1
91.05479	27.9
93.07050	43.1
95.04979	4.7
95.08616	41.3
96.39870	2.0
97.06499	6.0
97.10160	10.4
104.05511	1.9
105.06408	3.3
105.07040	36.5
107.08614	25.3
109.06539	2.7
109.10168	19.6
111.08098	4.0
111.11716	2.1
117.07014	12.4
119.08585	29.8
119.28277	2.2
120.16476	1.9
121.06496	2.9
121.10138	20.5
123.11688	7.1
128.06223	2.5
129.07007	7.7
131.08572	30.2
133.08580	4.1
133.10144	27.8
135.08046	3.0
135.11696	14.8
139.11244	3.4
141.07036	2.8
142.07817	4.3
143.08549	12.4
145.10146	26.5
147.11708	17.0
149.09552	2.7
149.13268	7.0
155.08582	4.4
157.10139	14.5
159.11703	24.3
161.09485	2.2
161.13226	12.4
163.11162	3.9
169.10147	7.6
171.11694	9.3
173.13332	13.1
175.14893	5.5
177.11201	2.3
177.12657	3.7
181.10114	3.0
183.11682	7.1
185.13255	9.8
187.14844	8.3
189.16347	3.0
193.09894	2.8
195.11687	2.3
197.13223	4.1
199.14842	4.9
201.16437	5.2
203.17950	2.2
211.14798	4.5
215.17975	4.8
218.04823	2.1
223.14786	2.6
229.19543	2.6
231.17389	2.7
231.21156	3.0
241.19699	2.3
249.11143	4.4
256.26163	2.3
257.19000	4.2
259.20587	7.7
275.20044	6.1
300.28925	3.1
306.81000	2.5
307.22589	3.0
309.24283	5.5
317.24655	2.2
327.07788	2.1
335.25735	5.2
372.23245	2.3
374.16028	2.1
458.80649	2.2
475.39258	3.6
493.40594	10.3
511.41266	4.6
525.25415	2.7
567.43927	7.3
585.28644	4.4
585.37354	16.3
585.44989	100.0
585.56042	9.2
605.39734	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4514
Annotation	Hericene C
Peak:m/z	Relative Intensity
53.03921	2.0
55.01879	2.5
55.05515	17.4
57.03433	6.2
57.07067	3.8
59.62939	1.1
61.90695	1.0
67.05510	39.9
69.07073	16.9
69.95016	1.1
70.31619	1.0
71.04989	2.4
71.08648	2.0
76.20978	1.0
79.05502	27.6
81.07064	49.3
83.08627	7.6
85.06568	2.5
89.06032	1.1
91.05488	21.9
93.07047	34.1
95.04957	2.7
95.08617	39.5
97.06540	4.6
97.10194	5.3
99.08073	1.6
103.05524	1.6
105.04514	1.5
105.07038	24.2
107.08604	22.2
109.06544	1.4
109.10168	23.2
111.08110	1.4
111.11756	1.3
115.05479	1.7
117.07027	9.8
119.08590	22.5
121.10159	17.7
123.11724	9.6
125.09657	1.5
128.06209	1.3
129.07008	6.0
131.08572	16.7
133.10143	22.0
135.08066	1.3
135.11699	14.1
137.13284	3.1
141.07033	1.4
142.07785	1.5
143.08592	6.9
145.10132	17.2
147.11690	16.2
149.09654	2.3
149.13260	9.2
151.14867	1.3
155.08606	2.0
157.10129	8.9
159.11714	15.2
161.13246	7.7
163.14839	3.4
167.08575	1.5
169.10155	2.8
171.11670	8.3
173.13277	11.5
175.14909	7.0
177.12659	1.6
177.16286	1.5
183.11678	3.3
185.13268	7.5
187.14845	5.8
189.16437	3.8
191.14418	1.7
191.18057	1.6
197.13313	2.6
199.14867	3.6
201.16460	4.2
203.18007	2.1
205.19579	1.3
211.14792	2.2
213.16454	4.6
215.14279	1.1
215.18063	6.1
223.14952	1.0
225.16472	1.3
227.18044	1.7
229.19601	1.7
231.17511	4.1
231.21059	1.7
233.19020	3.0
237.16324	1.2
241.19618	2.5
251.17276	1.1
259.20544	5.8
261.22247	4.5
273.22192	1.5
305.21188	1.6
307.22766	5.6
309.24420	2.3
333.24313	3.4
335.25720	7.1
337.27490	3.1
341.28464	1.5
461.32550	1.5
475.34009	1.6
475.39584	1.2
493.40356	7.1
501.35834	1.8
503.37982	1.4
511.41302	3.2
515.37598	1.6
548.76257	1.1
551.09998	1.2
567.44061	11.3
585.45160	100.0
586.45441	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01878	5.0
55.05513	29.0
57.03444	5.6
57.07071	5.2
60.46127	0.7
67.05507	57.6
69.07068	25.0
71.04992	2.2
71.08630	2.5
79.05495	38.1
81.03420	0.8
81.07059	60.8
83.04978	2.9
83.08620	16.0
85.06529	2.9
91.05485	30.5
93.07045	38.9
95.04978	2.7
95.08608	46.1
97.06534	4.9
97.10164	7.0
98.21539	1.8
99.08085	2.3
103.05450	1.2
105.07032	32.3
107.04991	2.8
107.08598	28.2
107.44144	0.9
109.06551	2.4
109.10159	21.9
111.08115	2.4
111.11676	1.1
115.05479	1.2
117.07028	14.3
119.08583	26.6
121.06561	1.5
121.10150	22.1
123.08053	1.0
123.11726	10.5
125.09631	2.0
128.06174	0.9
129.05574	1.1
129.07016	7.3
130.07802	1.7
131.08577	20.4
133.10130	24.7
135.08058	2.1
135.11702	17.4
137.09598	1.7
137.13260	4.5
141.06984	2.5
143.08577	8.1
144.09346	0.9
145.10135	20.6
147.11687	15.7
147.82101	0.8
149.09656	2.8
149.13284	8.7
151.14815	1.4
155.08562	4.2
157.10158	8.9
159.08023	1.0
159.11696	15.3
161.13278	10.4
163.11240	2.9
163.14859	2.7
169.10152	3.3
171.11711	10.2
173.13278	13.4
175.11197	1.3
175.14864	5.0
177.16476	1.5
179.14383	1.6
181.10139	1.2
183.11731	4.1
185.13283	7.4
187.14832	6.6
189.16409	3.7
191.18019	1.4
195.11758	1.1
196.12558	0.9
197.13295	2.6
199.14789	5.6
201.12758	0.8
201.16443	4.8
203.17978	3.1
205.15889	1.3
205.19519	1.6
209.13356	1.7
211.14870	2.0
213.14714	1.3
213.16451	5.9
215.18054	5.0
217.19560	2.2
219.17473	1.8
219.21294	0.8
223.14894	0.9
225.16406	1.5
227.18001	2.3
229.19502	1.7
231.17484	4.0
233.19061	3.0
237.22141	1.8
239.18034	1.1
241.19656	2.7
243.17323	0.9
243.21088	1.7
245.19008	1.4
247.20631	1.6
248.77635	0.9
249.18555	0.9
257.19095	1.9
259.20566	4.6
261.22202	5.3
271.20859	0.8
273.18607	1.0
273.22043	1.2
275.20084	4.7
285.22189	1.7
289.21906	0.9
289.25134	0.8
299.23788	1.5
301.25531	0.9
305.21201	1.5
307.22586	5.2
309.24329	3.5
313.25400	1.0
315.23334	1.1
317.24673	0.9
319.22693	1.0
325.25284	1.2
333.24292	2.9
335.25729	6.0
337.27451	4.0
338.98724	0.8
355.30118	1.2
361.27676	0.9
369.31827	1.0
401.30606	1.1
461.33072	1.3
470.71255	1.1
475.33923	1.6
493.40390	7.5
511.41553	4.3
515.37457	1.8
567.44037	10.7
585.45148	100.0
586.45880	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01864	7.2
55.05519	32.6
57.07079	16.6
63.76405	3.2
67.05512	34.0
68.10972	3.8
69.03417	6.3
69.07072	43.6
70.09843	4.7
70.10246	9.7
71.08638	6.2
79.05498	51.8
80.06271	3.3
81.03423	4.7
81.07063	67.1
83.04948	6.3
83.08608	23.9
85.06546	4.7
85.10184	3.4
89.06030	12.0
91.05486	61.8
93.06488	5.9
93.07050	75.7
94.61464	2.8
95.04987	19.0
95.08617	42.4
97.06528	7.2
97.10161	13.1
100.45202	3.9
103.05494	4.7
105.04543	4.0
105.07040	100.0
107.04926	3.9
107.08601	57.3
109.06519	15.3
109.10152	42.8
112.99284	2.9
113.84280	3.3
115.05465	3.9
116.06239	3.6
117.07020	25.9
119.08598	88.2
121.06516	5.5
121.09328	6.8
121.10152	71.6
123.08074	14.5
123.11698	13.5
128.06239	12.9
129.07016	17.1
130.07837	8.5
131.08592	37.0
133.06572	4.6
133.10132	55.1
135.08037	4.5
135.11705	26.6
137.09608	12.0
139.11192	10.0
141.06906	3.6
142.07776	9.8
143.08575	34.5
144.09334	9.3
145.10126	69.5
147.08075	6.5
147.11691	40.6
149.09625	12.6
155.08528	11.6
156.09312	8.1
157.10147	45.5
159.11714	27.8
161.09528	5.0
161.13275	12.9
163.11168	10.9
165.07050	5.9
165.09172	4.8
167.08597	6.8
167.10672	35.6
169.10092	24.4
170.10860	9.3
171.11717	26.7
173.09712	3.8
173.13298	19.1
175.11220	3.7
175.14799	13.9
179.08527	7.2
180.09293	3.7
181.10126	7.0
181.12247	6.5
182.10883	8.5
183.11720	15.9
184.12292	5.0
185.13257	17.9
187.14838	10.0
191.14464	4.7
193.10071	3.7
194.10919	5.6
195.11700	14.8
196.12386	4.8
197.13280	21.1
199.14876	9.1
201.16412	9.2
203.14296	5.8
206.10840	3.8
207.11639	6.5
209.13303	9.7
210.13953	3.7
211.14853	12.4
213.16327	5.3
221.13243	8.2
221.15273	7.2
223.14832	13.4
225.16566	5.0
229.19714	4.3
233.13214	4.0
235.14769	6.9
237.16299	4.9
237.21921	5.2
249.16571	3.8
265.19531	5.0
275.20010	13.9
283.20984	3.5
332.86932	3.3
363.26794	5.8
417.52023	3.2
549.40594	4.8
550.41235	3.9
567.42084	4.7
585.44476	42.7
585.56287	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	585.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.8
55.05511	4.7
55.75098	0.6
57.03418	1.0
57.07052	2.7
59.04983	0.8
67.05511	9.2
69.03393	1.1
69.07069	4.6
70.06593	0.8
71.08601	1.1
71.50689	1.0
79.05502	7.4
80.05801	1.0
81.07060	10.4
82.07369	1.2
83.04933	1.4
83.08585	3.0
83.20032	0.7
85.10175	0.7
86.28551	0.6
91.05017	0.7
91.05482	9.2
92.05779	1.0
93.06519	0.7
93.07047	12.0
94.07345	1.2
95.04926	1.8
95.08620	9.9
96.08916	1.4
97.06509	0.9
97.10137	0.8
105.07043	13.1
106.07314	3.0
107.04943	1.1
107.08595	8.0
108.08873	1.9
109.06496	1.5
109.10164	6.1
114.07158	0.7
116.67648	0.7
117.06982	2.2
118.07283	1.2
119.07841	1.0
119.08585	12.4
120.08884	3.4
121.10153	6.2
122.10439	1.9
123.08010	2.1
123.11701	1.4
124.08305	0.9
125.09571	1.2
128.06174	1.3
129.06992	1.7
130.07747	0.9
131.08591	6.0
132.08865	0.9
133.10132	7.9
134.10434	1.6
135.08005	2.0
135.11621	3.0
136.11993	1.1
137.09555	1.7
141.06898	1.3
142.07712	3.0
143.08592	4.6
144.08916	1.5
144.16417	0.8
145.10133	9.7
146.10402	3.0
147.08011	1.6
147.11639	4.1
149.09549	2.0
151.07468	2.2
152.07835	1.6
155.08495	2.8
156.09322	1.5
157.10150	6.9
158.10471	3.0
159.11717	5.4
160.11998	2.0
161.09596	1.2
161.13181	2.0
162.13640	1.1
163.11180	1.0
165.09044	2.9
165.96805	0.7
166.09398	1.7
167.08447	0.8
168.56909	0.7
169.10037	2.5
170.10674	1.4
171.11751	3.9
172.11960	2.0
173.09645	0.8
173.13126	2.8
174.13467	1.0
175.11053	0.8
175.14841	1.8
176.15085	1.3
180.08969	0.8
181.10103	1.9
182.10770	1.1
183.11661	4.1
184.12125	1.4
185.13191	2.8
187.14729	1.3
189.12608	0.7
193.10001	1.1
194.10721	0.8
195.11496	2.4
196.12088	1.7
197.13107	2.6
198.13507	1.2
199.14771	1.1
201.16292	1.0
203.14291	1.4
204.14601	0.8
206.10532	0.8
207.11665	0.8
208.12047	1.0
208.13988	1.2
209.13040	2.9
210.13565	2.7
211.14827	1.1
221.13300	1.4
221.15274	5.0
222.13724	0.8
222.15688	3.9
223.16223	1.0
224.15036	2.0
225.16223	1.7
233.12909	0.8
235.14720	1.3
237.16203	1.2
245.92389	0.8
247.14503	0.8
248.14940	0.8
251.12497	9.9
255.17352	0.9
258.19437	0.8
261.16101	1.1
271.20313	0.7
275.20059	1.1
283.20078	0.8
298.22345	1.0
301.21341	0.8
307.14978	2.6
311.29364	1.2
325.56848	0.8
335.25690	1.8
405.30469	1.1
567.41278	7.0
584.55658	1.8
585.37122	100.0
585.55463	3.9
586.37463	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44724	0.2
52.70990	0.3
53.03941	1.7
53.29814	0.2
55.01875	1.3
57.03453	0.3
65.03939	1.9
68.65332	0.3
68.99783	0.5
69.03438	2.1
71.01350	0.7
71.04988	0.6
79.05486	0.4
81.03422	12.0
85.02914	2.6
88.88042	0.3
91.05511	0.3
93.03404	2.8
95.04979	0.8
97.02898	5.1
98.21573	0.5
99.04467	1.2
105.07029	0.2
107.01344	0.5
107.08602	0.3
109.02878	3.8
111.00809	0.4
111.04449	4.4
119.04964	0.3
121.02875	13.5
123.04390	0.3
127.03939	2.9
133.02847	0.3
137.02354	100.0
137.03421	8.7
138.02654	0.4
139.03932	1.4
145.04953	1.1
147.04405	0.9
151.83459	0.3
153.01811	2.5
155.03403	10.7
161.05986	0.5
163.03894	0.4
165.01854	1.1
167.07053	0.7
171.04330	0.2
183.02953	0.6
185.05992	0.4
213.05490	1.0
229.05148	0.3
241.04918	0.3
258.05273	0.9
265.07141	1.0
281.06577	10.2
287.05515	60.7
288.05841	0.9
299.07867	2.4
303.04987	5.0
329.06549	0.6
410.07404	0.4
486.93375	0.3
529.78955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01863	2.1
55.05507	1.0
65.03940	9.2
67.05492	2.2
68.19118	0.5
68.86528	0.6
69.07045	0.6
69.19569	0.6
69.86227	3.1
70.57803	0.5
78.04734	0.7
78.22111	0.7
78.38827	0.6
79.05495	2.4
81.03410	1.4
81.07056	1.6
82.04226	1.1
83.04977	1.7
85.02913	1.3
91.05491	2.9
93.03416	5.3
93.07049	1.3
95.01309	0.9
95.04971	2.3
97.02857	0.7
97.06557	0.6
97.10180	0.7
98.20835	0.9
98.39841	0.5
105.07008	0.7
107.04952	3.6
107.08568	1.1
108.02107	1.5
109.02888	1.5
109.06526	0.8
110.03683	6.8
111.04455	5.5
117.07004	0.9
119.08601	1.1
121.02883	16.1
121.03834	0.8
121.06509	1.6
121.10224	0.5
123.04441	0.9
124.05270	0.5
125.06008	9.2
131.04918	1.4
132.05577	0.7
133.02866	0.8
133.06500	1.1
135.04395	1.2
135.08058	0.7
135.11725	0.6
137.02296	1.0
137.05962	3.5
138.03140	1.1
143.04851	0.8
145.06442	0.9
146.03615	0.7
147.04427	1.2
147.08083	1.0
147.11702	0.7
149.02322	2.2
149.05942	1.2
150.52708	0.5
151.03915	25.0
151.05017	1.8
151.07520	1.8
153.01862	1.3
153.05481	18.0
159.08083	1.5
161.06050	3.0
161.09602	1.7
163.03844	1.3
163.07602	0.8
165.05556	1.2
165.07010	1.9
166.07712	0.9
167.07079	4.9
167.08498	1.0
169.06406	0.8
174.06679	0.8
175.07574	1.9
177.05458	2.3
178.06250	0.9
178.07719	0.7
179.07080	0.7
181.04953	3.5
181.06491	1.8
183.08023	0.9
184.05176	1.0
187.07588	1.3
189.09125	1.7
193.08563	0.8
193.10201	0.9
194.07251	1.1
195.06474	1.2
195.08090	2.2
195.10031	0.7
197.06006	1.3
201.09145	0.6
202.07771	0.8
202.88269	0.6
206.07288	1.2
207.08107	1.3
207.10091	1.0
209.06111	0.7
210.06778	2.4
210.10283	0.7
211.07585	1.2
212.08420	1.0
213.09061	0.7
219.10107	0.8
221.06017	1.6
221.09677	2.4
222.06786	0.8
222.10396	1.3
223.07642	3.4
223.11188	1.0
224.08173	1.3
225.09111	3.0
227.07054	2.4
227.10725	1.0
234.06908	1.0
235.07623	0.8
237.09158	2.2
238.06158	2.9
238.09842	3.0
239.06993	2.6
239.10670	1.0
240.07788	7.8
241.08539	0.9
249.05544	0.9
249.09068	1.8
249.11325	0.7
250.10054	0.9
251.07098	1.9
251.10727	1.2
252.07813	2.6
253.08623	13.3
253.12242	5.5
254.09433	2.4
255.06596	2.1
255.10210	4.6
257.08060	1.0
263.06970	0.9
265.08704	0.9
266.09375	2.6
267.06558	1.2
267.10190	2.3
268.07349	1.9
269.08157	2.5
270.08899	2.5
271.12915	1.0
277.08667	2.0
279.06607	0.6
279.10016	1.0
281.08127	4.1
281.11426	4.6
282.08826	2.0
283.09698	6.9
284.10297	2.9
285.08047	0.9
285.11209	3.4
285.14893	2.0
287.05518	3.4
294.08960	1.0
295.09607	2.1
297.11356	2.0
298.08743	0.8
298.12033	2.3
299.09387	1.0
299.12726	6.2
300.10037	0.9
301.14224	0.7
303.04996	14.2
309.11224	5.4
310.12012	2.2
313.10730	9.4
313.14398	4.6
325.10861	0.8
326.11371	1.2
327.12289	24.7
328.13080	2.0
331.15344	3.3
339.12280	1.6
341.13834	4.3
343.15268	0.8
353.13773	0.9
357.13388	4.4
359.14914	100.0
360.15262	1.3
361.16556	0.7
371.15015	4.6
372.15640	1.7
387.13757	0.7
561.30817	0.6
567.29926	0.8
585.22565	2.2
585.29962	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.124
Annotation	Vitexin 2''-O-gallate
Peak:m/z	Relative Intensity
53.03952	1.9
55.01872	0.8
57.03455	0.5
63.04339	0.4
65.03946	1.7
67.01851	0.4
69.03429	3.0
69.85551	2.1
71.05006	0.6
75.04474	0.4
81.02937	0.8
81.03420	12.4
85.02911	2.3
85.58688	0.5
93.03417	2.8
95.04998	0.6
97.02895	5.1
98.21502	0.9
99.04469	1.3
109.02882	3.8
111.04458	3.8
121.02872	16.3
127.03954	3.9
137.02354	100.0
137.03419	7.7
139.03926	1.6
140.95175	0.4
145.04922	0.7
147.04453	1.2
153.01843	2.1
155.03407	9.9
165.01866	1.4
213.05521	1.3
231.06725	0.6
241.05099	0.6
258.05295	1.0
265.07108	1.3
281.06564	9.6
283.57040	0.5
287.05511	58.8
299.07703	2.3
303.04953	6.8
397.62988	0.5
452.58331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82418	4.9
55.05497	20.1
57.07067	15.2
65.03922	6.5
67.05515	27.8
69.03435	10.2
69.07069	17.0
69.75370	32.7
71.08656	6.3
79.05494	33.4
81.07058	33.9
83.08633	9.9
85.06530	6.5
85.24864	5.0
89.06034	47.4
91.05492	41.8
93.07043	69.2
95.04965	10.4
95.08612	36.8
97.06530	12.1
105.07035	75.8
107.08600	49.3
109.06520	7.2
109.10171	21.1
115.05479	6.4
116.06364	5.5
117.07025	17.0
119.08588	95.1
121.06518	7.0
121.10150	34.3
123.08109	9.0
128.06247	12.5
129.07013	15.7
131.08583	45.8
133.08675	27.3
133.10141	51.9
135.08023	12.7
135.11703	13.9
137.09616	11.5
141.06987	6.9
142.06281	5.5
142.07768	17.8
143.08571	53.0
144.09349	9.8
145.10127	57.8
147.08057	20.9
147.11661	25.5
149.09630	10.4
151.07607	9.1
155.08562	18.2
156.09381	17.0
157.10117	62.3
158.10902	9.4
159.11688	39.7
160.08846	17.0
161.09679	10.8
161.13257	11.0
165.09126	33.5
167.08566	15.2
168.09427	6.3
169.10167	29.7
170.10957	7.5
171.11746	34.0
173.09683	9.0
173.13304	28.2
175.11218	9.1
175.14824	10.2
177.11284	10.0
179.08533	11.3
181.10156	15.7
181.12306	6.2
182.10861	10.0
183.11702	24.4
184.79587	5.8
185.13284	24.0
187.11223	6.5
187.14967	11.3
189.12846	7.0
190.13626	7.4
191.14397	7.7
193.10179	9.8
193.12303	7.6
194.10916	10.8
195.11705	20.8
196.12224	7.5
197.13301	26.8
199.14771	10.9
201.16383	8.5
203.14333	15.8
207.11816	11.0
207.13748	11.5
208.12439	6.5
208.14569	7.5
209.13232	23.0
211.14769	13.3
219.11670	6.2
221.13371	10.2
221.15331	63.0
223.14851	16.1
225.16325	8.6
234.16154	8.0
235.14801	8.1
237.12653	6.6
237.16492	8.4
247.16982	11.7
249.16382	7.4
251.17891	12.3
299.20059	13.3
300.28918	12.6
325.21631	20.7
352.24033	79.8
365.24802	17.3
371.22800	14.7
398.28357	7.0
412.29584	15.9
438.31406	12.7
480.81955	5.3
489.33920	8.1
491.35074	8.1
492.35590	9.7
504.36139	100.0
538.88391	6.8
566.41217	7.7
584.42004	40.8
584.55902	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.05508	6.6
57.07081	7.8
57.07312	1.4
59.05021	1.7
65.03930	1.8
67.05502	10.7
69.03439	3.6
69.07054	4.5
70.06596	1.8
71.08620	3.8
71.50768	1.7
74.13242	1.6
79.05497	13.4
81.07066	13.6
83.04993	3.2
83.08606	3.7
85.06561	2.2
85.10177	1.8
87.04461	5.2
88.07628	1.3
89.06039	100.0
91.05482	21.3
93.07047	21.6
95.04984	8.9
95.08595	12.3
97.06535	2.8
103.05505	1.9
104.67972	1.3
105.07038	33.2
107.04920	1.5
107.07108	1.4
107.08607	18.5
109.06514	1.9
109.10166	11.9
111.08080	2.0
115.05472	2.4
117.07031	10.9
119.08596	34.7
120.09368	2.2
121.10153	18.9
123.08093	6.6
123.11712	4.3
128.06232	4.5
129.07018	5.7
130.07776	5.7
130.08629	1.7
130.16727	1.4
131.07074	2.0
131.08580	17.2
132.09396	1.6
133.08612	57.3
133.10100	16.9
135.08049	4.2
135.11728	6.9
137.09613	4.4
141.07016	3.1
142.07802	7.5
143.08578	14.8
144.09364	2.7
145.10144	25.5
146.07329	1.5
147.08070	3.9
147.11697	9.1
149.09633	2.2
149.13287	1.9
154.07875	1.3
155.08556	7.1
156.09364	6.7
157.10144	21.3
158.10951	2.8
159.08069	3.6
159.11710	14.1
161.09583	4.2
161.13290	3.1
165.06934	1.8
167.08636	4.9
167.10661	3.2
168.09436	3.1
169.10132	10.6
170.10880	2.9
171.11691	10.9
172.12489	2.2
173.09546	1.4
173.13298	8.9
175.11197	3.8
175.14885	3.4
177.11243	25.1
179.08568	3.6
180.09369	2.9
181.10141	5.8
182.10893	2.9
183.11702	11.1
184.12485	1.8
185.09648	2.0
185.13307	7.0
186.13849	2.1
187.11163	2.7
187.14841	5.5
189.12708	2.1
191.14330	1.7
193.10162	4.1
194.10922	2.7
195.11714	7.9
196.12492	3.4
197.13226	8.1
199.14790	4.3
201.16510	2.0
207.11671	5.4
208.12376	2.2
209.13255	7.7
211.14830	5.5
213.16443	4.2
215.14284	1.5
219.11740	3.2
221.13617	5.2
222.14149	2.1
223.14876	4.3
225.12720	1.7
225.16319	3.0
230.11040	1.4
233.13268	2.9
233.15497	1.8
235.14807	2.9
237.16434	3.5
239.14743	2.1
239.17828	2.0
255.17433	6.6
256.26376	3.2
257.19174	1.7
261.16425	3.3
265.19348	2.1
280.87454	1.5
283.17493	4.5
283.26306	3.0
298.07281	1.6
300.29074	5.3
306.15109	1.6
311.29504	7.4
323.23648	1.6
327.20084	2.8
349.25388	1.7
371.22760	29.9
444.93658	1.7
492.35794	7.9
584.42169	5.0
584.56213	18.5
591.00311	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31633	1.7
53.03940	5.4
55.05513	12.4
57.07083	14.2
59.04993	3.3
65.03936	4.1
67.05512	20.6
67.08077	1.7
69.03434	6.5
69.07074	13.6
70.06578	2.0
70.56021	1.6
71.08617	1.9
71.10591	3.0
79.05504	23.2
79.58842	1.7
81.03429	2.5
81.07060	32.2
83.04998	4.2
83.08622	6.4
84.57864	1.7
85.06535	6.8
89.06026	10.8
91.05484	44.2
93.07042	49.3
94.22835	1.6
95.04983	8.8
95.08612	33.3
97.06533	5.2
97.10171	2.6
103.05473	4.4
105.04505	1.8
105.07037	78.0
106.07862	2.2
107.08595	37.1
108.90779	1.9
109.06523	11.3
109.10162	18.6
111.08097	2.7
115.05463	5.0
117.07024	21.2
119.04916	2.1
119.08589	93.9
120.09417	3.2
121.06510	5.1
121.10150	29.9
123.08045	10.0
123.11707	2.9
125.06006	3.8
128.06241	9.9
128.07031	1.7
129.07043	16.7
130.07787	7.8
131.08572	49.5
132.09367	4.0
133.06503	3.1
133.08656	7.9
133.10139	41.9
133.18613	1.7
134.10887	2.5
135.08072	18.1
135.11682	14.2
137.05989	2.5
137.09641	10.4
139.07550	1.9
141.06981	7.5
142.07761	17.6
143.08569	37.2
144.09361	12.5
145.06541	2.3
145.10133	63.1
146.10736	1.8
147.08052	19.9
147.11691	18.5
149.09636	7.9
149.13277	2.4
151.07558	7.8
151.11206	2.7
153.07057	4.0
155.08580	18.8
156.09372	14.6
157.10135	66.0
158.10909	11.7
159.08055	6.2
159.11696	38.1
160.12425	4.6
161.08495	1.7
161.09608	9.8
161.13280	9.3
163.11153	11.4
165.07031	4.2
165.09122	27.1
166.07732	3.4
167.08585	7.1
168.09378	6.0
169.10129	26.0
170.10904	9.9
171.08075	2.7
171.11697	33.1
172.12444	6.6
173.09601	6.2
173.13264	20.3
175.11194	13.9
175.14836	11.6
177.12747	2.9
179.08574	7.8
180.09348	3.4
180.11453	2.3
181.10126	15.0
181.12247	10.5
182.10870	7.0
183.11700	29.4
184.12436	5.5
185.09624	2.9
185.13280	18.9
187.11250	4.6
187.14781	9.4
189.12779	9.9
190.13515	5.7
191.10667	5.4
191.14311	2.6
192.09412	3.8
193.10135	8.6
193.12068	8.8
194.10992	9.6
195.11710	18.7
195.13565	2.4
196.12486	5.9
197.09630	2.1
197.13254	18.0
199.11191	7.2
199.14816	8.0
201.12799	5.6
201.16385	4.8
203.10806	1.7
203.14340	17.4
205.10143	1.8
206.10910	5.2
207.11693	9.8
207.13814	8.2
208.12442	5.9
208.14606	6.8
209.13286	17.6
209.15196	3.0
210.13945	3.8
211.11099	4.7
211.14841	11.2
213.12732	4.6
213.16412	1.9
215.14465	2.4
217.15897	3.2
219.11774	3.5
219.13899	4.8
221.13258	8.9
221.15347	50.9
222.13969	3.4
223.11179	2.6
223.14764	14.9
224.15562	2.2
225.12750	3.2
225.16351	4.2
227.14294	2.5
229.15889	3.2
231.11632	1.8
233.13277	6.6
233.15417	2.9
234.16103	12.3
235.14851	7.4
236.15529	3.1
237.12773	5.6
237.16429	6.1
238.17177	2.1
239.17992	3.1
243.13892	2.1
245.15596	1.7
247.14932	3.7
247.16966	9.3
249.16420	4.1
251.14259	2.2
251.18053	2.0
253.15904	4.0
253.19446	3.0
259.14673	2.9
259.17139	2.3
261.16339	2.5
263.17984	3.8
265.19641	3.4
267.17410	2.9
269.15234	1.7
269.19006	2.3
271.17087	3.7
273.16229	2.3
274.19308	2.5
277.16052	2.0
281.19080	3.4
283.20346	3.0
285.18686	3.2
286.19357	2.9
287.20221	2.7
296.21313	4.0
297.18704	2.7
297.22083	2.2
299.20032	8.9
300.20969	2.3
305.19101	2.1
311.20074	2.7
311.29510	5.3
312.20844	3.0
312.24326	2.7
319.20465	3.1
325.21640	9.7
337.21542	10.2
337.25089	1.9
352.23962	76.4
361.25308	2.2
365.24622	13.9
391.26456	4.2
397.27274	5.3
398.28113	7.6
404.30612	7.2
411.28833	3.5
412.29755	19.1
423.28830	3.4
425.30383	3.2
426.31293	1.8
438.31339	16.9
450.93448	2.0
461.37207	1.9
489.33621	5.5
491.35266	12.6
492.35297	4.9
504.36011	100.0
566.40320	2.4
569.39819	4.0
584.42206	17.5
584.56396	12.4
585.44073	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
54.16178	1.2
55.05520	7.8
57.07077	9.7
59.04996	2.4
65.03924	1.2
67.05515	13.3
69.03418	5.0
69.07072	10.8
70.08244	5.4
77.03937	2.0
77.19892	1.2
79.05496	17.2
81.07064	22.0
83.04967	4.2
83.08617	2.8
85.06538	3.5
89.06042	3.2
91.05480	28.3
93.06490	2.2
93.07050	33.3
95.04948	6.0
95.08608	20.3
97.06511	2.6
103.05481	1.8
105.07034	52.6
106.07838	2.1
107.08598	31.2
108.29716	1.1
109.06514	5.4
109.10165	12.7
111.08066	2.9
111.56586	1.4
115.05443	2.8
116.06208	1.8
117.07024	16.5
119.08588	63.8
120.09394	3.1
121.06493	5.5
121.10158	22.1
123.08092	10.5
123.11721	2.7
125.06001	2.5
125.09547	1.5
128.06241	6.8
129.07054	11.8
130.07794	4.3
131.08569	33.2
132.09308	1.5
132.80333	1.1
133.06503	2.5
133.08568	5.0
133.10132	30.2
134.10887	1.5
135.08067	11.1
135.11694	14.0
137.09607	9.9
137.13249	1.1
141.06981	5.2
142.07793	16.3
143.07533	2.1
143.08577	29.0
143.93051	1.4
144.09386	9.5
145.06465	2.1
145.10129	46.4
146.10870	3.0
147.08069	14.8
147.11685	10.0
148.08719	1.5
149.09666	6.1
149.13197	2.5
150.33836	1.3
151.07541	7.6
151.11148	1.5
153.07048	1.8
154.07773	1.5
155.08549	13.1
156.09380	13.9
157.10136	46.2
157.49962	1.4
158.10944	7.0
159.08080	5.0
159.10481	1.9
159.11708	24.6
161.09616	7.4
161.13229	6.0
163.11189	10.1
163.14928	1.4
165.06999	3.0
165.09131	23.7
167.08638	5.9
168.09378	4.7
169.10132	18.9
170.10909	9.3
171.08067	2.1
171.11697	26.4
172.12459	7.5
173.09608	4.0
173.13289	16.8
174.10333	1.5
175.11226	12.5
175.14830	12.3
177.11324	1.9
177.12764	3.5
178.09874	1.6
179.08614	6.6
179.10715	2.1
180.09329	4.0
180.11357	1.2
181.10162	10.9
181.12250	8.7
182.10966	6.6
183.11713	19.2
184.12466	4.0
185.09662	2.1
185.13243	17.0
187.11226	3.7
187.14815	7.1
189.12746	5.2
190.13521	5.0
191.14331	2.5
192.09354	1.9
193.10104	6.6
193.12074	7.5
194.10838	4.4
194.78616	1.3
195.11687	14.8
196.12405	5.3
197.09659	3.2
197.13287	15.2
198.10362	1.9
198.13911	2.3
199.11192	5.5
199.14781	5.1
200.15637	2.0
201.12746	5.2
201.16373	2.9
203.14346	14.1
205.10074	1.8
205.12018	1.7
206.10898	3.4
207.11674	7.4
207.13788	6.2
208.12488	4.2
208.14621	4.2
209.13290	14.9
209.15234	2.7
210.10431	1.6
210.14020	3.3
211.11227	2.4
211.14839	9.4
213.12730	3.4
213.16408	2.9
215.14360	2.5
217.12233	1.8
217.15845	2.3
219.11734	2.7
219.13629	2.8
220.12430	2.4
221.13255	9.3
221.15335	51.9
222.13902	2.3
223.11224	2.1
223.14851	9.7
225.12706	3.3
225.16400	5.1
226.13818	1.5
227.14307	2.8
233.13239	2.3
233.15329	1.7
234.13980	1.7
234.16087	11.0
235.14771	7.0
236.15634	2.3
237.12814	4.4
237.16376	7.0
238.17191	1.4
239.14325	2.1
239.17915	2.2
241.15868	2.3
246.13843	2.1
247.14789	2.6
247.16954	9.4
249.16380	4.3
250.16991	2.1
251.14383	2.8
251.18062	2.8
253.15884	3.4
255.17484	1.9
259.17078	2.2
261.16327	3.1
263.17886	5.9
265.19547	3.0
267.17517	2.7
271.17017	2.4
273.16275	1.9
274.19348	2.7
277.15839	1.6
277.19302	1.4
279.17487	2.9
281.19012	4.0
283.20523	3.6
285.18533	1.9
286.19247	2.9
287.20163	3.0
295.20444	1.9
296.21121	1.6
297.18677	1.7
297.22049	2.2
299.20102	9.9
300.20682	2.0
303.21201	1.7
307.20416	1.7
309.22147	1.6
310.19623	1.6
311.19998	3.3
311.29349	1.9
312.20859	2.1
312.24341	2.5
319.20673	2.2
321.18521	1.6
325.21637	11.1
333.37695	1.3
337.21512	8.6
349.21536	1.7
351.23254	1.8
352.23965	74.5
365.24792	14.1
376.27673	2.5
378.25467	2.4
383.25711	2.3
391.26257	3.8
397.27206	3.9
398.28073	7.8
404.30664	6.1
412.29691	16.9
423.28955	2.0
425.30344	4.4
438.31241	13.7
439.31830	1.6
477.33972	1.6
487.53995	1.7
489.33670	7.3
491.35287	12.7
492.35541	5.2
504.35995	100.0
569.39691	2.8
584.42102	23.5
584.56165	3.5
605.04303	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
54.86491	1.4
55.04045	1.9
55.05516	10.8
57.07074	7.6
65.03943	3.7
67.05186	2.1
67.05509	23.3
69.03429	2.2
69.07059	12.6
70.10243	6.8
79.05500	29.5
81.03418	2.3
81.07061	33.2
83.04975	2.6
83.08619	7.3
85.06542	3.8
89.42508	1.7
91.05483	53.8
92.06262	1.8
93.07043	54.1
95.04966	38.3
95.08607	29.6
97.06538	3.0
98.21475	2.0
103.05458	4.2
105.04543	1.8
105.07033	78.7
106.07849	2.8
107.04986	2.8
107.08594	42.5
109.06512	6.5
109.10154	21.9
111.08067	2.5
115.05476	5.6
116.06259	3.5
117.07027	34.6
118.07807	3.0
119.08582	100.0
120.09375	4.6
121.06508	5.1
121.09333	2.8
121.10141	33.6
123.08072	20.8
123.11695	6.8
125.09655	2.4
128.06233	18.3
129.07014	22.2
130.07777	8.3
131.08572	61.6
132.09366	6.3
133.06453	3.3
133.10141	42.4
134.10947	4.0
135.08047	13.8
135.11691	17.6
137.09634	5.4
138.10397	12.2
139.11176	2.1
141.07014	11.3
142.07785	18.7
143.08565	53.0
144.09338	11.4
145.10126	69.6
146.10762	3.0
147.08061	6.4
147.11681	23.8
148.08778	1.6
149.09650	5.6
149.13225	2.8
151.11224	4.0
153.06995	4.2
154.07802	5.4
155.08557	23.6
156.09320	17.7
157.10132	47.9
158.10884	7.3
159.08084	5.3
159.11681	31.6
160.12474	2.6
161.09618	8.7
161.13277	11.4
163.11180	3.0
165.07027	7.4
166.07788	5.4
167.08578	11.4
168.09349	9.9
169.10139	25.4
170.10930	8.8
171.11693	28.8
172.12469	3.5
173.09656	2.8
173.13248	23.2
173.74121	1.7
174.10365	1.9
175.11185	5.9
175.14833	17.6
176.15633	1.8
177.12744	3.7
178.07764	2.0
179.08592	13.7
180.09355	7.6
181.10100	18.8
182.10922	8.1
183.11693	31.8
184.12518	5.0
185.09651	3.4
185.13268	19.9
186.13943	1.9
187.11179	6.2
187.14815	13.1
189.12794	3.6
191.08531	2.3
191.14244	3.0
192.09364	5.6
192.15121	2.0
192.32532	1.6
193.10152	15.3
194.10899	10.9
195.11688	21.2
196.12456	7.8
197.13264	23.1
199.11234	2.9
199.14879	9.0
200.15553	3.2
201.12747	3.4
201.16370	7.3
203.08653	2.2
203.14333	4.7
204.09360	1.5
205.10123	4.4
205.15906	3.0
206.10962	4.9
207.11674	12.6
207.13783	5.7
208.12439	6.2
209.13263	25.2
210.14105	5.2
211.11285	2.8
211.14838	14.1
212.12054	1.6
212.15491	3.1
213.12700	2.1
213.16399	3.4
214.13425	1.9
215.14238	2.0
217.10199	2.4
217.15808	2.2
219.11705	5.4
219.17480	2.9
220.12436	3.6
220.47435	1.7
221.13237	12.3
222.14006	2.8
223.14818	12.2
224.15480	2.5
225.12657	4.3
225.16364	6.2
227.14308	4.7
227.17815	2.2
229.16011	1.7
230.10931	2.0
231.11568	3.9
233.13268	5.3
233.15388	2.2
235.14844	8.3
237.16397	8.6
239.17970	4.7
240.70821	1.8
241.15913	2.7
243.11653	2.0
243.17444	2.0
245.13252	4.3
246.14018	2.9
247.14819	4.3
249.16371	3.5
251.17987	4.4
253.15919	2.0
253.19478	3.1
255.17484	5.0
257.19089	2.0
258.14175	1.7
259.14841	4.1
259.20602	2.8
261.16315	3.8
263.14713	1.9
263.17950	4.7
265.19431	3.5
267.21011	2.5
269.18951	3.0
270.19699	2.8
271.20816	1.8
273.16394	3.2
275.17764	3.3
283.20612	3.6
285.22095	3.4
287.18030	2.3
289.19577	2.8
293.18817	2.3
300.29126	1.8
303.21115	3.3
321.22220	7.0
323.23849	3.4
335.23672	1.8
336.24341	4.0
339.23193	2.9
347.23245	1.6
349.25317	3.0
354.25574	18.0
367.27054	1.9
413.28079	2.0
446.31732	6.5
492.35797	8.0
584.42328	23.5
584.56006	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.9
55.05510	20.2
55.50803	2.9
57.07088	18.4
59.04975	3.5
65.03945	3.6
67.05514	30.5
68.05853	3.3
69.03442	3.9
69.07079	20.6
70.06583	2.7
70.22268	8.9
70.22652	4.8
70.57262	2.8
71.08627	6.9
77.03928	3.6
79.05497	36.0
81.07066	53.3
83.04968	4.1
83.08630	15.1
85.06564	4.2
85.10200	6.2
87.04461	2.5
89.06042	8.9
91.05490	55.8
93.07054	58.0
93.50713	2.5
94.07368	3.5
95.04985	25.4
95.08614	41.5
97.06528	6.9
99.04444	3.2
103.05496	4.8
105.04502	5.1
105.07043	91.7
106.07340	5.8
107.08606	45.5
108.08927	5.2
109.06502	9.6
109.10181	24.5
111.08080	4.5
115.05460	7.4
117.07037	22.3
119.08595	100.0
120.08900	6.3
121.06506	5.9
121.10155	45.8
123.08104	21.2
123.11712	8.1
125.09699	2.9
128.06219	13.4
129.07024	21.9
130.07779	8.3
131.08594	56.7
132.09361	5.1
132.10231	2.9
133.06462	5.9
133.08582	5.9
133.10138	45.6
134.10493	4.2
135.08083	10.0
135.11703	18.4
137.09621	8.5
138.10411	4.4
139.11174	3.8
141.07001	8.7
142.07831	24.1
143.08583	42.7
144.09267	8.6
145.06479	3.3
145.10133	69.8
146.10516	4.5
147.08046	12.0
147.11658	21.0
149.09616	8.0
149.13278	6.2
151.07549	5.6
151.11229	7.6
153.07045	5.9
154.07773	4.4
155.08577	24.8
156.09392	17.3
157.10147	54.5
158.10715	9.8
159.08115	5.1
159.11691	40.5
161.09610	8.4
161.13295	7.5
163.11278	4.5
164.16304	3.0
165.06998	9.5
165.09129	7.6
166.07861	3.5
166.09488	4.9
167.08577	12.6
167.10712	11.0
168.09256	8.3
169.10132	32.4
170.10838	11.4
171.11713	30.2
172.12146	4.2
173.13293	23.1
174.13737	3.1
175.11211	3.7
175.14862	13.8
177.11348	3.6
179.08554	10.8
180.09309	6.3
181.10115	20.2
181.11725	3.3
182.10925	11.0
183.11722	31.6
184.12271	8.2
185.13260	19.7
186.13623	4.7
187.14873	11.9
189.12788	5.6
191.08641	4.9
191.14362	5.9
192.09308	6.7
193.10159	15.1
194.10835	9.3
195.11732	20.2
196.12369	7.1
197.13286	24.7
198.13934	3.7
199.11148	3.6
199.14850	11.1
200.15343	4.7
201.12711	5.2
201.16408	5.8
203.14293	7.3
204.14751	4.3
205.10130	3.6
205.15938	2.8
206.10921	9.5
207.11703	15.9
207.13617	3.7
208.12270	5.0
209.13261	25.0
210.13582	3.9
211.14819	11.9
213.12889	4.6
215.14343	3.1
217.10181	4.1
217.15976	3.6
219.11644	4.8
220.12524	5.9
221.13258	13.5
221.15402	18.3
222.13654	4.7
222.15694	8.8
223.14774	13.1
225.16541	5.2
232.12463	3.5
233.13242	7.5
234.14021	3.6
235.14774	11.1
236.15381	5.7
237.16400	8.2
241.15898	3.6
245.13173	8.2
247.14757	6.5
249.16379	7.3
251.17918	4.4
255.17436	3.6
257.18796	3.8
259.14877	4.3
263.17969	6.1
265.19800	2.7
271.15204	4.3
275.18011	7.9
283.20764	4.3
311.29398	9.2
321.22134	4.5
376.27747	3.2
446.32504	3.2
492.35651	8.9
566.40546	17.0
584.41992	66.8
584.55927	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.1
55.01873	4.7
55.05516	25.3
57.07068	8.5
59.05040	3.0
62.03786	2.8
65.03952	3.3
67.05507	31.8
69.03422	8.8
69.07076	15.4
70.68964	9.2
71.04980	7.6
79.05502	35.5
81.07058	46.7
83.04975	12.4
83.08633	26.3
83.85707	3.2
85.02927	4.5
85.06538	5.4
91.05479	48.7
93.07048	57.2
95.04973	15.0
95.08617	37.3
97.06516	18.7
97.10178	3.4
99.04453	5.9
105.04517	4.5
105.07038	70.7
107.05056	4.0
107.08608	60.4
109.06525	11.3
109.10148	33.0
111.08097	7.6
113.09655	8.6
115.05468	7.0
117.07034	16.8
119.08590	83.7
121.06495	5.1
121.10152	54.4
123.08085	18.6
123.11706	6.9
125.09642	10.5
128.06248	10.2
129.07025	19.4
130.07784	4.4
131.08585	35.7
133.10147	54.3
135.08026	6.6
135.11745	17.8
137.09647	5.0
139.11182	9.4
141.06984	8.6
142.07813	23.5
143.08575	40.3
144.09399	5.5
145.10143	63.6
147.08063	9.3
147.11708	19.6
149.09659	6.9
149.13179	3.3
151.07552	4.5
151.23882	2.9
153.06958	4.9
155.08592	21.5
155.10674	12.0
156.09322	16.9
157.10138	54.8
158.10907	7.3
159.08032	3.5
159.11716	35.7
161.09673	5.4
161.13278	8.8
163.11246	5.3
165.07016	10.6
165.09116	8.9
167.08565	9.8
167.10689	17.4
168.09373	7.2
169.10107	31.0
170.10889	9.7
171.11702	32.1
173.09564	2.8
173.13292	17.0
175.11145	3.2
175.14836	7.5
177.12708	4.2
179.08536	15.8
179.14294	6.9
180.09294	6.2
181.10143	20.1
181.12117	15.2
182.10898	13.0
183.11693	21.5
183.13560	4.0
185.09644	3.9
185.13283	24.3
187.14792	6.9
189.12737	4.9
191.14291	12.2
192.09328	4.8
193.10155	13.2
194.10916	13.0
195.11720	29.3
196.12459	7.8
197.13268	32.9
198.13995	3.5
199.14900	17.4
201.16399	6.7
203.14310	5.6
205.10100	5.4
206.10895	6.5
207.11707	19.1
207.13782	7.8
208.12456	8.4
209.13315	33.2
209.15231	5.4
210.14134	4.9
211.14796	15.0
213.16380	6.3
217.10237	5.0
217.15900	7.2
219.11685	9.7
220.12526	6.0
221.13255	21.6
221.15385	31.5
222.13989	6.3
223.14822	20.1
225.12984	4.4
225.14647	18.2
225.16757	4.3
231.11737	7.3
232.12524	6.1
233.13242	14.1
233.15433	16.0
235.14781	12.5
237.16408	10.7
239.17833	5.6
243.11562	4.1
245.13254	8.0
246.14034	6.6
247.14729	8.2
247.17004	7.2
248.15749	4.9
249.16446	12.9
250.17120	4.1
251.18062	9.2
253.19521	4.7
255.17505	3.4
257.19000	7.2
259.14798	7.5
260.15567	5.2
261.16379	11.3
263.17953	8.4
265.19519	9.4
267.17542	3.5
269.18936	4.8
275.17792	7.2
277.19568	10.9
279.21005	4.4
281.18842	5.2
283.20551	7.2
287.17966	6.0
289.19516	5.5
295.20462	7.1
297.16318	3.4
297.22165	4.2
303.20947	3.6
307.20984	5.0
315.20917	3.4
331.24258	4.3
343.24118	7.6
345.25735	3.6
349.25305	5.6
357.26273	4.7
361.25299	5.6
363.26642	7.4
365.24704	4.7
375.26923	4.3
397.28745	9.5
415.30042	6.0
491.34778	5.8
565.40436	29.9
583.41510	100.0
587.11859	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.3
55.05516	21.8
57.07064	12.8
59.04994	5.2
65.03943	3.8
67.05504	29.3
69.03434	7.5
69.07065	25.4
70.15670	11.4
79.05502	29.1
81.07056	38.1
82.15719	2.6
83.04981	8.5
83.08627	10.6
85.06551	7.5
89.06039	5.0
91.05479	58.2
93.07050	61.9
95.04972	9.6
95.08605	44.1
97.06530	6.0
98.21464	2.8
103.05499	5.7
105.04484	3.4
105.06313	5.2
105.07030	91.0
107.08598	55.5
109.06535	6.6
109.10157	26.9
115.05459	8.2
116.06227	3.5
117.07015	25.2
119.08587	93.4
121.06512	9.4
121.10150	62.5
122.33833	2.9
123.08036	14.0
123.11712	7.7
125.06022	4.9
128.06229	14.2
129.06990	18.1
130.07809	9.9
131.08565	48.3
133.10139	52.3
134.73979	2.6
135.08093	10.8
135.11668	21.1
137.09653	12.3
141.06990	8.5
142.07796	33.1
143.08565	51.7
144.09341	13.4
145.10120	59.1
145.11185	5.0
147.08015	15.7
147.11705	18.2
149.09622	9.4
149.13240	5.1
151.07555	12.2
152.64203	3.0
153.07036	8.6
154.07787	5.1
155.08588	25.3
156.09349	22.7
157.10127	69.5
158.10922	10.1
159.08072	3.7
159.11679	32.1
160.12415	3.1
161.09644	7.9
161.13271	7.9
163.11232	9.5
165.06989	6.6
165.09091	25.2
167.08566	15.9
167.10674	26.0
168.09355	11.7
169.10136	32.2
170.10944	10.2
171.11691	40.0
173.13228	31.5
175.11153	6.5
175.14876	12.0
178.07784	4.6
179.08607	17.1
180.09296	6.6
181.10162	20.7
181.12231	11.5
182.10927	11.4
183.07996	4.2
183.11693	38.8
184.12482	6.2
185.09634	3.2
185.13260	19.9
187.11235	5.2
187.14853	7.0
189.12819	5.6
191.14346	12.8
192.09398	7.2
193.10143	14.5
194.10922	16.5
195.11702	28.3
196.12488	7.5
197.13260	25.9
197.14476	2.5
199.14874	18.6
201.12860	3.5
201.16367	4.4
203.08640	5.5
203.14374	13.2
205.10254	6.7
205.16016	4.4
206.10942	8.0
207.11748	24.9
207.13843	8.6
208.12540	11.4
209.13257	30.9
210.13870	3.2
211.11240	3.4
211.14859	9.1
213.12796	4.4
213.16583	3.4
215.14388	6.0
217.10194	6.8
217.15877	16.0
218.11034	4.2
219.11787	11.8
219.17587	2.8
220.12495	6.7
221.13275	23.2
221.15428	52.1
221.17383	4.8
222.14075	4.4
223.14888	19.5
225.16415	8.7
227.14265	4.1
231.11752	10.2
231.17288	3.3
232.12495	6.4
233.13298	15.0
233.15501	7.1
234.14087	5.7
235.14787	15.5
237.16536	9.0
239.18056	6.7
243.11780	5.2
245.13306	10.1
246.14018	6.6
247.14870	11.1
248.15646	3.9
249.16418	12.4
251.17992	10.5
255.17445	3.1
257.13226	3.7
257.19034	9.4
259.14792	9.3
260.15524	6.7
261.13403	2.6
261.16144	13.8
263.18008	10.3
265.19553	10.4
269.18884	4.4
271.14807	5.4
273.16391	4.8
275.14517	2.9
275.17966	13.6
277.19547	3.9
283.20633	17.7
287.17609	4.6
287.20413	4.2
289.19519	5.8
331.24323	7.9
333.22296	3.6
349.25159	7.6
361.25531	3.8
373.25250	4.8
375.26794	6.6
379.26450	3.5
491.35327	5.7
503.35452	5.1
565.40717	17.8
583.41467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96936	3.0
53.03934	6.6
53.60945	3.1
55.05517	17.4
57.07063	15.5
59.04988	4.3
67.05508	29.7
68.67593	3.4
69.03420	5.3
69.07069	26.4
69.54641	20.1
70.43905	3.5
79.05500	33.4
81.07049	29.5
83.04960	8.5
83.08608	6.2
85.06548	10.2
91.05488	59.4
93.07050	65.0
95.04969	12.5
95.08616	36.0
97.06541	7.8
103.05436	3.5
105.07039	98.0
107.08610	46.8
109.06506	13.7
109.10173	23.7
111.11734	3.8
111.12544	3.5
115.05453	5.9
117.07028	20.9
119.08593	90.0
121.06452	6.9
121.10152	51.8
123.08060	14.8
123.11687	9.1
125.06008	4.8
128.06198	11.9
129.07048	25.4
130.07761	9.4
131.08580	42.9
133.10139	54.1
135.08035	15.0
135.11694	16.6
137.09616	12.4
141.07008	8.1
142.07777	29.3
143.08575	50.7
144.09355	6.3
145.10135	56.7
147.08063	21.9
147.11700	15.9
149.09576	7.2
149.13200	4.9
151.07538	17.7
153.06975	6.7
154.07767	5.2
155.08595	20.2
156.09384	25.8
157.10146	67.9
158.10983	8.6
159.08038	5.1
159.11711	37.0
161.09599	10.2
161.13229	6.9
163.11223	8.4
165.07005	12.0
165.09122	28.4
166.07756	5.4
167.08620	16.7
167.10696	17.7
168.09355	8.8
169.10149	36.0
170.10921	8.7
171.11707	34.3
173.13293	26.3
175.11188	5.8
175.14809	8.3
177.09145	4.4
177.12607	3.8
179.08572	18.9
180.09329	8.1
181.10118	20.1
181.12230	5.5
182.10896	6.7
183.11716	32.6
184.12425	6.1
185.13251	15.8
187.14835	8.6
189.12827	4.1
191.14317	10.7
192.09367	6.9
193.10097	12.0
194.10890	14.1
195.11642	24.2
196.12442	10.1
197.13362	21.1
197.31415	3.2
199.14810	22.0
201.16402	3.8
203.14336	13.3
205.10100	5.6
206.10869	11.4
207.11678	25.5
207.13640	5.5
208.12463	10.6
209.13292	34.5
210.14063	5.1
211.14847	15.9
213.12810	4.1
213.16437	6.9
215.14372	4.0
217.10098	4.2
217.15997	9.7
218.10768	5.5
219.11731	9.0
220.12465	8.7
221.13243	15.6
221.15367	71.0
222.14157	4.8
223.14732	16.8
225.12665	4.1
225.16460	8.1
227.14214	3.8
231.11725	7.9
232.12479	5.6
233.13191	19.8
233.15266	6.1
234.14081	6.0
235.14818	17.7
235.35945	3.5
237.12621	3.6
237.16330	9.1
239.18089	5.3
245.13237	8.8
247.14781	13.9
249.16432	11.4
257.18912	6.6
258.14114	5.6
259.14767	8.7
260.15524	8.5
261.16446	12.4
262.17252	3.5
263.17880	8.2
265.19437	8.5
269.18884	8.1
271.14731	6.1
273.16208	5.3
275.17862	11.9
277.19598	4.5
283.20590	13.7
287.20218	6.5
293.19031	3.9
295.20572	6.5
303.21359	4.2
315.21149	3.8
331.24179	7.9
335.23608	4.1
347.23611	4.2
349.25162	7.6
375.26935	8.2
403.29788	3.8
491.34766	7.4
502.23694	4.1
503.34793	5.3
547.39398	6.2
565.40546	27.4
583.32605	6.1
583.41510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.3
55.05516	13.7
57.07080	9.0
59.05002	4.2
60.91228	1.2
65.03947	2.8
67.05510	23.6
69.03442	8.4
69.07073	15.3
69.46195	1.3
77.03924	1.8
79.05498	22.4
81.03425	2.1
81.07067	27.9
83.04987	6.5
83.08617	7.8
85.06532	6.0
91.05487	35.8
93.07056	45.0
95.04984	8.4
95.08613	33.7
97.06554	3.8
98.21637	2.5
103.05466	3.9
105.04527	1.7
105.07038	58.7
107.04945	1.6
107.08604	41.1
109.06517	7.5
109.10172	17.2
111.08108	2.7
115.05445	2.5
117.07029	12.7
117.90240	1.3
119.08587	56.6
121.06501	4.6
121.10152	37.6
123.08083	19.9
123.11737	4.6
125.06010	1.7
125.09669	2.6
127.91862	1.5
128.06223	10.3
129.07019	13.9
130.07813	5.1
131.08575	29.0
133.06458	3.5
133.10144	32.0
135.08064	11.5
135.11690	11.9
137.09642	12.8
139.11166	1.5
141.07022	7.6
142.07791	18.9
143.08574	36.8
144.09340	5.6
145.06544	1.4
145.10138	41.2
147.08054	21.6
147.11703	13.6
149.09642	4.5
149.13287	3.0
151.07535	20.0
153.07022	3.9
154.07796	3.0
155.08582	12.5
156.09355	16.0
157.10146	44.0
158.10916	5.4
159.08083	3.8
159.11713	24.3
161.09608	5.0
161.13289	7.9
163.11211	9.0
165.07053	6.2
165.09119	36.3
166.07739	2.8
167.08589	7.6
167.10667	7.9
168.09393	5.6
169.10127	25.2
170.10950	10.9
171.11710	27.4
173.09644	3.8
173.13257	20.4
174.10388	1.6
175.11179	3.3
175.14862	8.0
177.09106	2.0
178.07785	2.6
179.08543	10.9
180.09384	5.5
181.10146	14.5
181.12285	5.4
182.10951	8.4
183.11708	23.6
184.12437	4.4
185.09700	2.3
185.13266	17.9
187.11140	2.4
187.14861	5.7
189.12730	7.7
191.14337	5.6
192.09369	5.0
193.10167	13.5
194.10909	9.6
195.11707	20.9
196.12483	4.2
197.13268	22.8
199.11163	3.1
199.14893	12.5
201.12782	3.1
201.16376	1.6
203.14337	18.1
205.10188	2.5
206.10934	5.4
207.11720	14.4
207.13876	6.6
208.12503	4.7
209.13313	22.2
209.15231	1.7
210.14069	2.9
211.11340	1.5
211.14806	10.1
213.12872	1.7
213.16342	3.5
215.14255	1.9
217.10126	3.0
217.15964	5.0
218.10927	2.8
219.11783	7.0
219.17363	1.5
220.12488	5.0
221.13286	14.4
221.15340	70.8
222.14040	3.4
222.16002	1.4
223.14825	9.0
224.15645	1.9
225.12917	2.2
225.16386	4.5
227.14426	1.8
227.17934	2.2
229.10228	2.4
229.16023	2.3
231.11702	5.1
231.13773	1.8
231.17426	3.5
232.12508	2.5
233.13274	8.7
233.15486	4.2
234.14040	4.4
235.14819	10.6
236.15562	2.7
237.16403	7.5
239.18027	3.2
241.15910	2.8
243.11809	2.1
244.12405	1.6
245.13307	4.7
246.14102	5.5
247.14801	5.5
247.17030	3.2
248.15735	2.6
249.16394	9.6
250.17143	2.4
251.14330	1.8
251.17967	4.2
253.15932	1.8
253.19560	3.2
255.17488	1.9
257.19125	4.5
259.14908	4.0
260.15677	2.7
261.16376	7.9
262.17209	1.6
263.18002	5.0
265.19537	4.9
267.17517	2.2
269.19122	4.1
271.20715	3.6
273.16318	3.9
274.16995	1.7
275.17798	7.0
277.19568	4.2
279.17599	1.4
279.21033	2.7
281.18924	2.3
283.20581	11.3
285.16287	1.8
286.16882	1.7
287.17648	2.3
287.20386	2.4
289.19498	4.5
291.21286	1.6
293.19095	1.5
295.20706	4.3
297.22214	4.7
299.20392	2.2
303.21121	2.1
312.20850	2.5
315.21255	2.7
317.22629	1.7
319.20612	2.6
329.22488	1.5
331.24219	4.8
333.22296	2.1
335.23578	2.8
348.24594	1.4
349.25421	4.7
352.23965	1.9
357.25824	2.9
375.26855	8.9
385.29416	1.6
403.29987	9.6
491.34979	5.6
503.35153	6.0
509.34152	2.7
547.39478	3.1
565.40405	34.1
583.41467	100.0
584.42004	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.05509	17.8
57.07077	12.7
59.04994	4.0
65.03939	3.6
67.05507	30.3
69.03425	7.0
69.07067	25.5
71.51846	2.3
79.05495	33.8
81.07056	43.6
83.04975	7.1
83.08183	3.4
83.08614	19.1
85.06536	10.2
87.04446	3.2
91.05485	59.5
93.07047	78.8
94.04128	2.6
95.04975	13.6
95.08609	42.3
97.06528	13.0
99.46876	2.9
103.05463	7.7
105.04489	3.1
105.07030	94.7
107.04961	6.0
107.08596	64.4
107.16181	2.5
109.06535	13.3
109.10157	30.0
110.25159	2.8
111.08084	5.4
111.11721	3.3
115.05476	7.0
117.06993	17.0
119.04954	3.0
119.08580	100.0
120.17828	2.3
121.06506	7.1
121.10141	77.9
123.08083	14.4
123.11713	11.6
125.06035	3.5
125.09638	5.3
128.06227	16.6
129.07024	20.2
130.07802	10.1
131.08572	45.8
133.06493	5.5
133.10138	54.2
135.08060	8.4
135.11696	19.1
137.09622	9.8
139.11203	4.9
141.06947	12.6
142.07780	30.2
143.08560	44.8
144.09331	9.4
145.10112	64.8
147.08043	11.6
147.11700	21.8
149.09608	14.8
149.13277	4.7
151.07561	8.7
153.06996	5.8
153.09105	3.1
155.08589	19.6
156.09346	21.5
157.10124	69.4
158.10951	5.4
159.08051	6.4
159.11694	35.9
161.09610	7.8
161.13254	8.9
163.11218	8.9
165.07007	8.6
165.09116	13.5
166.07703	3.9
167.08540	9.9
167.10675	57.9
168.09322	9.8
169.10115	36.3
170.10902	11.7
171.11688	35.1
173.09607	4.9
173.13258	28.1
175.11206	7.9
175.14832	13.9
179.08545	15.9
180.09328	11.2
181.10101	19.8
181.12236	4.1
182.10866	10.7
183.11679	28.1
184.12477	7.4
185.13283	18.0
187.11137	5.4
187.14813	6.2
189.12755	7.6
189.16429	4.1
191.08539	4.1
191.14398	12.3
192.09348	8.4
193.08496	4.8
193.10074	20.0
194.10898	13.5
195.11679	23.4
196.12489	4.2
197.13297	24.4
199.11311	4.1
199.14790	19.8
201.16397	4.4
203.14337	5.3
205.00708	3.1
205.10243	6.4
206.10919	12.6
207.11728	20.0
207.13675	4.8
208.12520	9.6
209.13243	28.3
210.13989	4.9
211.11195	4.1
211.14771	13.9
213.12785	5.2
213.16425	5.8
215.14389	6.4
217.15843	18.1
218.10898	4.4
219.11728	9.1
220.12489	8.1
221.13258	17.7
221.15425	28.0
222.14088	5.1
223.14919	15.7
225.12746	4.8
225.16470	8.0
227.14348	3.3
231.11684	9.3
232.12395	6.0
233.13280	8.3
233.15422	19.6
234.13997	4.3
235.14801	13.1
237.16371	11.8
239.18042	4.6
243.11775	4.2
244.12610	2.6
245.13248	10.4
246.13976	5.7
247.14816	10.8
248.15573	4.3
249.16467	7.8
250.17128	3.2
251.18076	3.7
255.17285	3.2
257.13232	3.9
257.19012	5.6
259.14734	5.2
261.16403	8.0
263.18036	6.8
265.19537	9.8
269.18973	3.4
273.16248	4.6
273.18835	3.3
275.17960	9.7
277.19629	6.0
281.18976	6.8
283.20724	12.2
289.19629	5.3
303.21133	3.1
315.21155	3.5
331.24210	5.7
349.25320	6.3
361.25223	4.6
375.26901	5.4
491.34848	4.8
503.34866	3.2
565.40637	21.8
583.41388	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.05516	14.8
57.07069	9.5
57.36201	2.5
59.04989	2.7
59.74124	2.5
62.07879	2.3
65.03968	2.9
67.05509	16.1
68.12782	2.5
69.03426	6.1
69.07071	17.1
71.00204	5.6
79.05495	28.7
81.07063	31.2
83.04975	6.7
83.08624	7.5
85.06560	7.0
91.05479	37.9
93.07048	56.4
95.04961	10.0
95.08618	30.5
97.06535	7.8
105.07034	63.6
107.07907	3.3
107.08607	40.3
109.06536	7.4
109.10171	23.2
111.08100	3.2
111.11790	3.4
115.05473	3.7
116.91437	2.6
117.07038	14.2
119.08591	61.3
121.06470	5.1
121.10162	50.9
123.08104	15.8
123.11739	5.3
128.06248	11.3
129.07007	12.1
130.07797	4.1
131.08578	26.4
133.06520	4.1
133.10147	30.6
135.08086	9.9
135.11700	11.6
137.09633	10.4
139.11246	5.0
141.07042	7.6
142.07799	17.7
143.08559	35.2
144.09354	5.4
145.10143	41.7
147.08089	9.6
147.11725	15.0
149.09636	9.8
149.13245	3.5
151.07594	11.0
155.08540	13.5
156.09341	12.9
157.10144	43.2
158.10934	5.7
159.08101	4.1
159.11711	22.2
160.03763	2.6
161.09596	5.2
161.13287	7.0
163.11195	4.2
165.06958	6.8
165.09120	18.5
167.08565	11.5
167.10690	61.0
168.09357	5.7
169.10121	23.7
170.10959	10.3
171.11722	27.2
173.09648	4.7
173.13264	20.7
175.11345	2.8
175.14857	6.1
179.08583	7.9
180.09346	3.3
181.10161	15.4
181.12218	5.4
182.10944	6.3
183.11708	22.5
184.12364	3.3
185.13223	15.0
187.14897	5.6
189.12730	5.7
191.14362	6.0
192.09364	5.4
193.10211	10.8
194.10959	9.9
195.11720	19.2
196.12421	7.2
197.13219	16.8
199.14772	12.8
201.16393	3.8
203.14372	9.3
206.10980	8.1
207.11737	12.0
207.13771	5.5
208.12518	4.1
209.13271	21.2
209.15024	3.8
211.14772	12.6
213.16422	3.1
217.10178	3.2
217.15979	7.4
219.11758	6.1
220.12593	6.9
221.13316	10.3
221.15427	34.6
223.14818	12.5
225.16377	3.4
230.10895	3.9
231.11703	4.3
232.12541	4.3
233.13211	9.0
233.15463	8.0
234.13895	3.8
235.14885	8.2
237.16425	7.1
244.12666	4.0
245.13290	5.4
246.14122	5.1
247.14922	6.9
248.15794	4.4
249.16460	8.7
251.17999	4.7
253.19589	3.2
257.18991	4.4
259.14972	7.4
260.15674	3.0
261.16412	6.8
263.18063	5.0
265.19595	7.1
269.19040	5.7
273.16299	3.4
275.18079	8.7
277.19611	3.7
283.20618	10.1
289.19684	2.8
295.20532	5.4
331.24313	3.8
357.25439	2.7
361.25436	4.4
372.43079	2.8
375.27048	4.5
389.33362	2.8
403.30197	6.7
423.06235	3.8
547.39404	6.9
548.90753	2.5
565.40295	27.1
583.41510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.2
55.01879	3.5
55.05512	16.9
57.07067	3.7
59.05008	3.0
65.03929	3.9
66.92689	2.7
67.05520	32.4
69.03418	4.9
69.07066	24.4
71.04984	3.1
72.57504	2.6
73.23895	3.1
78.93813	2.6
79.05504	32.3
81.03423	4.5
81.07064	44.9
83.04990	4.7
83.08627	13.2
85.06541	3.6
91.05479	47.6
93.06493	5.4
93.07051	82.8
95.04977	10.0
95.08615	45.5
97.06525	10.3
103.05488	5.4
105.07041	76.0
107.04951	6.5
107.08596	48.5
109.06514	10.1
109.10170	30.2
111.11713	3.7
115.05466	5.2
116.35593	3.2
117.07040	16.3
119.04962	7.1
119.08593	72.0
121.10155	78.5
123.08065	8.1
123.11714	4.2
125.09621	6.8
128.06206	12.5
129.07027	22.1
130.07741	4.1
131.08569	33.3
133.10115	35.6
135.08032	4.4
135.11699	23.0
137.09630	6.0
139.11197	7.7
141.06989	7.8
142.07809	18.3
143.08582	40.8
144.09213	5.1
145.10127	61.4
147.08052	3.4
147.11734	16.4
149.09654	17.6
149.13280	4.6
151.07478	3.8
153.06999	6.8
155.08578	16.6
155.10596	4.0
156.09312	11.9
157.10147	52.1
158.10867	7.9
159.08040	9.0
159.11711	29.9
161.09683	5.9
161.13254	8.1
163.11162	6.8
165.07025	7.8
165.09085	5.2
166.07793	3.6
167.08536	7.3
167.10687	100.0
168.09291	7.1
169.10139	26.7
170.10884	5.4
171.11667	21.6
173.09584	4.8
173.13275	19.7
174.13857	3.5
175.11160	4.6
175.14809	17.2
177.12740	3.2
179.08534	7.6
180.09372	4.6
181.10202	14.9
181.12419	4.4
182.10884	6.2
183.11700	22.5
184.12657	4.1
185.09604	5.8
185.13341	15.6
187.11208	4.7
187.14816	7.8
189.12733	5.1
191.14355	8.0
192.09370	4.4
193.10181	12.8
194.10858	8.7
195.11769	21.8
196.12260	4.5
197.13251	20.6
199.11285	4.3
199.14857	11.5
201.16394	7.8
203.14375	6.9
206.10846	2.9
207.11653	11.0
207.13518	3.6
208.12471	5.7
209.13271	21.5
211.14825	9.8
215.14337	3.7
217.15958	4.2
219.11618	3.8
219.17488	4.5
220.12439	6.1
221.13263	10.7
221.15384	14.8
223.14792	10.3
225.12604	5.2
225.16417	6.3
231.11668	6.9
232.12413	3.4
233.13272	9.7
233.15431	15.4
234.14021	3.9
235.14780	10.2
237.12778	4.1
237.16396	5.0
239.17944	3.8
245.13269	7.1
246.14072	3.5
247.14874	4.9
247.17104	3.9
249.16391	7.6
251.18007	6.3
257.19061	5.7
258.14148	3.1
259.14813	4.3
261.16364	7.8
263.17926	7.7
265.19604	4.7
267.17758	3.6
271.14893	3.1
275.17896	4.5
281.18866	3.9
283.20438	4.4
285.18692	3.6
287.17883	4.4
289.19577	5.0
299.20120	5.6
300.34863	3.5
311.19995	15.0
315.94098	3.0
317.22693	3.8
349.25500	3.4
377.24557	5.3
491.34909	8.8
565.40527	14.3
583.32434	4.7
583.41364	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21759	1.6
52.22343	1.6
53.03942	2.0
55.05504	6.8
57.07069	7.7
67.05505	12.8
69.03428	3.2
69.07060	5.7
69.81949	5.3
79.05484	10.4
81.07062	17.9
81.88938	1.5
83.04972	2.6
83.08617	3.3
85.06564	2.9
91.05481	13.8
93.07044	26.2
95.04985	5.3
95.08615	20.3
105.07031	31.9
107.08589	18.0
109.06541	4.8
109.10165	9.8
115.05451	1.9
117.07006	5.0
119.08579	33.3
121.06508	4.2
121.10151	22.0
123.08069	15.7
123.11744	4.0
128.06244	4.9
129.07014	4.0
130.07770	3.1
131.08554	9.9
133.10135	17.1
135.08055	5.6
135.11691	5.4
137.09595	9.0
141.06964	5.0
142.07780	8.5
143.08572	15.4
144.09320	4.3
145.10139	17.7
147.08051	16.7
147.11688	7.1
149.09596	2.5
151.07532	21.1
155.01070	2.2
155.08588	4.4
156.09361	7.6
157.10129	25.2
158.10739	2.1
159.08090	2.2
159.11702	12.7
161.09631	2.8
161.13275	5.5
163.11176	3.0
165.09113	33.1
167.08607	4.0
168.09358	2.1
169.10162	7.7
170.10918	4.5
171.11708	13.4
172.12590	1.6
173.09685	2.9
173.13225	10.0
175.11244	1.7
175.14867	2.9
179.08623	4.6
180.09392	3.4
181.10139	5.7
181.12300	2.7
182.11011	2.1
183.11755	10.9
185.09729	2.1
185.13277	14.5
189.12804	4.5
193.10188	5.4
194.10934	2.7
195.11662	7.5
196.12569	2.8
197.11748	1.7
197.13277	10.4
199.14886	3.7
203.14328	13.9
206.11064	3.1
207.12036	3.0
207.13829	4.6
208.12604	4.1
209.13234	12.2
211.14861	6.8
213.16452	3.3
220.12485	3.3
221.13251	8.8
221.15341	57.9
223.14854	7.8
225.16402	2.8
231.11707	2.4
231.17418	4.1
233.13228	3.3
235.14934	7.1
236.15453	2.4
245.13240	2.6
246.14029	2.5
247.14862	3.4
248.15649	2.0
249.16367	5.0
251.18056	2.9
253.19522	2.0
257.18964	1.8
259.14816	2.2
261.16388	2.2
263.18121	3.1
265.19785	2.8
271.20700	1.9
273.16464	1.9
274.16797	1.8
275.17960	2.4
277.19418	3.0
279.21103	2.3
283.20596	4.9
286.19388	2.0
287.20151	3.0
289.19452	1.9
295.20746	4.5
297.22263	3.9
307.20480	1.8
333.22028	2.6
349.25320	2.3
352.24060	3.6
357.25784	2.4
375.26807	5.8
403.29855	8.7
491.34930	2.0
503.35175	4.6
532.85840	1.8
547.38794	2.8
565.40430	27.6
566.39893	1.8
583.41418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17835	1.5
53.03936	2.0
55.01873	2.7
64.52624	1.7
65.03928	2.0
67.05502	3.6
69.03442	1.8
71.17379	3.0
79.05491	9.1
81.03427	11.8
81.07040	2.7
85.02863	2.2
91.05471	7.0
93.07059	2.0
94.04180	4.2
95.04993	3.6
97.02924	1.6
103.05455	6.8
105.07040	9.6
106.04208	2.5
107.04966	12.2
107.08575	2.5
109.06540	1.5
109.10200	1.7
110.90253	1.7
115.05445	9.6
117.07076	7.8
119.04921	2.1
121.06497	2.9
122.03659	9.5
123.04431	5.7
124.05197	2.1
125.05981	2.3
131.04926	6.8
131.08575	2.5
133.06480	5.0
135.04417	1.5
137.05988	100.0
143.04951	3.0
144.05727	3.1
145.06476	12.1
145.50337	1.8
147.04391	4.4
147.08018	3.9
148.05225	3.2
149.06026	3.3
151.03915	28.8
151.05009	2.5
151.07506	3.9
152.04677	2.5
153.05469	3.6
155.06029	3.8
156.05664	1.6
159.08051	2.2
161.05978	14.3
163.03989	2.0
163.07492	3.7
167.07050	74.3
168.07300	1.7
173.05966	7.9
175.07558	7.0
176.04669	1.7
177.05463	4.4
179.07109	3.4
181.04993	15.6
181.08630	3.6
187.07527	5.0
189.05496	2.5
190.06316	3.0
191.07025	11.2
192.07770	1.8
193.08643	7.1
203.06987	2.3
205.08554	10.4
207.06578	6.7
207.10210	2.9
209.08064	1.9
211.07497	2.4
217.08644	7.1
219.06583	1.8
221.08023	1.6
223.09688	2.0
226.06310	3.4
233.08032	3.1
234.06937	1.9
235.07491	3.0
235.09627	13.3
241.08638	4.3
251.07069	2.4
262.06281	2.2
262.10202	2.0
268.07431	2.8
269.08127	4.6
271.05954	1.7
277.08527	2.7
283.09518	1.8
285.07474	2.6
297.07834	1.9
301.10599	5.1
307.09552	3.6
309.07462	2.4
309.11127	2.0
319.09714	2.9
327.12207	2.5
329.10236	11.4
331.11755	3.4
337.10693	2.5
349.10687	2.5
351.12216	3.4
353.09894	2.0
355.11856	5.4
357.13519	3.1
363.12137	3.4
365.13980	2.5
367.11749	4.8
369.13367	5.3
381.13284	4.8
385.12781	3.9
387.14398	14.1
397.12537	2.0
399.14215	3.6
411.14310	5.4
421.06006	1.9
429.15161	3.1
441.15381	2.9
459.16464	16.8
547.19366	5.2
553.20764	4.1
565.20795	14.8
583.22021	17.2
583.30615	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	583.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43460	0.2
51.46397	0.2
53.03928	0.2
55.01865	0.2
60.54338	0.2
65.03939	0.6
66.04718	0.4
67.05517	0.4
69.03432	0.2
70.51803	0.7
74.95559	0.2
78.04735	0.5
79.05473	1.1
81.03439	0.4
81.07047	0.5
85.02922	0.5
91.05486	1.2
93.03441	0.3
94.04200	2.3
95.04964	0.4
97.02909	0.3
97.06542	0.2
100.65618	0.2
103.05479	0.7
105.07069	0.4
107.04952	1.0
110.03654	0.5
115.05486	2.1
117.07027	2.0
119.04958	0.6
122.02758	0.4
122.03664	7.1
123.04476	1.1
124.05191	0.4
131.05017	0.5
133.06366	0.3
135.04390	0.3
137.05994	100.0
138.03107	0.3
138.06343	0.3
142.02620	0.5
143.04941	6.5
144.05698	0.3
145.06485	2.0
147.04439	0.8
147.08061	0.4
151.03944	4.8
151.05067	0.5
151.07619	0.2
153.05452	0.6
155.06049	0.8
160.05203	0.3
161.06020	0.6
167.07059	15.1
171.04381	0.4
173.06015	3.3
175.07553	1.6
178.71089	0.2
181.04973	11.3
189.05521	0.2
203.07047	1.6
205.08606	2.7
221.08034	0.4
233.08075	1.0
235.09688	1.7
238.05998	0.2
267.22375	0.2
287.05542	0.4
327.12286	0.6
339.12012	0.2
355.11780	2.0
357.13376	11.1
369.13272	0.2
387.14429	47.8
388.14755	0.7
553.21051	0.3
583.21643	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	583.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01878	2.4
56.21028	1.7
63.71500	1.9
65.03938	3.3
68.28472	1.9
70.69086	4.8
70.69435	2.0
73.84377	1.8
78.04700	3.3
79.05487	7.0
81.03413	7.3
90.61680	2.1
91.05478	6.3
94.04204	3.6
94.52823	1.9
103.05456	3.1
105.07015	10.2
106.04167	2.2
107.04979	11.0
115.05452	10.4
117.07010	8.4
119.04940	2.2
122.03671	9.8
123.04395	4.8
129.07021	2.7
129.19920	1.9
131.04926	4.8
133.06534	10.1
137.05988	100.0
144.05710	2.9
145.06485	19.6
147.04417	8.2
147.08124	3.0
149.05933	2.3
151.03938	14.6
151.04979	3.8
151.07527	3.0
152.04565	2.8
155.06052	5.5
161.05997	12.5
167.07051	88.7
167.58261	2.1
173.05930	14.6
175.07544	7.7
177.05481	4.9
179.07018	3.5
181.05043	16.0
181.06436	3.0
181.08522	2.2
187.07500	5.4
189.05525	3.6
190.06256	4.9
191.07025	4.7
193.08583	5.5
195.06474	2.7
198.06712	2.5
202.94113	2.2
205.08621	18.3
207.06483	9.6
207.10211	4.7
211.07587	2.9
217.08586	7.7
219.10175	2.9
221.08028	4.4
223.07626	2.2
226.06226	3.6
229.08620	2.8
233.08124	5.9
235.09659	15.3
236.04533	2.3
241.08627	7.7
247.07565	2.6
254.05783	3.7
255.06590	2.6
257.08047	4.0
268.07242	2.9
269.08081	6.1
271.06046	2.3
276.07803	3.1
286.08353	2.0
289.10889	2.7
293.08060	2.7
295.09476	3.0
297.07684	2.8
299.05331	2.0
301.10745	6.4
307.09756	3.3
314.07819	4.0
321.11319	2.6
325.10489	2.3
329.10287	17.7
331.11899	4.4
335.09155	2.7
339.12268	2.5
349.10699	3.2
351.12329	5.2
353.10236	2.6
355.11771	3.2
357.13321	2.5
367.11835	3.6
369.12946	3.4
371.14243	2.7
381.13217	7.0
383.15060	4.9
384.12598	2.3
385.12607	3.1
387.14172	2.5
397.12619	3.6
399.14136	3.8
411.14267	5.6
429.15417	2.5
441.15179	6.0
459.16528	24.4
491.45966	2.4
535.19580	3.7
547.19275	6.1
553.20850	9.9
565.20850	20.7
583.21747	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	583.2176
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
53.03944	2.6
57.06743	1.3
65.03934	2.6
66.04739	1.3
67.05495	2.0
68.49624	1.6
69.03413	1.5
69.62350	7.1
69.62769	2.7
73.76386	1.5
78.04705	1.9
79.05488	8.4
81.03427	10.4
81.07053	1.9
91.05485	6.5
94.04185	3.6
95.04954	3.7
98.20730	2.2
102.15844	1.7
103.05486	3.8
105.07040	7.8
106.04134	2.3
107.04963	11.5
109.06550	2.1
115.05466	11.3
117.07024	10.3
119.04990	2.2
119.08572	1.8
121.80296	1.4
122.03656	9.2
123.04419	6.3
124.05206	2.9
128.06285	1.8
129.07001	2.2
130.04146	2.3
130.74309	1.5
131.04942	4.2
131.08528	1.8
133.06517	5.9
134.03569	1.6
137.05984	100.0
142.18306	1.6
143.04926	2.4
144.05664	2.2
145.06493	13.5
147.04382	2.8
147.08057	3.2
149.05940	3.0
151.03920	12.2
151.07553	2.4
152.04678	2.4
153.05464	2.2
155.06026	3.2
156.05725	2.9
157.06503	1.7
159.08032	3.6
160.05182	2.0
161.05962	13.5
165.06966	1.8
167.07047	74.6
169.06410	1.7
172.05025	1.5
173.05933	10.2
175.07526	7.5
177.05493	3.7
179.06938	7.4
181.04974	11.0
181.06425	2.3
181.08580	2.7
182.07195	2.0
187.07579	4.2
190.06242	3.7
191.07042	4.3
193.08658	6.8
195.06529	2.5
197.06090	1.8
198.06725	2.3
203.07011	3.5
204.29271	1.7
205.08586	13.4
207.06606	10.1
207.10088	3.4
211.07599	3.3
211.92378	1.6
213.05475	1.9
217.08606	7.8
219.10205	5.2
221.08043	3.0
223.07581	1.8
226.06242	2.5
233.08087	4.4
235.07491	2.7
235.09586	14.3
235.14885	1.5
237.11240	2.0
239.06975	1.9
241.08681	6.0
247.07449	2.4
247.09785	2.8
254.36542	1.5
255.06442	2.4
257.07883	2.5
261.09171	3.2
262.06198	2.0
263.07086	3.6
267.10040	1.6
268.07425	2.5
269.08118	5.7
271.06018	3.0
276.07837	1.6
277.08496	2.8
281.07922	1.8
283.09604	1.7
289.10745	2.3
290.09464	1.7
293.08185	1.9
295.09628	2.7
297.07681	2.1
301.10800	7.5
306.09131	1.7
307.09726	4.4
309.07751	1.9
309.11292	2.1
312.09836	1.8
313.10791	3.3
314.07721	4.3
315.12292	1.9
319.09491	1.9
321.11063	3.1
322.08234	1.9
325.10712	2.0
327.12213	1.8
329.10214	16.2
331.11710	2.8
337.10791	4.2
349.10666	2.0
351.12244	4.4
355.11838	3.1
357.13260	2.8
363.12241	2.2
367.12097	1.8
369.13531	2.8
379.11578	2.6
381.13370	7.3
383.15085	2.8
385.12692	2.7
387.14447	2.8
393.13461	1.9
395.14954	2.1
397.12933	2.3
399.14404	5.4
411.14426	7.2
423.14410	1.9
429.15265	2.2
441.15353	2.5
459.16541	21.2
535.19604	2.1
547.19489	6.4
553.20575	8.5
565.20734	20.8
583.21918	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71675	4.0
52.30204	4.1
53.03933	4.2
55.05500	18.8
57.03436	8.4
57.07064	5.5
67.05508	100.0
69.07082	22.9
69.99722	19.8
71.04988	17.0
79.05498	38.7
81.03402	9.9
81.07061	49.9
83.04974	4.4
83.08619	16.6
87.04498	5.8
91.05494	33.6
93.07047	41.5
95.04980	10.4
95.08617	44.2
97.10204	4.4
105.07029	30.2
107.08591	24.2
109.06554	4.8
109.10164	50.0
116.19482	4.3
117.07043	6.1
119.08571	22.9
121.10130	21.6
129.06940	5.1
131.08562	12.3
133.10156	14.9
135.11696	19.5
137.09660	8.9
143.08574	5.7
145.10150	12.2
147.11693	10.3
151.24811	4.2
157.10121	11.4
159.11690	5.9
163.11150	6.6
169.10088	5.9
171.11768	7.6
173.11832	5.1
193.12248	7.5
211.13211	8.8
221.15393	8.9
228.96303	4.1
240.96379	4.7
283.26541	9.0
285.17001	8.3
287.18509	13.1
335.25897	22.8
337.27325	14.6
403.46805	5.7
489.35767	90.9
515.37445	6.7
547.39752	43.3
582.27808	9.3
582.40540	20.3
583.41162	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	582.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.3
53.51953	3.1
55.01866	5.3
55.05516	38.6
57.03449	16.7
57.07075	9.1
59.04966	2.5
64.01412	3.4
65.03953	3.5
67.05512	75.1
69.03421	6.5
69.07081	35.4
69.31138	27.1
71.04987	4.7
71.08646	3.2
79.05035	1.9
79.05498	56.6
81.03431	60.9
81.07064	85.6
83.05003	23.4
83.08629	36.5
85.02919	25.6
85.06536	3.7
91.05488	57.1
93.07049	52.7
95.04988	27.6
95.08616	53.9
97.06525	10.3
97.10163	7.1
105.07040	48.8
107.05007	11.0
107.08610	27.0
109.06541	12.1
109.10175	30.5
110.10547	4.2
111.08089	11.2
115.05366	3.0
117.07015	9.5
119.08588	37.4
121.06506	6.4
121.10165	29.9
123.08083	7.2
123.11700	8.4
128.06166	5.2
129.07016	16.9
131.08565	19.8
133.10155	25.8
135.08098	3.9
135.11754	8.4
137.09612	4.4
137.13292	3.8
143.08572	12.3
145.10139	17.6
147.07971	5.1
147.11700	21.7
149.09622	13.5
149.13199	3.1
150.33672	3.4
155.08537	5.0
157.10130	22.4
159.11722	8.8
161.09502	3.1
161.13298	3.9
165.12775	7.1
169.10109	4.2
171.11708	9.9
173.13251	10.2
175.11253	14.6
175.14830	5.2
183.11720	7.9
185.13217	4.1
191.14343	7.3
193.12248	58.0
211.13286	83.7
235.14989	3.4
267.16028	20.1
285.16986	77.2
323.71158	3.2
335.25882	4.7
337.27390	100.0
373.53531	2.9
529.38733	8.2
547.39972	65.9
582.41278	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	582.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.05502	9.3
57.07076	5.6
62.53069	2.7
67.05497	13.0
69.03421	6.9
69.07058	9.4
69.28352	9.9
69.28773	13.1
79.05499	21.7
81.07069	30.9
83.04964	5.5
83.08611	8.7
85.06541	2.9
88.53791	3.2
91.05490	31.5
93.07043	39.4
95.04969	53.5
95.08632	16.6
95.68301	2.4
97.10188	2.6
100.01968	2.4
105.07036	53.0
107.04962	3.8
107.08611	40.1
109.06509	8.3
109.10166	14.0
115.05466	3.0
117.06979	14.7
119.04987	4.2
119.07810	4.6
119.08591	54.8
120.09417	3.5
121.06528	6.2
121.10143	26.5
122.07265	4.5
123.08050	13.5
123.11725	4.7
128.06190	13.8
129.06995	24.0
130.07784	10.1
131.08585	35.1
132.09373	2.9
133.06482	3.3
133.10114	29.8
135.08029	14.5
135.11707	10.6
137.09676	5.2
141.06993	9.6
142.07756	13.8
143.08571	48.9
144.09308	9.6
145.06409	3.4
145.10130	52.9
147.08076	6.1
147.11696	11.8
149.09612	9.8
151.11169	4.9
153.07053	5.3
154.07758	6.2
155.08603	17.3
156.09344	18.8
157.10138	48.1
158.10893	12.2
159.08055	11.3
159.11723	23.4
161.09625	13.9
165.07016	5.4
165.09149	4.4
166.07803	4.4
167.08569	12.0
167.10704	8.7
168.09320	11.3
169.10123	26.0
170.10876	7.0
171.08087	4.2
171.11707	35.3
172.08850	4.3
173.09680	15.4
173.13261	12.8
175.11176	5.9
175.14851	3.7
176.50505	2.9
179.08559	12.1
180.09352	6.8
181.10109	21.5
182.10886	9.9
183.11725	31.4
184.12480	5.2
185.09619	7.2
185.13313	15.4
187.11151	9.8
189.09134	3.1
189.12772	8.5
191.14304	8.9
192.09340	9.6
193.10147	9.8
194.10922	10.5
195.11734	26.2
196.12518	6.8
197.09584	6.5
197.13269	18.0
198.13960	5.2
199.11220	14.7
199.14815	9.9
201.12640	3.7
203.14317	8.0
205.10139	6.4
206.10916	7.9
207.11717	20.3
208.12512	9.2
209.09616	5.5
209.13223	27.1
210.10521	3.4
210.14005	6.2
211.11179	9.3
211.14819	11.8
212.12039	4.1
213.12718	9.6
213.16235	3.5
215.14272	6.0
217.10162	6.0
217.12190	3.0
217.15923	3.8
219.11691	7.4
220.12491	4.2
221.13278	13.1
221.15338	6.1
222.10384	3.5
222.14058	5.5
223.11200	5.8
223.14809	12.4
224.11919	4.9
225.12749	7.7
225.16438	6.2
226.13493	3.9
227.14326	16.7
230.10789	5.2
231.11723	4.9
232.12447	6.2
233.13297	6.7
233.15356	5.9
234.13995	4.4
235.11127	4.0
235.14886	8.0
237.12601	4.2
237.16376	4.6
239.14252	6.5
244.12410	4.9
245.13171	6.7
247.14865	6.8
249.12842	3.9
249.16312	6.8
251.14058	4.5
253.15784	6.9
255.17450	6.8
259.14847	6.9
261.16385	7.6
263.14288	5.2
263.18002	3.6
265.15836	6.0
267.17310	4.1
271.17081	5.1
273.18588	65.2
277.19492	3.5
286.19385	5.8
289.15851	10.0
291.17657	4.7
291.20959	6.3
299.20190	26.7
307.20605	4.8
309.21893	4.2
315.21387	3.6
319.20465	7.2
325.21719	5.7
337.21628	23.7
345.21738	3.7
351.23227	7.6
352.24020	100.0
355.14166	3.2
363.23108	6.8
365.24710	14.2
429.27777	5.2
434.27817	6.9
443.29196	3.8
444.30386	46.4
444.36185	6.1
445.31042	8.2
490.34470	17.5
526.33661	4.0
537.35132	3.4
549.37244	4.1
564.39685	3.1
582.40656	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44461	2.4
55.05515	17.0
57.03429	10.9
65.03944	3.0
67.05505	51.9
69.07066	17.2
69.17181	2.5
71.04989	2.9
71.32941	2.7
71.50608	4.4
79.05495	30.7
81.03414	2.6
81.07056	100.0
83.04971	4.5
83.08618	9.2
85.06543	3.7
91.05481	26.1
93.07045	34.3
93.62836	2.4
95.04983	2.5
95.08606	33.6
97.06540	7.3
97.43922	2.4
101.05250	2.7
105.07047	30.8
107.08607	17.1
109.06561	3.6
109.10180	7.5
119.08559	27.3
121.10157	26.2
123.11733	24.9
129.62933	2.7
131.08606	5.7
133.10167	7.5
135.11690	5.2
137.13257	3.8
145.10144	4.9
147.11697	46.6
149.13229	4.2
163.14894	3.7
165.12770	17.3
187.14851	3.1
243.20908	3.3
261.22287	14.0
267.15930	43.3
285.16971	43.8
317.24948	3.0
335.25778	58.3
374.60748	3.0
459.04489	2.6
471.50119	2.8
524.81653	2.6
545.38251	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1507
Annotation	Leucoside
Peak:m/z	Relative Intensity
50.50229	0.4
50.97726	0.3
51.17011	0.4
57.03440	3.1
61.02919	0.8
61.13042	0.4
69.03410	0.5
70.40131	1.4
71.01353	0.4
73.02922	7.5
84.13998	0.3
85.02900	0.7
97.02879	0.7
111.00827	0.6
114.53493	0.3
115.03890	0.5
121.02853	2.5
127.03889	0.5
141.97772	0.3
153.01863	3.0
165.01828	1.7
171.04353	0.4
183.02863	0.6
185.06041	0.4
213.05449	1.2
241.04982	0.8
258.05295	1.4
259.06024	0.4
276.86417	0.4
287.05521	100.0
288.05707	1.0
432.71909	0.4
449.10837	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	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.05516	32.1
56.36460	4.0
57.03442	21.4
57.07081	6.1
57.36075	4.2
65.03938	8.8
66.20889	3.7
67.05507	86.1
69.07075	19.6
71.04990	9.3
79.05500	66.6
81.03422	86.5
81.07062	77.6
83.04989	33.9
83.08621	42.3
85.02908	26.4
85.06528	3.7
91.05492	62.0
91.12285	3.6
93.07042	54.5
95.04962	31.5
95.08613	56.0
97.06546	7.8
98.20737	8.1
100.90808	4.1
105.07039	41.3
107.04956	6.5
107.08607	29.2
109.06543	7.4
109.10187	22.6
111.08088	11.8
117.07029	9.5
119.08613	30.5
121.09387	4.9
121.10125	26.4
123.11733	6.6
129.07008	14.3
131.08565	17.5
133.10127	27.3
135.11696	11.4
145.10115	7.8
147.11710	28.7
149.09618	11.5
149.13277	5.6
157.10138	21.4
160.98819	3.9
165.12750	4.8
169.62648	3.7
175.11211	18.9
193.12259	65.5
211.13287	93.0
211.15303	5.2
231.97787	3.7
243.21242	3.7
261.22086	9.9
267.15921	21.2
285.16998	82.3
335.25845	100.0
377.40967	4.4
525.17859	6.8
527.37250	7.3
545.38336	58.5
581.24115	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	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84495	2.0
51.48284	2.1
53.03939	3.5
55.05309	2.3
55.05517	23.6
57.03440	18.1
65.03947	5.0
65.39570	1.9
66.12078	2.0
67.05509	56.0
68.45669	2.6
69.03410	3.8
69.07079	15.4
69.14712	18.0
69.15115	6.7
71.05002	3.7
79.05492	45.9
81.03423	44.1
81.07063	54.0
83.04991	12.0
83.08617	17.7
85.02893	14.2
91.05486	44.4
93.07047	49.3
95.04974	20.7
95.08613	34.7
97.10152	3.9
98.20803	4.6
99.28748	2.1
105.04585	2.2
105.07055	24.5
107.04952	7.0
107.08613	20.5
109.06536	4.3
109.10191	16.4
111.08070	7.5
117.06997	5.4
119.08590	22.0
121.10155	19.5
123.11720	3.3
125.09605	2.8
129.06993	11.0
130.59317	2.2
131.08597	16.4
133.10141	15.5
135.11696	9.7
142.07817	3.0
145.10117	5.2
147.11674	15.2
149.09651	5.5
149.13203	4.0
157.10187	4.1
159.11703	2.8
175.11180	11.7
181.29953	2.3
193.12236	37.5
211.13303	48.9
261.22153	9.1
267.15967	10.0
285.16965	44.2
335.25812	100.0
383.61102	2.7
387.62085	2.2
400.45926	2.4
485.84860	2.3
506.28586	3.0
527.37347	7.5
545.38428	58.8
595.57123	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	580.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
55.01881	6.1
55.05521	30.5
57.03431	13.7
57.07070	4.5
65.03942	5.6
67.05507	73.7
69.07078	31.2
71.05011	3.5
71.27608	5.3
79.05496	49.4
81.03410	6.2
81.07058	75.7
82.07394	3.2
83.04985	6.3
83.08632	20.1
85.06561	4.3
91.05460	31.8
93.07050	60.3
94.07401	2.8
95.04970	10.1
95.08608	73.8
97.06544	5.0
97.10178	4.7
99.04443	4.0
105.07042	18.9
107.04962	10.9
107.08595	43.4
108.08927	3.8
109.06548	3.7
109.10164	21.3
111.04474	3.0
117.07024	10.4
119.08560	17.9
119.48592	3.3
121.06528	6.1
121.10131	22.8
123.11758	5.5
125.09692	2.7
131.08583	5.4
133.10143	11.9
135.08118	4.1
135.11696	46.7
145.10127	30.7
147.11691	10.2
157.10162	3.7
163.11206	50.7
175.11133	2.9
181.12259	16.9
227.12785	100.0
228.13136	3.2
267.16013	5.3
283.15402	93.0
285.16937	12.5
335.25909	11.7
337.27408	95.9
338.27753	5.1
376.29758	2.7
376.52002	3.3
456.35828	3.1
467.93878	3.4
474.36523	3.4
530.39154	12.0
545.38348	80.4
548.40137	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	579.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01861	6.2
55.05511	38.3
57.03424	10.1
57.07055	7.9
59.04991	3.5
60.46700	4.1
65.03920	4.6
65.34442	3.6
67.05507	100.0
69.03412	4.9
69.07074	31.9
71.04987	10.1
71.08627	6.5
71.50854	4.8
79.05491	61.4
81.03432	19.3
81.06604	6.1
81.07057	96.0
83.04974	9.9
83.08621	30.7
85.06568	6.7
90.95609	3.2
91.05480	39.2
93.07047	60.9
95.04955	12.3
95.08611	61.8
95.47979	4.0
97.06531	10.8
97.10199	17.5
105.07029	46.9
107.04913	3.7
107.08595	34.9
109.06544	6.3
109.09561	4.2
109.10161	37.0
111.08065	7.2
113.09579	3.8
117.07005	16.0
119.08594	37.5
121.10127	29.0
123.08047	6.6
123.11671	9.7
125.09665	17.7
129.07018	8.9
131.08539	22.5
133.10170	25.9
135.08087	4.7
135.11691	13.2
137.13272	6.0
139.11198	4.8
143.08585	7.4
145.10121	16.7
147.11671	14.8
149.09575	8.9
149.13283	6.2
157.10114	11.5
159.11690	10.3
161.13258	9.3
163.11180	5.4
171.11682	7.9
173.11794	6.1
173.13191	3.9
174.79214	3.5
175.11215	3.9
175.14825	6.3
177.16447	5.1
185.13332	6.2
187.14804	8.1
189.11194	6.0
193.12198	9.3
197.13263	3.9
201.16508	4.3
211.13348	3.6
227.12808	13.8
239.16493	9.5
267.15900	18.9
289.21774	4.2
303.26764	9.2
305.24658	6.4
327.26358	5.6
337.27255	16.0
365.26706	9.8
403.27750	3.6
437.34305	17.0
455.34967	23.2
473.35971	9.5
489.35278	5.9
511.37704	8.5
529.38812	70.7
543.36737	4.3
547.40039	38.4
561.40363	10.3
579.39014	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	579.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.5
57.07083	22.3
59.05002	3.1
67.05509	66.3
69.07056	9.4
71.05013	3.5
71.08627	12.3
71.50491	2.7
71.50876	3.0
79.05483	5.4
81.07054	20.5
83.08636	14.0
85.06551	3.9
85.10192	8.1
91.05469	6.8
93.07062	6.1
95.08604	19.1
97.10164	4.3
107.08620	3.4
109.10167	46.3
113.00024	9.7
119.08634	3.1
121.10149	3.8
123.11684	3.8
135.14107	2.3
137.09628	3.2
145.10071	2.9
155.10661	3.0
155.43550	2.7
166.98659	2.4
169.02631	8.7
173.11755	11.4
229.14287	3.6
239.23724	5.4
467.37357	100.0
579.41711	4.3
579.51929	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92894	2.1
53.03937	7.8
55.01868	8.5
55.05513	24.5
57.03434	8.2
57.07076	3.0
65.03936	5.4
67.05511	100.0
69.03439	4.8
69.07072	21.4
69.64845	2.1
70.16717	4.6
70.17131	8.4
71.04986	6.7
79.05074	4.5
79.05499	56.6
81.03423	7.7
81.07063	84.0
83.04985	11.8
83.08624	13.3
85.02870	3.1
85.06551	6.2
91.05486	48.7
93.06494	3.9
93.07053	62.4
93.07639	3.6
95.04981	14.1
95.08615	58.7
95.82440	2.6
97.06533	10.5
97.10172	10.9
98.20878	2.5
99.04472	2.3
103.05468	2.5
105.04536	2.3
105.07034	35.2
107.04951	14.3
107.08607	44.1
109.06518	6.3
109.10161	40.2
109.97770	2.8
111.04449	11.3
111.08090	5.4
113.06020	2.2
115.05421	2.6
117.07007	17.2
119.08594	32.4
121.10155	45.5
123.08000	3.0
123.11726	8.6
125.09627	7.9
129.06998	7.8
131.08580	25.8
133.10158	23.1
135.08105	3.8
135.11676	23.3
137.09608	3.0
137.13206	4.6
139.11124	6.9
143.08630	4.9
145.10127	26.1
147.08055	2.6
147.11662	14.8
149.09648	6.4
149.13248	6.6
153.12784	6.2
155.08554	6.4
157.10146	7.4
159.11668	11.1
161.09737	3.4
161.13264	10.4
163.11191	16.4
163.14888	4.1
169.10153	3.2
171.10341	2.4
171.11716	7.2
173.09645	9.0
173.11809	5.5
173.13287	9.0
175.11197	3.3
175.14804	3.3
181.12263	6.5
183.11714	4.2
185.13258	5.8
187.14850	2.8
189.11240	3.6
191.10704	9.5
193.12250	4.4
197.13383	3.4
205.15672	2.3
209.11719	9.0
211.13327	4.1
220.51089	2.5
227.12738	12.6
229.14333	8.7
235.16911	4.1
243.21170	4.7
245.13910	5.1
250.42699	2.5
260.21405	2.5
261.22217	18.1
265.14282	11.1
267.15964	5.2
277.21637	5.7
279.23199	5.9
283.15317	13.4
299.23807	3.5
301.16507	21.6
301.21521	3.1
303.23227	4.9
315.23157	3.5
317.24731	6.0
333.23993	2.6
335.25864	18.7
347.25766	2.4
363.25446	3.7
419.27756	2.9
433.31183	3.0
451.32114	6.3
469.33075	8.7
487.34036	7.3
489.35730	4.6
515.37128	4.3
525.35870	6.7
543.36810	16.8
561.37775	28.5
579.38580	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	579.2605
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
50.05624	0.5
55.05491	0.8
57.07058	1.0
67.05505	2.8
69.07043	0.6
69.18629	3.0
69.19054	2.2
71.08615	0.5
81.07056	1.1
83.08652	0.6
93.07023	0.6
95.08608	1.1
101.44790	0.5
109.10164	2.0
136.80873	0.6
203.40442	0.5
205.44713	0.5
235.12323	0.8
247.23790	0.5
356.16757	0.6
363.16068	1.1
364.16931	1.1
365.17700	0.6
375.15936	0.8
376.17258	0.6
377.17789	1.5
378.18564	1.1
379.19275	1.9
389.17749	1.7
390.18427	0.9
391.19321	1.7
392.20020	1.6
393.20575	3.2
403.19586	1.0
404.19852	1.0
405.16968	1.6
405.20901	1.8
406.17749	2.4
407.18167	1.4
407.22458	2.1
417.21338	0.7
419.18701	1.3
419.23318	0.8
420.15067	0.9
420.19638	0.8
421.19962	7.7
431.18301	0.8
433.15967	3.6
434.16595	2.5
435.17328	5.9
435.22961	1.4
436.22589	13.1
437.23203	1.1
445.20206	1.7
447.22583	3.0
448.18619	2.9
449.19379	11.1
450.24011	1.6
459.21494	1.2
460.22562	1.8
462.20456	2.0
463.21152	10.5
464.21783	1.6
467.37302	3.6
474.23990	1.0
475.21118	13.1
477.23001	5.5
491.24625	3.3
492.21600	15.5
493.22556	1.0
494.22964	1.0
501.22876	1.0
503.24588	3.0
507.27551	1.8
519.23419	3.0
522.22852	1.4
523.27112	13.4
533.25464	1.3
535.27441	3.1
547.24396	1.7
551.26550	27.0
561.24799	0.7
579.25995	100.0
580.26355	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1715
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03955	2.8
55.05502	3.2
57.03450	13.2
69.03421	8.9
70.91432	3.0
70.91758	3.1
71.05005	78.1
73.02913	11.3
75.04475	4.8
75.92596	2.0
83.04968	11.8
85.02920	100.0
89.96629	1.8
95.04969	3.0
98.89104	2.2
99.04474	4.7
109.02901	3.1
111.04455	7.2
117.05523	9.0
119.15042	2.0
121.02881	14.1
127.03887	3.5
129.05502	25.2
147.04442	2.7
147.06534	3.2
153.01833	2.2
153.05623	3.5
163.03894	3.2
163.06012	8.4
167.07141	2.9
194.80974	1.9
239.09053	2.1
246.33299	2.3
283.05954	4.3
286.04742	2.7
287.05527	85.6
288.06097	2.6
299.05496	23.1
300.06250	4.9
311.05481	8.2
313.06863	3.2
325.07205	9.5
327.08514	3.6
329.06558	49.5
351.08554	6.8
353.06732	17.8
355.08371	2.9
379.08142	20.7
387.14328	2.0
397.09253	44.6
415.10342	22.9
433.11356	33.3
579.23016	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
55.01866	3.5
65.03934	5.0
66.04279	1.6
67.05482	3.4
69.03413	2.1
71.04998	1.7
75.04487	2.3
78.04691	2.1
79.05490	7.2
81.03422	16.7
81.07077	3.5
85.02910	4.3
89.03903	2.2
91.05485	12.4
93.03402	2.1
93.07061	3.6
95.04974	5.6
95.08617	2.2
97.06537	1.8
102.04699	2.7
103.05479	21.0
104.06297	1.8
105.03400	3.3
105.07052	13.4
106.04224	2.3
107.04959	8.3
107.08618	2.4
109.06515	2.2
110.03648	1.7
115.05437	10.7
117.07019	6.7
118.04166	2.2
119.04955	12.9
119.08595	2.6
121.06503	7.8
122.03638	3.3
123.04433	10.1
124.05245	1.8
125.06006	4.9
127.03927	4.7
129.07002	3.5
131.04930	34.3
131.08514	2.7
132.05698	4.7
133.02858	2.3
133.06516	11.1
135.04485	3.4
135.08058	2.4
136.05232	4.3
137.05994	50.1
139.03891	3.8
143.04951	2.2
145.06519	17.3
147.04433	16.9
147.08063	3.8
148.05197	6.8
149.05966	5.2
151.03915	19.2
151.05020	2.6
151.07547	35.0
152.08122	1.7
153.05453	5.9
155.07101	3.8
157.06531	1.9
159.08092	2.8
160.05193	3.3
161.05991	21.0
162.06766	3.3
163.03932	5.4
163.07579	15.4
165.05496	3.6
165.09081	2.1
167.07048	68.7
173.06030	6.1
175.07549	11.2
176.04584	1.9
176.08270	2.4
177.05513	8.3
177.09068	10.8
179.06985	2.5
181.04965	42.5
181.08507	9.0
187.07593	4.5
189.05528	2.3
189.09117	5.5
190.06125	1.8
191.07042	64.8
192.07788	3.4
193.08553	4.6
203.07062	3.8
205.08525	6.9
207.06517	4.6
209.08070	2.9
217.08554	3.1
219.10191	5.0
221.08055	2.0
233.08096	5.9
235.07405	2.5
235.09630	7.8
237.09193	4.2
239.07135	2.4
247.09564	1.9
263.09100	5.2
266.35663	2.1
267.09958	2.1
269.11734	3.4
271.05927	2.8
295.09918	2.4
297.11276	5.0
311.09253	2.9
315.08658	3.4
325.10571	2.3
327.12320	2.9
337.10580	2.1
355.11984	2.0
357.13431	3.1
385.12668	2.9
387.14160	2.3
547.19696	100.0
548.20074	2.3
551.22754	3.4
579.22156	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1503
Annotation	Kaempferol 3-(6''-(Z)-cinnamylglucoside)
Peak:m/z	Relative Intensity
51.02400	0.3
53.03948	1.6
55.01873	0.3
57.03431	0.4
61.02908	0.3
67.05500	0.3
68.99789	0.3
69.03436	1.8
69.07057	0.3
71.04990	0.3
77.03938	0.5
79.05489	0.3
81.03423	6.1
81.07076	0.4
82.43908	0.2
85.02895	1.6
91.05470	0.5
93.07021	0.4
95.04968	1.2
97.02901	3.3
99.04456	0.8
102.04725	0.3
103.05473	35.3
104.05789	0.3
105.04527	0.6
105.07069	0.4
107.04966	0.3
109.02898	2.0
109.10226	0.3
111.00848	0.6
119.03222	0.2
119.04945	0.3
119.08575	0.4
121.02870	1.8
121.06478	0.3
127.03905	1.4
131.04938	100.0
132.05280	0.8
135.04393	0.4
135.08089	0.3
137.02345	0.7
137.05952	0.4
137.09703	0.3
145.04984	0.6
145.06577	0.3
147.04430	1.3
149.04803	0.3
149.06004	6.5
153.01842	2.3
157.06483	0.2
161.05984	0.4
163.03935	0.3
165.01843	1.1
167.07043	0.5
175.04001	0.2
178.85278	0.2
181.05066	0.3
183.02888	0.5
185.06059	0.3
207.06680	0.3
213.05528	0.8
258.05280	0.7
259.06143	0.4
271.06049	0.3
275.06134	0.3
275.09155	7.0
280.36154	0.2
287.05518	45.9
288.05853	0.6
293.10086	1.1
329.06799	0.3
329.37503	0.3
383.30118	0.2
579.20001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.15
Annotation	Kaempferol 3-(6''-(Z)-cinnamylglucoside)
Peak:m/z	Relative Intensity
50.01602	0.2
51.02369	0.3
53.03954	1.3
55.05510	0.4
61.28683	0.2
62.45474	0.2
67.05508	0.4
69.03432	1.7
69.85616	0.7
69.86006	0.4
71.04996	0.4
73.02918	0.3
73.52186	0.2
77.03924	0.7
79.05494	0.4
81.03421	5.3
81.07076	0.3
85.02911	1.7
87.93633	0.3
91.05499	0.5
93.07057	0.4
95.04979	1.2
97.02901	3.7
99.04433	0.6
102.04681	0.5
103.05473	36.4
104.05804	0.3
105.04540	0.5
105.07022	0.7
107.04953	0.5
107.08608	0.2
109.02886	2.0
111.00795	0.5
119.04960	0.3
121.02870	1.3
127.03893	1.5
131.04935	100.0
132.05255	0.7
133.02855	0.3
135.11705	0.2
138.83023	0.2
140.47531	0.2
145.02730	0.3
145.04916	0.6
147.04419	1.1
149.05992	7.2
153.01828	2.3
157.06541	0.4
165.01872	1.5
167.07048	0.4
171.04364	0.3
183.02858	0.4
207.06529	0.3
213.05495	0.9
231.06471	0.4
241.04929	0.5
258.05157	0.5
269.04443	0.3
271.05981	0.3
275.09149	6.7
277.14432	0.3
283.30417	0.2
287.05515	46.0
288.05762	0.7
293.10309	1.4
294.65884	0.3
298.22141	0.2
329.06790	0.4
350.83270	0.3
579.17957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1505
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
51.02380	1.2
53.03944	1.4
55.01869	2.7
65.03948	0.9
67.01863	0.9
67.05521	1.0
68.99788	5.3
69.03451	0.6
70.43171	1.9
77.03953	0.7
79.05467	0.7
81.03422	2.9
85.02916	1.8
89.03928	0.9
90.48779	0.6
91.05484	1.6
93.03385	1.0
95.04972	1.6
97.02887	0.9
98.97567	1.2
99.04523	0.9
103.05480	0.7
105.03365	0.9
107.04955	2.9
109.02866	3.1
111.00802	2.8
111.04450	2.8
119.04945	2.7
121.02881	2.2
123.04435	46.0
127.03924	100.0
129.71793	0.6
131.04956	2.2
135.04420	32.0
137.02335	4.6
137.05952	0.7
139.03909	56.5
141.06969	1.0
145.06476	0.9
147.04393	7.2
149.02361	5.1
149.06001	2.0
151.03900	12.5
153.01833	2.7
155.04869	1.2
157.06453	0.8
159.04419	3.5
161.05956	3.6
163.03912	34.9
165.05481	5.0
167.03415	8.1
169.06541	1.5
173.06024	2.1
175.03954	4.5
175.07591	0.9
177.05502	4.7
179.02094	0.7
179.03415	4.7
179.06999	0.7
179.20470	0.6
181.04930	1.1
183.04465	0.9
184.25235	0.7
187.03857	5.5
189.05501	2.8
191.03398	13.6
193.04953	4.9
197.05927	3.4
200.04729	0.7
201.05484	7.4
201.16794	0.6
203.03413	10.3
203.07001	2.2
205.05003	4.3
207.06595	1.5
209.06050	0.8
211.03949	0.8
213.05556	1.8
215.03416	1.8
215.07146	3.6
217.04985	1.4
225.05444	1.0
227.06955	0.7
229.04985	9.3
231.06586	2.1
232.04021	0.7
233.04466	7.3
237.05354	1.4
241.04955	1.9
243.06567	5.1
245.04482	9.6
247.03485	1.2
247.06036	21.7
251.05611	1.0
253.04817	1.4
255.06490	2.3
257.04453	11.1
258.05267	1.0
259.06015	11.6
261.07776	1.0
269.04507	3.1
271.06027	17.5
271.99274	0.6
273.07590	1.5
275.05511	20.3
279.00146	0.9
280.08060	0.6
283.06052	7.5
285.07541	0.9
287.05508	26.5
289.07071	11.6
291.08652	12.2
299.05579	4.7
301.07089	18.2
303.08698	4.1
311.05762	1.2
333.09933	0.7
379.08258	1.0
409.09204	28.8
411.10788	2.4
421.09427	1.2
427.10193	6.4
435.10718	1.2
439.10324	1.3
545.11066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1503
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
51.02383	1.7
53.03949	1.2
55.01868	2.4
65.03944	1.2
67.01884	0.8
67.05474	1.2
68.99799	5.9
70.39938	0.8
70.93799	2.1
77.03933	1.2
81.03421	3.1
82.22132	0.7
85.02907	1.3
89.03898	0.8
91.05482	1.4
93.03406	0.8
94.74119	0.8
95.04988	2.4
97.02885	1.0
99.04448	1.8
103.05428	1.0
105.03420	1.3
107.04958	4.6
109.02873	3.6
111.00809	2.8
111.04439	1.9
115.05443	1.8
119.04983	4.6
119.47430	0.9
121.02872	2.9
123.04439	84.9
127.03925	100.0
131.04921	3.0
135.04427	35.7
137.02406	4.3
137.03319	0.7
137.05992	1.6
139.03914	36.6
141.07021	0.9
143.04947	1.3
145.06468	1.0
147.04414	13.5
149.02361	3.8
149.06012	2.3
151.03893	6.8
153.01868	2.1
159.04381	3.6
161.05933	4.1
163.03909	39.7
165.05508	9.0
165.06789	1.3
167.03447	6.1
167.07085	1.3
169.06491	2.2
172.79243	0.9
173.05984	4.9
175.03891	4.8
177.05492	4.1
179.03395	5.4
181.04977	2.3
183.04434	0.8
185.06076	1.1
187.03836	6.9
187.07468	1.2
189.05482	2.7
191.03415	9.8
193.04974	6.0
197.05940	4.1
201.05499	7.4
203.03400	8.7
203.07060	1.8
205.04997	2.1
207.06561	2.0
213.05394	3.8
215.03383	1.8
215.07082	3.1
217.04973	3.7
225.05531	1.2
229.04942	7.3
231.06551	2.4
233.04480	2.7
237.05585	0.9
241.04997	1.9
243.06421	4.0
245.04498	12.2
247.06035	19.3
253.04924	1.9
255.06543	2.9
257.04456	15.3
258.05377	1.5
259.06061	5.3
269.04459	3.3
271.06046	20.6
273.07755	1.7
275.05496	13.9
283.06042	6.2
285.07629	2.6
287.05518	31.7
289.07117	11.1
291.08688	10.5
299.05502	7.7
301.07068	8.4
303.08640	3.4
313.07132	1.1
329.10587	0.8
333.09756	1.0
373.25455	0.9
399.11078	1.0
409.09210	30.7
411.10745	4.8
417.11838	3.8
421.08981	1.2
427.10248	5.5
435.10837	4.9
439.10248	3.2
451.10593	0.8
453.11679	1.2
561.13989	1.0
579.20227	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1498
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
55.01873	2.4
57.71388	1.1
64.05370	1.1
65.03938	2.2
68.99789	4.9
70.28574	3.8
70.28940	1.2
70.47069	1.3
79.05482	1.1
81.03410	3.3
82.74454	1.3
88.27449	1.5
89.03925	1.6
95.04969	2.2
105.03394	1.6
107.04942	2.9
109.02864	3.1
111.00794	4.1
111.04454	2.5
117.07016	1.7
119.04937	2.4
121.02855	1.5
123.04437	67.9
127.03927	100.0
131.04910	1.2
135.04433	30.5
137.02371	6.2
139.03912	66.9
143.49973	1.0
147.04399	7.6
149.02318	4.7
149.05994	2.4
151.03911	18.1
159.04436	2.5
161.05991	5.6
163.03912	43.6
165.05452	7.8
167.03378	7.5
169.06473	1.3
173.06000	2.5
175.03873	4.9
177.05496	7.2
179.03418	5.4
181.04977	1.5
181.06470	1.9
182.98822	1.4
185.05998	3.0
187.03873	7.9
189.05470	3.7
191.03415	17.3
193.04976	5.6
197.06010	3.2
201.05508	8.7
203.03400	11.6
203.07111	2.1
205.05006	4.3
207.06512	1.6
213.05511	1.6
215.03398	2.0
215.07054	4.0
217.04967	2.7
225.05424	1.9
229.04999	9.9
231.06451	3.6
233.04413	7.6
238.72356	1.2
243.06500	5.2
245.04404	10.0
247.06052	25.7
253.05124	1.6
255.06548	2.7
257.04465	15.9
259.05991	13.0
261.07407	1.3
269.04471	3.5
271.06027	18.2
273.07565	3.2
275.05524	21.9
283.05975	10.6
285.07391	1.7
287.05533	35.4
289.07071	15.7
291.08652	14.8
299.05475	5.3
301.07101	21.1
303.08569	3.7
409.09195	35.0
409.14453	2.7
411.10645	3.0
421.08981	2.4
427.10370	7.9
435.10599	2.7
571.98688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
54.21104	0.7
55.01873	1.6
65.03943	1.4
68.99822	4.8
70.01801	2.0
70.02193	1.7
81.03411	3.4
95.04990	1.3
99.04473	1.0
107.04957	3.9
109.02895	2.9
111.00824	2.1
111.04450	2.7
117.03407	1.0
119.04941	1.3
121.02904	2.1
123.04437	41.9
127.03925	100.0
131.04951	1.3
135.04419	29.2
135.05450	1.5
137.02335	3.2
139.03912	43.9
141.06970	0.9
145.02910	0.7
145.06514	1.1
147.04416	6.2
149.02356	6.0
149.06020	1.8
151.03911	8.5
152.42384	0.7
159.04428	3.5
161.06017	2.9
163.03905	32.0
164.32455	0.8
165.05470	5.2
167.03409	6.7
169.06509	1.6
173.05984	3.5
175.03923	3.7
175.07666	1.0
177.05482	4.2
179.03442	3.1
181.06531	1.0
183.04414	1.0
185.05966	2.1
187.03825	5.1
189.05534	1.9
191.03409	12.8
193.03481	0.8
193.05026	3.2
197.05991	3.6
201.05487	6.3
203.03397	9.5
203.07065	2.2
205.04982	3.1
207.06509	1.5
213.05501	1.6
215.03406	1.9
215.07065	2.1
217.05046	1.1
227.06902	0.9
229.04964	6.9
231.06586	1.0
233.04475	5.8
241.04971	1.2
243.06519	4.4
245.04488	4.9
247.06021	16.4
251.05621	0.9
255.06528	1.8
257.04404	10.6
259.06033	10.2
269.04535	2.4
271.05997	19.4
273.07523	1.6
275.05505	17.2
283.06003	6.1
287.05521	21.0
287.08508	1.6
289.07074	13.3
291.08630	9.1
299.05533	3.0
301.07095	12.7
303.08615	1.9
313.06750	0.8
350.33359	1.1
403.31750	0.8
409.09210	22.0
411.10675	3.5
427.10364	5.1
525.27368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.0
55.01875	3.8
55.05509	19.4
57.03436	10.9
65.03957	2.6
67.05514	43.6
69.07072	13.3
69.81672	14.1
79.05507	35.1
80.05862	2.5
81.07065	47.8
83.08624	9.4
85.63982	2.8
85.88473	2.7
91.05489	15.7
93.07053	52.1
95.04967	5.8
95.08614	44.3
97.06532	6.2
98.18508	2.5
98.20909	3.9
105.07054	11.6
107.04964	6.5
107.08607	33.2
109.10165	10.8
117.07029	15.5
119.08585	14.3
121.06524	6.0
121.10136	16.0
131.08578	5.7
133.10121	9.0
135.11699	37.4
136.59129	2.8
137.65778	2.5
143.08498	2.8
145.10147	22.4
147.11729	2.9
149.13272	4.5
149.95830	2.5
157.09917	2.7
159.11700	3.6
163.11192	38.3
163.14830	3.2
165.65820	2.6
181.12183	7.0
192.63934	2.7
227.12802	67.8
261.22202	7.8
283.15433	49.6
335.25833	100.0
393.69101	3.0
528.37610	6.8
543.36877	53.5
546.38348	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	578.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
55.01872	3.8
55.05511	17.8
56.11816	2.1
56.83883	1.9
57.03441	13.5
67.05506	44.7
69.07069	11.7
69.94183	8.4
71.04975	4.9
79.05501	40.8
81.03414	4.9
81.07064	47.2
83.04981	5.8
83.08634	10.7
91.05492	18.4
93.06580	1.8
93.07044	53.0
95.04975	6.3
95.08611	58.6
97.06535	3.8
99.04465	3.5
105.07035	15.2
106.46049	2.0
107.04955	7.9
107.08601	33.5
109.10139	13.8
117.06989	9.4
119.08562	16.1
121.06531	4.6
121.10162	17.4
125.06003	3.8
125.36655	2.3
130.07777	3.1
131.08545	6.3
133.10109	5.3
135.08105	2.2
135.11697	49.1
145.10114	29.9
147.11707	2.8
149.13251	3.3
153.12762	2.0
158.10228	2.0
159.11647	4.4
163.11182	59.1
173.13213	3.4
181.12245	9.6
202.32764	2.0
227.12791	100.0
261.22147	7.9
283.15402	74.6
283.18533	3.8
317.24548	2.4
335.25818	99.2
543.36902	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.8
55.01862	7.3
55.05518	41.3
57.03434	18.0
57.07081	6.2
65.03941	6.4
67.05511	100.0
69.03439	5.8
69.07080	27.4
69.84126	7.3
69.84534	9.0
71.05013	16.6
79.05499	77.1
81.03421	20.6
81.07063	96.3
83.04990	11.3
83.08620	20.7
85.06539	8.1
91.05492	57.7
93.07054	72.8
95.04986	15.0
95.08068	5.7
95.08616	73.5
97.06536	15.8
97.10154	21.3
103.05455	3.6
105.04540	3.5
105.07042	60.0
107.04894	3.4
107.08600	42.3
109.06515	6.7
109.10162	31.6
111.04610	3.4
111.08070	4.9
115.05451	3.1
117.07002	23.4
119.08601	45.9
121.06529	6.6
121.10166	40.9
123.08067	7.0
123.11729	12.2
125.09647	15.7
128.06239	3.6
129.07027	15.4
131.08583	30.3
133.10167	25.7
135.08131	6.2
135.11714	23.8
142.07883	3.8
143.08578	12.5
145.10146	26.3
147.08061	3.9
147.11707	30.9
149.09666	14.0
149.13280	4.9
151.11191	3.6
155.08603	10.7
157.10146	17.0
159.11729	22.8
161.13266	12.5
163.11174	5.2
163.14832	4.3
169.10106	5.1
171.11707	13.5
173.11960	3.9
173.13240	17.2
175.11224	6.4
175.14832	7.2
183.11746	7.5
185.13287	12.5
187.14842	7.2
189.11328	9.4
193.12320	9.7
195.11858	4.5
195.13774	4.0
197.13275	7.3
199.13213	3.8
199.14857	3.6
209.13486	3.1
227.12840	21.2
241.19702	4.1
243.20996	3.2
259.20715	4.2
261.22168	10.5
267.15891	27.8
273.22037	3.8
287.20212	3.1
287.23624	5.6
289.21725	6.0
301.25180	10.0
303.23248	6.6
311.23972	3.6
327.23318	3.7
335.25912	19.1
363.25241	8.3
417.26065	3.8
417.31418	10.1
435.27493	6.5
435.32654	18.0
453.33820	15.9
471.34650	13.0
509.36383	5.6
518.91608	3.2
527.37323	69.1
545.38452	62.8
559.40045	12.0
577.40662	13.1
577.50214	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	577.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
54.48272	2.4
55.01863	5.9
55.05516	41.4
57.03434	16.6
57.07066	5.7
59.04984	3.4
65.03925	3.8
67.05145	4.1
67.05507	79.9
69.03422	4.0
69.07067	32.3
71.05000	15.2
71.08600	3.3
72.47326	2.7
76.68139	2.2
77.03934	2.9
79.05497	67.3
81.03426	26.5
81.06602	4.9
81.07063	100.0
83.04982	6.1
83.08632	19.6
85.06535	10.5
88.57139	2.3
91.05484	61.8
93.06493	4.1
93.07050	67.2
95.04971	15.0
95.08612	67.5
97.06531	13.7
97.10161	18.6
99.08084	5.6
103.05495	2.9
105.07040	56.5
107.08595	47.1
109.06506	6.0
109.10156	34.3
111.04451	2.8
117.07039	22.2
119.07813	4.2
119.08591	51.7
121.06489	5.3
121.10153	32.8
123.08075	5.8
123.11707	10.5
125.09660	12.4
128.06259	3.8
129.06998	13.8
131.08583	35.5
133.10149	35.1
135.08060	5.4
135.11707	17.3
137.09625	3.1
137.13278	4.2
139.11174	4.6
143.08585	12.5
145.10124	34.3
147.08063	4.6
147.11711	26.4
149.09641	6.8
149.13261	9.2
155.08562	9.2
157.10150	16.0
159.11684	20.5
161.09601	3.2
161.13268	16.5
163.11171	3.7
163.14818	4.4
165.12741	5.5
169.10117	10.9
171.11673	14.9
173.13258	12.1
175.11250	4.9
175.14871	7.6
177.12794	3.5
181.10133	3.9
183.11720	5.8
185.13228	9.2
187.14796	9.6
189.11220	10.4
193.12294	11.6
195.11734	4.9
195.13797	3.4
197.13283	7.5
199.13177	2.9
199.14806	7.5
209.13309	3.4
223.14952	2.7
227.12759	14.9
239.16324	6.9
243.21100	3.4
259.20663	2.8
261.22137	11.9
267.15927	22.0
275.20001	3.3
285.22144	5.1
287.19937	3.0
287.23700	4.0
289.21542	5.8
299.23785	4.3
301.22046	3.4
301.25150	11.6
303.23267	6.3
317.24768	3.4
327.22964	3.5
335.25858	15.4
359.25522	3.0
363.25226	8.2
417.26184	2.7
417.31482	6.8
435.32504	20.1
438.83661	2.8
440.95798	2.8
453.33737	14.6
461.31976	2.7
471.34595	10.8
475.29974	2.7
509.36221	7.6
527.37347	70.1
545.38434	55.9
559.39850	13.8
577.40692	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	577.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68399	3.5
53.03952	8.3
55.01877	7.1
55.05516	45.3
57.03430	15.0
57.07076	6.1
61.30227	4.3
65.03951	6.3
67.05507	90.1
69.03423	4.1
69.07071	31.8
70.18127	15.3
71.04983	12.5
73.06558	5.5
79.05490	54.8
81.03412	21.1
81.07059	100.0
83.05004	7.8
83.08628	23.6
85.06553	11.2
91.05476	57.0
93.07050	64.2
95.04972	18.3
95.08608	61.0
95.09188	5.1
97.06544	9.8
97.10185	18.3
99.08125	4.7
105.07044	58.4
107.04919	6.3
107.08606	43.0
109.06516	8.0
109.10178	30.1
111.28239	3.8
117.07022	23.2
119.08589	41.7
120.41480	3.9
121.10153	29.9
123.08076	7.2
123.11757	7.4
125.09630	11.9
129.07007	18.3
131.08591	37.2
133.10106	33.8
135.08043	5.1
135.11668	11.4
143.08594	12.6
145.10126	26.2
147.11671	25.2
149.09648	5.9
149.13242	9.0
155.08607	5.0
157.10185	18.6
159.11707	17.2
161.13289	15.3
163.14844	4.6
169.10161	7.3
171.11714	12.6
173.13274	11.3
183.11726	6.8
185.13307	8.3
187.14787	7.6
189.11215	10.8
193.12215	7.9
195.11899	5.1
197.13228	6.1
199.14983	5.2
213.16434	5.1
227.12798	17.4
243.17499	4.8
259.20450	4.7
261.22198	16.2
267.15848	22.9
273.28589	3.8
287.23557	4.7
299.23578	5.7
301.25311	7.8
317.24814	5.6
318.17178	4.7
335.25836	16.4
363.25360	8.6
417.31592	5.7
435.32779	16.6
453.33722	12.4
461.65793	4.6
470.61581	4.4
471.34793	7.7
509.36157	5.6
527.37415	39.6
545.38446	48.1
559.39813	13.9
577.40088	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01871	7.2
55.05280	3.1
55.05519	41.0
56.88386	3.1
57.03439	12.2
57.07075	6.1
59.04995	4.0
67.05512	94.0
69.07081	25.3
69.87848	3.6
71.04998	15.1
75.33669	3.2
79.05501	74.8
79.05943	2.8
81.03420	22.5
81.07064	100.0
83.04984	9.2
83.08619	26.3
85.06541	12.2
91.05495	67.8
93.07054	64.3
95.04975	21.0
95.08616	68.3
97.06556	14.5
97.10189	22.4
98.20770	11.3
105.07044	61.2
107.04987	5.2
107.08604	45.7
109.06516	6.8
109.10179	31.0
111.08056	6.6
117.07032	20.7
119.08596	40.6
121.06571	3.8
121.10155	33.7
123.08083	6.8
123.11712	12.9
125.09665	17.7
128.06230	4.1
129.07010	10.1
131.08575	38.4
133.10143	37.1
135.08099	7.9
135.11687	21.8
137.13261	5.7
139.11148	4.9
143.08571	11.5
145.10118	23.6
147.11684	28.8
149.09567	6.1
149.13251	10.2
153.83409	3.6
155.08546	12.4
157.10178	20.9
159.11719	22.1
161.09578	3.8
161.13301	12.9
163.14819	4.5
169.10147	7.0
171.10297	3.8
171.11693	15.4
173.13272	18.8
175.11176	6.2
175.14853	9.3
183.11700	8.4
185.13286	7.3
187.14784	9.7
189.11211	8.8
189.16425	4.1
193.12267	4.9
197.13292	8.6
199.14842	4.8
201.16460	6.6
227.12816	12.0
259.20618	4.7
261.22177	10.6
263.19852	4.0
267.15985	19.4
285.22171	5.5
287.23773	4.7
289.21326	4.6
301.25284	15.4
335.25906	18.7
363.25351	10.1
421.25916	4.4
435.32581	25.3
453.33652	10.9
471.34418	12.0
509.36203	4.8
527.30035	6.1
527.37396	72.2
530.43286	3.9
545.38385	50.9
558.99438	4.3
559.39783	11.8
577.40808	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	577.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.4
55.01873	7.3
55.05515	42.0
57.03443	16.0
57.07067	4.3
65.03960	4.8
65.24693	2.9
67.05508	96.8
69.03459	4.0
69.07066	27.2
69.32591	20.8
69.32999	5.5
71.04984	15.3
74.82452	3.1
77.03915	4.4
79.05496	68.0
81.03429	23.6
81.07059	100.0
83.04973	9.5
83.08632	26.5
85.06553	14.3
91.05489	59.5
93.07046	84.0
93.07554	3.1
95.04992	19.1
95.08614	58.5
97.06529	11.8
97.10184	18.0
99.08060	5.5
105.04547	4.9
105.07045	55.6
107.04969	5.1
107.08591	44.0
109.06525	3.9
109.10155	31.0
111.08059	5.8
117.07034	29.1
119.08580	45.0
121.10146	32.0
123.08072	6.4
123.11714	12.4
125.09615	17.1
128.06152	4.3
129.07027	14.7
131.08565	41.2
133.10146	36.2
135.08031	7.6
135.11662	19.5
137.09613	3.3
141.07045	4.3
143.08585	17.6
145.10117	28.8
147.11728	24.8
149.09686	6.5
149.13249	12.7
152.11754	3.1
155.08540	7.8
157.10143	16.5
159.11700	19.6
161.09624	4.4
161.13274	13.5
163.11127	5.3
163.14763	3.9
165.12758	5.0
167.08565	3.7
169.10152	8.8
171.11723	9.6
173.13289	13.6
175.11182	4.5
175.14891	4.0
177.12749	4.0
181.10165	5.2
183.11673	12.8
185.13278	9.4
187.14844	6.3
189.11234	4.2
193.12271	6.6
195.11745	4.7
197.13225	6.7
199.14896	6.0
201.16432	4.1
213.16370	5.2
227.12834	14.5
241.19669	3.4
261.22195	10.0
267.15854	25.0
285.22131	6.6
287.23557	4.3
289.21561	5.5
299.23685	4.4
301.25073	15.4
303.23370	5.0
335.25848	12.9
363.25449	8.0
417.31747	5.2
435.27206	7.2
435.32590	16.4
453.33789	17.2
471.34665	15.0
509.35965	9.9
527.37347	66.8
545.38348	53.1
559.39575	6.2
577.41034	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	577.226
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
53.92844	0.5
55.53147	0.4
65.78413	0.4
70.64846	0.6
70.65168	0.8
90.31684	0.4
99.72131	0.4
125.60169	0.5
135.50230	0.4
142.20099	0.4
185.04228	0.6
189.05234	12.1
219.06311	1.1
235.09428	0.9
243.64423	0.5
263.08969	0.6
277.10492	0.6
333.13287	0.6
351.14352	2.3
365.12100	12.4
379.13730	1.5
380.14438	17.0
381.15121	1.0
430.35580	0.5
577.22577	100.0
578.22858	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	3.4
53.03944	5.4
55.01865	9.0
55.05520	52.9
57.03429	12.6
57.07064	6.6
61.57482	3.0
65.03931	5.3
67.05513	100.0
69.03420	3.5
69.07085	26.9
71.04985	9.7
77.66920	3.3
79.05075	6.0
79.05503	70.1
81.03431	5.0
81.06606	5.4
81.07064	95.9
83.04971	8.9
83.08627	28.6
85.06538	8.2
87.79507	3.3
91.05486	57.5
93.07053	71.0
95.04961	14.2
95.08620	68.4
97.02935	3.5
97.06520	8.9
97.10162	33.1
99.00817	4.6
103.05414	3.2
105.07039	61.4
107.04958	8.3
107.08599	56.0
109.02867	10.4
109.06516	9.3
109.10166	44.2
111.08082	6.9
113.09671	3.0
117.07011	25.0
119.08597	29.9
121.06527	10.4
121.10170	33.6
123.08074	6.0
123.11729	15.3
123.28294	3.1
125.09635	24.6
128.06233	3.2
129.06981	14.0
131.08594	31.7
133.06490	4.0
133.10152	41.8
135.08052	6.2
135.11726	17.6
137.13271	6.7
143.08586	17.7
145.06364	3.3
145.10135	23.3
147.11736	20.6
149.09557	4.4
149.13254	12.9
151.11162	11.5
153.12720	5.4
155.08589	4.4
157.10107	12.3
159.11766	18.3
161.09610	12.9
161.13307	16.3
163.11153	7.4
163.14857	4.2
169.10133	7.9
171.11713	10.0
173.13258	12.3
175.11151	5.3
175.14821	6.8
179.10605	6.5
179.14320	3.6
181.12239	4.7
183.11746	6.2
185.13309	10.5
187.14790	7.3
189.09184	7.0
189.11232	14.5
189.12746	3.2
195.11699	5.0
197.13261	5.6
199.14745	6.0
223.14909	4.4
225.11269	14.4
227.12767	32.5
241.19621	3.2
243.12296	4.0
243.20979	4.0
245.49844	4.1
259.20609	3.7
261.22235	27.2
277.21695	13.2
281.13818	4.2
283.15079	3.3
287.23608	3.8
297.22333	3.4
299.15164	24.3
301.25333	7.5
315.23267	11.3
317.24872	4.3
333.24149	4.1
335.25851	20.6
341.13980	3.4
359.94617	3.4
411.32800	3.6
421.30933	8.4
435.32709	6.2
439.31689	4.9
453.33505	7.1
457.33035	4.9
467.31534	15.5
471.34625	3.7
485.32462	9.2
495.34509	5.8
501.36087	4.9
513.35736	12.8
519.36871	16.2
523.33887	3.8
527.37311	23.0
531.36676	14.5
541.35309	34.8
545.38538	23.1
556.20728	3.5
559.36273	36.9
577.24292	5.5
577.38708	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	575.6129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.05514	39.4
57.07079	71.6
65.03960	1.2
67.05506	49.4
68.05834	1.2
68.87450	1.0
69.03415	1.0
69.07071	71.3
69.27677	1.0
71.04986	1.8
71.08634	60.5
71.51075	1.6
72.10218	1.2
79.05492	9.8
81.07057	82.9
82.07376	1.8
83.08620	63.2
84.08952	1.3
85.06556	2.2
85.10185	36.6
87.04476	3.8
91.05465	6.0
93.07051	9.6
95.08611	100.0
96.08936	1.1
97.06458	1.0
97.10172	55.6
99.11745	6.6
105.07035	2.6
107.08600	4.7
109.10162	63.2
111.11728	40.4
111.12344	0.8
113.13280	2.5
119.08559	1.4
121.10133	3.1
123.10836	1.7
123.11711	26.9
125.13277	18.2
127.14877	2.4
133.10136	1.2
135.11658	1.3
137.13271	13.1
139.14861	6.8
141.16373	1.8
147.11644	1.3
149.13292	1.7
151.14841	9.1
153.16380	1.7
159.11752	1.4
163.14848	1.2
165.16415	11.0
167.17854	1.9
174.12125	1.1
177.68779	1.1
179.17960	4.3
209.91991	1.2
231.90121	1.1
235.24240	1.5
239.23981	1.4
277.28998	2.1
291.30353	2.3
319.33591	1.1
333.35181	2.1
347.36676	2.0
361.38290	3.5
482.39203	2.6
557.60364	16.7
575.41364	3.7
575.49677	20.6
575.60999	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	575.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12605	1.1
53.03942	1.8
55.01873	2.7
55.05505	4.9
57.03431	4.6
57.07063	2.0
61.02938	6.3
67.05518	8.4
67.05825	1.5
69.03424	4.7
69.07076	9.2
69.82708	6.2
71.01323	1.3
71.48592	1.0
73.02921	58.5
79.05491	10.1
81.03414	3.1
81.07064	21.0
83.05007	1.6
83.08630	6.4
85.02911	5.5
85.06535	1.5
85.56741	1.4
91.05485	13.6
93.07047	22.6
95.04975	2.8
95.08610	25.9
95.96061	1.0
97.02869	3.2
97.06524	3.5
97.10198	1.8
99.08115	6.4
103.05518	1.9
105.07036	40.9
107.04954	1.4
107.08593	27.5
109.02865	1.4
109.06503	4.0
109.10139	12.1
111.08126	2.4
113.09641	1.4
115.03938	7.1
115.05462	1.3
115.64102	1.1
117.07021	3.5
119.04963	1.3
119.08589	46.4
121.06487	2.1
121.10144	23.7
123.08073	2.4
123.11713	4.6
125.05952	2.0
128.06209	1.1
129.07005	3.5
131.08571	6.7
133.06520	13.4
133.10141	24.3
135.08090	2.0
135.11700	17.9
137.05968	3.2
137.09604	1.9
137.13258	1.8
139.11159	1.4
141.07040	1.4
143.08568	4.7
145.10120	11.4
147.04390	1.6
147.08063	5.0
147.11707	21.4
147.59332	1.0
149.09651	1.4
149.13313	6.1
151.07533	5.0
155.08508	1.3
156.09273	1.5
157.10095	4.2
159.11691	9.2
161.09579	2.9
161.13307	6.9
162.14388	1.2
163.03918	1.5
163.11205	1.8
163.14832	4.7
169.10184	1.8
171.11659	3.1
173.09625	1.1
173.13277	7.2
175.11215	1.7
175.14833	17.6
177.16391	2.7
179.14348	1.2
183.11722	3.3
185.13257	4.7
187.14835	9.8
189.16393	100.0
191.17970	44.5
193.12204	1.5
193.15857	8.0
197.13257	2.0
199.14857	4.5
201.16425	4.8
203.14342	16.9
203.18022	1.6
205.15855	2.4
207.17477	19.9
211.14789	2.8
213.16397	3.5
215.17986	1.4
217.15849	4.5
219.17409	1.7
221.13409	1.9
221.15398	19.9
227.17984	2.1
231.17422	1.6
239.16219	1.7
251.17967	1.6
255.21161	1.5
267.21179	1.4
319.24570	1.3
321.20663	3.9
335.27158	1.5
339.21677	13.0
353.19714	1.4
389.32065	2.9
407.33069	14.3
425.34167	22.4
443.35263	12.1
472.04514	1.4
557.38348	19.2
575.24829	7.2
575.39594	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3948
Annotation	Irumanolide I
Peak:m/z	Relative Intensity
53.03940	5.4
55.01870	4.6
55.05516	26.3
57.03420	7.7
57.07070	9.0
65.03924	4.7
67.05507	65.9
69.03437	20.1
69.07075	27.1
71.05002	5.8
71.08617	3.4
71.50399	2.3
73.02903	2.8
73.72906	2.3
79.05497	50.6
81.03422	21.9
81.07060	100.0
83.04967	9.6
83.08622	13.6
85.02908	18.2
85.06548	2.7
87.04474	10.3
88.11569	2.1
91.05484	52.3
93.06492	4.5
93.07048	69.7
95.04965	11.0
95.08614	79.5
97.02872	13.2
97.06546	6.8
97.10159	9.1
99.04478	3.9
103.05473	2.5
105.04511	3.6
105.07036	60.9
107.04969	4.2
107.08589	52.5
109.02877	9.4
109.06505	5.4
109.10165	55.7
111.04472	5.6
111.11664	3.0
112.47572	2.4
115.05466	3.2
117.07027	20.4
119.08581	50.6
121.06516	4.6
121.10143	34.6
123.04397	3.1
123.08079	5.3
123.11715	19.1
125.09626	5.0
127.03914	10.4
128.06219	3.5
129.05466	2.8
129.07027	17.5
130.07800	3.0
131.08572	44.7
133.10129	41.9
135.07985	3.0
135.11685	27.3
137.13232	11.7
141.07001	3.2
142.07770	4.3
143.08571	25.2
144.09325	3.0
145.10127	43.8
147.08075	4.1
147.11687	24.6
149.09624	3.7
149.13286	16.0
155.08572	8.4
156.09323	3.0
157.10118	28.5
159.11707	37.5
161.13254	17.1
163.11201	6.4
163.14864	8.5
164.55551	2.4
165.12668	2.7
165.16376	3.4
167.08598	2.9
169.10103	15.1
171.11693	22.2
173.13266	32.0
175.14803	12.7
177.16391	4.9
179.85373	2.5
181.10095	3.6
183.10307	2.8
183.11661	12.1
185.13229	20.0
187.14833	19.2
189.12845	2.8
189.16443	9.1
193.12320	2.7
195.11736	3.3
197.13304	7.7
199.14832	10.7
201.16412	14.4
203.17967	3.6
209.13223	2.6
211.14914	4.6
213.16385	9.7
215.17970	9.6
217.19572	3.0
223.14973	3.7
225.16411	5.4
227.12822	4.1
227.17989	7.7
229.14388	3.4
229.19579	8.3
239.17946	2.7
241.19595	5.8
243.21112	5.8
255.21127	4.3
257.22607	3.3
261.14899	3.9
261.22202	5.2
285.22241	4.4
297.16943	3.7
297.22272	3.9
298.97501	2.6
299.23557	3.2
313.25174	5.0
325.25180	3.7
331.26575	3.0
339.26767	2.7
353.28644	3.2
393.31714	11.3
395.33090	24.9
399.54660	2.6
411.32700	3.2
413.34140	10.5
465.32889	2.8
503.35025	5.1
517.35266	3.1
521.36420	10.0
539.37097	18.0
557.38416	73.8
575.39435	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.1
53.32207	1.1
55.05511	6.5
57.03437	5.5
57.07065	1.9
57.57571	1.1
57.88011	1.2
59.04992	1.7
59.95188	1.1
61.02927	7.6
67.05186	1.2
67.05510	7.3
69.03425	5.5
69.07072	8.0
71.50027	2.3
73.02925	62.6
79.05503	9.8
81.03414	4.5
81.07061	21.6
83.04955	2.0
83.08616	5.6
85.02905	5.5
85.06543	1.8
87.04454	1.5
91.05492	14.1
93.07041	18.4
95.04955	1.3
95.08614	28.4
97.02914	3.4
97.06535	1.9
99.08092	7.4
103.05487	2.9
105.07041	45.6
107.04951	1.5
107.08599	28.6
109.06521	3.5
109.10164	12.1
111.08090	1.8
113.09686	1.3
115.03963	6.7
115.05527	1.1
117.07022	3.6
119.04984	1.4
119.08599	43.1
121.06480	1.8
121.10157	20.3
123.08088	3.0
123.11697	7.0
125.06042	1.6
127.03910	1.9
128.06256	2.2
129.07043	2.5
131.08614	9.6
133.06525	12.3
133.10136	24.9
135.08076	3.4
135.11705	19.8
137.05971	2.1
137.13269	1.5
141.07060	1.7
143.08563	4.8
145.02695	1.3
145.10135	12.5
147.08090	6.2
147.11694	20.1
149.09636	2.2
149.13248	4.2
151.07539	5.0
155.08510	1.6
156.09389	1.5
157.10168	5.7
159.11690	6.7
161.09616	3.2
161.13263	6.6
163.11122	1.7
163.14810	3.3
169.10117	3.0
171.11684	4.7
173.09627	1.3
173.13246	7.2
175.07538	1.6
175.11188	2.4
175.14848	15.6
177.05537	1.9
177.16420	1.9
179.14490	1.7
183.11681	1.4
185.13264	4.4
187.14848	8.4
189.16403	100.0
191.17972	40.7
193.15875	6.6
197.13173	1.5
199.14854	5.5
201.16422	4.2
203.14331	21.5
207.17461	21.6
211.14923	1.9
213.16457	4.4
215.18045	2.0
217.15871	2.5
219.17400	1.7
221.15382	16.8
225.16327	1.4
227.17857	1.4
231.17375	1.3
267.21292	1.2
269.12128	1.3
285.22168	1.7
321.20627	3.8
339.21710	10.3
389.31995	2.5
407.33240	14.4
425.34134	20.2
443.35220	10.1
482.63211	1.5
506.21527	1.3
539.37042	2.5
557.38458	19.2
575.24805	7.9
575.39441	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.0
55.05521	11.1
56.96562	6.9
57.03437	4.5
57.07077	3.2
59.05035	2.3
61.02943	13.1
67.05514	15.0
69.03426	5.4
69.07074	13.5
69.69142	2.2
70.55592	6.1
73.02928	100.0
75.58469	2.3
79.05501	15.8
81.03418	5.8
81.07066	33.6
82.91938	2.0
83.08622	15.8
85.02913	4.2
85.06541	3.5
85.69115	2.3
91.05491	20.3
93.07056	35.8
95.04975	4.5
95.08620	47.1
97.02894	4.5
97.10152	2.9
99.08123	14.7
105.07049	53.6
106.07341	2.8
107.08614	55.5
109.06539	5.6
109.10170	22.2
111.08103	4.1
115.03939	10.5
117.07030	5.5
119.08599	71.1
119.92917	2.3
120.08943	2.4
121.09351	2.9
121.10169	34.5
123.11723	11.1
128.06186	3.3
129.07010	6.1
129.09105	7.2
131.08580	25.1
133.06519	7.9
133.10147	35.6
135.08038	4.3
135.11699	27.0
137.09595	2.4
137.13293	5.6
142.07805	2.9
143.08557	10.5
145.10149	22.2
147.08133	3.5
147.11713	26.4
148.66669	2.2
149.09625	3.5
149.13322	10.7
155.08545	4.7
157.10139	12.8
157.11317	2.2
159.11703	16.2
161.09671	4.5
161.13272	19.0
163.14847	9.3
165.12767	2.3
169.10135	5.1
171.11716	9.4
173.09561	2.9
173.13286	20.7
175.14828	21.6
177.16391	6.5
179.14287	3.7
181.85873	2.3
183.11674	7.3
185.13319	16.9
187.11093	2.8
187.14809	16.5
189.16405	86.5
190.16794	8.2
191.18015	47.4
192.18413	4.1
193.15901	3.8
197.13321	6.2
199.14911	19.0
201.16420	9.7
203.14354	30.9
203.17958	4.6
207.17564	17.9
209.18054	2.5
211.14848	6.3
213.16376	10.5
215.17979	6.5
217.15860	7.6
219.13834	2.9
219.17487	3.9
220.14264	2.8
221.15465	10.9
225.16367	3.7
227.17929	5.9
233.19104	2.6
239.17874	2.4
253.19420	6.6
271.20554	3.7
279.21088	2.6
285.22131	3.6
339.21817	13.0
343.11505	2.4
353.28018	2.6
389.31921	9.1
407.33118	51.3
425.34082	20.4
443.34802	4.9
539.36987	6.0
557.38507	75.4
575.18207	4.6
575.31885	12.8
575.39264	37.0
585.70496	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3946
Annotation	Irumanolide I
Peak:m/z	Relative Intensity
53.03931	5.5
55.01879	3.2
55.05498	9.7
57.03423	8.2
57.07065	5.1
61.02924	12.3
65.03938	4.1
67.05500	14.8
69.03412	9.6
69.07075	17.7
71.01364	2.2
71.20270	3.9
71.20584	2.7
73.02522	5.2
73.02921	100.0
79.05492	17.5
81.07054	37.4
83.08606	10.0
85.02878	7.2
85.06546	6.2
91.05489	23.3
93.06494	2.9
93.07044	40.3
95.04969	4.6
95.08605	46.7
97.02886	2.5
97.10146	3.7
99.08100	24.8
102.82820	2.1
105.06314	3.7
105.07034	63.8
107.08602	53.7
109.02863	2.1
109.06551	2.5
109.10177	24.3
110.88641	2.0
111.08130	2.6
115.03939	12.8
117.07008	5.9
119.08584	59.6
121.10153	34.5
123.11719	25.3
127.07533	2.8
129.06960	5.8
131.08572	23.2
133.06482	8.5
133.10135	32.7
135.08130	4.0
135.11702	30.4
137.09622	3.9
137.13277	5.2
142.07773	3.9
143.08528	11.3
145.10132	26.0
147.08089	4.0
147.11691	34.6
149.09616	5.9
149.13272	12.1
151.11069	2.7
153.12732	4.7
155.08507	3.2
156.09334	3.4
157.10162	15.6
159.11702	20.6
161.09560	3.7
161.13278	15.6
163.03984	2.6
163.14789	6.8
167.06961	2.8
169.10207	5.7
171.11766	11.6
173.13268	23.7
175.11130	3.5
175.14799	21.4
177.12724	2.9
177.16492	3.9
179.14278	4.5
182.10812	3.0
183.11708	5.0
185.13226	12.1
187.14780	11.9
189.16399	93.2
191.17946	52.9
193.15907	3.4
197.13333	3.8
199.14806	15.9
201.16428	13.8
203.14355	20.1
203.18001	3.7
207.17392	16.3
211.14864	5.8
213.16341	10.6
215.17903	8.2
217.15887	10.7
217.19519	6.5
221.15344	7.0
223.14886	3.1
225.16428	5.4
227.17926	5.0
229.19658	3.4
235.17123	3.1
237.16269	3.3
239.18077	3.9
253.19365	2.9
267.21036	3.1
271.20691	4.4
335.27393	4.5
339.21729	11.3
389.31827	10.4
407.33130	52.4
408.33188	2.6
425.34195	22.2
463.53342	2.6
539.36963	4.4
557.29742	4.3
557.38397	68.7
575.31384	4.9
575.39453	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3945
Annotation	Irumanolide I
Peak:m/z	Relative Intensity
53.03939	1.1
55.01873	1.6
55.05513	7.1
57.03444	5.0
61.02927	5.7
62.16568	0.9
67.05505	10.1
69.03432	3.0
69.07077	4.9
71.01356	1.3
71.04996	1.2
71.50719	1.4
73.02918	50.0
79.05495	8.0
81.03417	2.2
81.07053	14.4
83.05005	0.9
83.08618	5.3
85.02906	3.6
85.06531	1.1
90.64842	0.9
91.05482	10.7
93.07043	18.7
95.04966	4.0
95.08612	29.7
97.02894	2.2
97.06519	1.6
97.10172	1.8
99.08095	7.6
105.07036	15.5
107.05002	1.4
107.08596	22.8
109.06527	2.6
109.10162	13.5
111.08076	8.3
115.03933	4.1
117.07014	2.6
119.08582	18.9
121.06498	1.7
121.10144	20.5
123.08084	2.6
123.11701	4.0
125.09600	1.0
128.06252	1.0
129.06990	1.4
131.08563	7.4
133.06496	1.3
133.10120	13.3
135.08066	2.8
135.11685	15.6
137.09625	2.2
143.08571	4.3
145.10136	11.1
147.08006	4.8
147.11687	8.8
149.09618	2.8
149.13255	4.8
150.03348	1.1
151.11174	1.5
155.08504	1.4
156.09410	1.1
157.10141	5.2
159.11699	7.3
161.09630	2.9
161.13252	8.7
163.11215	5.0
163.14830	8.2
165.63226	0.8
169.10156	1.5
171.11667	5.2
173.13226	7.2
173.91902	0.8
175.11195	2.6
175.14792	9.5
177.16437	2.4
183.11691	3.3
185.13255	3.0
187.14809	6.5
189.12738	3.2
189.16371	13.1
191.14330	1.2
191.17937	12.5
193.15897	1.3
196.67445	1.1
197.13272	2.6
199.14795	6.3
201.12782	1.1
201.16370	7.2
203.14287	6.3
203.17906	6.7
205.15884	8.2
211.15063	1.0
213.16434	2.4
215.17969	3.2
217.15889	30.2
217.19342	1.2
219.17403	5.8
220.15215	0.9
227.17909	1.2
229.19530	1.2
231.17412	1.2
235.16957	8.1
239.17902	1.1
241.19458	1.8
243.17661	1.0
245.18980	1.9
253.19513	1.2
257.18967	1.2
259.20618	1.4
263.20020	1.4
267.20764	0.9
275.19922	2.0
291.19620	1.9
293.22662	1.0
297.22183	1.4
299.15070	0.9
299.23645	1.5
311.23438	1.5
313.25168	1.1
389.32022	2.6
407.33081	33.5
425.34177	17.1
525.35052	1.1
539.37103	1.5
549.73785	1.0
557.38422	100.0
575.39716	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
53.89052	2.8
55.01866	13.0
55.05515	46.7
56.87988	3.0
57.03431	9.1
57.07083	4.6
59.04999	4.5
65.03938	4.6
67.05510	100.0
69.03433	5.4
69.06804	2.5
69.07076	31.4
71.04988	17.2
71.50636	3.7
73.02926	3.2
77.03925	3.6
79.05493	65.4
81.03416	18.2
81.07061	76.0
83.04977	11.2
83.08634	23.0
85.02896	8.3
85.06535	8.3
91.05491	70.9
93.07046	71.8
95.04957	15.4
95.08612	62.8
97.06532	9.7
97.10180	25.2
97.34551	2.7
99.08086	9.6
103.26637	2.7
105.07029	64.2
107.04958	9.0
107.08614	38.2
109.06513	7.0
109.10164	31.5
111.04388	4.0
111.08080	9.4
115.05441	6.1
117.07021	29.2
119.08595	45.4
121.06511	6.3
121.10159	33.3
123.08095	6.7
123.11685	5.8
125.09631	21.4
128.06201	7.1
129.07018	22.9
131.08568	45.9
133.06493	6.9
133.10121	36.0
135.08029	9.5
135.11705	14.6
137.09645	6.1
141.06966	8.1
142.07784	6.2
143.08594	24.3
145.10133	36.7
147.08057	8.4
147.11691	17.6
149.09650	8.1
149.13234	4.2
151.11209	7.7
155.08601	14.8
157.10141	21.9
159.08075	4.7
159.11703	30.2
161.09608	5.6
161.13249	11.5
163.11214	7.1
165.31082	3.3
167.08545	5.3
169.10101	16.6
170.33058	2.8
171.11661	17.9
173.09708	4.2
173.13257	19.5
175.11140	11.1
175.14859	3.6
177.12808	5.1
179.08542	3.2
181.10126	11.0
183.11649	13.5
184.12144	3.4
185.13292	13.5
187.11232	3.8
187.14795	6.7
189.11197	7.9
189.12708	4.6
189.16554	3.3
193.10272	4.0
193.12219	12.1
195.11710	7.0
197.13353	5.1
199.11229	4.5
199.13116	3.8
199.14903	6.3
203.14297	3.4
209.13283	5.7
211.13266	11.6
211.14960	4.1
213.12708	4.3
217.15999	3.7
221.13425	4.5
223.13141	4.3
225.16350	4.1
227.12666	14.9
243.23575	3.3
259.20734	4.4
267.15909	4.2
273.18481	13.9
275.20132	3.9
283.20612	2.9
285.22125	6.9
287.19989	4.3
291.19382	17.4
299.23727	9.5
301.21558	3.6
313.21414	3.2
339.22949	3.3
347.22052	3.9
365.23456	4.2
415.29868	6.6
421.25647	6.2
433.30981	16.2
451.32162	15.0
469.33325	8.2
499.33731	6.2
507.35147	6.4
517.35168	24.7
525.35846	57.4
543.36926	54.7
557.39008	22.5
566.14972	3.4
575.38452	41.7
575.49756	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	575.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82309	1.7
53.03932	7.2
53.90050	1.8
55.01877	16.8
55.05519	47.9
55.05920	2.3
57.03437	11.0
59.05004	2.7
61.02902	3.9
63.57082	1.8
64.98187	2.0
65.03925	3.4
67.05511	57.4
69.03443	12.7
69.07074	41.2
70.15260	4.8
70.15674	6.6
71.01308	2.3
71.04967	7.9
73.02928	29.3
79.05500	61.2
81.02950	2.0
81.03423	44.6
81.06618	3.8
81.07063	67.4
83.05003	14.7
83.08625	27.0
85.02912	17.3
85.06531	4.8
86.66931	1.8
91.05489	58.7
93.07056	55.0
95.04980	25.8
95.08615	40.5
97.02872	12.2
97.06553	13.0
97.09658	2.2
97.10178	25.6
99.08110	9.8
103.05450	3.4
105.07038	55.4
107.04964	17.9
107.08601	39.7
109.06508	9.7
109.10168	20.1
111.04401	4.0
111.08109	12.8
113.05955	2.7
115.03901	2.1
115.05443	4.1
117.07027	14.5
119.04891	2.4
119.08595	52.6
121.06482	8.2
121.10152	25.9
123.08082	14.4
123.11671	8.3
125.09631	19.5
128.06189	3.4
129.07001	13.9
131.08562	29.0
133.06439	7.3
133.10150	26.8
135.08063	10.2
135.11696	14.2
137.05945	2.2
137.09541	7.1
142.07735	4.5
143.08594	11.3
145.06425	2.7
145.10150	24.9
147.08040	13.4
147.11720	28.4
149.09636	12.3
149.13214	5.9
151.11092	4.2
153.09082	3.2
155.08539	4.0
155.22984	1.8
157.10129	17.1
159.11684	9.8
161.09608	7.2
161.13234	5.7
163.11197	13.7
165.09068	5.8
165.10522	2.1
165.12720	6.6
168.62506	2.0
169.10085	5.7
171.10191	3.5
171.11626	9.5
173.09634	3.1
173.13214	8.2
175.11263	10.8
175.14818	7.7
177.12730	2.9
179.14348	2.0
181.10005	2.4
183.11639	3.5
185.13210	7.8
187.14789	7.7
189.11226	15.2
189.12660	3.1
189.14873	2.7
189.16412	27.3
191.17970	15.3
193.12276	29.3
195.13734	3.7
197.13106	2.8
199.14848	4.6
203.14250	8.4
203.17931	2.4
205.12108	2.3
207.17439	4.4
209.11623	3.4
211.13289	36.1
213.16423	2.3
217.15793	3.7
219.13698	6.3
221.15474	2.9
223.13275	14.9
227.12762	14.3
235.16869	4.3
245.18901	3.3
249.14728	4.1
257.19049	3.0
263.20038	2.9
267.15961	20.0
273.18512	30.0
275.20157	15.3
283.15286	7.9
283.23801	2.4
285.16940	3.0
291.19559	100.0
309.20419	3.0
313.21381	3.8
339.21506	3.5
347.22159	5.0
349.23318	5.7
365.22983	8.2
365.27280	2.6
389.26743	2.4
407.33093	10.9
425.33911	7.3
443.34909	4.6
447.28119	3.3
465.29581	4.0
483.30649	3.1
526.83673	2.3
529.34882	2.1
539.32941	5.8
557.34210	34.2
575.35583	80.8
576.36176	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	573.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83059	5.3
55.05504	23.9
57.07080	34.0
67.05511	45.7
69.07063	17.9
71.08623	26.4
71.50328	8.0
76.72358	5.9
79.05494	33.5
79.71873	5.4
81.07059	62.7
83.08611	24.1
85.10162	18.4
87.04487	9.4
91.05477	24.0
93.07050	30.5
95.05007	6.4
95.08629	47.2
97.10204	13.6
105.07030	12.7
107.08611	16.9
109.10166	18.4
117.07051	6.2
119.08576	11.4
121.10144	20.5
123.11667	10.7
131.08589	9.3
133.10175	7.3
135.11691	15.6
137.74544	5.7
145.10178	6.6
149.13171	6.8
171.62155	5.5
201.40100	5.7
261.22159	5.9
313.27133	5.8
317.24698	8.2
567.91229	7.9
573.48578	100.0
593.38647	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	574.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83572	5.1
69.07073	8.7
70.21474	10.9
70.21862	11.5
76.10947	6.0
79.05510	7.2
81.03436	6.1
91.05483	13.3
92.75989	5.4
99.83487	5.5
103.05469	8.9
105.06998	9.6
107.04971	23.3
107.08589	9.3
115.05476	6.5
118.17870	6.2
119.04955	11.0
121.06486	9.1
131.04919	7.0
137.05997	98.7
147.04361	12.2
149.05997	6.3
151.07538	25.0
161.05998	100.0
161.09625	26.1
163.07535	24.8
168.40413	6.1
175.07545	20.7
177.05562	8.8
178.07497	6.1
181.08640	6.5
189.09111	50.5
195.08076	6.2
195.10193	13.7
204.07741	9.7
207.10161	93.5
219.08124	9.2
219.10229	16.1
237.09096	9.1
249.09123	10.2
253.08585	7.7
253.39877	5.4
259.09543	10.9
265.08597	10.5
267.10132	7.0
277.08554	11.8
285.11185	11.9
297.11221	23.2
309.11053	8.6
311.12845	14.2
313.14194	6.6
321.11337	12.1
322.12155	9.6
327.12274	7.8
329.13843	11.4
331.15482	16.4
340.13068	7.6
341.13797	7.5
355.15363	7.7
367.15402	8.3
458.65259	5.1
479.20660	14.8
491.20773	7.0
574.23279	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	573.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01868	0.9
55.05505	3.1
57.03429	3.3
57.07064	0.8
59.04993	0.9
61.02919	3.4
65.03937	1.1
67.05512	5.5
69.03418	2.7
69.07073	4.9
69.23354	5.0
69.23773	2.1
71.01353	0.9
73.02921	39.0
79.05499	5.3
81.03425	3.8
81.07060	10.4
83.04947	1.1
83.08618	2.4
85.02895	3.3
91.05487	9.6
93.07050	10.0
95.04972	2.8
95.05541	0.8
95.08069	1.3
95.08619	16.3
97.02903	1.2
97.06539	1.4
97.10151	1.2
98.21464	1.4
99.08108	4.3
103.05441	1.7
103.35085	0.8
105.07034	23.6
107.04973	1.4
107.08598	14.1
109.02852	1.0
109.06502	2.2
109.10153	7.6
111.08042	1.1
115.03951	3.5
115.05439	0.9
117.07046	3.8
119.08589	32.4
121.06537	1.5
121.10143	10.8
123.08050	1.7
123.11742	2.2
125.06006	2.7
129.06966	1.0
131.04947	5.5
131.08566	13.7
133.06525	1.2
133.09128	1.4
133.10132	19.3
135.07941	1.1
135.11699	11.6
139.03897	1.2
142.07800	1.5
143.08559	2.6
145.06470	1.1
145.10144	7.3
147.04347	0.9
147.08043	4.5
147.11694	14.0
149.05981	12.7
149.13284	4.3
151.11136	1.2
155.08611	1.6
157.10141	3.6
159.08104	1.2
159.11697	4.0
160.12473	1.2
161.09583	2.0
161.13275	3.2
163.11336	0.9
163.14810	2.6
165.16862	0.8
169.10045	1.0
171.11734	2.0
173.05933	1.9
173.09705	0.9
173.13263	11.6
175.11235	2.4
175.14828	2.4
177.05389	0.9
185.13255	2.7
187.14848	4.4
189.16391	100.0
191.14319	1.3
191.17957	37.5
193.12245	1.0
197.13258	1.7
199.14824	1.3
201.12744	6.2
201.16295	1.3
207.17450	18.5
211.13246	1.1
213.16296	1.4
215.14296	0.9
215.18019	1.3
217.15948	1.6
219.13802	21.8
225.16472	1.1
229.15994	1.4
233.15355	1.5
237.14856	2.0
271.13214	1.3
289.14386	1.6
318.69962	0.8
321.20740	3.1
339.21689	11.0
405.31747	4.2
423.32556	13.1
441.33603	7.9
573.30103	5.4
573.37659	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	572.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76934	8.5
68.60869	8.2
69.03428	12.5
71.48985	9.0
73.85337	7.5
81.59101	8.0
85.02905	17.0
91.05464	10.7
95.04884	7.9
97.02895	9.7
105.03401	9.1
105.07061	9.8
107.04967	31.9
109.02889	17.1
121.02901	22.8
123.04451	8.7
125.02367	22.2
131.04955	11.6
133.06401	9.8
135.08183	9.0
137.05995	29.6
143.03360	11.3
147.04433	16.4
151.03896	15.1
153.01830	39.3
163.07527	45.4
167.07039	100.0
177.05391	7.4
179.07071	21.8
181.08624	19.4
193.08687	11.7
195.08565	7.7
195.10193	34.9
211.09662	17.5
213.11273	87.6
270.13193	8.2
287.05554	42.7
288.06079	8.6
320.74927	8.7
572.37561	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	572.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34380	6.2
57.34119	5.9
62.95104	5.8
69.20451	68.2
69.82740	6.1
71.04968	7.3
79.05508	6.9
79.07484	6.3
82.66019	6.2
85.02873	8.2
91.05441	11.2
91.40186	5.9
92.35034	7.2
105.06976	8.4
107.04959	44.0
114.06985	6.6
119.04978	6.6
133.06454	8.8
135.08037	12.9
137.05989	18.4
147.04482	11.7
151.07564	10.1
163.07550	58.6
167.07051	82.3
177.05434	8.3
179.07014	14.1
181.08528	17.6
193.08559	9.8
195.10204	22.4
211.09674	16.9
213.11240	100.0
217.08595	6.6
259.09619	7.0
307.11853	12.1
418.00787	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	573.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01639	1.0
55.01872	5.3
55.05508	4.4
57.03437	3.8
57.07080	4.2
61.02930	2.9
67.05518	5.7
69.03436	2.6
69.07066	4.4
70.56695	3.0
71.01373	1.2
73.02921	30.9
79.05502	4.8
79.41981	0.7
81.07060	10.3
83.04964	1.2
83.08624	3.3
85.02928	3.1
85.06544	4.2
85.09214	0.8
91.05473	6.2
93.07050	12.8
95.04975	2.8
95.08603	14.6
95.09169	1.0
97.02893	1.8
97.06553	2.8
97.10193	1.7
99.08098	74.7
105.07030	11.3
107.08610	16.0
109.06528	1.2
109.10153	8.5
111.08114	2.2
111.11736	1.2
115.03944	3.6
117.07051	3.1
119.08582	17.3
121.10144	9.3
123.08071	1.0
123.11736	3.9
125.09654	1.0
127.07558	39.3
128.38689	0.9
129.07034	1.3
131.08572	6.4
133.10135	12.8
135.08055	2.4
135.11699	9.7
137.13319	1.0
142.07794	1.2
143.08574	2.7
145.06432	1.1
145.10117	7.8
147.08012	4.6
147.11693	7.8
149.09650	2.4
149.13290	3.1
151.11188	1.3
155.08543	1.1
156.09338	1.2
157.10146	3.2
158.10861	1.0
159.08098	1.2
159.11694	7.3
161.09653	3.4
161.13220	4.8
163.11240	1.2
169.10139	2.3
171.11751	3.3
173.09691	0.9
173.13235	6.0
175.11235	2.3
175.14784	4.6
177.12744	1.3
183.11743	2.8
185.09615	1.0
185.13312	3.0
187.14812	5.3
189.12741	1.5
189.16371	10.8
191.17926	5.7
195.11665	1.1
197.13303	3.1
199.14888	3.3
201.12781	7.5
201.16418	5.5
203.14351	1.7
203.17981	4.9
207.17390	1.7
209.13524	0.9
213.16417	2.0
215.14325	2.0
217.16043	1.6
219.13805	1.9
221.15480	1.0
225.97075	1.1
227.17870	1.5
229.15945	1.3
233.15443	1.8
235.16843	1.1
239.17960	1.1
241.10733	1.4
283.20673	1.3
287.20032	1.0
297.25726	4.9
333.25949	1.2
351.27057	3.5
360.84351	1.0
405.31451	6.6
423.32657	16.0
441.33725	2.9
443.18323	0.9
493.34885	1.0
501.32062	6.5
555.36835	2.9
573.37939	100.0
574.38348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65746	0.7
56.96558	4.2
57.03421	0.9
69.03422	2.4
69.79546	3.6
70.98123	0.7
70.99846	0.8
81.01328	0.7
81.03430	1.2
82.74466	0.9
82.99890	2.5
84.96047	1.8
85.02905	2.7
86.99313	0.9
87.46516	0.7
97.02901	2.1
98.20842	1.3
98.97598	10.3
101.00878	14.0
101.01501	1.0
109.02866	1.7
110.97587	4.0
112.99166	0.9
113.00854	5.4
115.02422	1.9
116.98633	2.7
119.01928	16.1
127.00749	0.8
127.02441	4.0
127.03922	1.0
128.98639	4.2
129.04007	1.3
131.00200	0.9
131.01913	8.1
133.03494	4.7
137.00822	1.1
137.02943	1.0
138.57494	0.7
139.02414	2.0
140.98688	0.9
143.00217	1.9
143.01900	30.4
145.03484	13.2
147.01390	1.9
153.03990	1.1
155.01903	19.5
157.03484	7.7
158.99693	2.2
161.02965	21.9
167.01906	14.2
168.99843	3.6
169.03497	4.9
170.99699	1.9
171.01317	1.8
171.05104	3.7
173.01416	1.4
173.02977	20.5
173.04414	0.7
175.04526	1.2
177.00800	1.1
179.01884	6.5
180.99844	1.2
181.03450	1.1
183.01344	0.8
185.02966	41.6
186.03043	1.0
187.00925	2.0
187.02881	1.4
187.04475	4.9
189.00729	2.1
189.02402	2.1
191.02371	1.0
191.04051	1.6
197.02971	15.2
199.00890	2.1
199.04475	1.3
201.00771	1.7
201.02435	2.9
201.04170	1.0
203.02356	1.1
203.04019	12.6
203.07497	0.9
205.03735	1.0
209.03012	2.0
215.00471	3.2
215.03996	9.2
217.01913	2.9
219.01747	5.4
219.03503	1.6
221.03149	1.3
221.05075	3.8
225.02501	0.9
226.98358	1.9
227.04012	11.0
229.01945	1.9
231.03532	4.0
233.05214	1.1
237.02849	4.0
239.04100	1.7
240.99799	3.4
241.02007	1.6
243.03650	1.0
245.05098	100.0
246.05327	2.4
247.03043	4.6
250.98209	1.3
251.04332	1.2
253.01941	1.2
257.05066	6.3
259.03067	2.0
262.95969	0.9
263.06168	10.8
268.99292	2.6
271.02991	2.9
275.02521	3.5
275.06125	15.7
277.03568	1.5
279.03793	1.4
289.04065	13.1
289.07153	0.9
293.07224	3.4
301.04144	4.2
302.97852	1.0
303.01318	1.6
303.05643	1.5
305.07251	9.8
307.05154	7.9
315.05481	1.3
319.05252	4.9
319.08533	1.3
321.06738	1.0
331.05032	2.7
333.06818	1.1
335.08240	4.8
349.06299	8.1
351.06079	1.0
354.99637	1.0
359.04514	3.6
361.05994	2.3
365.09372	17.7
377.05756	4.1
379.07089	1.8
391.07001	4.5
399.08688	1.0
409.08289	2.9
436.04297	1.0
451.01559	1.2
469.02603	2.8
469.10275	1.2
487.03497	1.1
511.04047	1.4
511.11371	2.7
539.11090	5.4
571.13544	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1085
Annotation	Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
55.01880	1.0
69.03434	8.1
70.64976	1.6
70.65313	1.7
77.34873	0.9
79.01859	3.5
79.05525	0.8
80.65988	0.8
81.03421	0.9
85.02921	1.7
87.64829	0.8
91.05515	1.5
93.60901	1.0
97.02899	16.7
108.44935	0.9
113.52904	0.9
115.03928	4.2
119.04954	1.4
121.02854	1.6
125.02390	2.1
131.04933	1.0
137.02260	0.9
137.05966	1.4
137.74171	0.9
143.03413	4.4
147.04388	4.0
151.03918	2.3
153.01842	100.0
153.02914	5.2
159.04442	2.8
163.03909	1.9
165.05478	1.2
175.03925	2.3
177.05490	2.9
179.03426	6.0
193.05019	2.0
203.03447	1.0
205.04967	13.8
207.02921	12.2
221.04498	5.0
231.02940	4.2
237.04008	1.5
249.03986	8.5
267.05011	24.1
285.06033	6.7
287.05536	29.0
311.05402	2.7
329.06552	3.1
401.08545	1.5
401.37204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.5
51.02378	1.4
53.00307	0.3
53.03951	2.7
53.44751	0.2
55.01858	0.5
61.07299	0.2
65.72196	0.3
67.05507	0.3
69.57194	1.6
77.03935	0.5
79.01859	5.6
81.03431	1.4
81.07053	0.4
82.73306	0.3
91.05476	0.3
95.04971	2.5
95.08617	0.3
97.02898	1.3
98.20805	0.4
105.03397	42.8
105.04537	1.8
107.01328	1.4
109.02895	1.8
125.02352	3.3
127.03950	2.3
135.04390	0.3
137.06017	0.4
143.03398	5.9
147.04425	0.6
153.01839	100.0
153.02905	5.9
163.03918	2.1
165.05470	1.6
167.06961	0.6
177.05420	0.3
191.03378	4.2
191.97968	0.3
200.35867	0.3
205.04977	0.5
207.03006	0.6
209.04393	1.2
215.03371	0.3
219.02940	1.2
221.04425	0.6
231.06522	2.4
233.04401	1.0
237.03951	10.6
243.03073	0.3
247.13222	0.3
249.07629	0.5
261.03949	1.6
271.06125	0.5
279.05005	1.1
303.04849	0.3
304.05353	0.3
305.05493	0.3
308.77637	0.3
401.08749	0.5
508.76135	0.3
571.21356	7.0
571.29822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39196	1.4
69.03419	1.9
69.07044	1.3
70.55289	3.1
70.55643	3.0
78.03442	3.8
79.05477	2.3
80.43995	1.5
81.03419	3.8
85.02895	5.8
91.05489	7.0
93.07040	2.8
97.02888	2.9
103.05422	1.6
105.07034	4.1
106.02911	9.6
107.04945	8.4
109.02898	2.0
117.06976	1.5
121.06528	4.5
123.04414	3.5
124.03969	17.8
129.07005	4.7
131.04927	3.1
131.08565	3.0
133.06525	2.2
137.05997	7.8
145.06580	2.4
147.04425	2.0
149.05991	2.0
151.07532	6.0
153.05415	1.8
157.06540	3.8
161.06001	11.0
161.09566	2.7
163.07521	7.1
165.09155	3.9
166.06253	3.0
167.07051	23.7
174.06792	3.1
175.07585	2.6
177.09055	1.7
181.08595	25.9
185.07253	1.4
189.09120	17.3
191.06981	2.5
191.24451	1.3
191.37970	1.4
193.08632	2.2
195.08089	3.4
197.09618	1.8
203.06845	2.2
207.10202	6.4
219.08109	2.2
219.64354	1.5
223.07611	2.6
224.08257	1.7
225.09126	3.7
227.07112	1.6
253.08617	4.9
254.09146	1.9
257.11661	3.1
268.08160	18.0
269.07898	2.1
279.10168	1.8
283.09732	3.6
283.13196	3.1
285.11166	6.8
303.05035	23.4
311.12891	2.9
315.12183	5.3
317.13980	6.6
329.13547	1.6
331.15332	2.1
343.15442	10.9
361.16464	100.0
362.16605	2.0
373.16489	2.0
433.66821	1.8
551.77362	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65519	2.5
53.03932	3.0
55.01867	4.5
55.05508	4.4
57.03431	6.4
58.78346	2.6
67.05517	17.2
69.03435	28.7
69.07071	7.5
69.80465	9.9
69.80886	5.3
71.04976	4.2
79.05503	12.7
80.75338	2.8
81.03426	27.6
81.07062	56.5
83.04988	6.1
83.08611	3.6
85.02448	3.1
85.02922	38.8
91.05492	22.0
93.07054	10.3
95.08609	7.8
97.02921	15.3
97.06525	5.2
99.04482	5.6
103.05452	2.9
105.07034	25.6
106.07486	3.0
107.04963	4.7
107.08594	10.2
109.02885	17.6
109.06557	5.7
109.66876	2.9
113.06062	2.9
113.22718	3.3
119.08599	24.6
121.10146	21.0
122.39380	3.0
123.08115	4.4
123.11711	26.0
127.03931	40.3
127.07533	3.7
131.04979	9.5
133.10144	3.8
137.06000	3.5
137.13242	3.2
145.04962	8.7
147.04385	2.8
147.11696	87.0
153.01828	12.4
163.03951	3.2
163.07568	5.6
165.12766	47.5
167.07071	9.4
175.11198	3.7
180.08755	3.1
183.13832	13.9
193.12259	14.0
211.13295	7.9
215.31697	2.9
229.14378	100.0
245.23219	2.8
253.62793	3.5
287.05429	3.2
319.15439	10.2
337.16446	63.5
355.17551	59.5
373.18701	20.3
470.08209	3.0
471.76178	2.7
472.53043	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	570.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01883	1.9
57.03442	2.7
61.02921	6.7
65.03946	2.6
65.04615	1.4
65.79063	1.4
69.03442	13.1
69.80047	9.4
71.04975	1.7
73.02911	2.0
79.05523	2.7
81.03413	5.4
81.07066	2.2
82.03800	1.4
85.02914	72.6
91.03976	3.7
91.05491	100.0
92.05809	1.5
96.90253	1.4
97.02921	18.0
99.04440	3.4
99.08109	6.1
105.07023	2.2
107.04966	66.5
107.08602	2.0
109.02893	5.6
119.08529	1.6
121.02858	2.5
124.60619	1.5
124.61510	1.6
127.03928	13.3
135.11723	1.5
137.05963	2.4
145.04984	29.6
151.03947	3.3
163.03940	3.6
163.06020	10.4
167.07126	2.3
184.07335	5.7
188.25465	1.7
193.15881	4.2
216.73434	1.8
229.08612	3.3
259.09842	1.8
267.70154	1.5
294.13144	1.6
307.66495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23041	1.6
53.03950	8.3
55.01866	2.3
55.05516	20.3
57.03446	4.0
57.07072	6.3
65.03944	4.5
66.00310	1.7
67.05508	63.8
69.03439	3.9
69.07069	16.1
69.26952	13.9
70.06579	3.5
71.08622	2.2
79.05493	52.5
79.05922	3.5
81.03440	2.6
81.07059	55.4
82.05486	1.7
83.04984	4.2
83.08618	8.7
88.07644	3.4
91.05484	58.1
93.07045	65.7
94.07367	2.1
95.04973	7.6
95.08610	45.2
96.08938	2.2
97.06546	4.0
97.10158	3.6
102.09196	2.2
103.05516	2.2
105.04555	1.7
105.07033	29.9
107.04944	2.3
107.08591	33.7
109.06541	3.4
109.10157	16.3
111.08080	2.4
114.85493	1.9
117.07003	14.9
119.08575	25.6
121.10143	35.6
121.10941	2.7
122.97605	1.9
123.11733	4.9
129.07027	6.4
131.08568	26.8
133.10124	16.9
134.06003	1.8
135.08064	3.1
135.11714	9.4
141.06955	1.9
143.08575	9.6
144.67065	1.7
145.10136	16.4
147.11734	8.5
149.13263	4.9
153.09192	1.8
155.08559	3.4
157.10124	8.2
159.11772	6.5
161.13295	5.2
169.10121	4.4
171.11707	7.5
173.13327	4.9
175.14897	3.6
181.10129	2.1
183.11752	4.2
185.13242	4.2
187.14923	3.9
189.16435	6.0
195.11699	2.4
197.13370	3.7
198.85753	1.7
199.14824	6.6
211.14867	2.6
217.15982	5.1
235.16844	8.3
260.74921	1.9
261.22183	2.7
285.29706	2.8
291.19531	2.5
311.29691	4.2
312.29657	2.1
335.25757	4.1
460.54962	1.9
465.35464	2.1
477.37415	3.2
495.38007	2.0
513.38623	1.9
551.40936	5.3
564.07043	1.9
568.56946	3.4
569.42023	100.0
569.55872	17.3
570.42401	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.384
Annotation	Integracin C
Peak:m/z	Relative Intensity
53.00297	1.2
53.03949	7.4
55.01872	6.2
55.05515	18.4
56.96618	1.3
57.03439	3.6
57.07072	2.2
65.03932	5.5
67.05508	51.0
67.91345	1.2
69.03416	2.1
69.07071	12.8
69.39609	2.0
69.40010	9.3
71.01349	2.2
71.04977	2.7
79.05495	54.2
81.03426	13.8
81.07056	44.6
81.07536	1.8
83.04977	4.9
83.08629	10.6
85.06535	2.4
87.49791	1.4
91.05483	42.7
93.07047	50.0
95.04971	44.9
95.05575	2.4
95.08610	28.8
97.06537	4.9
97.10167	9.0
99.08064	1.4
103.05475	4.0
105.07032	24.8
107.04956	6.8
107.08595	24.6
109.02885	4.4
109.06519	4.8
109.10172	12.3
111.04454	1.4
111.08080	2.9
115.05464	2.0
117.07018	17.8
119.05006	1.3
119.08586	21.2
121.06526	6.9
121.10155	18.9
123.04429	30.0
123.08067	3.0
123.11707	3.5
125.09638	4.8
128.06175	2.6
129.07008	8.8
130.07744	1.9
131.04901	2.5
131.08560	18.2
133.10135	10.2
135.08073	2.9
135.11696	17.8
137.05917	1.5
141.06981	2.0
142.07753	2.2
143.08571	10.3
145.06567	6.2
145.10130	16.5
147.08055	6.8
147.11700	8.0
149.09645	2.1
149.13278	3.4
153.09070	3.5
155.08585	5.9
157.10124	6.9
159.11674	7.6
160.11195	3.3
161.13286	3.1
163.11168	13.3
163.14771	1.2
165.12825	1.4
167.08606	1.6
169.10135	4.9
171.08122	2.1
171.10423	1.4
171.11641	7.3
173.08308	1.4
173.09634	5.8
173.13257	3.6
175.14738	2.1
178.12276	1.6
181.10072	1.4
183.08080	1.9
183.11708	5.1
185.09601	1.9
185.13286	2.9
187.14786	1.6
189.11224	2.9
189.12744	5.3
191.10605	2.8
195.11633	2.2
197.09447	1.5
197.13240	1.7
199.11176	1.8
199.14799	3.2
201.16432	1.4
207.11902	1.6
207.13774	6.3
209.13335	2.8
211.14978	1.5
217.12172	6.1
221.13252	1.5
235.13284	40.5
258.08835	2.2
261.22217	4.2
271.20795	1.4
291.15894	1.6
309.21939	1.4
325.25204	3.7
385.78870	1.4
428.04544	1.2
459.32803	2.7
477.33377	5.9
495.34500	3.2
546.36664	1.8
551.37286	7.1
563.91949	1.7
564.91840	1.6
569.38281	100.0
570.37964	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.2
53.03949	7.4
55.01872	6.2
55.05515	18.4
56.96618	1.3
57.03439	3.6
57.07072	2.2
65.03932	5.5
67.05508	51.0
67.91345	1.2
69.03416	2.1
69.07071	12.8
69.39609	2.0
69.40010	9.3
71.01349	2.2
71.04977	2.7
79.05495	54.2
81.03426	13.8
81.07056	44.6
81.07536	1.8
83.04977	4.9
83.08629	10.6
85.06535	2.4
87.49791	1.4
91.05483	42.7
93.07047	50.0
95.04971	44.9
95.05575	2.4
95.08610	28.8
97.06537	4.9
97.10167	9.0
99.08064	1.4
103.05475	4.0
105.07032	24.8
107.04956	6.8
107.08595	24.6
109.02885	4.4
109.06519	4.8
109.10172	12.3
111.04454	1.4
111.08080	2.9
115.05464	2.0
117.07018	17.8
119.05006	1.3
119.08586	21.2
121.06526	6.9
121.10155	18.9
123.04429	30.0
123.08067	3.0
123.11707	3.5
125.09638	4.8
128.06175	2.6
129.07008	8.8
130.07744	1.9
131.04901	2.5
131.08560	18.2
133.10135	10.2
135.08073	2.9
135.11696	17.8
137.05917	1.5
141.06981	2.0
142.07753	2.2
143.08571	10.3
145.06567	6.2
145.10130	16.5
147.08055	6.8
147.11700	8.0
149.09645	2.1
149.13278	3.4
153.09070	3.5
155.08585	5.9
157.10124	6.9
159.11674	7.6
160.11195	3.3
161.13286	3.1
163.11168	13.3
163.14771	1.2
165.12825	1.4
167.08606	1.6
169.10135	4.9
171.08122	2.1
171.10423	1.4
171.11641	7.3
173.08308	1.4
173.09634	5.8
173.13257	3.6
175.14738	2.1
178.12276	1.6
181.10072	1.4
183.08080	1.9
183.11708	5.1
185.09601	1.9
185.13286	2.9
187.14786	1.6
189.11224	2.9
189.12744	5.3
191.10605	2.8
195.11633	2.2
197.09447	1.5
197.13240	1.7
199.11176	1.8
199.14799	3.2
201.16432	1.4
207.11902	1.6
207.13774	6.3
209.13335	2.8
211.14978	1.5
217.12172	6.1
221.13252	1.5
235.13284	40.5
258.08835	2.2
261.22217	4.2
271.20795	1.4
291.15894	1.6
309.21939	1.4
325.25204	3.7
385.78870	1.4
428.04544	1.2
459.32803	2.7
477.33377	5.9
495.34500	3.2
546.36664	1.8
551.37286	7.1
563.91949	1.7
564.91840	1.6
569.38281	100.0
570.37964	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
55.93541	6.7
56.94304	2.4
59.75235	0.7
67.05508	4.8
69.07059	1.9
70.95869	4.8
71.47900	0.6
71.50163	0.9
71.92993	2.4
72.93791	9.0
74.95340	1.4
79.05499	4.4
81.03428	1.9
81.07063	5.0
82.95856	0.9
83.04984	1.0
88.96891	1.7
89.94056	0.9
90.94840	5.2
91.05493	4.7
93.07038	4.7
95.04965	2.8
95.08618	1.9
100.96889	1.0
102.94829	1.0
105.07033	2.6
105.93491	0.7
107.08591	2.6
108.95875	1.0
109.10146	0.9
111.17361	0.6
113.96436	1.2
113.97658	1.1
115.05386	0.7
116.96362	1.1
117.07003	1.4
118.94274	0.9
119.08597	3.2
121.10171	2.4
126.98429	2.5
127.99246	0.8
128.96390	3.7
129.07028	0.8
130.97891	0.7
131.08551	1.5
131.98695	0.8
132.95842	5.0
133.10185	1.0
138.98410	1.8
139.99191	0.7
140.99974	0.8
143.08568	0.9
144.95834	3.2
144.99471	2.1
145.10118	1.7
146.97380	5.7
150.96875	1.3
151.02054	1.9
151.97726	1.8
157.10097	0.8
158.97444	2.9
159.11714	0.9
160.99002	0.8
162.96896	1.2
164.98495	1.7
165.00014	2.0
165.97112	3.1
166.97940	1.9
168.95807	1.6
170.97438	1.1
172.98961	0.7
174.96930	2.6
176.98511	1.1
178.97911	3.4
180.99432	2.0
183.98206	1.3
184.98969	0.9
186.01321	1.0
186.96913	0.9
188.98480	2.2
189.03543	1.2
192.97879	0.7
192.99460	1.0
198.96893	1.6
199.02094	1.3
200.98372	0.8
212.98506	2.0
213.03557	2.0
215.05315	1.5
216.97897	1.3
224.98438	1.2
227.05197	2.4
230.99449	1.2
234.99057	2.6
235.13376	0.9
237.05745	1.2
239.05334	1.0
241.05226	2.2
243.06918	0.8
255.06781	2.3
261.00662	0.9
273.00333	0.8
275.07285	1.7
278.09692	1.9
279.08081	1.3
281.09894	3.5
283.11517	3.0
289.09009	1.1
291.01620	2.8
303.01236	1.7
327.01147	0.7
327.10364	1.3
329.11993	6.8
331.13562	10.0
333.15128	100.0
334.15332	2.0
364.29047	0.9
407.18820	32.7
467.13312	2.5
513.13947	1.8
551.23065	2.1
551.37164	1.0
569.24329	6.1
569.38098	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	569.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
53.64278	0.9
55.01877	34.7
65.03929	4.2
66.04692	1.1
67.05514	1.9
69.03420	1.0
69.93679	4.9
77.03911	1.0
79.05501	1.3
84.08126	1.1
87.37737	1.0
91.05508	5.9
93.03403	3.4
93.07058	1.1
94.04169	3.3
95.04951	1.9
95.08597	1.1
97.02894	2.7
98.20857	1.3
103.05482	8.7
105.07042	5.2
107.04946	3.1
109.02841	2.2
111.04440	2.2
115.05451	7.8
117.07018	1.6
119.04946	8.1
121.02251	0.8
121.02885	8.6
121.06519	1.7
122.03658	9.0
123.04422	2.7
125.05979	3.1
131.04941	15.2
133.02861	1.9
133.06474	5.2
137.05988	100.0
139.03906	2.0
141.98935	1.0
143.04926	9.1
145.02829	2.0
147.04408	13.6
147.08064	1.2
149.05986	5.9
151.03925	57.5
151.05031	5.8
151.07538	2.9
153.05476	6.8
159.04433	7.6
160.05226	5.4
161.05991	15.9
162.06747	2.0
163.03920	1.9
163.07544	5.0
165.05513	1.4
167.07048	3.5
175.07565	30.1
177.05510	6.0
178.06129	1.2
179.07039	7.4
181.04945	3.4
181.06593	1.1
187.07466	1.4
189.05496	2.7
189.09045	1.4
191.07048	8.4
193.04942	1.7
193.08559	5.8
203.07085	7.7
219.06549	7.8
221.05975	2.7
221.08110	44.9
259.09683	7.9
265.08652	2.0
275.64529	1.0
287.05518	11.2
293.08102	1.2
297.11279	1.5
303.05072	1.5
337.10715	1.3
341.10071	1.4
343.11755	3.6
355.11935	2.2
367.15594	1.0
373.12845	22.4
521.17834	1.9
539.19275	3.3
551.17426	1.4
569.20111	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	569.1293
Annotation	2''-O-p-Hydroxybenzoylorientin
Peak:m/z	Relative Intensity
53.03942	1.4
54.13585	0.3
55.01872	0.8
57.03435	0.3
65.03945	3.1
65.62181	0.3
67.79027	0.3
68.99799	0.8
69.03436	2.2
69.43806	2.4
81.03423	8.4
85.02918	2.1
86.06030	0.3
90.20471	0.3
91.05513	0.3
95.04972	4.1
97.02899	5.6
98.20785	0.7
99.04457	0.8
102.55402	0.3
105.03394	1.5
107.04971	0.6
109.02883	3.8
111.00807	0.6
111.04465	2.1
121.02872	100.0
127.03949	2.5
133.02859	0.4
135.04414	0.3
137.02412	0.4
137.06009	0.9
139.03905	11.8
145.02873	0.3
145.04962	0.7
147.04417	0.7
149.05937	0.4
151.03966	0.6
153.01866	2.2
161.05934	0.4
163.03905	1.3
163.07451	0.3
164.35468	0.3
165.01840	1.2
167.07040	0.7
175.07536	0.5
177.05522	0.8
183.02913	0.6
184.07373	0.4
185.06017	0.5
213.05447	0.7
241.04872	0.6
258.05243	0.8
259.06061	0.3
265.07092	9.7
283.08170	2.3
287.05515	49.5
288.05899	0.8
303.01581	0.7
303.04962	2.3
329.06784	0.8
335.44037	0.3
470.96542	0.3
564.59741	0.3
595.08081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.3
53.03952	6.1
55.01875	0.9
57.03434	0.7
65.03944	0.5
67.05519	0.8
67.78097	0.5
68.99793	1.1
69.03436	6.1
71.05004	1.2
71.49465	0.8
77.03940	1.4
79.05511	3.8
80.50886	0.5
81.03427	14.1
85.02907	3.6
89.03901	0.5
91.05497	1.0
93.03426	0.7
93.07037	0.6
95.04983	4.3
95.08577	0.8
95.70586	0.5
97.02906	10.4
99.04466	2.2
103.05461	0.9
105.03400	75.3
105.04558	2.5
105.07025	0.7
107.04955	0.8
107.08614	0.5
108.41000	0.5
109.02886	7.3
111.00866	0.6
111.08054	0.5
117.07045	0.6
119.08567	0.5
121.02853	3.1
121.06432	0.6
123.04439	5.7
127.03937	7.4
131.04938	1.6
135.04373	0.7
135.66716	0.5
137.02341	3.5
137.06018	3.5
145.04959	2.2
145.06569	0.5
149.06018	0.6
151.03938	2.0
153.01822	4.3
155.04982	0.5
161.06001	1.4
163.03964	1.5
163.07571	1.0
165.01865	1.5
167.07048	4.0
175.07495	0.7
177.05508	0.9
183.02895	0.8
189.05672	0.6
191.07040	0.7
201.05481	1.7
205.04881	0.6
207.06502	0.6
229.04980	5.0
249.07597	15.7
249.10069	0.9
257.04465	2.6
267.08786	1.3
274.04922	0.7
285.04068	1.2
287.05569	2.9
303.05017	100.0
304.05322	1.6
331.04153	0.6
422.46701	0.5
448.34763	0.6
460.32022	0.5
492.17581	0.6
516.30341	0.6
569.29913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
56.23528	0.4
59.78101	0.4
65.03944	3.2
68.99793	0.7
69.03433	0.7
70.87931	0.4
70.88261	0.7
72.48533	0.4
81.03397	0.9
82.15437	0.4
85.02908	0.9
95.04978	1.5
97.02931	0.6
103.05473	0.5
105.03383	0.5
106.73146	0.4
109.02885	0.7
111.04462	1.7
121.02872	100.0
122.03155	0.6
127.03916	0.4
133.02905	0.5
137.02304	0.5
137.06015	0.9
139.03908	1.5
147.04396	0.9
151.03893	0.5
153.01869	2.6
163.03903	0.5
165.01831	1.5
167.07175	0.6
179.38394	0.4
183.02925	0.4
183.32283	0.3
183.60957	0.4
213.05539	0.8
220.84288	0.4
258.05161	0.9
269.04504	0.5
272.58859	0.4
283.08157	5.0
287.05515	62.9
288.05832	1.0
329.06589	0.7
395.07794	0.6
414.78333	0.4
502.49979	0.4
599.29462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03951	4.5
55.01876	0.6
57.03417	0.5
59.13407	0.3
62.28507	0.4
65.32195	0.4
68.99786	1.0
69.03419	1.6
70.83581	0.9
77.03923	1.2
79.05502	2.1
81.03418	1.6
85.02914	2.8
87.42546	0.3
91.05511	0.5
95.04970	3.9
97.02882	2.6
98.20886	0.4
105.03394	92.3
105.04535	3.4
106.03722	1.3
109.02889	1.8
111.00802	1.1
121.02895	0.8
123.04438	3.1
127.03942	2.5
137.02332	3.8
137.06032	1.2
145.04965	1.7
149.02374	0.5
153.01840	4.0
163.03857	1.1
165.01871	1.2
167.07060	0.7
183.02878	1.0
183.04375	0.5
195.06624	0.6
201.05508	1.5
207.06487	0.8
211.03983	0.4
214.65906	0.4
219.06589	0.4
229.04994	4.7
247.05974	0.5
249.07628	3.5
257.04416	3.3
267.08621	4.9
274.04794	0.9
285.04019	1.3
303.04996	100.0
304.05368	1.5
345.05780	0.4
480.85989	0.4
539.58392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.4
55.01862	0.5
55.05510	0.5
65.03949	3.7
67.05531	0.6
68.39181	0.4
68.99800	0.9
69.03433	1.5
69.07066	0.6
71.49566	0.4
72.48609	0.4
77.26991	0.3
79.05500	0.8
81.03422	3.2
81.07061	0.6
85.02902	1.3
91.05506	1.2
93.03381	0.7
93.07052	1.1
95.04988	0.6
97.02889	1.4
97.06521	0.5
99.04477	0.4
103.05492	0.6
105.03397	1.0
105.07034	0.8
107.04968	1.3
107.08646	0.6
109.02903	1.4
109.10170	0.5
111.00810	0.4
111.04467	0.9
119.08596	0.5
121.02877	63.8
121.10171	0.5
122.03124	0.5
123.04457	0.6
127.03926	1.1
129.07040	0.5
133.02884	0.6
133.06516	0.5
135.04474	0.4
137.02376	0.6
137.05997	2.0
139.03902	6.4
145.05014	0.4
145.06509	0.5
147.04422	1.0
151.03931	0.8
153.01833	3.8
159.11649	0.6
161.05975	0.4
163.03891	0.7
163.14931	0.4
165.01846	1.6
165.05551	0.3
167.07069	2.2
175.11237	0.5
183.02988	1.0
185.06075	0.6
191.07045	0.6
193.08592	0.5
213.05469	1.7
231.06572	0.7
241.05008	0.7
258.05276	1.0
259.05969	0.5
265.07135	2.6
269.04318	0.4
283.08377	0.5
287.05521	100.0
288.05823	1.5
303.01501	0.4
384.99014	0.4
417.01709	0.4
471.96838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.3
57.07080	21.1
67.05514	19.3
69.07054	11.4
70.06587	11.1
71.08627	10.8
71.50328	5.5
72.39358	3.0
79.05487	13.0
81.07058	27.8
83.08607	7.8
85.10204	4.8
88.07647	16.6
91.05087	2.8
91.05495	30.5
93.07047	32.0
95.04961	45.5
95.08612	26.4
97.06524	5.1
97.10159	6.7
102.09174	9.2
105.07046	54.9
107.08608	36.4
109.06552	4.0
109.10164	16.7
117.07016	13.1
117.47115	3.3
119.08597	61.3
120.09363	5.4
121.10146	21.1
123.11715	8.3
128.06192	4.6
129.07004	10.0
130.07799	5.8
131.08572	39.7
132.09291	4.5
133.10133	34.0
135.08081	5.7
135.11703	16.7
135.36130	3.6
137.09668	4.0
140.90123	3.0
141.06982	5.3
142.07806	9.3
143.08556	24.1
144.09325	6.0
145.10143	50.4
147.11690	8.3
149.09677	7.4
155.08499	10.1
156.09357	11.4
157.02890	3.6
157.10149	26.0
158.10782	3.6
159.11726	23.1
161.09676	9.6
161.13229	7.1
168.09268	4.0
169.10098	17.9
170.10881	4.6
171.11711	21.7
172.12379	4.3
173.13280	14.4
175.14832	17.0
179.08557	8.3
181.10062	11.2
182.10895	6.6
183.11723	17.6
184.12465	5.9
185.13266	12.9
187.14842	9.0
193.10107	3.9
194.10947	4.3
195.11714	11.4
197.13347	21.2
199.14818	11.5
201.16364	6.3
207.11684	5.2
209.13268	19.0
211.14763	10.1
217.15814	4.4
223.14813	7.7
225.16402	5.8
232.12416	4.0
233.13275	4.1
237.16464	5.9
239.18034	5.4
241.19533	4.2
249.16389	4.5
259.20636	3.6
261.16391	5.4
263.17886	6.7
283.26422	15.8
284.29419	24.9
311.29434	30.0
312.32605	9.6
354.25565	5.9
411.91318	3.5
420.30161	4.3
464.61295	3.6
476.36502	23.7
535.39539	3.2
563.91595	5.7
568.43292	24.6
568.56659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.05515	11.7
57.07080	9.4
65.03936	2.3
67.05505	19.5
69.03412	3.0
69.07079	15.1
69.49901	4.8
69.50328	4.8
70.06584	3.6
71.08636	2.8
71.77791	1.6
77.03947	1.8
78.04656	1.6
79.05061	2.1
79.05498	22.3
80.06275	3.8
81.07053	33.1
83.04971	5.3
83.08628	7.7
85.06521	3.9
85.10155	1.5
88.07609	4.1
89.06048	1.4
91.05483	46.0
92.06261	2.5
93.07047	47.9
94.07825	1.9
95.04974	36.8
95.08607	31.0
97.06512	3.0
97.10166	2.1
99.02057	1.3
102.09181	1.9
103.05470	3.4
105.04499	1.6
105.07036	76.6
106.07832	3.4
107.08600	45.4
108.09369	1.9
109.06513	5.5
109.10156	16.9
111.08039	1.9
115.05481	5.2
116.06194	1.4
117.07018	24.7
118.07793	2.3
119.08590	100.0
120.09400	7.8
121.06479	2.3
121.10149	27.9
123.08067	15.7
123.11704	5.6
125.09565	3.4
128.06219	10.9
129.07008	20.3
130.07782	9.6
131.08572	44.9
132.09364	9.4
133.10139	50.3
134.10873	4.4
135.08054	7.2
135.11691	20.9
137.09650	9.0
138.10402	9.4
139.11205	3.5
141.06943	7.0
141.97098	1.6
142.07797	21.7
143.08571	44.5
144.09354	14.6
145.10126	90.5
146.10880	6.2
147.08109	2.1
147.11696	25.7
148.08736	1.8
149.09639	4.6
149.13258	4.6
151.11142	2.8
153.07001	1.5
154.07802	2.9
155.08545	17.4
156.09352	15.6
157.10132	48.2
158.10956	14.9
159.11696	37.9
160.12445	4.3
161.09622	5.5
161.13242	7.6
163.11243	2.4
165.07010	4.8
166.07799	2.5
167.08557	7.3
168.09369	8.1
169.10136	29.9
170.10887	8.0
171.11697	34.7
172.12527	7.9
173.09654	1.8
173.11786	1.9
173.13286	27.7
175.14832	17.7
177.12701	5.3
179.08600	7.2
180.09315	5.8
181.10130	13.7
182.10887	5.2
183.11723	28.9
184.12381	4.0
185.13264	24.4
186.14037	6.6
187.11131	1.9
187.14821	11.5
189.12753	5.0
191.14313	8.1
192.09300	2.2
192.15141	2.4
193.10184	8.6
193.15778	1.9
194.10896	7.7
195.11696	16.9
196.12534	6.9
197.13261	27.0
198.13997	5.9
198.50801	1.6
198.71419	1.5
199.14836	9.0
201.12799	3.6
201.16394	7.0
203.14262	2.9
205.10106	1.9
206.10988	3.9
207.11717	9.1
208.12447	5.3
209.13252	23.6
210.13930	3.0
211.14833	19.2
212.15617	3.8
213.16371	5.5
213.50327	1.6
215.14284	2.2
217.15948	5.6
219.11656	2.8
219.17464	2.3
221.13194	7.3
222.14105	3.3
223.14786	11.4
224.15491	3.7
225.16402	7.0
226.17131	3.0
229.15858	2.3
231.17256	1.5
233.13156	3.8
234.14194	2.3
235.14813	7.0
236.15654	1.9
237.16411	8.4
238.17139	1.5
239.17964	5.4
240.18742	1.6
241.19502	4.2
247.14737	4.0
248.15628	1.8
249.16327	5.9
251.17882	3.4
252.18687	2.1
253.19461	2.3
255.17451	3.6
255.21190	1.8
257.18982	2.0
259.20599	3.6
261.16364	2.7
262.17221	1.8
263.17920	5.3
265.19427	3.5
267.17587	1.5
267.21295	2.9
270.19717	2.0
275.17966	4.7
277.19592	3.3
281.18921	1.8
283.20712	3.3
283.26370	4.5
284.29501	6.7
285.22086	2.3
295.20547	2.0
296.21298	1.8
297.22229	3.4
305.22696	1.9
309.22195	1.8
311.29370	7.3
312.32660	3.4
323.23627	6.6
337.25134	2.8
338.26031	43.5
350.25885	1.6
351.26816	2.3
430.32416	15.2
443.33090	1.7
458.35632	2.0
476.36508	16.6
495.58978	1.8
563.91638	2.1
568.43042	29.6
568.56647	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55307	1.6
53.03939	3.1
55.05524	11.6
55.05753	2.2
56.39759	1.5
57.07088	12.3
59.04991	1.8
65.03941	4.1
67.05509	19.3
69.07070	12.5
70.06585	2.6
71.08630	3.1
79.05499	25.9
80.06280	3.8
81.07063	33.6
83.04971	2.5
83.08618	6.1
85.06549	2.8
85.10188	2.5
88.07646	3.5
89.06015	2.1
91.05485	42.9
93.07053	43.8
95.04392	1.8
95.04975	34.0
95.08603	29.0
96.08907	1.8
97.10149	2.7
98.21546	3.4
102.09171	3.8
103.05482	2.7
105.07039	76.8
106.07832	4.1
107.08601	41.1
108.09351	2.6
109.06518	3.4
109.10155	19.7
115.05447	6.4
116.06241	2.8
117.07015	21.3
118.07792	3.4
119.08593	100.0
119.12991	1.8
120.09367	5.5
121.10152	30.9
123.08078	15.4
123.11697	6.5
125.09624	3.3
128.06221	13.4
129.07027	18.0
130.07799	8.7
131.08575	47.3
132.09377	8.9
133.06468	1.7
133.10138	55.8
134.10886	6.1
134.41563	1.5
135.08078	4.4
135.11716	14.6
137.09630	7.7
138.10460	9.1
138.11349	1.6
139.11230	2.5
141.06992	8.2
142.07782	17.3
143.08568	38.7
144.09329	11.6
145.10130	82.1
146.10910	5.6
147.11705	19.3
149.09654	4.6
149.13232	4.2
151.11134	2.6
154.07777	2.4
155.08554	15.7
156.09372	12.9
157.10133	48.3
158.10912	10.3
159.08081	2.5
159.11703	33.3
160.12450	3.9
161.09647	3.4
161.13307	7.7
163.11148	2.7
165.07013	4.1
165.12679	1.6
166.07704	1.9
167.08578	7.4
168.09317	7.8
169.10161	23.3
170.10982	10.7
171.11693	35.5
172.12450	5.4
173.13272	24.9
175.11272	1.5
175.14832	22.2
177.12733	6.1
179.08569	8.5
180.09357	4.4
181.10129	15.1
182.10872	7.5
183.11699	30.7
183.13232	2.2
184.12466	6.2
185.13263	21.8
186.14046	7.0
187.14799	11.0
189.12738	4.6
191.14359	8.4
192.09323	2.9
192.15167	2.9
193.10158	8.9
194.10928	7.5
195.11725	16.7
196.12518	8.3
197.13257	28.5
198.14070	6.3
199.14789	11.3
200.15556	1.9
201.12755	2.6
201.16400	6.0
203.14470	2.9
205.10165	1.9
205.15880	3.0
206.11078	1.6
207.11723	9.0
208.12479	5.8
209.13255	26.2
210.14003	3.6
211.14865	14.9
213.16403	5.8
217.15897	5.5
220.12492	3.3
221.13252	10.1
222.14037	2.9
223.14738	9.6
224.15640	4.8
225.16399	6.6
233.13332	3.5
235.14848	5.5
236.15547	1.8
237.16406	8.5
238.17209	2.7
239.17986	4.7
245.13150	2.0
247.14923	2.3
249.16365	6.3
251.17848	3.2
255.17349	2.0
255.20860	1.9
259.20569	4.0
261.16422	4.5
263.17957	6.0
265.19608	4.0
267.17133	2.1
267.21286	2.1
275.17825	3.7
277.19464	3.6
279.21048	2.1
281.18893	2.3
283.26337	4.3
284.29553	9.2
285.21936	3.2
296.21573	2.3
297.22131	2.1
311.29535	8.4
312.32593	3.8
320.24954	2.2
323.23660	6.2
324.24426	2.4
338.26065	42.4
344.46655	2.1
351.26706	3.4
357.21448	1.7
375.26685	1.9
430.32404	10.3
458.35709	2.1
476.36478	15.4
568.42877	27.7
568.56787	33.7
569.45709	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.1
52.40842	1.7
53.03951	4.5
55.05519	13.1
57.07084	12.4
60.92602	1.7
61.05548	1.5
65.03939	3.0
67.05508	22.5
69.03430	2.1
69.07077	14.7
70.06596	3.7
71.08643	2.2
79.05499	30.6
80.06290	4.8
81.07059	37.2
83.04992	3.1
83.08640	6.9
85.06551	2.7
85.10180	1.7
88.07647	3.3
91.05493	50.6
92.06283	3.1
93.06486	3.6
93.07055	57.6
93.07645	3.6
94.07836	1.8
95.04984	43.7
95.08619	35.1
97.06535	2.5
97.10199	2.1
103.05481	2.7
105.07043	87.9
106.07839	4.8
107.08598	49.4
109.06546	4.0
109.10167	21.4
111.08113	2.6
115.05472	7.5
116.06206	2.5
117.07033	31.5
118.07850	3.2
119.08594	100.0
120.09389	6.9
121.06499	3.5
121.10151	38.9
122.10958	2.6
123.08072	16.3
123.11714	6.5
128.06232	13.0
129.07034	21.4
130.07822	9.0
131.08575	55.7
131.09552	3.4
132.09378	11.3
133.10144	62.7
134.10953	6.8
135.08093	7.6
135.11736	13.7
137.09630	7.6
137.13264	1.8
138.10410	7.3
139.11157	2.6
141.07011	7.3
142.07799	17.8
143.08575	43.9
144.09372	12.9
145.10136	97.0
146.10884	5.5
147.11723	22.6
149.09625	4.9
149.13257	6.1
151.11252	5.6
153.07056	2.4
154.07808	3.3
155.08572	19.2
156.09357	19.3
157.10155	50.6
158.10944	15.3
159.08080	2.1
159.11711	42.6
160.12531	3.9
161.09647	6.1
161.13281	9.8
163.11281	3.6
165.07021	3.4
167.08609	7.2
168.09401	4.9
169.10149	30.5
170.10942	9.0
171.11696	36.6
172.12483	7.4
173.13249	25.7
175.11191	2.4
175.14844	22.1
177.12727	6.4
179.08521	12.0
180.09322	7.0
181.10136	15.1
182.10884	9.1
183.11723	26.3
184.12497	7.7
185.13280	29.7
186.14082	7.1
187.14807	13.4
189.12802	3.6
191.14288	10.8
192.09457	2.1
192.15143	3.5
193.10156	9.6
193.15929	2.3
194.10939	9.5
195.11726	16.8
196.12534	9.1
197.13293	26.8
198.14067	6.5
199.14836	16.0
200.15692	1.9
201.12766	4.9
201.16475	8.9
203.14383	4.4
205.10170	1.9
206.10991	3.9
207.11705	10.6
208.12531	5.7
209.13289	29.6
210.14063	2.3
211.14815	18.9
213.16379	5.0
215.14284	3.6
217.15906	6.2
219.11681	4.6
219.17448	2.5
220.12526	2.9
221.13295	9.5
223.14783	13.5
224.15646	3.8
225.16446	11.1
227.14363	2.8
227.17963	2.9
229.15878	2.2
230.16713	2.0
231.11739	2.5
231.17587	2.0
233.13158	3.8
234.14087	3.2
235.14859	6.1
237.16385	8.8
239.17952	7.1
241.19501	2.1
246.13765	1.9
247.14809	4.8
249.16399	4.8
251.17967	3.4
253.19452	2.6
255.17401	2.1
257.19119	3.4
259.14935	2.5
259.20645	4.2
261.16446	2.2
263.17999	6.5
265.19473	4.8
271.20624	2.2
275.17990	5.3
277.19525	3.5
279.21030	2.1
283.20602	4.3
283.26367	3.0
284.29413	6.3
285.22250	2.2
291.20828	1.9
297.22098	3.7
305.22668	2.2
311.29520	6.7
312.32645	3.9
323.23770	6.2
337.25214	2.6
338.26056	39.5
339.27487	2.1
349.25403	2.0
351.26797	3.3
414.11993	2.0
415.30008	3.2
420.30289	3.2
430.32455	14.2
476.36615	17.1
479.74991	1.8
563.91937	2.4
568.43018	26.0
568.56580	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12212	3.3
53.03943	5.3
55.05498	16.0
55.56679	3.3
57.07083	19.9
65.03961	4.2
67.05500	17.2
69.07059	17.1
70.06581	11.4
71.08617	6.8
78.80869	3.3
79.05479	28.2
81.07059	31.3
83.08600	9.6
85.06536	5.9
85.10181	3.2
88.07633	9.2
89.06040	3.7
91.05484	46.5
93.07040	58.4
95.04942	4.8
95.08617	36.8
97.10187	6.6
97.28716	4.6
102.09169	8.6
103.05486	3.7
105.07031	72.0
107.08591	46.1
109.06471	5.8
109.10159	21.5
114.06924	3.5
117.07044	22.3
119.08582	100.0
120.09346	7.8
121.10143	33.2
123.11698	9.2
125.09647	4.7
128.06245	10.7
129.06989	19.4
131.08572	45.0
132.09250	4.1
133.10136	50.4
135.11703	18.5
137.09625	6.1
141.07002	9.5
142.07773	17.4
143.08569	37.5
144.09349	11.5
145.10138	69.7
146.10791	4.9
147.11684	22.8
149.09593	5.7
149.13258	6.7
154.07790	4.8
155.08572	17.4
156.09384	19.7
157.10138	51.1
158.10941	14.0
159.11737	42.8
161.13242	7.5
163.11197	4.2
165.06990	6.4
167.08575	10.3
168.09369	5.5
169.10152	24.7
170.10817	9.3
171.11674	34.9
172.12466	4.7
173.13243	33.4
175.11363	4.2
175.14848	22.9
177.12830	5.3
179.08534	9.3
180.09369	6.5
181.10118	13.8
182.10910	7.8
183.11696	28.5
184.12544	5.9
185.13261	25.2
187.14740	12.3
191.14380	4.9
192.09471	4.0
193.10120	8.8
194.10905	6.0
195.11694	26.2
196.12456	11.3
197.13246	22.3
199.14803	8.4
201.16411	8.1
203.14453	4.8
205.10088	4.2
207.11688	14.4
208.12442	5.6
209.13322	23.5
210.14029	6.6
211.14806	14.1
212.15518	5.2
217.15947	9.3
219.17380	5.4
220.12489	4.9
221.13297	9.7
222.13974	6.1
223.14825	13.9
225.16432	5.9
231.17291	4.0
233.13177	7.5
235.14771	8.8
237.16235	7.6
239.17946	7.4
245.13229	5.3
247.14917	4.7
249.16388	6.7
255.17334	5.2
257.19049	5.6
261.16254	4.1
263.18134	6.0
265.19592	6.3
273.16272	4.3
276.91190	5.7
283.20718	8.1
283.26352	12.8
284.29556	22.4
297.22281	3.8
311.29456	19.8
312.32657	6.1
323.23831	6.2
461.34039	5.9
476.36536	59.3
568.42963	25.5
568.56592	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.9
53.03958	6.4
55.05510	12.2
57.07079	12.2
59.05012	2.0
64.85310	1.4
65.03944	3.8
67.05511	19.2
69.07070	12.4
69.84534	4.3
69.84943	2.9
70.06598	1.4
79.05494	23.1
79.44476	1.2
80.06244	1.6
81.07058	27.8
83.04993	3.2
83.08630	7.1
85.06562	5.3
88.07615	1.9
91.05483	47.2
93.07049	45.0
95.04977	4.5
95.08611	31.8
97.06524	2.8
103.05482	3.7
104.06212	1.5
105.07035	71.8
106.07832	2.8
107.08596	43.9
109.06518	4.2
109.10168	18.0
111.08118	2.1
115.05458	4.0
116.06253	2.7
117.07015	24.4
118.07764	1.7
119.08587	100.0
120.09406	9.2
121.06532	1.5
121.10148	28.9
123.08078	3.3
123.11711	3.2
124.64680	1.2
125.09660	1.8
128.06209	9.8
129.07007	17.0
130.07832	9.2
131.08578	43.3
132.09357	4.4
133.06563	1.5
133.10138	49.2
135.08092	6.5
135.11696	18.4
137.09605	5.3
139.11205	2.7
140.81033	1.3
141.06987	9.1
142.07796	16.3
143.08562	33.9
144.09355	11.1
145.10129	58.1
146.10876	2.6
147.08066	2.3
147.11702	22.4
148.91982	1.3
149.09604	6.1
149.13266	4.3
151.11162	1.6
153.06982	3.5
154.07820	4.0
155.08559	18.3
156.09361	15.8
157.10136	45.8
158.10936	10.1
159.11702	36.5
160.12318	2.0
161.09637	2.7
161.13251	10.8
163.11198	4.0
165.07057	4.1
166.07780	3.4
167.08600	9.5
168.09370	9.3
169.10118	24.6
170.10916	8.7
171.11688	33.4
172.12535	6.7
173.09602	1.2
173.13264	28.6
175.11192	3.6
175.14828	20.3
177.12790	3.2
179.08606	12.2
180.09348	6.5
181.10126	14.6
182.10889	8.2
183.11703	25.5
184.12479	5.2
185.13275	21.0
186.14102	3.6
187.14815	14.4
189.12700	3.5
191.14342	3.8
192.09346	3.7
193.10159	8.8
193.15886	1.6
194.10941	10.7
195.11668	19.2
196.12453	10.8
197.13261	24.6
198.14020	2.4
199.14819	11.3
201.12793	4.2
201.16367	10.9
203.14325	5.3
205.10149	1.8
205.15831	2.5
206.10965	5.7
207.11714	11.1
208.12479	4.5
209.13278	30.5
210.14034	5.1
211.14795	14.3
212.15385	1.9
213.12866	2.0
213.16466	6.5
215.14337	2.1
217.15900	8.8
218.10820	2.4
219.11696	4.6
219.17448	3.1
220.12407	1.6
221.13251	9.9
222.14047	2.4
223.14870	13.7
224.15680	2.9
225.16312	7.5
227.14374	4.0
227.17953	1.9
229.15862	2.5
231.11823	1.7
232.12547	2.2
233.13278	6.0
234.13985	2.6
235.14857	8.4
236.15627	2.7
237.16396	7.6
239.17990	7.2
241.19547	3.6
244.12500	1.6
245.13264	2.9
245.19142	1.3
246.14053	2.1
247.14845	4.9
249.16476	6.3
250.17207	1.5
251.17894	3.1
253.19521	2.5
255.17415	3.9
257.19040	5.1
258.13889	1.8
259.14700	1.8
259.20667	3.5
261.16464	5.1
263.17972	4.3
265.16882	1.2
265.19424	7.3
267.17346	1.8
267.21011	2.0
269.18866	1.6
270.19864	4.3
271.20731	3.0
272.21359	5.5
273.16434	2.4
275.17969	4.4
277.19476	2.9
279.21118	1.3
283.20575	6.1
283.26306	2.1
284.29510	3.4
285.22150	3.4
287.17822	2.8
289.19623	2.1
296.21426	1.5
297.22205	3.2
303.21066	1.6
307.20773	1.6
311.23727	3.0
311.29510	3.0
321.22189	1.4
323.24026	3.1
327.21280	1.5
329.22546	1.5
337.25095	1.8
349.25208	2.8
355.26221	1.9
362.26169	3.5
364.27725	1.5
370.28644	2.5
375.26862	1.5
443.33112	2.2
458.35312	2.0
461.34189	3.7
476.36551	58.4
568.42908	19.0
568.56622	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	568.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21599	5.3
56.96568	8.1
60.58859	5.4
71.48037	6.0
71.48368	6.4
87.24271	5.3
91.02677	4.9
95.03742	5.5
98.97584	45.0
115.92949	5.3
116.98618	22.2
119.01910	9.3
124.02667	5.3
134.99753	8.6
138.05544	6.6
172.56166	5.9
177.00955	19.6
178.01164	7.1
219.02026	23.5
234.99957	7.2
240.98781	8.6
243.02060	13.8
256.97098	10.6
257.96936	8.6
258.65781	6.9
258.96854	10.1
258.99957	55.9
260.00021	31.8
261.00128	10.5
261.03052	92.8
262.03217	27.5
263.02908	23.3
264.03125	7.9
274.97733	27.4
275.97937	6.8
276.97610	16.3
277.00967	38.9
278.01132	14.1
279.01074	10.5
283.00024	100.0
284.00107	91.3
284.99789	27.0
286.00012	8.6
298.97791	20.3
299.97952	13.1
300.97690	19.0
301.01065	87.2
301.97824	9.6
302.01123	75.2
303.00873	28.7
316.98843	20.6
317.98901	19.5
318.98627	19.4
319.98651	10.9
354.93710	9.9
397.94901	7.4
401.01416	8.3
419.98444	6.8
425.01236	12.7
426.01474	37.2
428.85144	6.2
441.98877	11.2
443.02115	23.6
444.02887	58.3
445.02655	7.2
458.99896	12.0
460.00012	12.1
461.99841	17.5
474.44156	7.1
501.98462	7.6
528.93481	11.8
537.94177	17.0
538.45355	10.4
546.44476	17.3
546.94891	15.2
547.44617	9.1
550.01514	44.8
551.01135	7.4
568.02429	63.3
569.01544	7.4
585.99988	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.7
53.03937	3.9
55.05509	10.7
57.07066	7.4
59.00895	1.5
59.04997	1.3
65.03929	3.5
67.05507	14.6
69.03433	1.8
69.07066	10.6
70.80975	2.6
71.04975	1.4
77.03929	1.9
79.05080	1.8
79.05496	25.9
80.06255	2.7
81.06602	1.8
81.07059	33.8
83.04975	1.5
83.08606	6.1
85.06535	4.4
91.05483	46.5
92.06260	2.3
93.07048	49.2
94.07825	2.8
95.04372	2.6
95.04970	38.5
95.08076	2.0
95.08614	28.9
97.06533	2.6
103.05457	4.5
105.07034	79.8
106.07872	2.3
107.08595	42.5
108.09368	3.0
109.06534	3.1
109.10167	21.5
111.08022	1.8
115.05452	4.2
117.06239	2.2
117.07025	28.6
118.07806	3.3
119.08584	100.0
120.09388	10.1
121.06484	1.9
121.10154	33.2
122.07301	1.6
123.08089	15.3
123.11714	7.3
125.09667	1.4
128.06226	10.9
129.06996	18.1
130.07785	11.7
131.08575	48.4
132.09367	11.0
133.10130	53.2
134.10890	5.6
135.08058	5.2
135.11693	19.3
137.09595	5.8
138.10396	5.9
139.11131	1.9
141.06929	7.1
142.07785	17.2
143.08574	42.9
143.09686	2.2
144.09346	14.0
145.10129	87.9
146.10851	5.7
147.11694	23.0
149.09628	4.8
149.13229	3.6
151.11183	4.1
151.14763	1.5
153.06941	2.9
154.07753	4.1
155.08551	19.9
156.09351	17.8
157.10146	49.5
158.10916	11.2
159.08076	2.0
159.11697	41.0
160.12372	1.9
161.09598	5.7
161.13252	7.9
163.11163	3.5
165.07016	4.3
165.12808	1.2
166.07779	2.0
167.08598	8.4
168.09306	6.9
169.10118	26.6
170.10950	9.3
171.11696	36.5
172.12415	6.9
173.13258	28.7
174.14037	1.7
175.11198	2.7
175.14833	24.0
177.12770	4.5
179.08540	8.8
180.09349	3.8
181.10129	14.3
181.77028	1.3
182.10904	7.8
183.11693	30.3
184.12469	6.7
185.13257	26.0
186.14012	7.7
187.14796	14.8
189.12726	4.4
189.16464	1.4
191.14346	11.2
192.09433	2.3
192.15063	3.6
193.10170	8.0
193.15932	1.7
194.10902	6.8
195.11690	15.6
196.12454	8.5
197.13258	27.4
198.14006	5.2
199.14830	14.0
201.12787	4.4
201.16396	8.3
203.14316	3.8
205.10091	1.3
205.15871	1.4
206.10928	2.6
207.11667	10.1
208.12498	5.0
209.13258	24.5
210.13985	5.1
211.14819	19.1
212.15547	2.0
213.16359	4.4
215.14301	2.1
217.10025	1.6
217.15845	5.7
218.10905	1.3
219.11610	2.6
219.17480	2.0
220.12428	2.4
221.13231	8.3
222.13998	4.1
222.48653	1.3
223.14807	11.4
224.15587	3.9
225.16434	11.5
226.17184	1.9
227.17998	2.4
229.16068	1.4
231.11687	1.4
231.17436	2.5
232.12415	1.6
233.13271	3.9
234.14041	1.6
235.14838	9.1
237.16463	9.0
238.17154	1.3
239.18013	5.9
241.15839	1.5
241.19493	4.1
245.13211	2.0
246.13820	1.6
247.14761	5.5
249.16367	3.6
251.17908	4.8
253.19391	1.6
255.17416	2.5
257.18909	2.4
259.20612	2.1
261.16318	3.2
262.17191	1.4
263.17886	4.5
265.19479	4.1
267.20850	1.5
271.20230	1.6
272.21356	1.4
273.16238	2.1
275.17972	2.9
277.19479	2.4
279.21048	2.9
281.19037	2.9
283.20508	4.0
285.22159	2.6
289.19672	2.5
291.20917	1.8
292.81631	1.2
297.22165	3.0
304.75787	1.2
309.22028	1.5
323.23752	7.1
331.24301	1.5
337.25220	2.8
338.22064	2.9
338.26025	46.5
349.25314	2.0
351.26624	3.0
360.24237	1.4
363.26898	1.7
420.30127	2.0
430.32440	14.4
443.33423	1.4
476.36542	15.5
550.41345	1.6
551.41632	1.2
568.42773	26.6
568.56671	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	567.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.8
53.89981	4.9
55.05505	20.7
56.84081	4.4
57.07070	14.5
63.18650	4.1
63.89241	4.8
67.05511	44.6
69.07065	18.1
71.50914	6.0
78.90685	5.1
79.05499	43.3
81.07063	64.4
83.04974	10.3
83.08622	14.1
91.05494	61.8
93.07048	81.1
95.04963	16.5
95.08070	5.6
95.08619	56.1
97.06497	5.8
105.04559	4.8
105.07034	92.7
106.15559	4.8
107.08604	62.6
109.06521	11.2
109.10165	55.5
115.05490	5.9
117.07030	25.1
119.08591	100.0
121.10149	55.4
123.08087	5.4
123.11701	13.3
125.09552	5.0
128.06223	17.3
129.07011	23.3
130.07820	11.5
131.08569	58.4
133.10144	63.4
135.08136	6.5
135.11691	39.4
137.09630	13.0
139.11273	6.2
142.07832	23.5
143.08562	35.5
144.09387	8.0
145.10130	75.5
147.11661	26.1
149.13275	9.8
155.08533	22.3
156.09331	16.7
157.10146	54.6
158.10773	4.9
159.11684	43.8
161.13278	17.4
163.11214	8.2
165.07018	12.1
165.66634	5.0
167.08572	9.9
168.09340	6.1
169.10089	24.7
170.10899	7.7
171.11703	22.9
173.13257	32.9
175.14799	32.1
179.08551	9.7
180.09384	6.0
181.10098	16.7
182.10886	7.9
183.11670	20.6
185.13275	20.0
187.14854	13.8
193.10178	9.4
194.10925	7.4
195.11749	24.1
197.13321	14.9
199.14952	8.9
201.16373	15.4
203.14291	6.0
206.10922	7.1
207.11714	19.0
209.13261	21.6
211.14818	15.3
213.16425	10.4
220.12254	6.3
221.13367	11.6
223.14897	10.1
225.16365	9.4
231.11720	5.3
232.12328	8.3
233.15419	7.4
235.14789	7.6
237.16405	5.5
247.14798	6.7
249.16418	6.4
261.16394	7.5
263.17957	7.7
267.21005	6.5
274.30826	4.7
275.17993	5.9
283.20480	7.9
295.79901	4.4
343.24124	5.5
427.29965	5.6
549.41040	20.2
567.41907	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92358	2.4
53.03940	5.3
55.05518	17.8
57.07081	8.4
65.03937	4.3
67.05506	27.0
69.07071	20.4
79.05490	34.7
81.03428	2.9
81.07057	48.4
83.08624	9.6
83.91930	2.2
91.05486	59.9
92.05792	3.3
93.07048	76.5
95.04968	6.5
95.08072	3.9
95.08619	46.2
97.06542	5.0
103.05447	6.0
105.07035	100.0
107.08596	58.2
109.06522	5.9
109.10163	39.4
115.05472	7.8
117.07027	19.0
119.08591	92.6
121.06514	2.6
121.10149	63.4
123.08089	4.9
123.11701	16.6
128.06250	11.8
129.07005	10.8
130.07771	6.5
131.08562	42.1
133.10135	58.0
135.08066	4.4
135.11703	28.8
137.09639	7.0
139.11209	3.3
141.07010	7.0
142.07793	17.1
143.08565	37.4
144.09302	7.6
145.10124	63.1
147.08052	2.6
147.11702	22.5
149.09602	4.3
149.13272	7.8
155.08592	17.3
156.09392	15.5
157.10139	45.2
158.10878	5.3
159.11702	33.0
161.09702	4.9
161.13264	13.1
165.07095	3.0
167.08592	10.0
168.09381	5.5
169.10138	27.8
170.10977	4.6
171.11707	25.9
172.12273	2.7
173.13234	23.9
175.14857	23.2
179.08577	10.3
180.09319	6.8
181.10114	13.9
182.10876	8.6
183.11716	24.0
184.12320	3.0
185.13280	14.4
187.14806	17.1
192.09370	3.4
193.10220	12.4
194.10870	8.9
195.11728	23.5
196.12378	4.7
197.13286	22.3
199.14848	7.9
201.16414	9.2
205.10144	3.3
205.15837	3.4
206.10954	4.8
207.11694	13.9
208.12375	5.4
209.13283	19.9
211.14854	14.0
213.16447	7.5
217.10083	3.7
219.11711	6.9
220.12447	2.9
221.13310	13.0
223.14880	7.3
225.16377	5.8
231.11624	7.6
232.12561	3.6
233.13254	7.9
234.13994	3.0
235.14792	7.5
237.16370	6.3
239.17969	6.3
245.13228	5.4
247.14807	6.1
249.16341	3.9
251.18004	5.1
253.19519	4.6
259.14871	3.3
261.16486	7.8
263.18011	7.2
265.16327	2.6
265.19293	3.4
267.21478	2.8
271.14917	3.3
274.16812	3.1
275.18036	2.6
277.19464	3.8
291.21170	3.4
315.21103	3.4
343.24271	3.0
361.25235	2.9
399.19479	3.0
427.30017	2.6
503.00375	2.7
506.44302	2.4
521.52625	2.6
537.40930	2.9
549.40717	15.9
567.41888	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01867	0.9
55.05516	1.2
57.03450	0.7
59.05003	0.7
67.05511	3.7
69.03439	0.8
69.07075	0.8
70.60727	0.4
71.05011	0.5
71.50969	0.6
79.05502	1.7
81.03420	2.8
81.07047	2.9
83.04992	0.9
83.08601	0.7
85.02919	1.7
85.06546	0.5
85.53120	0.5
91.05489	2.8
93.07063	2.7
95.04958	1.4
95.08625	1.7
97.02932	0.5
97.06504	0.7
99.08103	0.7
105.07039	2.4
107.04935	0.8
107.07938	0.4
107.08569	2.4
109.06524	0.7
109.10171	1.4
116.51309	0.5
117.07032	0.7
119.08569	2.9
121.06590	0.6
121.10148	2.2
123.08025	0.6
125.09698	0.6
129.06998	1.0
131.04999	1.1
131.08623	1.5
133.10152	1.5
135.08131	0.6
135.11723	0.5
143.08586	0.7
145.10146	1.4
147.11705	1.5
149.09581	0.6
155.08633	0.7
157.10181	1.7
159.11740	0.6
167.07056	0.5
167.40504	0.4
171.11626	0.6
173.13306	0.8
175.11136	0.8
187.14803	0.6
193.12346	0.7
205.15877	0.8
233.11494	0.6
246.61064	0.5
251.12596	1.3
282.47330	0.5
283.15186	11.5
291.67581	0.5
307.15384	0.7
339.17780	4.9
567.31409	100.0
568.31744	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01883	2.3
65.03938	4.7
69.37940	6.5
69.38369	6.5
79.05492	10.1
81.03423	2.5
81.07045	2.0
91.05482	13.9
93.03418	5.1
93.07054	2.0
95.04999	3.7
102.83422	1.5
103.05473	8.2
105.07053	10.8
105.07671	1.8
106.04182	3.6
107.04958	14.5
109.06532	2.4
110.03662	5.1
111.04395	3.7
115.05463	5.6
117.07035	3.2
118.04207	3.4
119.04953	7.3
119.08575	2.7
121.06525	5.2
123.04414	5.2
125.06007	6.5
128.06247	3.9
129.06979	5.8
130.04146	1.7
131.04945	10.3
132.05659	3.2
133.06502	6.8
135.04439	3.3
137.05972	20.2
143.06100	2.0
145.06465	3.3
147.04445	10.8
147.05420	1.8
147.08066	3.2
149.06010	4.2
151.03931	5.2
151.07539	3.3
152.04721	2.9
153.04326	2.7
153.05479	28.8
159.04311	2.1
159.08055	6.9
159.11761	1.9
160.05258	1.8
161.06009	16.9
163.03952	4.7
163.07552	4.7
165.05589	2.1
166.07916	1.6
167.07059	100.0
171.08070	2.6
172.05266	1.9
173.06024	2.3
175.07553	21.1
177.05469	5.4
178.07817	1.8
179.07040	4.5
179.66887	2.1
181.04941	2.4
181.06509	1.7
181.08470	1.6
187.07542	21.1
189.05466	3.8
189.06950	2.1
189.09117	2.4
190.07715	2.1
191.07031	12.8
191.08583	3.8
199.07567	9.3
202.07838	3.6
203.08594	4.4
205.06598	3.0
205.10193	1.7
206.07222	3.8
207.06554	1.9
209.08089	3.4
215.08691	1.7
218.07297	5.6
219.08096	6.7
220.08907	2.2
221.09721	3.5
229.08627	2.1
231.08061	4.8
232.08829	2.4
232.18326	1.6
233.05948	2.0
233.09679	3.8
234.06718	2.4
235.07565	5.8
236.08241	1.8
237.09221	2.4
245.05898	1.9
246.06749	3.2
247.07558	5.8
248.08340	5.6
249.09183	10.5
250.06227	2.1
251.06943	2.4
251.10663	4.8
253.08704	1.9
258.06641	2.3
259.07660	3.2
260.08398	2.6
261.05551	2.8
261.08939	3.8
262.10037	1.6
263.07086	3.9
264.07932	3.9
265.06018	1.5
265.08524	9.4
266.09430	2.4
275.07050	2.2
276.07816	6.5
277.08621	4.9
278.09354	3.3
279.06732	1.8
279.10156	3.3
280.07303	1.9
281.11655	6.3
285.19461	1.5
289.08572	4.9
289.11667	1.6
290.09424	2.0
291.10294	3.8
291.65613	1.7
293.08096	3.0
293.11642	2.4
294.08997	1.7
295.09586	2.2
304.07187	2.3
305.08301	2.2
306.09042	3.4
307.09702	11.3
308.10315	5.3
309.11182	10.1
319.09744	11.0
320.10370	3.7
321.11285	9.4
322.11838	1.9
323.12717	4.3
326.11722	2.6
339.12280	30.4
341.13858	16.3
345.09976	2.2
351.12256	17.9
353.13885	9.7
369.13214	2.2
391.68677	1.9
535.18414	2.5
567.20099	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	567.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01871	2.7
55.05529	1.4
65.03943	7.9
70.95478	3.5
78.04711	4.0
79.05508	9.1
81.03438	1.8
82.04195	2.2
91.05499	13.0
92.30147	1.3
93.03404	5.8
93.07057	1.9
94.04175	1.8
95.04984	3.0
100.11251	3.5
103.05493	3.3
105.07040	11.5
106.04205	2.8
107.04958	11.4
110.03671	6.3
111.04453	4.4
115.05497	8.2
117.07040	3.1
119.04971	9.5
119.08606	3.7
121.06566	2.1
121.10116	1.6
122.03710	2.3
123.04455	8.9
123.05243	1.3
124.05223	5.0
125.06007	11.2
128.06255	5.1
129.06982	8.2
131.04926	7.5
131.08658	1.7
132.05728	2.9
133.02895	3.0
133.06519	8.3
133.07419	1.9
135.04489	1.9
137.06004	14.0
143.04948	1.7
144.05733	2.8
145.06480	2.8
147.04442	12.9
147.08066	3.8
148.05173	1.7
149.06012	4.5
151.03868	3.9
151.07599	3.2
152.04694	3.8
153.05489	38.9
155.04974	2.7
159.08038	8.0
160.05182	2.3
161.06001	13.2
163.03897	2.0
163.07498	1.8
165.05327	1.9
167.07062	100.0
172.05269	3.4
173.05927	1.5
175.07542	27.3
177.05505	3.5
178.07787	2.4
179.07071	7.4
181.05031	1.4
184.05345	2.2
186.06854	2.5
187.07549	20.1
189.05481	8.1
189.07095	3.6
189.09059	1.5
189.12730	2.7
190.07784	4.4
190.12999	1.7
191.07088	7.7
191.08578	2.7
199.07545	8.9
202.07796	4.5
203.06918	2.4
203.08626	5.6
205.06595	3.5
206.07317	4.8
207.06470	2.9
207.08182	3.2
209.08064	2.9
215.08693	2.9
216.07846	2.9
218.07281	5.5
219.08064	9.9
220.08824	3.4
221.05963	2.7
221.09671	5.7
223.07541	1.9
229.08640	3.9
230.07341	1.7
231.08139	7.4
232.08870	2.7
233.06149	2.1
233.09613	5.8
234.06845	4.8
235.07584	7.7
236.08429	2.9
237.09113	2.9
245.06038	1.8
246.06796	4.3
247.07625	7.2
248.08415	5.4
249.09142	8.2
250.10022	2.1
251.06960	3.5
251.10677	5.2
259.07474	2.4
260.08395	3.6
261.05533	3.7
261.09131	5.5
262.06424	2.1
262.09976	3.3
263.07013	3.3
263.10748	3.0
264.07910	5.0
265.08569	7.8
266.09424	3.0
275.06924	3.0
276.07932	9.0
277.08612	8.4
278.05865	2.0
278.09351	4.1
279.06656	1.6
279.10159	3.8
281.08798	1.8
281.11694	9.0
283.09735	1.8
288.07874	2.5
289.08664	5.6
290.09393	3.3
291.07169	1.8
291.10010	7.2
292.07135	1.6
292.10385	1.9
293.08112	5.0
293.11758	3.7
294.08911	4.2
305.08011	4.0
306.08890	2.9
307.09622	12.5
308.10495	6.1
309.11102	10.6
319.09622	12.0
320.10251	2.5
321.11136	9.8
323.12918	7.8
337.10791	1.8
338.11160	1.9
339.08344	3.2
339.12302	51.8
341.13846	17.1
351.12299	27.6
352.13104	1.7
353.13815	9.5
371.14862	2.2
499.40384	1.5
507.29321	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75127	6.3
69.03425	19.3
69.07072	21.1
69.31973	42.1
69.32377	15.9
71.04971	7.9
79.05484	13.2
81.03399	8.4
81.07056	8.4
83.04989	47.8
85.02933	12.3
85.06562	8.8
91.05474	11.5
93.07046	17.6
95.04982	9.3
95.08653	6.2
97.06541	50.7
99.04449	10.4
103.05452	7.6
105.07035	37.0
107.04960	16.2
107.08577	18.1
109.06511	18.5
117.07024	14.4
119.04945	22.5
119.08575	20.2
121.06519	37.6
121.10194	9.8
125.06010	75.5
127.03938	11.6
131.08571	25.2
133.06476	15.3
133.10109	10.4
137.05977	17.5
139.07584	10.9
143.07047	45.6
143.08456	7.5
144.09319	7.0
145.06425	9.8
145.10149	76.5
147.04370	9.8
147.11650	8.2
151.07504	8.7
157.08623	19.0
158.07291	9.4
159.08051	10.9
159.11690	34.7
163.03922	6.0
163.07535	8.2
163.11208	36.7
167.07101	7.1
169.10129	15.5
173.09645	54.7
177.12761	22.8
187.11177	66.2
189.12766	13.8
191.10686	27.3
197.09581	10.5
205.12267	70.6
215.10695	100.0
223.13301	13.0
233.11748	88.5
241.37450	6.5
251.12796	59.3
269.13828	18.4
303.04675	8.4
304.05151	8.7
306.99997	6.2
317.06555	29.8
318.06870	44.4
369.15436	10.0
566.20386	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	566.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66408	4.0
55.05505	7.5
64.77172	4.2
67.05494	6.2
69.07053	17.8
69.61448	26.6
69.64028	4.5
77.14444	3.9
79.05472	17.6
81.07053	17.1
83.04995	56.3
91.05482	14.0
93.07086	25.5
93.07563	5.7
95.04969	15.0
95.08614	9.1
97.06531	40.4
99.04447	9.5
105.07024	37.2
107.04955	15.6
107.08606	15.0
109.06516	19.1
117.07000	8.7
119.04913	12.9
119.08595	8.8
121.06509	39.9
121.10172	4.0
125.06006	65.2
131.04887	4.8
131.08517	12.4
133.06485	5.3
135.11716	5.5
137.05995	20.6
139.07553	9.5
143.07039	45.0
143.08589	6.8
144.09402	4.7
145.06474	10.6
145.10129	78.5
147.11687	13.6
151.07544	5.8
155.08498	5.2
157.08621	17.1
158.07283	10.0
159.08089	5.3
159.11700	30.8
163.11172	60.5
167.06982	6.7
169.10049	9.6
170.85249	4.0
173.09636	73.7
177.12758	11.6
181.12183	14.7
187.11180	46.3
191.10631	16.6
197.09587	13.3
205.12286	44.7
209.11678	7.2
215.10689	71.6
216.81941	4.1
230.79837	4.4
233.09541	8.4
233.11732	100.0
251.12796	62.2
269.13791	7.7
351.14307	9.0
369.15204	9.0
392.93436	4.7
462.38797	4.9
566.42206	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54868	4.5
55.05511	6.7
66.04948	3.7
67.05477	5.3
69.03423	14.1
69.07076	35.0
70.14481	4.1
70.82716	12.5
71.04984	5.8
74.44148	4.2
79.05499	14.0
81.07048	7.3
83.04984	53.8
85.02908	5.8
91.05482	10.4
92.05656	3.8
93.07050	15.3
95.04971	10.2
95.08611	6.2
97.06532	55.9
99.04462	13.0
105.07038	42.9
107.08624	11.8
109.06532	14.9
112.99963	5.7
117.07022	7.8
119.08600	7.3
121.06528	31.1
125.04535	4.5
125.06006	100.0
126.80022	4.4
130.07861	4.9
131.08559	15.8
133.06528	8.5
133.10118	4.4
143.07053	87.6
143.08144	8.0
145.06487	10.0
145.10146	72.5
151.07588	15.8
155.08545	4.9
158.07262	12.6
159.08087	12.3
159.11694	30.7
163.11171	22.7
169.10175	12.4
173.09642	61.1
177.12758	12.0
183.94664	4.2
187.11209	58.1
191.10690	25.2
197.09541	8.7
205.12277	68.2
209.11755	10.0
215.10667	82.0
233.11755	68.1
236.08229	4.4
251.12794	36.2
297.56311	4.3
389.01382	4.5
407.87857	4.4
459.93634	4.6
486.74008	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	566.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06851	4.4
55.01867	4.8
55.05502	13.5
59.15698	4.5
67.05500	8.8
67.68900	4.8
69.03455	5.1
69.07056	17.8
69.86795	20.9
70.30223	4.5
76.13296	4.2
78.50106	4.4
79.05481	16.7
81.03454	4.8
81.07050	15.2
83.04982	30.7
83.08604	10.6
85.02916	6.5
91.05476	16.9
93.07034	17.2
95.04977	13.8
97.06532	29.5
98.09692	7.6
99.04465	11.0
100.11275	48.7
105.07028	33.3
107.04943	18.2
107.08602	9.4
107.86143	5.3
109.06535	15.1
114.09155	8.9
117.07018	11.5
118.03394	4.3
119.04950	10.3
119.08591	12.1
121.06544	24.3
125.05999	49.8
129.07004	6.4
131.08562	13.8
137.06007	15.4
139.07516	6.9
143.07053	29.0
143.08565	8.0
145.06470	7.5
145.10132	66.6
147.11646	7.3
151.07526	7.9
157.08578	10.0
159.11694	25.3
163.11200	56.4
169.10159	9.7
173.09656	56.1
177.12753	8.7
179.08383	4.5
181.12325	6.5
182.05434	4.8
182.15399	11.6
187.11191	46.5
189.12769	6.5
191.10690	17.0
196.16933	9.1
197.09642	12.5
205.12247	33.9
209.11674	7.9
209.16478	6.3
210.14943	10.9
213.19608	8.6
215.10695	65.6
223.13254	6.4
227.12856	6.3
233.11749	100.0
240.25826	4.4
251.12842	51.6
269.13748	6.9
287.05527	5.6
292.39780	4.9
336.22971	4.7
359.63538	4.8
369.15747	5.6
522.49805	5.1
548.41663	10.8
566.42798	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.5
55.01877	7.5
55.05513	21.8
57.03447	9.8
57.07081	31.7
60.45318	3.5
67.05507	55.3
67.15450	3.8
69.07060	21.9
69.30854	28.2
71.08629	20.2
74.90507	3.5
76.05926	4.1
79.05496	41.7
81.03419	32.5
81.07059	50.2
83.04996	8.1
83.08607	19.0
85.10188	10.9
91.05479	33.7
93.07047	44.4
95.04969	51.7
95.08615	36.3
96.08907	3.8
97.06566	8.5
97.10166	11.4
105.07027	37.5
107.04955	13.3
107.08603	31.6
109.02886	10.6
109.06538	7.5
109.10174	25.8
111.08088	4.6
117.07018	11.3
119.08578	37.9
121.06549	8.8
121.10139	29.1
123.04440	68.5
123.08052	7.8
123.11729	13.8
125.09647	5.8
128.06244	5.1
129.07018	12.1
131.08594	19.7
133.10150	27.1
135.08083	7.7
135.11699	19.0
137.09676	4.7
142.07764	11.2
143.08553	18.6
145.10126	43.0
147.08076	8.2
147.11720	18.1
149.09642	11.4
155.08600	8.9
156.09389	4.3
157.10089	19.0
159.11729	9.8
161.13289	5.2
163.11205	21.0
165.12843	4.4
167.08578	4.7
167.10678	8.9
169.10110	8.4
171.11659	19.2
173.09663	8.5
173.13324	12.0
175.11200	4.9
181.10017	5.2
183.11678	5.9
185.13222	8.1
187.14815	5.2
189.12720	19.3
194.11020	3.9
195.11780	4.9
197.13194	9.5
199.14697	4.4
207.11887	9.0
207.13850	15.0
209.13271	6.4
211.14804	8.4
215.14432	5.1
217.12286	13.8
221.13297	6.5
221.15462	7.6
231.79083	3.9
233.15372	7.1
235.13260	100.0
237.16374	4.2
239.23735	5.2
253.14357	4.5
265.19540	7.4
282.27859	5.7
309.16956	60.7
310.30853	6.8
313.27371	90.0
325.91013	4.1
340.43042	3.8
473.34711	5.2
547.39844	68.5
565.40497	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.5
53.03953	4.4
53.42265	0.4
55.01876	3.3
65.03944	5.8
67.05488	1.1
69.03419	1.3
75.04478	1.2
77.03921	1.9
78.04712	3.1
79.05496	6.5
81.03419	4.6
81.07031	1.6
82.04204	0.8
83.04962	0.7
85.02941	1.3
89.03909	2.2
91.05489	23.6
93.03387	1.8
93.07049	5.1
94.04195	1.2
95.04964	6.2
97.02888	0.5
97.06537	1.1
102.04707	1.0
103.05470	16.2
105.03409	3.0
105.04512	2.5
105.07043	8.5
106.04191	3.1
107.04958	11.9
108.05697	0.5
109.02876	1.2
109.06509	1.7
110.03652	2.0
111.04439	1.5
115.05468	10.5
116.06227	1.2
117.03371	1.7
117.07041	4.6
118.04168	1.4
119.04961	4.8
119.08562	1.7
120.05703	0.6
120.35191	0.5
121.06506	6.4
122.03658	3.3
123.04436	10.3
124.05212	4.0
125.05984	2.8
128.06206	0.8
129.07008	1.7
130.04118	0.9
131.04036	0.9
131.04936	9.5
132.05707	2.0
133.02864	29.0
133.06490	8.0
134.03613	1.3
135.04456	3.5
135.08038	0.8
136.05203	1.1
137.02332	0.7
137.05989	20.2
138.03110	0.7
139.03856	0.8
139.07570	1.1
143.04929	2.6
144.05708	2.2
145.02895	0.6
145.06494	8.0
146.03596	0.8
146.07256	1.4
147.04449	4.4
147.08055	2.8
148.05200	3.7
149.05986	9.4
150.06769	1.1
151.03918	6.8
151.07558	11.3
152.04691	2.2
153.05476	4.5
153.06706	0.8
154.06226	0.5
155.06020	2.1
155.07117	1.2
155.08485	0.5
156.05769	0.6
157.06499	0.7
158.79756	0.6
159.04384	1.0
159.08070	1.1
160.05229	2.1
161.06001	11.3
162.06798	0.7
163.03891	1.4
163.07538	6.1
165.05499	10.5
165.06898	1.0
166.07736	0.6
167.07050	100.0
168.07469	0.5
169.06480	0.8
171.04404	0.7
172.05159	0.7
173.05983	7.6
174.06805	1.1
175.04039	0.6
175.07578	5.8
176.04694	1.2
176.08322	0.9
177.05513	3.1
177.09123	3.1
179.03412	0.5
179.07021	2.2
179.08470	0.9
181.04977	23.1
181.06441	1.6
181.08565	0.9
182.05623	0.6
183.08095	0.5
184.05199	0.7
185.09644	0.6
187.07545	1.2
188.04715	0.5
188.08315	0.9
189.05493	2.0
189.09096	2.5
190.06221	1.2
191.07047	25.8
192.07727	0.5
193.04929	0.7
193.08675	3.2
194.22429	0.6
195.06526	1.1
195.08107	2.1
197.05997	1.6
198.06767	0.9
199.07632	1.1
201.05458	1.3
201.09163	0.6
203.07066	6.0
204.07838	0.7
205.06654	0.8
205.08618	4.7
206.07426	0.8
207.06557	1.7
207.10152	1.2
209.06087	1.1
209.07974	0.8
210.06696	0.7
211.07535	1.9
212.08299	0.6
213.09088	2.2
215.07094	0.7
217.08519	2.8
218.07318	0.7
219.06561	1.7
219.10033	0.8
220.07181	0.7
221.06053	0.8
221.08031	1.1
223.07549	4.1
224.08195	1.1
225.05595	1.2
225.09163	2.2
226.06253	2.1
227.07050	2.3
227.10710	1.0
229.08673	0.8
231.06454	1.0
233.06013	0.7
233.07977	3.9
234.06688	0.9
235.07544	1.1
235.09665	7.8
237.09137	1.0
240.07872	2.3
241.08589	6.1
242.09395	1.4
243.06593	0.8
243.10210	0.7
247.07535	1.1
249.05420	0.6
249.09113	1.0
251.07037	1.0
251.10683	0.6
252.07817	0.9
253.08553	1.2
255.06551	0.9
255.10168	6.4
256.11014	2.4
257.08163	1.0
257.11755	0.7
260.91730	0.5
261.09106	1.6
263.07001	1.2
264.07956	0.7
265.08670	1.2
267.06543	0.7
267.10199	0.8
269.08096	1.9
270.08881	0.9
276.07776	0.9
277.08539	1.4
278.09290	1.2
279.10199	1.5
280.07297	0.6
283.09671	1.4
287.12793	4.5
291.06613	0.9
291.10114	1.2
293.08316	0.8
293.11752	1.8
294.09131	0.9
294.74960	0.6
295.09726	1.3
297.11197	0.7
298.08368	0.8
299.09213	1.1
301.10736	1.6
305.08157	1.0
307.09653	1.8
308.06863	0.6
309.11230	1.1
313.10825	1.8
314.11600	0.8
315.12247	4.2
319.09537	1.1
321.11230	0.7
322.12152	0.7
323.09323	1.0
325.10693	1.7
327.12509	1.0
329.10229	17.4
335.08990	0.8
335.12714	0.6
337.10724	2.0
339.12308	1.6
343.11923	1.4
351.12347	1.1
353.10040	0.8
353.14105	2.9
355.11810	1.0
356.12964	0.7
357.13379	2.3
365.13986	1.2
367.11801	0.9
369.13403	1.6
370.14380	1.1
371.14844	1.3
381.13397	5.9
382.14236	1.2
383.15222	2.3
385.12976	6.7
393.13000	0.7
397.12723	0.7
399.14462	0.9
411.14337	1.7
415.15195	0.7
441.15210	1.0
473.16415	0.7
505.18576	1.3
517.18585	0.7
533.18109	0.7
535.19788	6.6
547.19574	1.4
565.20685	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	565.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.8
51.02374	1.3
53.03946	3.3
55.01878	2.9
63.01070	0.4
63.02349	0.5
65.03936	4.9
66.04727	0.5
67.05491	1.4
67.95850	0.4
68.94825	0.4
69.03413	1.4
69.48027	2.4
69.48436	0.8
75.04461	0.5
77.03929	2.2
78.04703	4.7
79.05502	5.7
81.03419	4.7
81.07060	1.0
82.04194	0.6
83.04967	0.6
85.02908	2.1
89.03906	2.2
91.05485	24.0
92.02692	0.5
93.03408	1.7
93.07052	5.1
94.04156	1.8
95.01337	0.7
95.04387	0.6
95.04971	6.9
97.02838	0.6
97.06514	1.4
98.20812	1.1
102.04673	1.2
103.05471	15.6
104.06210	0.4
105.03402	2.8
105.04498	2.6
105.07039	8.3
106.04176	2.3
107.04963	10.8
107.08585	0.7
108.05750	0.8
109.02834	0.5
109.06525	1.7
110.02962	0.4
110.03633	2.4
111.04434	1.8
111.10374	0.4
115.04714	0.6
115.05467	9.6
116.06258	0.7
117.03384	2.7
117.07026	6.6
118.04137	1.7
119.04949	5.1
119.08619	0.9
120.05713	0.6
121.02903	0.8
121.06503	7.4
122.03668	3.6
123.03589	0.6
123.04438	9.0
124.05222	4.1
125.06002	2.7
127.05442	0.7
128.06218	1.4
129.06992	1.4
130.04147	1.0
131.04935	9.4
131.08589	0.8
132.05702	2.1
133.02859	27.8
133.06482	8.2
134.03607	1.3
135.04425	2.9
135.08102	0.8
136.05190	0.6
137.02475	0.5
137.05981	23.1
138.03087	1.1
139.03920	1.0
139.07542	0.8
140.04709	0.6
141.07001	0.9
142.02660	1.0
143.04953	2.7
143.05952	0.7
144.05707	2.1
145.02831	1.7
145.06494	8.0
146.03580	1.0
146.07251	1.1
147.04439	2.9
147.05363	0.5
147.08028	2.8
148.05186	2.6
149.05980	8.6
150.06714	0.4
151.03920	7.0
151.07544	12.5
152.04712	2.9
152.05902	0.4
153.05453	4.6
153.06822	0.7
155.04919	0.9
155.06035	2.6
155.07114	0.8
156.05740	0.9
157.06537	1.0
158.07301	0.8
158.94821	0.4
159.04410	1.4
159.08046	1.2
160.05177	2.3
161.05994	10.3
162.06779	0.7
163.03929	3.0
163.07562	5.4
163.11211	0.4
165.05505	7.5
165.06993	1.2
167.07045	100.0
168.07535	0.6
169.06477	1.2
171.04449	0.5
171.08034	0.6
172.05177	0.8
173.05994	7.5
174.06770	1.3
175.03900	1.0
175.07547	5.1
176.04684	1.4
176.08382	0.7
177.05496	5.3
177.09116	2.0
178.06204	0.5
179.07100	2.5
179.08481	0.7
180.07861	0.5
181.04973	24.3
181.06474	1.6
181.08536	1.0
182.05783	0.6
182.07297	0.8
183.06566	0.6
183.08025	1.1
184.05211	0.6
185.06032	0.7
187.07530	1.4
188.04678	0.6
188.08348	1.1
189.05481	1.5
189.09068	2.4
190.06276	1.4
191.07031	26.4
192.07828	0.7
193.04932	1.0
193.06703	0.9
193.08559	3.4
195.06491	0.8
195.08008	2.3
196.05302	0.6
196.08897	0.6
197.05960	1.8
197.07793	0.5
198.06749	1.9
199.07556	1.0
201.05544	1.7
201.09145	1.1
203.07050	4.9
204.07713	0.7
205.04755	0.5
205.06677	0.7
205.08617	4.1
206.07358	0.5
207.06558	1.8
207.10199	1.8
207.13480	0.5
209.06035	1.0
209.08093	1.2
210.06718	1.0
211.07579	2.5
212.08339	2.0
213.05566	0.7
213.09155	1.9
215.07031	0.9
217.08606	2.5
218.07370	0.7
219.06372	1.1
219.08128	1.1
219.10048	0.7
221.06120	0.9
221.08107	1.6
222.06693	0.8
223.07547	5.3
224.08386	1.5
225.05521	1.1
225.09070	1.7
226.06247	1.8
227.07019	2.0
227.10651	1.0
228.07726	0.6
229.08517	0.7
231.06538	1.5
233.05881	0.8
233.07959	4.4
234.06778	1.2
235.07484	1.3
235.09612	8.6
236.08369	1.0
237.09177	1.2
239.07042	0.9
240.07767	2.5
241.08600	5.3
242.09390	1.2
243.06519	0.8
243.10120	0.9
246.06767	0.9
247.07541	1.5
247.09854	0.6
248.08434	0.8
249.05525	0.6
249.09138	1.2
250.06226	0.9
251.07120	1.2
251.10625	0.6
252.07770	0.8
253.08621	1.4
254.09482	0.5
255.06506	1.1
255.10181	5.8
256.10962	1.7
257.08078	1.7
257.11789	0.7
261.09207	1.5
263.06915	1.0
264.07819	1.1
265.08588	1.9
267.06610	0.5
267.10104	1.5
268.07474	0.5
269.08124	1.6
270.08813	0.7
271.09659	0.8
273.11441	0.8
277.08603	1.2
278.09311	0.7
279.06546	1.3
279.10263	1.7
281.11716	0.7
283.09680	1.8
285.11273	0.6
286.08624	0.6
287.12744	5.0
289.08478	0.7
291.10181	1.3
292.07394	0.6
292.10913	0.6
293.08075	1.3
293.11798	1.5
294.09213	0.6
295.09668	1.9
297.08047	0.6
297.11285	1.6
299.09164	1.0
301.10797	1.5
305.07962	0.7
307.09659	1.9
308.10388	0.7
309.11151	1.2
311.09320	0.9
313.10703	1.9
315.12225	4.1
319.09537	0.7
320.10513	0.6
321.07770	0.6
321.11264	1.6
322.08417	0.9
322.12036	0.9
323.09116	1.6
323.12665	1.0
325.10843	1.1
327.12326	0.9
329.10211	17.9
333.11227	0.7
337.10773	2.0
339.12350	1.3
340.12903	0.6
341.13876	0.5
343.11789	1.7
349.10736	0.6
351.12167	0.6
353.10101	0.9
353.13931	2.2
355.11963	2.6
357.13336	1.4
363.12604	0.6
365.09955	0.7
365.14191	0.6
367.11792	0.8
369.13248	1.4
370.14172	0.7
371.15189	1.0
381.13324	6.0
382.14169	0.8
383.14990	1.8
385.12885	6.8
393.13162	0.6
397.12970	1.6
399.14600	0.9
411.14383	2.3
415.14890	1.2
436.80478	0.5
485.16071	0.6
503.17114	0.7
505.18570	1.2
507.20386	0.7
515.16565	0.6
517.18176	0.5
533.18219	1.3
535.19489	6.2
547.19550	1.8
550.18420	0.6
565.20673	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31007	5.8
56.50377	6.9
56.69727	6.4
65.53576	6.2
71.04078	5.9
71.49205	10.3
79.05486	7.7
81.03432	7.7
81.07059	11.1
85.02908	11.1
91.05461	15.6
95.04955	19.1
95.08580	12.1
97.06560	6.2
103.05463	8.8
106.76057	8.3
107.04963	17.1
115.05495	6.7
117.03403	11.0
117.22814	6.9
119.08630	10.1
127.03909	8.2
131.04979	11.1
135.04422	11.1
137.05966	100.0
143.08618	8.0
145.02861	29.7
145.06474	7.8
147.04407	18.4
149.05960	11.3
151.03928	54.5
161.05966	9.3
163.03879	20.3
163.07642	7.3
165.05519	10.0
167.07047	32.9
173.05943	14.1
177.05505	73.3
181.04997	15.5
195.20709	6.8
205.08636	13.0
241.26047	7.1
355.11841	8.2
385.12527	10.4
386.13678	41.3
387.14459	22.6
413.83304	7.3
523.66638	6.8
533.17993	7.0
565.20258	27.7
581.93793	8.4
592.50330	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01879	47.4
57.03438	1.2
61.02911	1.1
65.03954	3.7
67.05499	1.8
69.03435	7.9
71.19232	2.3
73.02925	1.1
79.05500	3.8
81.03427	3.7
85.02911	13.1
87.04445	1.3
91.05491	4.9
93.03429	2.1
94.04200	4.4
95.04972	2.2
97.02923	6.0
97.06571	1.3
99.04490	1.7
103.05477	17.9
105.07032	3.3
107.04970	8.9
110.03687	1.5
115.05485	5.5
117.07053	5.0
118.65041	1.3
119.04979	3.7
121.06522	5.7
122.03678	6.3
123.04443	2.5
125.06019	4.0
127.03928	1.5
131.04939	38.8
133.06534	3.1
135.08066	1.5
137.05992	100.0
142.02704	1.7
145.04956	1.2
145.06488	10.3
147.04439	3.6
148.05212	1.2
149.05992	5.0
151.03920	18.7
151.05029	1.5
153.05537	4.2
154.06271	1.2
155.05981	2.0
155.07054	3.4
159.04381	5.5
161.05952	5.4
163.03885	1.5
163.07555	15.8
167.07060	35.2
171.06599	2.5
172.05199	1.7
173.06007	11.1
175.03957	3.7
175.07613	3.2
176.04733	2.0
177.05496	16.5
179.07056	6.9
181.04970	74.8
189.05478	4.9
190.06218	1.8
191.07059	20.4
194.05798	4.7
196.07346	1.2
201.05547	1.8
205.08661	5.0
207.06563	6.9
208.07404	4.3
209.08107	9.0
218.05774	1.2
219.06563	14.7
221.08076	7.0
222.08963	1.9
223.06015	1.5
223.09650	9.3
233.08046	8.2
249.07750	2.1
251.09180	66.5
253.09488	1.3
263.07080	1.9
289.10736	28.2
317.06616	1.4
339.09515	1.4
343.11929	1.4
359.50385	1.3
373.12897	9.8
385.12750	3.1
403.13928	50.0
435.33481	1.1
461.58908	1.2
515.12677	2.8
565.19171	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	565.1193
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03952	2.3
55.01853	1.6
55.97396	0.3
57.03428	1.5
61.02920	1.1
68.99788	1.0
69.03439	6.4
70.64535	1.2
71.04967	1.0
73.02904	1.2
74.82313	0.3
75.97046	0.3
81.02936	0.6
81.03419	9.2
83.01315	0.4
85.02914	11.8
87.00838	5.1
88.29255	0.4
91.03933	0.5
92.02620	0.8
93.03391	0.8
97.02899	4.5
99.04485	2.8
102.60093	0.3
105.01878	3.1
109.02892	7.0
116.10524	0.4
117.01844	1.5
121.02894	1.0
127.03924	9.0
129.01848	0.8
134.69736	0.4
137.06013	0.8
139.03906	1.1
145.04987	2.4
145.19124	0.3
147.02866	0.6
151.03856	0.8
153.01837	5.8
159.02917	4.2
163.03952	0.4
165.01912	0.3
167.07042	0.4
177.05463	0.6
201.05507	0.7
210.14796	0.4
213.03986	0.4
215.21214	0.3
217.05116	0.6
217.55078	0.4
218.05710	0.6
219.02902	0.4
228.04250	1.3
229.04955	2.9
231.04996	1.3
237.49693	0.4
245.04506	1.0
246.05252	1.8
257.04492	2.3
260.03177	0.4
273.04071	1.8
274.04739	2.9
284.03476	0.5
285.03903	4.3
287.05536	0.4
302.04236	11.9
317.06583	100.0
318.06903	1.3
565.22467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
54.10118	1.0
55.05514	5.8
57.03430	3.6
57.07074	2.9
61.02927	6.7
65.03931	1.3
67.05505	13.9
69.03432	14.3
69.07069	13.9
71.04987	1.8
73.02909	3.0
74.09700	1.7
77.10589	0.9
79.05499	13.9
81.03416	6.0
81.07056	100.0
83.08622	3.1
85.02907	78.3
86.18896	1.2
87.04462	2.5
91.03940	3.6
91.05476	5.0
93.07045	30.1
95.04979	1.1
95.08611	40.4
97.02895	20.9
97.10158	3.3
98.21535	2.6
98.86385	1.1
99.04450	2.6
104.10755	1.4
105.07037	3.7
107.08587	16.8
109.02896	6.2
109.10167	23.2
111.11713	2.4
119.08575	2.0
121.10143	43.7
123.11709	10.6
127.03925	22.3
135.11694	11.9
137.13239	7.4
145.04965	48.5
149.13257	22.6
163.06020	21.7
163.14876	1.8
205.19516	10.3
325.11404	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	564.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.8
55.05514	16.5
56.05728	2.6
57.03440	14.2
57.07071	3.6
64.39342	2.6
65.03943	3.8
67.05511	70.0
69.07075	22.2
71.05012	4.7
71.50523	4.0
79.05502	41.4
81.07063	80.2
83.04981	6.3
83.08633	13.6
89.06055	2.5
91.05483	21.1
91.67316	2.6
93.07055	65.6
94.09213	2.5
95.04983	5.8
95.08619	41.2
97.06535	10.4
97.10202	3.2
97.32347	2.4
99.08085	2.9
100.56764	2.6
105.07052	18.4
107.08592	39.5
109.06533	3.8
109.10172	13.7
111.08080	4.3
117.07024	5.6
119.08575	10.7
121.10152	25.1
123.11733	5.1
131.08598	10.7
133.10153	13.8
135.08067	3.6
135.11707	15.6
145.10156	5.4
147.11703	8.2
147.96306	2.6
149.13260	33.5
159.11769	13.1
173.13261	4.5
175.11198	8.9
177.12776	30.7
191.10948	2.5
195.13821	11.4
197.41673	2.4
207.13788	3.2
219.13869	25.3
241.12306	2.9
242.69611	2.3
261.22177	11.7
267.58524	2.5
269.17496	75.8
272.25598	2.9
273.18973	3.0
285.05231	3.1
327.19547	10.4
335.25824	85.0
529.38898	100.0
533.69562	2.6
564.26941	5.8
564.39520	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	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39396	1.4
53.03933	4.6
55.01881	2.7
55.05516	19.9
57.03436	9.3
57.07071	3.1
65.03914	2.4
66.23412	1.4
67.05507	71.1
69.03426	1.7
69.07067	21.6
71.04985	4.8
71.26220	1.4
71.50729	2.4
79.05498	42.3
79.05965	2.0
80.03687	1.4
81.03410	4.4
81.07060	100.0
83.04970	5.1
83.08629	11.4
85.06538	5.9
91.05492	37.8
92.62045	1.5
93.06487	2.6
93.07049	39.7
95.04954	4.9
95.08609	46.8
97.06524	7.0
97.10182	4.5
99.08112	3.3
103.05566	1.6
105.07041	34.9
107.08596	26.8
109.06551	8.0
109.09467	2.3
109.10163	22.9
111.08067	3.2
117.06998	4.9
119.08590	31.9
121.10152	30.5
123.08077	3.6
123.11726	24.6
127.07526	2.6
129.07018	2.8
131.08556	15.5
133.10143	14.2
135.08006	1.4
135.11671	14.2
137.09668	1.9
137.13254	3.4
143.08551	2.2
145.10162	10.8
147.11699	48.1
149.09709	3.0
149.13292	9.7
151.11070	2.4
157.08975	1.6
157.10132	5.0
159.11711	7.5
161.13263	6.9
163.11142	1.8
163.14760	4.0
165.12755	19.8
165.13988	2.1
169.10104	2.1
171.11693	1.6
173.13234	6.2
175.11168	3.3
175.14856	4.5
177.16327	1.5
181.12199	1.7
183.13887	1.9
185.13286	2.0
187.14906	2.5
227.12694	2.2
229.14357	6.2
243.21103	7.3
255.70593	1.5
261.22180	29.8
267.15897	27.7
279.23218	4.8
285.16974	32.2
289.21756	1.9
317.24707	6.4
335.25803	32.0
353.26776	2.6
435.32013	1.9
453.33640	5.6
471.34515	5.5
527.37445	10.1
545.38391	24.8
563.38995	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	563.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01871	11.1
55.05521	35.7
57.03429	10.6
57.07074	3.5
63.45920	3.7
65.03947	6.8
67.05139	5.0
67.05511	98.5
69.03460	3.1
69.07080	25.9
71.05012	6.6
75.22495	3.6
77.27019	3.7
79.05495	51.3
81.03432	15.5
81.07060	100.0
83.04984	14.4
83.08623	25.7
85.02888	4.8
85.06584	3.1
91.05495	49.2
93.07046	63.1
95.04986	18.4
95.08619	58.0
96.51746	3.0
97.06557	8.1
97.10165	16.0
97.42236	3.4
98.20722	5.5
105.07049	38.6
106.07447	3.3
107.04943	4.0
107.08599	43.7
109.06518	8.6
109.10172	32.7
111.04443	6.1
111.08082	11.4
111.09154	2.8
117.07034	18.4
119.08585	42.9
121.10163	27.2
123.08065	3.9
123.11714	18.9
125.09630	9.9
129.07028	10.2
131.08586	29.3
133.10155	36.1
135.11714	27.2
137.09630	4.9
137.13268	6.3
143.08556	9.4
145.10133	25.0
147.11662	20.9
149.09613	4.9
149.13246	14.0
153.12767	4.7
155.08546	4.2
157.10176	14.6
159.11716	13.9
161.09654	4.2
161.13271	8.5
163.11261	5.1
169.10159	9.7
171.11739	9.7
173.13266	10.1
175.11221	5.4
181.12355	4.6
183.11711	6.2
185.13225	4.1
187.14812	6.9
189.11247	6.4
191.10724	4.2
193.12282	19.9
197.13385	4.6
199.14882	5.9
209.11667	3.5
211.13283	32.1
211.14957	3.5
227.12796	9.4
229.14355	3.7
243.21118	4.4
261.22122	19.1
267.15939	4.0
279.23187	3.9
285.17047	8.6
285.22147	3.5
297.22238	3.6
303.23294	7.5
304.15891	3.2
317.24783	5.2
335.25742	18.8
417.31122	3.8
435.32697	7.2
453.33521	13.4
471.34512	11.4
483.35764	3.0
487.34302	5.0
527.37354	35.4
545.38348	66.4
563.39435	39.0
564.39838	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	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
53.80991	3.2
55.01863	10.3
55.05512	40.0
57.03438	10.2
57.07056	4.7
65.03934	6.7
67.05509	99.2
69.03421	5.6
69.07061	23.0
69.31984	3.5
71.02390	8.2
71.04987	6.6
79.05500	63.9
81.03432	29.0
81.07061	100.0
81.20868	3.0
82.81155	3.4
83.04984	13.1
83.08613	24.7
85.02927	7.2
85.06535	5.3
91.05485	51.0
93.06497	5.5
93.07053	69.2
95.04998	17.1
95.08613	79.1
97.06540	11.0
97.10185	16.4
99.08106	3.8
105.07041	57.2
107.08606	47.0
109.06524	7.9
109.10168	37.3
111.04440	6.6
111.08080	11.7
117.07024	16.1
119.08584	41.7
121.10137	25.6
123.08038	7.3
123.11723	10.2
125.09589	17.0
129.06993	13.1
131.08572	41.6
133.06471	3.6
133.10120	28.7
135.08063	4.0
135.11690	27.7
137.09612	5.7
137.13297	5.3
141.07121	4.6
143.08589	11.9
145.10124	30.8
147.08070	4.1
147.11668	25.4
149.09636	5.4
149.13251	11.7
150.32716	3.6
153.12744	3.7
155.08516	8.3
157.10130	15.2
159.11719	17.0
161.13222	5.8
163.11183	4.9
163.14780	4.5
169.10172	6.4
171.11696	9.6
173.11893	4.1
173.13193	18.4
175.11273	6.4
175.14848	5.1
181.12193	7.9
185.13319	7.9
187.14877	8.0
189.11238	8.0
193.12256	19.4
197.13348	5.9
199.14815	5.8
211.13266	33.5
211.14975	4.7
227.12811	9.9
229.14308	7.2
244.44902	3.9
261.22171	15.9
279.23245	7.4
285.17026	14.5
285.22086	4.4
299.23730	5.8
301.25189	6.9
303.23178	10.1
317.24838	8.2
335.25983	20.5
435.32605	12.1
453.33734	21.1
471.34976	18.7
473.32550	6.6
489.36292	4.7
527.37457	28.8
545.38275	75.1
563.39514	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	563.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
54.05571	1.7
55.01868	4.0
55.05512	20.6
57.03439	9.0
57.07078	2.9
57.65299	1.7
65.03941	2.9
67.05508	58.1
69.07077	19.0
69.45425	5.5
69.45848	5.7
71.04979	3.5
71.08601	2.0
79.05032	2.4
79.05493	37.6
81.03410	2.1
81.07058	100.0
82.20393	1.7
83.04963	4.8
83.08617	10.6
85.06554	8.4
91.05483	30.7
93.06494	2.9
93.07047	41.8
94.07382	1.8
95.04960	4.9
95.08615	44.6
96.57944	1.5
97.06516	5.7
97.10175	2.9
97.48938	1.5
99.08059	4.0
105.07037	37.8
107.08598	27.0
109.06519	5.3
109.09477	2.4
109.10158	22.5
111.08061	3.0
112.86315	1.5
117.07013	5.9
119.08591	28.6
121.09354	2.4
121.10161	26.8
121.71346	1.5
123.08060	3.8
123.11715	25.2
124.65764	1.4
125.09644	2.9
129.06955	2.2
131.08582	11.2
133.10143	10.5
135.08058	1.8
135.11700	9.0
137.09631	2.0
137.13255	6.2
141.32681	1.5
143.08684	2.4
144.04692	1.8
145.10146	9.7
147.08009	2.0
147.11696	44.5
149.09616	3.5
149.13248	7.2
151.11113	2.3
157.10114	2.2
159.11713	8.4
161.13268	4.5
163.11140	2.7
163.14803	4.0
165.12750	24.1
171.11609	2.0
173.13257	8.4
175.11194	2.7
175.14896	2.3
183.13882	3.4
185.13284	1.7
187.14755	2.7
188.36591	1.6
193.12285	3.2
229.14359	6.9
243.21117	5.0
261.22119	27.5
267.15933	35.3
279.23218	5.7
285.16977	35.8
317.24713	9.6
335.25818	36.6
353.26758	3.3
453.33502	4.2
471.34372	4.3
514.05054	1.9
527.37085	6.0
545.38361	21.2
563.39172	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
55.01860	9.1
55.05510	40.4
57.03427	10.7
57.07070	2.8
65.03922	5.1
67.05508	95.2
69.03425	3.0
69.07071	26.1
69.46185	7.8
69.46590	13.8
71.04984	6.7
79.05499	62.6
81.03426	27.5
81.07056	100.0
83.04977	21.8
83.08628	21.3
85.02908	10.1
85.06510	5.1
86.64006	2.9
91.05476	56.4
93.07043	64.7
95.04978	22.2
95.08610	73.1
97.06523	8.4
97.10168	23.6
98.20823	3.4
99.08086	3.8
105.07043	47.4
107.04961	5.9
107.08607	33.8
109.06505	6.6
109.10158	39.0
111.04448	8.9
111.08085	8.5
117.07003	18.4
119.08576	39.0
121.06516	3.9
121.10159	29.8
123.08052	7.5
123.11727	17.1
123.12476	3.3
125.09605	15.5
129.06985	11.1
131.08575	32.9
133.10149	28.8
135.08031	3.3
135.11687	19.4
137.09593	5.4
137.13292	4.6
141.07045	4.3
142.07813	4.2
143.08551	8.4
145.10138	24.1
147.08015	3.8
147.11717	27.0
149.09608	5.6
149.13292	7.3
153.12761	4.3
155.08568	6.8
157.10106	16.1
159.11662	18.2
161.13254	11.4
163.11214	4.1
165.12735	6.2
169.10138	5.8
171.11696	9.9
173.13251	12.4
175.11139	10.9
175.14830	4.8
181.12212	7.4
183.11681	5.0
185.13251	6.9
187.14835	8.0
189.11179	6.1
193.12283	32.8
197.13284	4.7
211.13235	33.1
223.14896	3.1
227.12708	11.3
261.22162	22.5
278.36349	3.2
279.23199	5.8
283.15607	5.7
283.18869	3.2
285.16949	19.2
285.22089	6.6
299.23923	4.0
301.25314	5.3
303.23157	8.6
317.24860	7.0
335.25964	18.4
348.89917	3.2
359.25623	3.6
377.26816	3.3
435.32547	9.1
453.33398	16.5
471.34668	15.4
489.35916	4.2
509.35840	5.2
527.37415	29.6
541.25720	3.3
545.38385	82.3
563.39404	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	563.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83501	0.5
57.85666	0.5
66.76680	0.5
69.27778	4.5
73.28714	0.5
74.36494	0.6
84.01874	0.5
93.43134	0.5
95.01093	1.0
107.04958	1.7
111.45326	0.5
112.01356	0.7
113.02096	0.8
121.02853	1.2
123.04485	0.8
137.02376	0.6
137.05981	0.8
147.04474	0.8
159.04216	1.2
163.03966	0.7
163.07581	0.9
185.04265	2.7
189.05455	0.6
201.03758	1.5
202.06114	0.8
203.05287	6.0
203.06975	0.9
204.07649	2.5
287.05515	5.8
305.83975	0.5
311.05539	10.6
311.08969	0.8
327.08386	0.5
339.08627	10.2
341.10373	1.8
353.13754	1.1
365.12201	0.6
366.12793	0.8
367.82925	0.6
383.11249	24.9
384.11877	0.7
401.12329	44.3
402.12714	1.4
417.11899	2.0
548.51752	0.6
563.21051	100.0
564.21289	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01876	7.7
55.05516	35.5
57.03434	12.6
57.07070	6.0
59.05011	2.7
65.03922	4.2
67.05505	95.2
69.03415	5.5
69.07073	26.5
70.75420	6.6
71.05003	4.9
79.05492	55.4
81.03425	31.2
81.07055	100.0
83.04974	11.2
83.08624	24.6
85.02887	11.5
85.06553	3.2
91.05475	45.7
93.07047	62.3
95.04980	16.6
95.08609	69.5
96.08875	3.0
97.06532	10.7
97.10157	16.8
99.08062	6.0
105.07036	54.9
107.04977	3.7
107.08595	43.9
109.06511	6.3
109.10157	34.6
111.04457	9.2
111.08082	9.8
115.05462	3.2
117.07010	14.3
119.08575	48.1
121.06537	7.1
121.10143	34.8
123.08070	6.9
123.11732	15.4
125.09631	12.0
129.07004	12.3
131.08595	30.2
133.10133	31.0
135.08063	6.3
135.11674	21.7
137.09590	3.6
137.13199	3.4
139.11186	3.3
141.06981	3.5
143.08571	7.2
145.10118	22.7
147.08018	3.8
147.11684	24.9
149.09631	7.7
149.13243	14.3
151.11194	3.5
153.12723	6.5
155.08549	4.5
155.10657	3.0
157.10155	15.5
159.11722	16.8
161.13254	11.1
163.11211	8.2
169.10211	4.7
170.64565	3.1
171.11699	8.5
173.13271	7.9
175.11194	7.6
175.14803	5.0
177.12679	4.0
181.10237	2.9
181.12212	8.9
183.11668	4.9
185.13326	6.7
187.13321	3.2
187.14864	8.9
189.11269	4.0
189.12781	3.1
191.10722	6.0
193.12286	29.2
195.11771	3.4
197.13239	3.5
199.14859	5.1
207.11777	3.1
209.13393	3.3
211.13278	38.7
227.12721	11.5
229.14386	5.9
243.21024	4.5
261.22101	26.2
267.15900	3.8
277.21817	5.0
279.23257	3.6
283.15430	3.9
285.17010	14.1
285.22192	5.3
301.25241	4.3
303.23196	6.9
317.24545	6.5
335.25787	29.0
435.32455	11.0
453.33636	13.8
460.11993	3.4
471.34509	11.2
487.34482	3.2
527.37256	27.5
545.38391	87.1
563.39545	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26245	1.7
53.03947	2.6
55.01873	4.3
65.03937	2.3
67.05538	1.6
68.99792	9.0
71.49396	3.0
74.85413	1.8
79.05508	3.7
81.03422	2.9
83.04987	1.6
83.74746	1.7
85.02899	2.7
91.05479	6.6
93.02736	1.6
95.04955	5.2
97.02914	2.8
105.07038	2.5
107.04968	100.0
109.02890	2.9
111.00770	5.1
111.04452	4.3
115.05502	2.3
119.04128	2.9
119.04955	57.3
121.02890	11.9
123.04444	49.1
127.03886	5.5
128.74249	1.8
131.04974	2.1
133.02992	1.5
133.06491	6.8
135.04410	5.0
137.02373	3.3
137.05989	3.8
139.03920	36.1
145.06555	11.5
147.03244	4.0
147.04411	68.3
149.02324	10.8
151.03926	23.4
153.01837	3.1
157.06491	5.1
161.06001	8.1
163.03888	14.8
165.05519	11.9
165.06851	2.9
167.03455	14.6
169.06454	3.8
171.04410	11.0
171.08066	2.4
175.03879	7.3
177.05463	3.4
179.03403	20.2
181.06451	3.7
185.05969	5.6
187.03960	3.7
187.07489	4.0
189.05495	13.1
191.03427	21.6
192.22388	1.6
193.04982	6.0
197.06024	3.2
199.07487	2.7
201.05447	4.8
203.03397	13.9
205.04948	4.4
206.65314	1.6
207.06424	3.2
213.05533	6.1
215.06950	4.2
217.05032	3.5
227.07040	5.4
229.04968	6.1
231.06541	39.6
233.04482	7.2
239.07028	4.9
241.04951	3.1
243.06584	18.7
245.04529	15.2
245.08159	5.0
251.05441	3.1
255.06561	17.6
257.04483	21.2
257.08191	2.4
258.05124	2.3
259.06000	2.9
267.06500	11.6
269.04501	5.1
271.06036	5.5
273.07590	32.8
275.05493	24.5
285.07590	34.2
287.05518	46.7
291.08612	16.0
299.05588	8.0
303.08685	3.9
311.05515	2.8
325.07510	2.0
393.09738	26.2
395.10977	2.2
409.09171	13.3
411.10757	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	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.4
53.03942	6.7
53.20050	1.1
55.01883	4.0
55.05518	27.2
57.03439	3.8
57.07067	1.7
59.04988	1.7
65.03941	5.1
67.05508	95.5
69.03424	1.7
69.07073	20.1
69.55685	8.1
71.04997	57.1
77.03934	1.6
79.05497	67.4
81.03432	1.9
81.07059	100.0
83.04995	11.3
83.08630	11.3
85.06561	5.9
89.67886	1.2
91.04904	2.8
91.05486	68.1
93.07047	69.3
95.04964	9.8
95.08611	43.5
95.45073	1.1
97.06552	11.1
97.10187	3.6
98.20863	2.4
99.08105	2.5
105.04562	2.6
105.06319	2.0
105.07034	39.2
105.07689	2.6
107.04969	1.9
107.08599	40.7
108.54354	1.2
109.06545	4.4
109.10168	19.6
111.08131	4.4
115.05457	1.4
117.07029	12.7
119.08579	17.7
119.09356	1.5
121.10151	27.3
123.08101	2.4
123.11714	18.3
125.09650	2.5
129.07028	2.3
131.08588	18.5
131.09535	1.4
133.10136	34.2
133.11090	1.7
135.08089	1.6
135.11705	15.7
137.09601	1.3
139.11217	1.6
143.08641	2.2
145.10143	9.8
147.11681	7.6
149.09595	1.5
149.13272	12.5
151.11203	14.5
155.08611	1.4
157.10162	3.4
159.11676	13.4
161.13264	6.2
163.14842	2.0
169.10135	1.7
171.11746	3.5
173.13269	6.1
175.14873	3.7
177.12793	3.8
179.14351	2.3
183.13814	14.3
183.15092	1.2
185.13278	2.9
187.13341	3.6
187.14812	2.7
193.12309	1.5
195.12262	1.5
195.13814	8.2
197.13300	2.1
213.14716	1.7
233.19182	1.5
253.18129	2.2
257.17529	1.6
259.20825	1.6
261.22165	6.3
269.17676	2.6
275.20233	1.5
283.19183	3.3
285.17056	4.7
317.24591	2.0
327.23117	1.6
335.26099	1.2
349.27588	1.4
361.27710	2.8
363.25388	3.7
437.34402	2.8
451.32758	1.4
455.35413	1.5
511.38196	2.2
517.39032	22.3
529.38916	23.2
543.37396	1.6
561.41614	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.05519	15.6
57.03440	16.3
62.54367	2.2
67.05505	17.3
69.03430	3.8
69.07062	6.8
70.75876	8.0
71.04999	4.6
74.09753	3.5
79.05505	18.1
79.11426	2.6
81.03423	93.8
81.07065	22.1
83.04977	10.3
83.08620	21.8
84.70890	2.4
85.02892	10.2
91.05489	21.5
91.08905	2.4
93.07074	12.9
95.04967	24.4
95.08599	9.9
97.06556	3.6
97.10180	3.6
105.07048	18.6
107.04974	5.9
107.08597	8.8
109.00121	2.9
109.06479	4.0
109.10098	3.3
111.08076	8.1
117.07020	4.2
119.08606	16.3
121.06512	3.4
121.10137	8.6
123.08048	4.4
129.06999	12.9
131.08562	11.3
133.06548	3.7
133.10106	7.9
142.07828	3.6
147.08096	3.5
147.11702	12.3
149.09671	6.2
157.10141	13.5
165.12827	3.3
175.11203	11.3
193.12241	32.3
211.13242	19.0
229.14372	2.7
249.14746	3.0
267.15939	100.0
273.14828	3.1
280.65176	2.7
285.16956	20.1
334.22012	2.7
349.21973	3.2
367.22745	6.9
385.23633	12.1
403.24875	3.1
433.25729	9.4
459.27393	39.6
460.26212	2.9
477.28394	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94974	1.3
51.02386	2.1
53.03942	6.0
53.99826	1.3
55.01870	5.3
55.05516	31.3
57.03429	4.8
57.07077	3.7
59.04993	1.7
65.03941	3.1
67.05510	87.1
69.03440	3.8
69.07076	21.0
69.15224	15.1
71.05000	41.6
77.03962	1.8
79.05499	62.5
81.03419	5.3
81.07060	100.0
83.04990	13.7
83.08621	16.4
85.06538	6.6
86.75055	1.5
91.04995	1.5
91.05484	66.0
93.07051	72.0
95.04981	9.5
95.08614	46.6
97.06552	11.3
97.10165	9.4
97.80173	1.6
99.08107	2.6
103.05455	1.7
105.04565	2.4
105.07039	42.1
107.04953	2.7
107.08599	42.5
109.06542	7.0
109.10167	19.1
111.04466	3.3
111.08092	4.8
115.05467	2.3
117.07024	13.6
119.08580	22.3
121.06580	1.4
121.10153	26.7
123.08046	2.7
123.11717	18.7
125.09653	5.0
129.07014	5.7
131.08571	23.8
133.10136	33.4
135.08069	3.6
135.11691	21.0
137.09637	2.0
141.06996	1.7
143.08592	4.3
145.06409	1.5
145.10143	16.2
147.11732	10.6
149.09631	2.5
149.13246	12.8
151.11191	12.0
153.12790	3.2
155.08534	2.0
157.10135	4.2
159.11682	14.5
161.13341	6.5
163.11176	9.0
169.10153	2.9
169.12308	1.4
171.11711	5.1
173.08244	1.6
173.13225	6.5
175.14810	3.1
177.12767	3.5
179.14261	1.8
181.12233	3.1
183.11746	2.4
183.13841	13.2
185.13304	4.3
187.13385	3.4
187.14902	3.5
189.11249	1.8
191.10658	2.1
195.12088	1.6
195.13733	7.2
197.13292	3.3
199.13290	1.7
199.14919	2.3
209.11691	1.9
227.12790	9.9
243.21086	2.2
253.17989	2.7
257.17270	2.0
261.22177	6.8
267.16013	1.7
269.17508	2.4
275.20032	1.7
277.21725	1.5
283.15457	4.6
283.18777	1.9
285.17014	3.4
299.23804	2.9
315.23102	2.5
317.24750	3.7
327.23343	2.0
335.25723	8.0
361.27499	2.7
363.25171	2.7
437.21786	1.6
437.34238	3.5
451.32187	3.4
469.33038	2.7
487.34088	2.7
517.39075	17.3
525.35901	3.0
529.38794	22.4
543.36670	17.8
561.41907	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	561.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94043	0.9
51.02362	1.3
53.03951	5.4
55.01881	5.6
55.05513	24.2
57.03447	4.9
57.03675	0.9
57.07072	2.0
61.02917	1.1
65.03937	5.9
65.52664	1.0
67.05508	82.8
69.03411	3.5
69.07066	17.5
71.04996	44.8
71.05573	1.5
71.08608	1.3
71.49913	1.2
71.50331	1.3
71.92704	1.2
73.01029	0.9
79.05495	60.2
81.03414	4.3
81.07057	100.0
82.07397	1.1
83.04992	11.0
83.08216	1.3
83.08625	12.8
85.02903	1.7
85.06519	5.2
87.04486	1.2
91.05484	60.1
93.07047	67.0
95.04957	6.9
95.08607	40.5
97.06525	9.6
97.10175	5.4
99.08072	2.5
100.28762	1.0
105.04500	2.3
105.07030	33.6
105.23460	1.0
106.67316	1.0
107.04963	1.8
107.08595	37.9
109.06512	4.5
109.10151	18.1
111.04424	3.1
111.08087	5.6
115.05422	1.6
117.07012	9.6
119.08582	17.6
121.06516	2.4
121.09342	1.8
121.10153	26.0
123.08025	1.8
123.11700	16.0
125.09622	4.7
128.06184	1.4
129.07001	4.5
130.07721	1.3
131.08572	17.6
133.10138	30.5
135.08011	3.4
135.11694	17.8
142.12418	1.1
143.08578	2.7
145.10143	10.4
147.08081	1.1
147.11673	7.0
149.09567	2.4
149.13255	10.8
151.11159	10.2
153.12701	1.5
155.08527	2.0
157.10168	3.4
159.11705	14.1
161.13237	4.1
163.11177	2.6
163.14806	1.7
165.12709	1.4
169.10132	1.9
169.12329	1.8
171.11687	3.3
173.09660	1.3
173.13275	5.7
175.14767	1.4
177.12811	2.6
181.12163	1.1
183.11734	2.0
183.13824	14.1
185.13344	1.3
187.11275	1.1
187.13281	2.6
187.14796	2.5
189.11176	1.4
191.10617	1.7
193.12245	1.2
195.13788	5.3
199.14857	1.5
209.11678	1.8
209.62582	1.1
227.12849	2.8
227.16307	1.2
243.21085	1.7
261.22049	5.2
269.17514	1.7
277.21616	3.2
283.18976	2.4
285.16977	3.4
315.23035	1.1
317.24930	1.9
317.48285	1.2
333.23959	1.4
335.25851	3.4
363.25223	2.4
433.31497	1.3
451.31821	1.5
469.32968	2.3
517.38928	18.6
525.35260	1.5
529.38654	7.0
542.67010	1.2
543.36810	9.3
561.41754	50.2
562.41370	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86465	2.4
53.03949	11.1
55.01872	12.1
55.05516	58.5
57.03432	13.0
57.07072	5.6
64.21205	2.8
65.03940	6.9
67.05510	100.0
69.03429	5.9
69.07071	25.6
69.42752	21.2
71.05001	8.0
79.05498	72.5
81.03435	14.4
81.07061	97.2
83.04993	17.1
83.08627	35.4
85.02887	3.1
85.06538	3.9
91.05489	59.5
93.07054	77.3
93.66968	2.8
95.04971	14.6
95.08623	56.9
97.06537	14.5
97.10181	26.4
98.21565	4.9
99.04499	3.5
99.08092	4.0
103.05431	3.5
105.04503	3.5
105.07039	52.4
107.04961	9.3
107.08604	51.3
109.06509	7.5
109.10172	33.2
111.04468	10.6
111.08100	10.0
117.07017	28.7
119.08585	44.0
121.06543	6.8
121.10143	32.9
123.08051	6.5
123.11716	9.2
125.09630	24.1
129.07011	12.8
131.08582	44.6
133.06616	2.6
133.10139	30.0
135.08070	8.3
135.11725	27.5
137.09721	3.6
137.13148	3.6
139.11253	6.8
141.06973	2.9
143.08540	14.6
145.10143	41.6
147.08099	4.4
147.11668	21.4
149.09637	9.4
149.13264	10.8
151.11119	3.5
153.12769	9.2
155.08566	7.5
157.10178	16.9
159.11700	24.5
161.13287	12.6
163.11163	17.8
163.14836	3.1
169.10190	10.8
171.11693	14.1
173.09610	4.5
173.13193	18.0
175.11208	5.6
175.14781	5.0
177.12746	3.8
181.10162	3.2
181.12267	9.0
183.11684	6.4
185.13249	14.6
187.14828	6.9
189.11256	16.7
189.16411	3.4
191.10703	4.2
191.14346	2.9
193.12267	4.4
195.11678	3.9
197.13287	3.6
199.14882	7.9
200.79474	2.8
203.14320	3.2
209.11766	10.2
211.13168	4.2
211.14941	4.3
213.16420	3.7
225.16533	3.4
227.12712	33.6
230.94620	2.8
241.19603	4.3
245.13907	4.7
259.20740	6.8
261.22162	16.4
271.20532	3.6
273.22052	4.1
276.72913	2.5
277.21692	5.7
283.15378	18.1
283.20557	4.7
289.21594	3.6
294.73141	3.0
297.22180	6.0
299.23801	17.7
301.21643	9.6
315.23285	6.0
317.24820	11.3
333.24210	5.8
335.25790	14.0
339.23288	3.4
415.29465	3.2
433.30762	7.2
451.32056	19.1
469.33078	18.8
487.34174	11.6
492.86572	3.1
515.37164	4.7
525.35760	25.9
533.38470	3.5
543.36859	94.1
561.37885	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.8
55.01874	16.4
55.05518	48.2
57.03436	12.9
57.13935	4.4
59.07589	3.3
61.20782	4.2
63.26237	3.1
65.03952	3.1
67.05510	90.7
69.03469	3.5
69.07077	29.0
70.80323	3.8
79.05504	63.1
80.05833	4.2
81.03419	13.0
81.07063	83.9
83.04980	18.3
83.08617	31.9
85.02905	4.4
85.06537	5.7
91.05484	56.4
93.07059	67.7
95.04982	13.5
95.08624	52.9
97.06549	9.7
97.10178	37.5
98.20729	7.8
99.08134	4.6
105.07042	50.2
107.04952	5.2
107.08600	54.0
109.06553	5.8
109.10162	30.2
111.04459	13.0
111.08084	4.3
117.07035	27.3
119.08612	40.3
121.06537	8.9
121.10153	29.7
123.08077	8.4
123.11702	8.4
125.09641	26.8
129.07019	12.8
131.08559	38.7
133.10144	27.2
135.08089	8.1
135.11696	25.8
137.09683	3.9
143.08582	16.0
145.10146	39.3
147.11714	15.1
149.09631	6.1
149.13274	7.7
153.12726	9.8
155.08604	4.5
157.10149	11.4
159.11693	27.7
161.13319	15.7
163.11208	14.5
163.14725	4.2
169.10170	7.7
171.10237	4.1
171.11656	6.2
173.13272	11.6
175.11108	4.1
175.14873	5.3
181.12254	8.9
185.13290	8.5
187.14804	6.1
189.11218	14.6
199.14862	4.4
209.11678	6.8
227.12825	34.8
243.21178	4.6
259.20581	5.6
261.22104	11.8
267.15857	3.9
283.15463	12.8
299.23636	21.9
317.24792	15.8
335.25858	15.0
433.30930	8.5
451.32028	16.0
469.33038	16.7
487.34409	12.2
515.37299	8.6
525.35358	18.9
543.36804	100.0
561.37946	72.7
586.77716	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64166	1.9
53.03944	4.3
55.01880	4.1
55.05514	18.0
57.03439	9.0
57.07081	1.9
65.03929	2.5
66.29979	1.9
67.05512	60.4
69.03410	3.2
69.07067	15.6
69.15389	20.2
71.04999	4.1
79.05499	56.2
81.03416	5.8
81.07064	59.3
83.03616	1.8
83.04981	3.2
83.08617	12.6
91.05482	22.9
93.07051	65.7
95.04984	7.1
95.08615	60.3
97.02892	5.6
97.06536	5.1
97.10205	4.7
98.20747	4.6
99.04455	4.3
105.07027	17.0
107.04962	7.9
107.08604	46.7
109.06550	2.5
109.10162	19.4
111.04429	2.6
111.08052	3.6
117.07025	12.4
119.08595	14.3
119.94042	1.9
121.06528	7.2
121.10149	26.6
123.11745	4.5
123.49417	2.0
125.06012	2.6
125.09589	2.2
129.07007	1.9
131.08585	11.4
133.10135	7.2
133.51251	1.9
135.08017	2.1
135.11707	47.2
135.12741	3.0
137.13231	3.1
145.10149	29.8
147.11679	4.5
149.13275	7.2
159.11700	4.4
161.13403	2.0
163.11194	59.7
163.12556	3.5
163.14848	4.4
173.13203	4.5
175.76839	2.2
181.12236	12.0
209.11768	4.4
227.12793	100.0
243.21066	5.5
261.22162	29.3
283.15427	39.7
317.24719	7.8
335.25848	54.0
335.29898	2.7
396.81952	2.1
451.32251	2.6
543.36798	33.1
561.37939	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	561.379
Annotation	Hippuristerone K
Peak:m/z	Relative Intensity
53.01548	2.7
53.03960	7.3
55.01859	9.4
55.05520	50.0
57.03431	12.4
57.07076	4.0
57.96810	3.5
65.03962	4.2
65.62955	3.2
67.05511	100.0
67.59760	2.7
69.03436	5.3
69.07080	29.6
69.65733	2.8
69.73300	18.6
71.04997	3.5
79.05075	4.9
79.05499	65.8
81.03419	12.3
81.07065	83.0
83.04997	18.3
83.08633	24.1
85.02824	3.1
85.06567	5.7
87.60934	3.4
89.84189	3.0
91.05487	61.6
93.06490	6.5
93.07055	85.8
94.65923	2.9
95.04956	14.5
95.08614	54.8
97.02895	4.1
97.06552	13.3
97.10189	30.3
105.07035	52.3
107.04993	5.5
107.08609	43.0
109.06516	7.4
109.10165	33.2
109.68935	3.0
111.04460	9.9
111.08087	8.1
117.07043	29.0
119.08595	46.3
119.18301	3.6
121.06520	6.6
121.10151	30.9
123.04430	4.2
123.08072	8.3
123.11745	9.2
125.09631	26.6
128.06255	5.2
129.07014	16.3
131.08575	42.6
133.10143	32.9
135.08087	7.4
135.11703	29.5
137.09622	3.5
142.07779	3.8
143.08562	14.8
145.10141	31.6
147.11710	22.2
149.09636	5.8
149.13278	8.5
151.11205	3.5
153.12798	8.4
155.08553	4.4
157.10191	12.1
159.11703	22.7
161.09648	3.0
161.13266	9.4
163.11234	22.1
167.19994	2.9
169.10129	6.6
171.10231	4.9
171.11713	9.3
173.09715	5.1
173.13318	14.9
175.11227	4.2
175.14944	3.5
181.10124	5.3
181.12286	9.0
183.11679	8.4
185.13287	10.2
187.14868	9.4
189.11243	14.5
191.10715	7.4
193.12317	6.6
197.13321	4.5
199.14873	4.8
209.11774	11.8
211.13200	6.1
213.16435	4.4
227.12802	44.3
231.21042	3.2
243.15910	3.2
259.20493	5.0
261.22211	13.2
273.18478	3.5
279.23257	4.0
283.15280	19.7
283.20709	6.0
299.23691	16.9
301.21646	6.2
315.23044	4.6
317.24670	9.3
332.57581	3.2
333.24292	10.8
335.25726	14.7
391.10590	3.9
423.32666	4.7
433.30811	9.2
443.05560	3.6
451.32294	17.8
469.33246	17.0
487.34122	8.4
515.37811	4.2
525.36084	19.7
543.36871	95.1
561.37817	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
55.01855	10.6
55.05278	3.9
55.05516	52.8
57.03431	10.3
57.07075	3.7
65.03931	4.0
67.05507	87.9
69.03434	5.4
69.07073	20.9
71.01347	4.1
71.04971	8.7
79.05494	68.5
81.03408	13.1
81.06601	6.2
81.07059	83.3
83.04977	19.3
83.08621	28.9
83.50022	2.9
85.02898	4.0
85.06541	4.8
91.05490	50.8
93.07046	68.4
95.04935	13.9
95.08608	51.9
97.06503	6.5
97.10175	37.1
105.07043	45.5
107.04966	7.6
107.08601	42.8
109.06482	4.9
109.10165	33.0
111.04436	9.8
111.08078	9.0
115.05453	3.6
117.07023	23.3
119.07844	2.9
119.08605	36.5
119.41664	2.9
121.06540	5.4
121.10143	23.6
123.08034	4.9
123.11710	9.5
124.03942	2.9
125.09646	31.1
128.06190	3.6
129.06990	11.0
130.07826	2.9
131.08592	32.3
133.06430	3.7
133.10153	27.8
135.08041	12.0
135.11687	25.5
141.07039	3.9
143.08534	10.6
145.10136	31.8
147.08078	3.4
147.11708	16.6
149.09630	8.0
149.13257	9.2
153.12727	7.7
155.08572	4.1
157.10115	13.7
159.11685	26.1
161.13243	8.8
163.11168	13.8
169.10172	6.8
171.11668	10.3
173.09663	4.6
173.13264	14.4
175.14853	4.8
181.12209	9.0
183.11687	8.3
185.13310	8.3
187.14883	8.4
189.11311	14.8
191.10654	6.9
193.12289	5.4
195.11632	3.4
197.13350	4.6
199.14854	5.3
209.11665	7.3
211.13252	4.3
227.12781	35.5
227.90453	3.4
259.20486	4.1
261.22089	20.8
277.21713	5.0
283.15353	20.7
291.50476	3.7
299.23639	18.2
301.21509	4.4
315.22885	4.7
317.24637	15.7
333.24530	4.4
335.25809	10.4
386.90732	3.4
433.30933	7.1
451.32309	17.0
469.33078	13.2
487.34045	9.8
515.36658	5.2
520.42975	3.6
525.35699	20.5
543.28430	6.2
543.36847	100.0
561.29987	4.7
561.37970	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.5
53.31761	4.1
55.05310	4.0
55.05517	41.7
55.83478	4.6
56.37243	4.5
57.03439	17.1
57.07067	18.9
65.03913	4.8
67.05512	89.3
69.03416	4.5
69.07062	21.5
71.08622	9.7
76.39429	4.4
79.05499	100.0
81.03421	16.0
81.07069	93.7
83.04967	15.6
83.08611	18.8
91.05488	89.2
93.07053	96.5
94.85152	4.3
95.04984	17.4
95.08622	69.3
97.06554	7.3
97.10188	9.1
105.04506	5.7
105.07038	55.5
107.04937	10.8
107.08604	37.1
109.06512	14.2
109.10168	24.9
117.07032	17.0
119.08595	39.0
121.10173	23.6
121.10835	4.2
123.08099	7.4
123.11700	10.0
129.06972	12.7
131.08554	21.3
133.10176	22.5
135.11702	13.5
139.48705	5.1
143.08548	10.0
145.10132	21.9
147.11693	37.0
149.13280	7.7
157.10057	5.9
159.11668	12.7
161.13232	14.8
169.10213	6.1
171.11745	26.1
173.13332	8.3
176.10112	5.6
189.12804	9.6
193.12209	7.2
194.12547	6.3
198.12778	5.9
207.13831	19.3
211.13181	6.4
261.22241	9.7
279.15857	6.9
281.17517	45.0
285.16818	5.8
286.17380	5.3
305.30539	4.7
313.27411	7.8
314.27573	13.8
335.25839	49.3
518.32178	5.3
524.40314	16.9
541.38971	66.2
559.39886	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.2
55.01855	5.2
55.05512	29.8
57.03423	12.1
57.07055	4.4
65.03925	5.3
67.05509	89.0
69.03427	3.8
69.07066	20.5
69.32397	22.8
71.04977	12.6
73.74107	2.9
79.05497	66.7
81.03401	6.9
81.06599	5.3
81.07060	90.3
83.04973	6.1
83.08618	19.4
86.25822	2.5
91.05486	41.1
92.39171	3.1
93.06499	5.4
93.07053	80.2
95.04975	10.6
95.08612	77.5
97.02897	6.1
97.06534	5.7
97.10165	4.8
99.04447	3.4
100.50486	2.6
101.37164	3.0
105.04518	3.0
105.06532	2.6
105.07037	30.9
107.04960	11.8
107.08598	52.4
109.06522	4.6
109.10168	27.1
117.06323	3.4
117.07036	23.8
119.08588	23.9
120.66359	2.3
121.06496	6.9
121.10153	34.7
123.08043	4.5
123.11707	10.0
125.09649	3.7
131.08594	18.4
133.10138	20.7
135.08015	4.3
135.10712	4.4
135.11696	58.5
137.13249	5.6
143.08537	5.8
145.10118	34.8
147.11682	10.5
149.13257	11.7
151.11160	5.2
153.12773	4.0
157.10141	4.0
159.11728	9.6
161.13174	3.4
161.99634	2.9
163.11201	48.5
163.14792	3.2
163.28239	3.0
173.13242	6.9
175.14810	3.3
181.12210	12.0
183.13786	4.0
187.14844	5.0
210.54381	2.8
227.12793	100.0
243.20964	4.1
261.22156	34.3
267.15744	3.5
279.23190	3.9
283.15442	40.5
317.24713	9.3
335.25833	74.8
355.41122	2.8
372.44876	2.7
451.32391	3.7
469.32828	7.5
525.35413	3.5
529.38739	6.0
543.29395	4.3
543.36914	51.3
561.38348	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	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.4
55.01868	2.8
55.05517	21.7
56.17579	2.8
57.03430	11.2
57.07065	3.9
65.03946	7.1
67.05506	92.4
69.07071	23.0
71.04982	5.2
78.43915	2.6
79.05496	97.3
80.74225	3.1
81.03408	10.4
81.06602	4.8
81.07058	84.4
83.04987	14.7
83.08623	11.8
89.56545	2.7
91.05487	66.7
93.07050	100.0
95.04964	18.3
95.08613	64.8
97.06500	4.5
97.10160	6.8
98.21541	8.4
105.04494	3.3
105.06324	3.6
105.07035	58.1
107.04959	12.9
107.08587	37.3
109.06529	6.5
109.10172	22.1
111.08068	3.2
117.07040	17.3
119.08587	34.1
121.10158	22.4
123.08051	4.7
123.11683	5.5
127.07513	3.8
129.07011	20.2
131.08611	15.1
133.10138	19.0
135.11697	11.7
143.08553	12.4
145.06607	3.2
145.10121	17.6
147.11694	48.4
149.13277	7.9
155.08670	2.7
157.10121	7.7
159.11684	8.8
161.13249	13.0
163.14798	3.3
169.10097	4.9
171.11678	31.9
173.13300	4.9
183.11627	3.6
185.13228	4.8
187.14786	3.1
189.12767	9.0
199.14941	4.2
207.13818	30.7
261.22171	12.1
279.15952	6.3
281.14572	2.5
281.17493	57.7
323.23709	3.5
335.22055	5.3
335.25790	61.4
449.33807	4.2
467.35092	5.0
485.36209	3.5
507.12390	3.2
541.38898	73.0
559.39539	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	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.0
55.01862	3.4
55.05511	33.6
56.05365	2.9
57.03426	12.2
57.07067	2.8
58.12276	2.9
59.65401	2.6
60.64044	2.7
65.03931	7.2
67.05511	96.4
69.07073	22.2
69.31326	27.1
71.04977	3.6
71.08628	2.8
78.37644	2.6
79.05499	100.0
81.03416	7.9
81.07059	92.4
83.04986	16.3
83.08628	15.7
91.04645	2.6
91.05489	69.1
93.07049	88.1
95.04967	20.1
95.08604	52.6
97.06553	6.1
97.10189	7.3
103.05447	4.2
105.04508	4.5
105.07034	48.6
107.04956	6.1
107.08595	37.7
109.06525	5.1
109.10175	23.5
111.08029	2.6
111.19140	2.7
117.07025	17.6
117.29295	2.7
119.08596	36.1
121.06486	3.3
121.10142	24.4
123.08026	6.4
123.11697	5.2
128.06154	3.6
129.07002	16.8
131.08595	21.1
133.10129	22.6
135.08064	5.1
135.11688	14.6
143.08554	15.8
145.10143	24.4
147.11679	36.7
149.13242	10.6
155.08597	3.1
155.12120	2.7
157.10133	6.5
159.11688	7.9
161.09637	5.9
161.13290	18.3
169.10133	5.4
171.11758	29.4
173.13275	8.2
183.11665	2.8
185.13177	6.1
187.14822	5.4
189.12724	9.1
195.11778	2.7
207.13850	21.0
261.22214	10.0
279.15967	5.8
281.17499	42.3
335.25812	43.5
449.34323	4.9
527.37146	5.1
536.41797	2.8
541.39001	50.5
559.23425	5.7
559.40375	22.4
561.10718	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	558.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	4.2
54.39846	3.2
55.05517	18.0
57.03431	11.3
57.07081	34.0
60.88380	3.1
67.05518	25.4
68.79813	3.0
69.07065	11.3
70.06577	3.7
71.04982	6.5
71.08638	30.6
71.19252	6.1
79.05501	16.7
79.77532	2.9
81.03420	46.9
81.07054	31.9
83.04969	13.9
83.08624	30.2
85.02891	14.3
85.06573	3.5
85.10171	9.5
89.06030	6.8
91.05483	21.1
93.07043	11.9
95.04985	20.2
95.08603	15.1
97.10188	6.5
101.31043	2.9
104.20647	3.3
105.07023	14.1
107.04974	4.9
107.08591	6.9
109.10155	11.8
111.08031	8.3
119.08575	13.0
121.10136	8.4
129.06950	7.3
131.08551	7.2
133.10094	8.5
147.11687	10.5
149.09628	3.9
157.10115	9.6
175.11174	11.3
193.12256	38.5
211.13287	62.8
256.26340	8.3
267.15863	6.4
272.31668	3.1
283.26208	4.1
284.26797	5.3
285.16995	56.8
285.27078	4.4
313.27350	69.0
505.38638	10.2
523.40009	100.0
526.24432	3.4
552.89569	6.3
558.44696	3.9
558.53497	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	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.0
53.03961	13.4
53.04178	2.3
55.01875	18.8
55.05515	54.1
57.03444	14.5
57.07074	3.3
59.71881	2.1
65.03957	5.1
67.05510	88.5
69.03439	8.0
69.07077	43.2
71.05005	9.5
73.02918	2.9
77.03944	3.2
79.05503	100.0
81.03426	67.7
81.03867	3.8
81.07065	90.5
81.07529	5.6
83.04990	20.3
83.08628	34.2
85.02917	21.4
85.06577	6.8
86.32204	2.3
91.05490	94.0
93.07054	64.8
95.04983	34.9
95.08619	45.5
95.09184	3.3
97.02934	3.2
97.06545	18.7
97.10181	23.8
98.21494	4.3
99.08123	3.3
103.05515	4.9
105.07047	80.5
107.04961	21.8
107.05508	1.9
107.08608	64.1
107.09305	4.0
109.06538	12.6
109.10159	23.1
109.10748	2.3
110.05461	2.4
111.04456	2.3
111.08081	15.8
113.06046	2.6
113.09687	2.5
115.05480	5.1
117.07021	32.8
119.08601	51.9
121.06560	9.2
121.10174	24.0
123.08116	10.1
123.11756	7.5
125.09631	19.5
128.06271	6.1
129.07036	22.8
130.07843	3.1
131.08586	43.4
133.06535	6.9
133.10139	43.1
133.11087	2.6
135.08096	8.3
135.11740	9.7
137.09663	6.7
139.33618	2.3
141.07048	7.5
142.07889	4.6
143.08549	12.8
145.06499	4.9
145.10139	44.1
147.08095	7.2
147.11700	41.0
149.09637	23.8
149.13362	2.8
151.11234	5.1
153.09126	3.4
155.08614	7.5
155.10704	3.1
157.10176	23.7
159.08098	4.7
159.11723	26.5
161.09599	2.6
161.13321	9.7
163.11136	13.6
163.14830	3.4
165.12866	6.1
169.10201	7.9
171.08061	2.5
171.10449	2.4
171.11797	10.2
173.09702	3.6
173.11928	2.9
173.13248	11.1
175.11214	13.7
177.12865	3.3
179.14420	9.0
183.11778	9.6
185.09665	2.8
185.13284	5.5
187.11197	4.6
187.14894	5.1
189.11308	7.1
189.12863	4.8
193.12260	40.2
193.13841	3.3
195.11874	2.6
197.13373	7.2
201.12897	3.8
205.12401	5.3
205.15976	2.7
211.13277	44.4
213.12827	2.3
213.16499	2.5
216.45358	2.7
219.13898	2.7
227.12860	8.3
229.19612	3.9
239.18060	4.1
247.20744	4.8
257.19022	20.5
267.15936	19.9
273.18576	3.3
275.20099	74.7
285.17178	4.9
287.20358	2.7
293.21225	5.5
297.22122	3.2
299.20044	5.3
305.17551	2.5
313.21866	5.2
315.23358	6.3
331.22885	5.3
349.23755	13.6
409.31146	2.5
431.29922	2.9
435.29486	4.0
449.30698	6.1
463.28748	5.0
467.31909	9.5
485.32977	6.7
523.34503	6.0
541.35284	42.7
559.36536	93.5
576.16461	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	558.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.01840	3.0
55.05514	21.6
57.03438	20.0
57.07076	48.2
65.03958	2.6
65.94157	2.5
67.05503	33.4
69.03432	4.0
69.07063	14.9
70.75504	7.7
71.04994	5.5
71.08630	35.7
79.05487	26.5
81.03419	59.8
81.07059	41.7
83.04984	16.4
83.08611	28.4
85.02899	19.5
85.10194	17.9
89.06044	15.1
91.05476	36.8
93.07035	26.3
95.04965	22.1
95.08620	31.2
97.10180	6.8
98.20788	2.6
105.07034	25.0
107.04956	7.7
107.08591	8.4
109.06519	5.8
109.10130	12.5
111.08076	7.0
119.08579	25.7
121.10161	7.3
123.08044	3.1
123.11689	5.3
129.07005	11.1
130.95338	2.6
131.08591	8.1
133.08644	6.1
133.10150	14.3
145.10100	3.2
147.08023	3.9
147.11700	11.5
149.09651	5.5
157.10136	12.3
165.12849	2.9
175.11215	12.0
193.12239	51.7
211.13287	83.0
224.40620	2.6
239.23689	5.1
267.15793	17.3
281.17398	3.1
285.16965	76.4
313.27353	100.0
324.62921	2.7
407.12900	3.2
505.38474	14.8
523.40009	67.8
552.89813	4.6
558.42889	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	558.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27269	5.8
53.53239	5.8
57.03416	7.5
57.71146	5.9
69.03409	7.4
69.84568	33.8
72.09033	5.5
74.88459	5.5
79.05435	7.1
80.66377	5.7
81.03414	5.9
85.02888	15.4
91.05482	13.6
103.05447	11.6
105.07018	15.8
107.04948	27.0
112.54716	6.5
119.04938	11.3
121.06409	6.4
122.03642	8.5
127.03892	8.2
131.04907	16.2
133.02916	9.0
133.06467	14.3
135.07982	9.6
137.05988	100.0
147.04424	12.0
149.05962	20.0
151.07568	38.8
161.05972	75.7
161.09596	17.6
163.07556	55.4
175.07539	11.2
179.07024	21.8
181.08577	13.5
189.09074	45.9
191.06952	11.3
202.46342	6.8
207.10208	89.4
273.11383	9.5
285.11331	7.0
287.12863	9.1
291.12393	12.2
313.14426	8.0
331.15546	31.9
343.15466	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	558.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01876	1.6
55.05514	7.2
57.03429	2.4
57.07076	13.3
59.04991	2.4
61.02922	3.6
67.05479	1.0
69.03430	10.5
69.07072	57.2
69.34502	6.6
69.34900	1.8
71.05008	4.8
71.08638	8.4
73.02915	2.6
73.06550	9.7
81.03416	4.5
81.07037	1.3
83.08599	1.8
84.34603	0.7
85.02909	52.0
85.10198	3.7
88.25288	0.8
89.06035	26.2
91.03956	3.1
93.07041	1.6
97.02900	14.8
99.04452	2.7
99.11768	0.9
109.02899	4.1
109.10138	1.4
111.11726	80.9
115.03934	0.9
120.99500	0.8
121.10134	1.4
127.03920	12.3
129.12762	100.0
129.72562	0.7
133.10008	0.9
145.04961	14.2
146.16983	1.0
163.01573	0.7
163.06000	6.0
178.66908	0.8
199.16942	21.0
217.17993	22.9
526.64410	1.0
578.72681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.8
55.88032	3.0
61.39923	4.2
69.03442	6.9
70.80137	9.6
79.05502	5.9
81.03409	3.5
85.02892	11.0
91.05518	19.2
95.04967	3.8
97.02901	7.4
103.05486	18.9
104.63522	3.5
105.07079	19.8
105.81664	3.8
107.04951	20.0
108.42061	4.0
119.04940	8.9
121.06474	6.1
127.03933	4.5
131.04950	25.9
133.02888	7.0
133.06485	15.5
135.08017	4.3
137.05989	100.0
147.04422	14.0
149.06001	15.2
151.07573	37.7
154.27654	3.4
161.06006	68.8
161.09622	20.5
162.06850	4.2
163.07556	73.2
163.08835	6.8
165.05481	4.5
165.09143	6.0
167.07178	4.8
175.07565	11.3
177.05528	7.5
177.09137	13.5
179.07066	14.2
181.08636	11.1
185.94147	3.7
187.73177	3.7
189.09109	41.1
191.07051	5.4
195.08113	6.5
207.10184	84.1
219.10168	7.5
221.11592	4.7
227.10704	9.7
255.10155	10.5
271.44934	3.5
273.11389	5.0
285.11200	6.9
287.12753	17.6
291.12253	5.7
311.12793	12.0
313.14383	22.8
319.69385	3.9
331.15414	44.2
337.15668	4.4
343.15375	9.2
554.89539	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	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01875	3.6
55.05519	20.2
57.03448	7.9
57.07082	3.9
65.03944	3.4
67.05506	39.6
67.67989	1.4
69.03424	2.8
69.07077	15.4
70.56677	1.6
71.04981	4.3
77.03912	1.5
79.05501	40.3
81.03423	4.4
81.07058	40.0
83.04983	5.2
83.08620	11.2
88.42679	1.6
91.05482	36.2
93.07046	34.4
95.04981	7.2
95.08614	30.9
97.06554	4.6
97.10175	6.2
98.65942	1.7
103.05417	2.1
105.04527	2.1
105.07037	35.0
107.04974	4.0
107.08604	20.7
109.06542	5.4
109.10158	10.1
111.08090	2.7
115.05450	2.5
117.07028	19.8
119.08589	34.3
121.06565	3.4
121.10152	14.8
123.08089	5.2
123.11745	3.9
125.09631	2.2
128.05359	1.8
128.06235	6.3
129.07016	20.2
131.08575	31.3
133.06514	2.6
133.10141	17.8
135.08034	3.2
135.10806	1.9
135.11662	8.2
137.09653	2.4
141.06976	8.8
142.07776	5.9
143.08553	22.3
145.06459	2.1
145.10123	27.4
147.11671	18.4
149.09541	1.9
149.13269	4.6
153.07028	3.6
155.08554	16.8
156.09406	2.1
157.10135	21.5
159.08081	2.6
159.11690	20.5
161.13254	11.9
163.11211	1.6
165.07054	1.8
165.12784	1.5
167.08612	6.6
168.09384	3.4
169.10149	25.2
171.11703	25.0
173.09665	3.6
173.13213	11.6
175.11229	1.9
175.14867	5.5
177.12772	3.0
179.08635	4.4
180.09456	2.3
181.10161	11.2
182.10928	2.0
183.11734	17.2
185.09612	2.7
185.13284	16.2
187.11226	4.0
187.14847	5.7
189.12816	3.2
191.14343	1.9
193.10201	3.5
195.11720	10.3
197.13304	13.7
199.14847	10.3
201.16278	1.9
207.11705	4.6
207.13748	3.2
209.13272	10.1
211.14844	9.5
213.16347	9.3
219.13885	2.5
221.13254	3.3
223.14928	5.8
225.16467	3.8
225.69890	1.5
235.14925	4.4
237.16431	2.9
241.19606	5.9
247.17023	5.4
249.16573	1.9
251.18074	2.1
257.19046	2.1
259.20590	15.6
275.20346	2.0
277.21777	1.9
279.15964	4.5
281.17374	7.8
297.22171	2.8
301.21680	1.7
313.21738	1.9
315.23254	2.3
323.23947	2.8
333.24258	3.7
335.23846	3.0
339.23349	1.9
353.24811	4.0
419.33212	3.3
429.31598	5.8
437.34265	9.5
447.32666	24.4
465.33615	25.8
483.34753	17.5
503.35281	2.0
511.37909	2.9
521.36530	8.6
527.37170	2.1
529.38898	7.3
539.37354	100.0
557.38452	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	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73584	1.5
53.03948	1.9
55.01868	3.7
55.05523	11.2
57.03432	7.9
57.07070	4.0
61.02927	9.7
65.03942	2.0
67.05512	16.8
69.03423	7.3
69.07076	11.1
69.35478	6.8
69.35908	6.5
71.01344	4.1
73.02924	100.0
79.05501	24.8
81.03417	8.0
81.07060	26.9
83.04980	2.4
83.08624	7.9
85.02889	6.0
87.04452	2.3
91.05487	27.3
93.07043	40.7
95.04966	6.7
95.08610	41.4
97.02885	5.5
97.06538	3.4
97.10149	4.1
99.08101	22.9
102.73733	2.1
105.04539	2.5
105.07039	34.6
107.04916	3.8
107.08602	67.4
109.06522	2.4
109.10160	21.7
111.08098	3.0
113.09633	2.8
115.03940	13.1
117.07005	10.2
119.08588	52.2
121.06512	1.8
121.10167	20.5
123.08060	3.7
123.11715	10.1
125.09631	3.0
128.06252	6.7
129.06989	7.7
131.08583	28.7
133.04965	2.4
133.10139	28.8
135.11699	22.6
137.13271	4.2
141.06985	4.8
142.07774	7.2
143.08575	20.2
144.09340	2.1
145.10136	28.4
147.08023	3.1
147.10519	3.5
147.11691	54.3
149.09622	2.5
149.13237	11.2
153.12747	2.1
155.08559	8.3
156.09337	3.4
157.10152	25.7
159.11699	30.7
161.05971	3.4
161.13272	18.6
163.11151	2.6
163.14786	5.0
164.40605	1.8
167.08598	2.5
168.09276	2.2
169.10205	13.1
170.10878	2.9
171.11697	18.4
173.13290	26.7
175.14848	17.1
177.16383	6.8
179.14290	6.7
181.10133	4.7
183.11714	20.2
185.13274	13.7
187.14832	21.1
189.16393	21.4
191.17955	6.0
195.11629	5.8
197.13257	9.8
197.36566	1.9
199.14842	30.4
201.12830	1.8
201.16391	18.0
203.14326	3.9
203.18028	5.5
207.11609	2.6
207.17464	1.9
209.13277	4.0
211.14856	10.3
213.16408	14.0
215.17924	8.0
217.19559	1.9
219.17441	3.5
223.14886	3.2
225.16408	8.1
227.17957	9.2
229.16081	2.0
229.19511	6.3
231.17448	4.7
237.16396	3.1
239.17908	4.3
241.19574	4.5
243.21178	2.5
245.19089	4.2
247.20670	3.4
251.17894	2.7
253.19641	9.3
255.21118	3.5
257.19022	2.8
259.20477	2.2
267.21042	14.9
269.19138	2.0
271.20572	11.4
273.18539	2.9
273.21735	2.0
279.21323	2.0
283.20618	2.1
285.22147	8.1
289.14453	2.1
295.20642	2.3
297.21994	2.8
311.23672	3.8
319.24112	2.2
325.25156	2.0
335.27405	16.2
337.25266	3.5
353.28415	5.4
389.32108	9.4
407.27826	3.2
407.33115	59.4
417.26468	11.2
425.34180	18.0
485.32550	11.3
539.37463	4.0
557.31018	13.4
557.37927	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	557.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01876	41.6
55.72116	1.1
57.03446	1.4
65.03941	3.6
67.05502	2.5
67.55222	0.9
68.02657	2.4
68.87925	0.9
69.03439	1.3
69.07088	1.0
69.36607	7.2
72.54633	0.8
79.05511	6.3
81.03421	2.8
81.07053	2.2
82.04207	0.9
83.04982	3.6
85.02899	1.7
91.05489	9.3
93.03445	4.6
93.07047	4.0
94.04184	4.8
95.04973	10.8
97.02954	1.3
97.06522	2.2
99.04489	0.9
103.05475	33.0
105.03387	1.2
105.04517	1.2
105.07038	5.7
107.04963	12.8
107.08606	1.6
109.02891	1.6
109.06459	1.1
111.04443	9.9
115.05450	2.3
117.07030	4.7
119.04939	2.8
119.08653	1.4
121.06512	8.1
122.03634	6.3
123.04436	15.4
123.08088	1.3
125.05997	5.2
127.03901	2.6
129.06975	1.5
131.04939	64.2
131.08531	1.7
133.02840	1.3
133.06462	5.5
135.04457	5.3
135.08046	1.9
137.02371	1.8
137.05988	100.0
141.06979	1.2
145.02873	1.2
145.06494	4.6
147.04457	5.8
148.05121	1.2
149.06001	7.1
149.09584	1.0
151.03923	17.8
151.05098	0.9
151.07547	3.6
153.01997	1.3
153.05479	8.3
153.06743	1.3
161.05992	11.1
161.09625	2.1
162.03168	2.0
163.03899	7.6
163.07549	30.6
165.05482	3.8
165.06917	1.6
165.09137	3.1
167.07106	5.3
167.08394	1.4
169.06474	1.6
173.05922	2.2
175.07536	5.0
177.05496	14.1
177.06947	1.8
177.09073	1.6
178.06325	6.0
179.07065	3.2
181.06554	1.9
181.08583	2.5
183.08022	1.1
185.09734	0.9
187.07552	2.9
189.05545	1.1
189.09154	4.6
191.07010	1.8
195.06541	39.5
195.07976	1.8
196.07388	0.9
197.05969	1.1
201.09103	2.7
203.06973	1.0
205.08607	1.6
207.08192	1.1
207.10176	4.2
211.07614	2.5
213.09100	2.1
219.08246	1.1
219.10181	3.6
221.06061	1.4
223.07613	1.1
223.09695	1.3
225.09195	1.9
226.87657	1.0
239.07117	1.6
239.10670	1.2
241.08611	1.3
243.06569	1.1
243.10252	1.1
253.08617	2.5
267.10175	1.1
269.11819	1.3
271.09686	4.1
273.11218	1.8
283.09604	1.4
285.11227	4.0
287.12836	1.1
295.09656	1.8
297.11203	1.2
301.10696	1.2
309.11243	1.3
315.12396	1.1
327.12219	1.9
368.32065	1.0
405.06131	3.6
465.19171	1.2
525.21027	1.2
545.67761	0.9
557.10962	6.9
557.22101	5.1
557.30389	2.0
580.30084	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03952	1.8
55.01879	37.2
55.05491	0.8
65.03937	3.2
67.05494	1.3
68.02637	1.6
69.03420	1.7
71.01333	1.3
71.49317	0.8
78.98387	0.9
79.05492	6.0
81.03424	2.9
81.07055	3.5
83.04990	4.5
85.02895	1.4
91.05489	9.0
93.03414	4.8
93.07044	3.3
94.04184	3.4
95.04973	10.5
97.02896	0.9
97.06543	2.6
103.04811	1.9
103.05476	27.0
105.03330	0.8
105.04504	1.1
105.07044	6.1
107.04970	12.5
107.08617	1.1
109.02872	1.3
109.06490	1.5
111.04450	8.2
115.05455	2.4
117.07030	5.2
119.04960	2.5
119.08573	2.2
121.02882	1.4
121.06519	7.7
121.10117	0.9
122.03679	5.5
123.04453	13.6
123.08067	1.2
125.05983	3.8
127.03955	1.8
128.06226	0.9
129.06995	1.7
131.04944	62.7
131.08519	1.1
133.02841	1.3
133.06496	4.5
133.10168	1.5
135.04388	3.8
135.08055	2.2
135.11728	0.8
137.05992	100.0
141.05353	0.9
141.07033	1.1
143.04918	1.2
144.05615	1.0
145.06509	4.1
147.04433	5.6
147.08041	1.8
148.05290	0.8
149.05991	5.9
150.07739	0.9
151.03929	20.4
151.05124	1.2
151.07567	4.0
153.05466	8.5
153.06729	1.6
155.08522	0.8
157.06505	0.9
159.08170	0.8
161.05978	9.7
161.09631	2.3
162.03143	0.8
163.03905	7.7
163.07558	32.0
165.05464	2.4
165.06996	1.5
165.09108	2.7
167.07054	4.5
167.08365	1.1
169.06511	1.1
173.05960	2.7
175.07558	6.3
177.05489	14.3
177.09050	1.3
178.06261	6.9
179.05069	0.7
179.06993	3.9
179.08429	0.9
181.05035	1.0
181.06506	1.5
181.08582	3.2
182.07310	0.8
187.07597	1.9
188.02740	0.9
189.05534	1.0
189.09152	5.8
191.07002	2.4
193.08540	1.8
194.07237	1.1
195.06548	40.8
195.08011	1.5
195.10074	1.4
196.07285	1.3
197.05927	0.9
197.09650	0.9
199.07538	1.0
201.09094	1.5
207.10204	2.2
211.07574	1.4
213.09067	1.6
219.10149	3.7
221.05997	1.5
223.07495	1.1
223.09561	1.1
224.08322	1.1
225.09140	3.1
229.08554	1.3
235.07481	1.0
237.08902	1.0
239.07036	1.3
239.10745	1.0
241.08539	2.0
253.08553	2.9
255.10237	2.2
259.09616	1.3
269.08374	0.9
271.09653	2.6
273.11111	2.5
283.09634	1.1
285.11349	3.9
295.09647	1.0
297.11136	2.3
301.10855	1.0
309.11102	1.3
313.10571	1.2
315.12219	1.7
327.12207	1.5
329.13995	1.6
345.13168	1.6
357.13293	1.0
359.14694	1.5
405.06244	5.7
465.18878	1.6
465.46268	0.9
476.84116	1.0
557.10986	6.8
557.22333	4.2
557.30591	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99862	2.5
68.98293	1.3
69.03438	1.4
70.26810	4.4
70.99857	1.6
73.87928	1.1
78.45094	1.1
82.99813	7.8
85.02892	2.0
94.99857	2.4
97.01408	1.8
97.02882	1.7
98.21430	1.6
98.97568	2.1
99.03008	1.3
101.00204	2.1
101.00884	42.5
103.02452	1.7
109.01389	2.2
109.02905	2.2
111.02943	1.7
113.00881	13.4
115.02428	2.3
117.04000	4.9
119.01933	40.8
127.02439	19.2
129.00371	1.3
129.04053	2.5
131.01923	19.8
133.03471	2.1
137.00827	2.3
137.02950	2.7
139.02431	3.3
141.03987	6.6
143.01907	46.4
145.03474	60.1
147.01425	2.4
149.02945	1.7
153.03975	3.2
155.01917	32.6
157.03503	11.0
159.05040	16.9
161.02972	32.3
163.04533	4.5
167.01917	20.6
169.03474	65.5
171.01389	6.7
171.05023	14.6
173.02983	29.8
175.04645	2.5
179.01889	8.5
181.03471	7.9
183.05089	3.3
185.02963	57.4
187.04530	72.3
189.02455	12.6
189.06030	1.7
191.03978	1.6
193.03439	2.3
195.01494	2.2
195.05086	1.4
197.02957	21.9
199.04536	15.0
201.00793	1.2
201.02440	2.1
201.06186	1.6
203.04021	18.6
207.03511	1.7
209.02953	2.7
211.04527	15.6
213.02477	22.2
213.06111	3.9
215.04002	18.6
217.05722	1.6
221.03072	1.3
221.05099	4.4
223.04555	4.7
225.02380	7.0
227.04039	11.2
229.05624	5.3
231.03519	23.1
231.05606	2.0
233.01416	2.5
239.04048	2.4
243.03569	4.5
245.05089	100.0
246.05269	2.6
255.03606	2.0
257.01556	7.6
257.05090	8.0
263.06143	11.3
267.03595	2.4
271.06644	16.2
273.04626	4.2
275.02496	67.2
275.06107	43.4
287.02493	23.3
287.06088	5.0
289.07806	3.1
291.05783	1.6
293.03513	9.4
293.07166	6.3
297.04327	2.6
305.03555	22.6
305.07211	13.2
315.05536	7.1
317.07248	2.7
333.06531	3.3
335.04575	20.9
335.08258	5.1
336.04813	1.4
341.03546	6.3
359.04626	21.6
365.09283	9.2
377.05646	49.2
378.05878	2.5
395.06735	66.3
396.07074	1.2
399.36349	1.5
521.10028	2.0
539.10626	5.8
557.11823	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.05512	5.3
57.03444	6.3
57.07079	28.1
67.05181	1.1
67.05509	13.3
69.07070	6.6
71.08636	21.2
77.35120	0.6
79.05494	4.9
81.03426	9.2
81.06598	1.0
81.07063	15.6
83.05002	1.2
83.08627	9.4
85.02897	0.8
85.10184	11.8
91.05482	4.2
93.07043	4.0
95.04962	1.0
95.08616	20.3
97.06516	2.5
97.10176	4.8
98.98473	80.9
99.04466	1.5
99.08045	0.7
105.07042	4.0
107.05051	0.8
107.08590	1.9
109.02876	5.1
109.10170	8.9
111.11733	1.0
117.07043	0.9
119.08581	3.0
121.10193	1.4
123.11684	3.6
131.05026	0.7
131.08627	1.0
133.10114	1.9
135.11743	0.7
137.13269	1.9
145.10124	1.3
147.11711	1.6
149.09567	0.7
149.13292	0.8
151.14799	0.8
155.01051	100.0
157.10086	0.9
163.11256	0.8
171.11696	0.9
196.03624	0.7
206.80560	0.6
218.72491	0.5
221.22571	1.3
225.01530	0.6
239.23723	9.9
243.02623	1.5
257.18881	0.7
275.20071	2.8
293.21024	0.7
299.05234	1.2
313.27390	63.9
314.27695	0.7
317.06329	7.9
355.15274	0.8
383.28113	1.1
393.24060	4.8
401.28940	5.7
537.28052	2.2
555.36652	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26744	1.2
59.35498	1.2
67.06360	1.4
69.03432	3.8
69.52526	5.5
69.52944	3.6
74.38466	1.3
81.70288	1.3
82.99850	5.9
85.02894	5.3
86.24091	1.4
97.02886	3.5
98.97593	4.7
101.00885	32.4
102.04278	1.8
109.01476	1.4
109.02867	2.6
110.97610	1.5
113.00871	8.7
117.03988	2.5
119.01928	23.5
127.02400	17.2
127.03906	2.3
129.00325	1.4
129.03993	1.9
131.01901	11.6
137.00841	1.7
139.02382	2.6
141.03929	3.1
143.01898	38.0
145.03470	35.3
153.03929	2.6
155.01904	21.1
157.03458	8.9
158.99652	1.6
159.05025	9.8
161.02971	22.7
163.04532	2.5
167.01894	16.3
169.03471	52.0
171.01398	4.1
171.05045	10.6
173.02960	24.2
175.04652	1.9
179.01913	8.4
181.03409	8.8
183.05087	2.7
185.02959	45.2
187.04524	43.9
189.00853	1.9
189.02435	6.0
193.03490	1.9
195.01363	2.6
197.02963	25.1
199.04504	10.2
203.04010	15.0
205.03601	2.5
205.34058	1.6
209.02882	2.6
211.04492	10.8
213.02449	13.9
215.03990	16.2
219.01825	2.1
221.05038	2.8
223.04507	3.3
225.02408	3.6
227.03996	12.1
229.05603	2.1
231.03532	12.6
233.05043	1.5
241.05748	2.4
243.03503	3.1
245.05089	100.0
246.05286	2.0
253.05553	2.2
257.01379	4.8
257.05112	7.2
259.06638	1.6
261.02808	2.9
263.06140	11.5
271.06714	11.2
272.06589	2.2
273.04599	1.9
275.02475	33.6
275.06097	67.5
287.02451	10.5
287.06039	4.8
289.07629	1.8
293.03546	6.0
293.07159	8.1
297.04553	2.3
305.03519	11.2
305.07166	16.8
315.05539	4.2
317.03687	2.8
317.07010	3.3
323.56775	1.5
333.06583	2.1
335.04520	14.0
335.08249	8.5
341.03467	4.4
359.04575	13.3
365.09296	12.5
377.05557	27.3
377.09448	2.4
395.06683	36.9
499.26010	1.4
539.11017	3.8
557.11823	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.7
53.03938	1.0
55.01867	1.8
61.02924	0.5
64.80864	0.5
69.03448	0.9
71.33385	0.6
71.33717	0.7
74.89203	0.4
77.03937	0.6
81.03416	0.6
85.02914	3.4
91.05489	0.7
93.03432	0.6
95.04964	0.5
97.02876	1.0
103.05476	35.7
107.74240	0.5
109.10197	0.5
119.95500	0.4
121.10166	0.5
125.05998	1.1
127.03946	0.5
131.04941	100.0
133.02931	0.5
137.06003	4.6
143.05017	0.6
145.04962	0.9
145.06531	0.5
145.68597	0.4
147.07430	0.4
153.05446	2.6
161.09717	0.5
163.07561	54.7
175.07571	0.4
177.09076	0.7
177.16429	1.3
179.07005	0.6
179.63770	0.5
180.08708	0.7
191.07077	1.7
201.72205	0.5
203.07085	4.1
205.08640	1.3
213.18491	0.6
233.08028	0.7
271.09766	0.5
357.13312	0.4
391.19165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.5
55.01870	2.5
55.05508	10.5
57.03424	4.5
61.93334	2.1
67.05518	24.1
67.39448	2.5
69.03440	18.0
69.07079	14.5
71.04975	6.6
79.05485	14.6
80.71126	2.7
81.03426	36.5
81.07065	82.1
83.04983	7.3
83.08617	8.8
85.02904	8.9
85.06548	6.3
86.09719	3.2
91.05484	32.6
93.07042	21.4
95.04965	3.8
95.08607	23.7
97.02889	11.8
97.06533	12.6
99.04459	3.3
99.08103	5.9
105.07039	51.0
107.08593	24.7
109.02903	26.7
109.06520	9.6
109.10189	10.9
110.54950	2.3
113.06062	2.9
119.04951	7.2
119.08582	42.0
121.10151	31.7
123.08064	5.3
123.11714	35.2
127.03914	33.3
127.07545	6.4
131.08565	5.7
133.10141	16.8
135.08093	4.2
135.11745	3.4
137.09660	3.7
137.13263	5.7
141.09181	3.0
143.08492	3.2
145.10136	8.5
147.04425	28.2
147.11700	100.0
149.13249	4.3
157.10175	4.5
159.11720	4.6
161.13278	5.2
163.11235	2.7
165.12761	59.4
165.14160	3.8
171.11812	4.6
173.13272	9.1
175.11205	8.9
175.14842	3.0
183.13808	21.7
184.07384	5.3
187.14868	4.1
191.14334	6.6
193.12263	18.3
193.16008	2.7
201.16406	2.9
205.15918	9.4
211.13350	6.4
229.14357	77.7
245.15414	3.1
273.15033	2.5
301.14191	3.7
309.16898	4.2
319.15347	5.4
319.24414	2.4
337.16455	55.7
344.08997	2.6
355.17542	44.6
373.18515	7.4
409.30737	2.7
427.32040	3.2
437.30499	4.8
445.33356	5.6
455.31482	8.8
478.41788	2.5
483.31036	8.7
501.31909	4.8
519.33337	2.7
554.29431	4.1
555.21655	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2813
Annotation	Canthiumine
Peak:m/z	Relative Intensity
52.46818	0.5
55.05502	1.4
57.07082	1.3
67.05508	2.7
69.07089	1.2
70.90193	1.5
79.05499	1.9
81.07072	3.3
91.05484	2.6
93.07059	2.8
95.08613	3.2
95.60776	0.6
96.08932	0.7
105.07011	3.4
106.07359	1.4
107.08580	3.1
109.10155	1.7
110.10438	0.7
119.08573	4.2
120.08932	1.4
121.10156	2.7
122.10511	1.0
123.89722	0.7
124.12053	0.7
131.08594	1.4
133.10144	2.5
134.10497	0.7
135.11728	1.6
143.08514	1.0
144.08937	0.7
145.10100	3.7
146.10466	1.4
147.11664	0.8
149.13367	0.7
157.10204	0.9
158.10464	0.7
159.11731	1.4
164.23944	0.8
173.13359	0.7
174.13657	0.7
175.14836	1.1
176.15231	1.3
183.11710	0.9
199.12202	0.7
201.16444	0.6
363.16092	1.2
377.17694	2.2
378.18149	3.2
391.19125	3.5
392.19894	4.2
393.20758	7.9
396.04901	0.6
405.20868	2.3
406.21640	2.7
407.22275	8.9
420.23026	1.4
421.17230	1.0
421.18073	1.1
421.23938	7.4
422.17526	1.4
423.17801	0.9
433.20224	1.3
436.18948	1.2
437.19769	7.8
438.20172	0.8
447.21896	1.0
448.22516	1.4
451.21335	12.6
465.22961	2.5
466.23074	0.7
477.26529	5.2
479.24725	1.3
480.25192	1.6
503.24188	3.7
508.28427	1.3
509.29202	4.3
524.24219	2.7
535.26831	4.0
538.25116	0.9
552.42664	0.8
553.28143	100.0
553.42084	2.7
554.28772	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01844	3.7
58.29963	3.6
69.03419	11.9
69.42035	16.2
69.42447	9.2
74.39072	3.1
79.05491	6.9
81.03423	19.0
85.02913	15.6
91.05466	16.5
95.04956	7.4
97.02903	6.7
103.05470	12.4
105.07037	8.7
106.78189	3.5
107.04940	30.0
109.02869	6.4
115.05444	5.0
117.06991	3.8
119.04945	12.3
119.08540	3.9
121.06515	11.7
123.04456	5.8
127.03944	4.6
130.55260	3.4
131.04932	13.9
133.06477	4.4
135.08067	11.2
137.05972	75.8
137.06963	5.9
145.06508	4.1
147.04411	20.0
147.08052	4.0
149.05933	10.6
151.03900	5.0
151.07549	27.9
153.01830	4.4
153.06955	4.8
161.05983	8.6
163.07538	34.2
166.06380	3.1
167.07037	55.1
167.08463	5.1
175.07582	12.8
176.33163	4.2
177.05486	8.5
179.06985	21.5
181.08594	100.0
181.90326	3.4
187.07512	5.9
191.06987	5.9
193.08652	14.3
195.10120	20.1
205.08539	7.4
207.10133	20.9
209.11807	3.2
211.09676	10.3
213.11218	37.8
215.06961	4.3
223.09683	7.8
225.09325	3.1
225.11148	15.8
229.08530	3.7
233.08102	4.9
237.11224	10.7
253.10727	4.6
259.09586	4.3
275.08948	4.0
303.12320	4.0
321.13190	10.0
454.93872	3.6
576.84784	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	553.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52515	1.8
53.03939	3.8
55.01873	3.8
57.03416	3.2
61.02926	2.0
69.03437	14.5
69.30695	17.5
79.05499	2.9
81.03414	16.0
82.03751	2.7
85.02906	19.7
86.03256	2.5
87.00837	7.9
90.49188	2.1
91.05496	9.6
93.07063	2.3
95.04955	4.3
97.02886	19.3
99.04456	4.8
103.05497	1.9
105.01872	2.6
105.07055	3.6
107.04964	9.3
109.02889	5.7
111.00754	2.4
119.04965	7.4
121.02869	2.9
121.06523	2.4
127.03909	14.3
128.04254	6.2
131.04942	4.6
133.02713	1.8
135.04324	2.3
137.02342	5.2
137.05943	17.4
145.04942	3.7
145.06480	2.7
147.04407	8.7
151.03854	2.5
151.07558	5.4
151.21196	2.4
153.01837	8.4
154.02164	3.3
163.03899	2.2
163.07503	10.3
165.01872	4.3
167.07059	19.4
175.03873	6.6
175.07590	2.7
177.05481	4.0
179.07022	6.5
181.04892	2.7
181.08600	27.1
189.79088	2.1
195.10226	6.8
201.05499	2.8
207.06577	12.1
207.10176	6.1
207.14223	2.3
213.11208	10.3
219.10130	2.9
225.11217	4.1
229.05040	6.2
230.05301	2.6
231.05391	4.9
237.11082	3.9
257.04373	2.7
258.04816	4.2
287.04620	3.3
301.80728	2.1
303.05002	89.7
304.05328	69.3
304.08765	4.2
305.05533	100.0
321.13202	2.5
369.11935	2.1
387.14218	2.3
422.46619	2.2
553.34052	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	553.1346
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
50.01587	0.4
51.02378	0.8
53.03715	0.4
53.03951	5.3
55.01881	0.4
55.06772	0.3
57.03439	0.5
61.02932	0.3
62.11986	0.3
62.91035	0.2
68.99797	0.8
69.03436	4.3
69.13344	0.3
69.37127	1.0
69.37553	1.0
71.04987	0.9
77.03938	1.3
79.05493	2.7
81.03423	12.4
81.07047	0.3
85.02911	3.2
89.03851	0.3
91.05479	0.4
93.07050	0.4
95.04976	3.8
97.02893	8.1
99.04458	1.8
105.03396	67.2
105.04533	2.7
106.03729	0.6
107.04997	0.4
109.02883	6.1
111.00803	0.9
121.02872	2.8
123.04439	4.2
127.03926	5.0
131.04996	0.3
133.02914	0.5
135.04413	0.3
137.02333	0.8
137.05975	1.1
145.04951	1.4
147.04407	0.8
153.01839	4.8
157.06483	0.4
161.05943	0.2
165.01843	2.0
167.07082	0.4
183.02896	1.0
185.06018	0.7
189.05371	0.3
191.77701	0.2
199.03653	0.3
203.07045	0.3
213.05516	1.3
229.05106	0.3
231.06570	1.0
236.98515	0.3
241.04982	0.9
249.07596	12.9
258.05301	1.1
259.05960	0.4
267.08688	0.7
287.05508	100.0
288.05759	1.6
329.06482	0.7
350.50546	0.3
395.07556	0.4
473.86768	0.3
553.20026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	16.4
60.04976	12.5
67.05507	31.1
69.07073	19.4
69.46613	100.0
74.46087	11.1
80.49323	11.8
81.07066	34.2
91.05486	14.5
93.07037	14.8
95.08573	17.3
98.21480	20.0
104.10757	14.2
105.07035	15.9
106.77969	12.4
109.10081	16.2
123.62682	12.3
164.89322	12.1
219.11482	13.8
249.54282	13.9
445.49048	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	552.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05513	6.2
56.05020	5.6
57.07092	6.2
60.04532	22.2
60.85850	1.3
67.05191	1.6
67.05515	18.1
68.05064	1.9
69.07076	10.1
70.06594	1.5
71.08623	3.9
72.04541	1.7
74.06093	1.2
79.05506	9.2
80.05016	4.6
81.03449	1.7
81.07066	14.0
82.06597	8.2
83.08605	5.8
89.30575	1.2
90.10081	1.5
91.05477	10.1
93.07053	11.8
94.06573	21.2
95.05000	1.8
95.07339	9.2
95.08609	10.8
96.08125	3.5
97.10142	3.8
98.21539	2.7
104.23667	1.2
104.55599	1.3
105.07024	8.4
107.08605	6.8
108.08134	3.5
109.10156	4.2
113.77748	1.7
118.49021	1.3
119.08565	5.3
121.10165	6.5
122.09640	2.8
123.11700	2.6
131.68121	1.2
133.10094	3.2
135.11714	2.6
161.13182	1.4
233.22603	5.0
245.22629	4.3
250.25288	5.6
256.26367	3.8
260.23740	5.9
261.22049	1.6
262.25336	100.0
272.25888	5.3
278.24747	4.9
280.26443	11.1
296.25818	3.0
314.26633	2.4
432.47104	1.3
438.68872	1.2
450.28476	1.3
504.47626	2.5
516.47571	11.9
534.48810	25.2
552.49988	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	551.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.05512	13.6
57.03446	3.6
57.07082	35.7
65.03951	1.9
67.05511	25.9
69.03430	2.3
69.07084	9.6
69.60616	10.3
71.05006	5.6
71.08635	23.0
79.05511	13.9
81.03426	35.7
81.07059	34.2
83.04984	7.6
83.08620	18.2
85.02913	19.1
85.10198	13.1
91.05491	15.0
93.07056	8.8
93.99181	1.8
95.04986	14.9
95.08611	27.4
95.09178	1.8
96.96127	1.3
97.10183	13.0
99.11719	2.4
105.07047	12.8
107.04969	2.4
107.08632	4.0
109.06560	3.4
109.10168	11.7
111.04514	2.0
111.08096	5.3
111.11750	2.5
113.06027	2.1
119.08579	10.4
121.10194	6.3
123.08136	1.7
123.11731	4.6
125.09605	1.7
129.07050	4.1
129.21376	1.6
131.08598	5.3
133.09267	1.6
133.10194	4.6
135.11702	1.7
147.11732	10.0
149.09630	3.7
157.10175	5.1
163.11195	2.1
165.12764	2.9
175.09880	2.1
175.11168	10.4
193.12262	42.7
211.13333	40.8
267.15988	4.3
267.26913	3.6
303.05032	8.3
341.30624	3.8
498.63745	1.6
533.41742	1.8
551.43188	100.0
552.43451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.05521	14.1
57.07084	14.0
59.04958	1.5
59.50280	1.6
65.03930	3.3
67.05510	33.4
69.07074	19.3
71.08649	2.4
71.41993	3.0
74.32831	1.6
78.81200	1.6
79.05080	2.1
79.05499	26.7
81.03418	3.8
81.07065	46.7
83.04984	2.5
83.08622	13.5
85.02895	2.2
85.06531	2.1
85.10203	3.0
91.04916	2.5
91.05486	38.5
93.07050	52.2
95.04972	7.0
95.08610	46.5
95.09189	3.1
97.10175	3.2
103.05467	4.7
105.07037	73.8
105.93335	1.4
107.08599	58.2
109.06571	2.6
109.10166	41.7
111.08073	3.1
115.05482	2.3
117.07022	13.7
119.08588	100.0
121.10159	43.8
121.79909	1.7
123.08131	2.3
123.11720	15.7
128.06206	6.7
129.07014	11.6
130.07796	6.2
131.08569	30.4
133.07655	1.6
133.10138	61.5
135.11711	41.4
137.09631	4.6
141.07037	4.6
142.07790	11.4
143.08583	22.8
144.09337	7.6
145.10136	67.4
147.11711	21.6
149.09624	3.4
149.13269	6.2
155.08505	7.5
156.09360	11.2
157.10144	38.5
158.10909	5.2
159.11708	39.0
159.13049	1.9
160.12425	2.0
161.09673	1.7
161.13278	14.4
163.11244	2.5
163.14908	1.8
165.06966	2.6
166.07819	2.9
167.08621	5.8
168.09424	2.8
169.10129	16.5
170.10956	6.6
171.11684	23.8
172.12500	4.2
173.13271	22.2
175.11281	2.5
175.14832	42.0
179.08588	4.5
180.09378	3.0
181.10144	8.9
182.10924	5.1
183.11694	15.3
184.12521	2.2
185.13245	15.1
186.14052	1.9
187.14862	16.8
189.16379	3.3
192.09386	2.1
193.10161	5.7
193.12215	2.8
193.15836	2.8
194.10950	5.6
195.11739	11.3
196.12534	2.4
197.13283	20.8
199.14842	5.9
201.16399	13.3
205.15964	1.9
206.11002	1.7
207.11806	7.5
208.12556	3.5
209.13274	15.4
210.14052	2.6
211.13171	3.1
211.14874	11.1
213.16458	4.1
215.17882	2.7
219.11696	3.2
219.17567	3.6
221.13374	8.3
222.13875	1.8
223.14882	13.6
225.16399	5.8
227.18155	2.3
231.11775	2.8
233.13167	3.4
235.14891	7.0
237.16373	4.1
239.17995	4.3
241.19571	3.2
245.13461	1.7
247.14891	2.6
249.16367	4.4
251.18034	3.3
253.19617	4.1
259.14871	2.7
260.15512	1.7
261.16431	3.5
263.18051	3.0
265.19577	4.3
267.21121	5.5
271.20566	2.4
275.17953	2.8
277.19586	2.4
279.21222	2.4
283.20410	1.8
285.21924	2.0
287.18005	2.2
289.19604	3.7
297.21921	1.9
309.22232	2.0
317.22363	1.9
331.24472	1.8
345.25803	2.8
359.27405	1.8
375.27237	1.9
385.28857	2.7
429.31537	3.6
439.20401	1.9
459.36722	1.9
495.36246	4.2
533.41656	4.7
551.34460	3.2
551.42639	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.6
53.03932	3.4
54.50634	1.2
55.05513	14.0
57.07076	8.4
65.03925	2.3
67.05505	25.7
69.07070	19.1
71.08642	1.3
71.23814	2.1
77.03940	1.5
79.05495	26.6
81.03421	2.4
81.06595	2.4
81.07059	39.0
81.07536	2.1
83.08620	9.1
85.06551	3.2
91.05480	39.2
93.07043	55.0
95.04964	6.3
95.08608	45.0
97.10145	2.4
103.05460	3.1
105.04542	1.6
105.07034	72.0
107.08595	57.0
108.08905	1.1
109.06531	2.7
109.10156	38.1
111.08044	1.7
114.45570	1.0
115.05473	4.5
116.06265	1.6
117.07030	13.1
119.08584	100.0
121.10143	55.3
123.08061	2.3
123.11709	13.1
125.09660	1.2
128.05385	1.2
128.06161	5.9
129.07014	9.7
130.07802	8.7
131.08572	28.0
133.07513	1.7
133.10136	59.4
135.11693	34.5
137.09656	3.9
137.13293	1.8
141.07033	3.9
142.07770	14.2
143.08580	23.5
144.09332	6.6
145.10127	67.7
146.10965	1.5
147.11691	21.7
149.09627	3.0
149.13266	4.7
151.14827	1.6
153.07019	2.3
154.07764	2.0
155.08562	7.1
156.09378	9.9
157.10133	37.9
158.10930	5.7
159.11703	36.8
160.12402	1.8
161.13277	11.4
163.11192	3.0
163.14792	2.9
165.07033	2.4
166.07726	1.2
167.08597	5.4
168.09334	3.4
169.10132	16.3
170.10886	6.6
171.11703	22.3
172.12500	2.1
173.13263	26.9
175.14816	38.9
175.16306	2.4
177.12804	1.5
177.16501	1.3
179.08586	5.8
180.09291	3.2
181.10138	8.1
182.10924	6.4
183.11711	16.1
184.12547	1.5
185.13263	14.4
186.13846	1.3
187.14821	14.9
189.16420	2.9
193.10178	6.8
193.12245	1.2
194.10957	3.7
194.23120	1.2
195.11703	9.9
196.12480	5.3
197.13269	21.0
198.13959	1.8
199.14841	10.7
201.16394	13.9
203.17998	1.4
205.10190	2.8
205.15926	1.6
206.10941	2.9
207.11734	7.9
208.12479	4.3
209.13246	15.8
210.13925	1.8
211.13420	1.2
211.14859	12.1
213.16415	5.2
215.18051	1.6
219.11690	2.4
219.17484	5.2
220.12485	3.0
221.11472	1.1
221.13268	7.5
222.14026	2.0
223.14790	10.0
225.16438	5.8
227.17938	2.2
229.15686	1.2
232.12537	2.1
233.13354	3.0
234.14038	1.6
235.14816	5.5
237.16412	4.7
238.43224	1.2
239.18005	4.9
241.19577	3.9
243.17450	1.8
245.13287	2.9
246.14000	1.7
247.14870	3.4
249.16460	4.3
251.18045	4.5
253.19589	4.8
255.17410	1.5
255.21176	1.3
257.19067	3.0
259.14832	2.4
259.20633	2.4
261.16464	3.1
263.17960	3.4
265.19623	3.5
267.21106	3.9
271.20654	1.7
275.17969	3.2
276.18710	1.2
277.19556	2.9
279.21207	1.7
283.20642	2.6
285.16357	1.4
285.22137	2.9
287.18134	1.6
289.19540	2.5
291.21094	2.2
295.20764	1.6
303.20935	1.7
322.87732	1.3
330.23007	1.3
333.25757	2.2
337.25369	1.2
345.25790	3.7
349.25125	1.5
359.27542	2.1
391.29980	1.8
397.28867	2.2
398.29776	1.5
400.50238	1.3
416.30801	1.3
429.31348	2.7
459.35971	2.3
462.20267	1.1
471.36569	1.4
533.41522	4.7
551.26257	1.9
551.42523	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
53.30404	2.9
55.01867	15.7
65.03931	8.3
67.05503	4.2
69.03421	6.3
79.05495	7.4
81.03413	5.8
81.07052	3.9
85.02905	6.9
91.05466	15.3
93.03391	6.4
93.07054	3.2
94.04178	6.0
99.04446	3.8
103.05462	10.7
105.07017	9.3
106.21717	3.0
107.04955	13.7
109.06545	5.1
111.04414	5.5
115.05459	8.3
117.03376	5.5
119.04974	7.2
119.08597	6.5
121.02858	5.8
122.03639	7.9
123.04485	4.2
125.06000	9.9
131.04941	19.5
133.02904	6.5
133.06450	6.1
135.04402	3.9
137.05981	100.0
143.05028	4.1
145.02858	4.6
145.06485	7.9
147.04436	15.9
147.08109	4.5
149.05960	9.1
151.03903	27.6
151.07545	52.2
153.05447	12.7
159.04446	5.8
161.05981	26.7
163.03853	17.7
163.07532	8.6
165.05580	4.6
165.07008	3.7
167.07042	74.2
175.07582	21.0
177.05421	15.9
177.09233	4.4
181.08598	3.9
187.07497	3.9
189.09125	9.6
191.06989	5.5
191.08621	3.3
193.08591	14.7
195.10167	4.5
197.06059	4.5
203.06964	4.8
207.10187	6.5
209.05797	3.3
212.08226	3.3
219.08223	4.7
219.10188	4.2
221.06148	4.2
221.07976	18.7
222.06854	4.0
223.07513	5.7
224.08356	5.9
225.09094	5.1
238.06468	3.9
241.08624	4.6
247.07530	4.3
249.09169	3.9
251.06981	4.8
252.07704	3.5
253.08615	14.2
255.10228	5.0
265.08621	9.8
266.09381	4.9
267.10184	5.6
277.08585	5.5
279.10229	4.7
281.08264	3.7
281.11731	5.9
283.09497	6.6
285.11295	4.6
287.12634	25.6
291.10141	6.0
295.09607	7.2
297.11240	9.7
303.05035	23.8
309.11365	17.3
311.09143	4.3
313.10608	9.0
313.14203	6.6
323.12643	5.0
327.12198	29.3
335.12732	9.2
339.12195	5.2
341.13806	20.0
355.15256	4.7
359.14938	51.9
367.15482	5.2
371.14713	3.8
387.17947	4.9
489.18887	4.9
521.17743	5.2
523.23346	4.6
533.19879	3.9
551.22668	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	551.224
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49374	1.7
81.03436	1.6
115.05512	1.5
117.06996	1.6
118.06555	18.3
121.02850	1.4
132.08090	5.3
137.02324	1.9
137.32425	1.3
142.06511	3.3
143.07274	2.4
144.08125	8.6
146.06017	60.1
148.81306	1.3
153.01859	1.4
159.09222	7.0
163.03844	2.0
170.06036	3.8
188.07068	100.0
189.07266	1.6
194.18799	1.4
195.03136	1.3
201.05463	1.6
205.09743	35.9
205.11705	1.9
229.04977	3.5
285.04031	2.0
303.05008	51.7
303.51944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1036
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.22523	0.1
52.92705	0.1
55.01860	0.3
65.03934	0.2
67.01859	0.2
68.99796	0.8
69.03421	0.6
69.65180	0.8
73.02904	0.2
81.03414	0.8
85.02903	1.0
87.00833	0.3
89.48914	0.1
93.03421	0.2
95.04969	0.3
96.72374	0.1
97.02882	0.3
98.20735	0.2
99.04428	0.2
102.74919	0.1
105.01860	0.2
107.01329	0.1
109.02872	1.2
111.00803	1.0
119.04972	0.1
121.02898	1.2
123.04437	0.3
127.03923	1.2
131.04933	0.3
135.04398	0.3
137.02347	4.4
137.03380	0.2
137.05899	0.2
145.05009	0.3
145.06439	0.2
147.04460	0.2
149.02374	0.7
151.03947	0.3
153.01831	4.5
155.04935	0.3
159.02950	0.2
159.04337	0.2
161.05988	0.4
163.03899	0.8
165.01843	2.3
166.02606	0.4
166.08585	0.1
173.06012	0.5
177.01828	0.2
177.05530	0.2
177.12086	0.1
179.03371	0.1
183.02879	1.2
183.04414	0.4
187.03931	0.5
191.03323	0.2
195.02859	0.3
201.05492	2.2
205.04999	0.2
207.02901	0.2
213.05534	0.2
215.03362	0.2
219.02971	0.3
219.06577	0.3
228.04056	0.2
229.04971	5.3
239.03369	0.2
246.05194	0.2
247.06055	0.8
257.04453	3.3
274.04749	0.9
275.05392	0.3
285.03949	1.4
286.04324	0.1
302.04257	0.2
303.04990	100.0
304.05371	1.1
345.05963	0.1
389.13028	0.1
465.10339	1.0
551.10272	1.4
551.18561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01871	0.3
61.02928	0.2
65.03934	0.2
67.98618	0.1
68.99788	0.6
69.03425	0.7
69.19286	0.7
69.19699	0.9
69.81950	0.2
70.25957	0.2
75.43151	0.1
81.03425	0.7
85.02905	0.8
87.00836	0.3
93.03429	0.3
95.04999	0.3
97.02901	0.3
101.00748	0.1
101.84859	0.2
109.02885	0.9
111.00838	0.8
121.02889	1.2
123.04416	0.4
127.03944	1.6
131.04924	0.4
135.04411	0.2
137.02347	4.1
137.03406	0.2
137.05968	0.4
139.03882	0.3
145.02800	0.2
145.04955	0.4
145.06480	0.3
149.02374	0.4
151.11868	0.2
153.01842	4.4
159.02826	0.3
161.06003	0.5
163.03944	0.7
165.01836	2.2
166.02583	0.3
167.07097	0.2
173.06018	0.4
180.09311	0.2
183.02910	0.8
183.04369	0.3
187.03932	0.5
191.03435	0.3
195.02945	0.4
201.05493	1.8
205.04893	0.2
207.02943	0.2
213.05525	0.2
219.02892	0.2
228.04166	0.3
229.04987	4.7
231.04898	0.2
232.03723	0.2
239.03291	0.2
247.06279	0.8
257.04449	2.9
274.04816	0.7
275.05472	0.2
285.03894	1.1
303.05008	100.0
304.05429	0.8
409.37225	0.2
465.10269	1.3
551.10217	1.9
551.19092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01875	1.8
57.03430	1.0
61.02932	1.1
65.03941	0.2
68.99794	1.7
69.03435	5.7
70.06581	0.2
71.01354	0.4
71.04986	0.9
71.49115	0.3
73.02928	1.4
73.22547	0.2
81.03423	7.5
83.01332	0.2
85.02913	10.5
87.00841	4.6
91.03953	0.5
91.05489	0.3
93.03454	0.3
95.04943	0.3
97.02898	3.8
99.04460	2.0
105.01867	2.6
108.52955	0.2
109.02888	6.2
111.00809	1.0
117.01875	1.0
121.02875	1.1
123.04428	0.3
127.03933	8.0
129.01836	0.8
131.04910	0.3
133.06506	0.3
135.04398	0.4
137.02353	4.7
137.03351	0.3
137.05978	0.8
145.04984	2.3
147.02890	0.4
147.04402	0.5
149.02370	0.6
151.03903	0.6
153.01840	3.9
155.04987	0.4
159.02916	3.8
159.04167	0.4
161.06007	0.5
163.03889	0.7
165.01840	2.2
165.09167	0.2
166.02605	0.4
167.03413	0.2
167.07152	0.2
173.05980	0.4
177.03944	0.2
177.05386	0.2
179.03409	0.2
183.02892	0.9
183.04323	0.4
187.03938	0.5
189.02019	0.2
189.03888	0.3
191.03383	0.3
195.02893	0.4
199.16086	0.2
201.05475	1.8
205.04900	0.3
213.03908	0.3
215.03467	0.2
219.02959	0.3
219.06584	0.4
225.05513	0.2
228.04117	0.3
229.04968	4.2
229.07069	0.4
231.04970	1.0
238.87909	0.2
239.03358	0.2
246.04901	0.2
247.06013	0.7
257.04453	2.7
274.04706	0.9
275.05594	0.6
285.03848	1.3
299.05621	0.6
302.04163	0.5
303.05005	100.0
304.05374	1.0
313.07260	0.2
315.04990	3.0
316.05890	0.4
327.05060	2.3
329.06763	0.3
341.06635	0.7
343.96555	0.2
345.06064	7.1
369.06018	1.9
393.05890	0.8
411.07196	2.4
515.08252	0.5
523.08618	0.2
533.09100	0.4
551.10284	0.3
551.19373	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1033
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03936	2.2
53.04155	0.4
54.63264	0.5
55.01859	2.1
57.03418	1.4
59.53981	0.5
61.02919	1.1
65.67191	0.5
68.99787	1.9
69.03438	7.8
69.92293	2.2
71.04974	1.3
73.02913	1.5
81.03420	10.4
85.02903	10.9
87.00835	7.4
97.02900	4.8
99.04439	2.2
105.01875	3.4
109.02889	6.1
111.00803	1.3
117.01852	1.2
121.02845	0.8
127.03925	8.4
129.01891	0.6
137.02336	4.2
145.04991	2.9
147.02817	0.6
149.02336	0.7
153.01854	6.2
159.02895	4.5
163.03906	1.2
165.01863	3.1
183.02893	0.8
201.05450	2.6
229.04953	6.6
231.05072	1.0
243.45497	0.5
247.06004	0.7
257.04449	4.0
274.04776	1.1
285.04010	1.3
303.05002	100.0
304.05283	0.6
388.53925	0.6
497.95200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
59.51193	0.1
65.03950	0.2
67.01109	0.1
68.99787	0.9
69.03419	0.6
71.04995	0.2
73.02929	0.2
81.03423	0.8
85.02907	0.8
87.00813	0.3
93.03419	0.3
95.04980	0.3
97.02897	0.4
99.04472	0.2
105.01878	0.3
105.07029	0.2
109.02884	1.1
111.00802	0.8
121.02862	1.0
123.04441	0.4
127.03929	1.5
131.04944	0.2
135.04381	0.3
137.02359	4.3
137.03386	0.2
137.05942	0.3
145.06502	0.3
149.02321	0.6
151.19640	0.1
153.01842	4.9
155.04910	0.5
159.02878	0.2
161.06015	0.4
163.03966	1.0
165.01862	2.5
166.02614	0.4
167.07112	0.2
173.06015	0.5
177.05421	0.3
183.02896	0.8
183.04459	0.5
187.03964	0.3
195.02902	0.3
201.05499	2.0
205.04927	0.2
211.03868	0.2
215.03311	0.2
219.06459	0.3
223.91888	0.1
228.04214	0.2
229.04979	4.9
230.05391	0.1
231.04991	0.2
239.03510	0.2
247.06064	0.8
257.04483	3.3
274.04739	0.9
275.05435	0.2
285.03986	1.4
303.05014	100.0
304.05411	1.2
304.08539	0.2
345.06088	0.2
465.10489	1.0
551.10065	1.3
551.18976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01879	6.6
55.05518	27.6
57.03439	25.0
57.07081	4.9
65.03931	3.6
67.05515	93.3
68.05843	4.1
69.07078	30.4
71.04998	8.1
71.12997	2.6
74.98679	2.3
79.05502	75.5
81.03435	12.8
81.07067	70.6
83.04987	13.8
83.08626	15.1
91.05485	37.2
92.05828	2.7
93.07053	84.8
95.04955	8.2
95.08618	51.6
97.06548	14.9
97.10177	15.7
98.21531	8.2
105.04527	3.8
105.07050	16.7
107.04994	3.1
107.08612	58.8
109.10169	22.8
111.08103	4.5
117.07038	7.8
119.08594	15.9
121.10161	20.7
123.11745	7.4
125.09644	4.5
131.08540	8.1
133.10149	13.0
135.10712	5.1
135.11703	73.8
137.09610	2.9
145.10156	16.5
147.11714	6.8
149.13333	6.3
153.12781	4.4
159.11694	5.1
161.13245	3.8
163.11185	8.8
181.12221	16.9
193.12270	4.8
243.20879	2.9
253.71709	2.9
255.15936	100.0
261.22192	17.0
291.23032	3.0
303.05035	5.0
321.19553	2.7
335.25827	80.7
336.26068	4.8
384.90872	3.2
413.75839	2.9
515.37384	80.6
516.38104	3.8
532.40039	4.4
550.41382	13.9
550.62964	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	549.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67866	1.0
51.02374	1.1
53.03940	4.1
55.01869	2.5
55.05513	33.7
55.44703	1.1
56.79490	0.9
57.03447	5.9
57.07083	7.5
63.53999	1.0
65.03926	2.3
67.05508	42.1
68.27893	1.0
69.03431	1.5
69.07071	33.4
71.04998	2.9
71.08633	3.1
77.03963	1.4
79.05495	24.5
79.91387	1.2
81.03424	38.2
81.07059	45.9
83.04980	9.2
83.08620	34.1
85.02910	18.6
85.06539	2.7
85.10186	1.9
91.05484	20.4
93.07045	18.9
95.04978	18.8
95.08610	32.4
97.02868	1.7
97.06526	2.6
97.10172	12.8
98.21525	2.8
98.53574	1.0
99.08133	1.9
105.07028	14.5
107.04967	3.2
107.08595	12.8
109.06519	2.9
109.10162	11.8
111.04423	2.0
111.08089	8.7
111.11723	4.0
113.05997	1.9
113.47548	1.1
117.06986	1.5
119.08592	14.7
121.10146	17.7
123.11705	5.5
123.90612	1.0
125.13288	1.0
129.06978	6.0
131.08557	6.1
133.06482	1.5
133.10130	6.7
135.10675	1.7
135.11688	11.5
137.09547	1.1
139.11201	1.4
142.07843	2.4
145.10149	1.8
147.08025	2.1
147.11697	9.6
149.09645	4.5
149.13293	3.8
151.14830	1.2
157.10149	7.7
165.12814	2.4
173.13287	1.1
175.11206	8.7
189.11076	1.1
193.12259	39.2
211.13284	50.5
247.24312	1.8
265.25250	8.5
267.16028	3.9
276.86917	1.0
339.29062	3.1
457.36728	1.5
531.40228	3.9
549.41528	100.0
550.41901	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
54.00815	2.0
55.01873	4.9
55.05516	46.2
57.03441	12.7
57.07085	9.6
57.22185	1.5
65.03932	3.5
67.05510	78.7
69.03445	2.8
69.07073	55.1
69.41430	11.5
69.41850	4.0
71.05009	10.0
71.08624	6.3
77.03986	1.8
79.05498	43.1
81.03423	49.3
81.07061	83.3
83.04984	10.7
83.08627	40.6
85.02921	24.8
85.06540	2.8
85.10194	2.8
91.05482	41.1
93.07047	37.6
95.04979	19.6
95.08612	55.1
97.02835	2.0
97.06534	7.5
97.10172	19.7
98.20763	3.0
99.08115	2.8
105.07041	32.3
107.04982	5.0
107.08602	29.5
109.06517	5.3
109.10168	44.2
111.04486	2.0
111.08099	11.3
111.11720	4.4
115.05435	2.3
117.07006	5.2
117.65758	1.7
119.08591	23.3
121.10151	23.0
123.08049	3.3
123.11711	12.6
125.09608	2.7
129.07018	8.3
131.08563	13.1
133.10132	33.8
135.11700	15.7
145.10194	4.7
147.11667	13.2
149.09628	4.4
149.13281	7.8
151.11212	14.5
157.10120	11.6
159.11681	3.3
161.13335	3.3
162.15791	1.9
163.14879	4.5
165.12827	3.3
167.89027	2.0
169.12370	2.5
173.13310	2.9
175.11221	12.9
193.12250	47.0
211.13303	59.0
240.60081	2.0
240.64354	2.3
247.24208	2.6
253.14397	29.3
261.22162	10.7
265.25415	9.1
267.15997	7.3
271.15469	15.8
335.25766	9.7
339.29007	5.3
513.36029	3.7
531.37292	6.5
549.24249	4.5
549.41559	100.0
550.42334	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01868	5.0
56.81189	1.6
57.03424	6.1
57.28027	1.6
59.05003	1.8
59.94353	1.6
60.53336	1.9
61.02913	10.4
61.63408	1.5
62.20778	1.9
67.05497	3.5
69.03097	2.0
69.03432	29.8
71.04980	4.2
71.49116	1.4
71.49506	1.8
73.02901	4.2
79.05486	5.1
81.03429	11.9
81.07057	4.9
85.02911	100.0
87.04484	2.2
91.03954	5.3
91.05482	4.4
93.07041	3.7
95.05001	3.2
95.08600	6.4
97.02896	31.3
97.06525	4.6
99.04440	7.6
105.07039	6.5
107.08598	3.7
109.02895	10.3
109.06515	6.3
109.10148	2.3
111.04453	2.3
117.06988	2.3
119.08577	5.4
121.06537	2.7
121.10191	4.0
122.03607	4.1
122.07281	1.9
123.08069	48.3
125.06007	3.2
127.03921	26.8
131.08574	3.4
133.06483	4.7
133.10095	6.5
135.08118	2.8
136.24692	1.6
137.05978	42.8
145.03941	2.8
145.04979	40.2
147.11647	2.2
149.09627	4.4
151.03925	2.7
151.07550	74.1
153.09125	4.6
163.06013	5.0
163.11201	16.4
167.07028	5.0
171.06575	2.0
177.73782	1.7
179.07051	2.2
181.04968	4.6
181.12279	11.1
189.07564	1.7
189.12772	16.5
189.88513	1.8
191.14394	3.5
197.10793	2.1
198.07858	1.8
199.08688	8.2
203.06920	2.7
207.13812	68.9
207.15778	3.3
209.15367	10.4
211.08789	9.3
212.09482	3.0
213.10242	10.6
214.11017	4.0
223.13264	2.3
225.10237	12.1
225.14847	14.1
226.07364	13.2
226.10910	3.9
227.08130	16.0
227.11821	4.6
239.11755	6.0
240.08971	3.3
240.12587	5.1
241.07735	1.8
241.09821	13.2
242.10400	12.6
253.09702	8.3
254.10252	3.1
255.11293	7.8
257.12894	16.6
267.11243	10.5
268.08530	2.7
268.12000	10.0
269.09290	2.7
269.12671	4.6
284.11646	2.6
285.12326	3.6
295.10742	6.9
296.11594	12.7
297.12311	3.0
301.07172	3.7
313.11844	27.8
314.12537	15.2
341.11212	3.9
342.12106	47.5
357.13321	8.3
369.19028	2.8
373.13831	6.0
387.14148	6.0
387.20059	8.5
443.14679	4.4
457.12372	5.1
471.13974	4.3
473.15375	3.7
477.76486	1.9
489.15167	23.4
498.56381	2.0
499.13483	4.0
517.14563	91.8
531.23907	4.0
549.17322	55.2
549.25470	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01870	1.4
58.72836	1.1
64.31155	1.0
65.03933	2.2
67.05494	2.8
69.03430	1.9
69.42807	2.4
69.43232	5.1
79.05492	4.2
81.03415	4.5
81.07057	2.4
85.02898	2.7
91.05488	7.6
93.07038	1.4
94.04194	2.9
95.04971	4.3
95.08598	1.1
97.06533	2.4
103.04821	1.3
103.05472	18.3
105.03407	1.7
105.07026	6.1
107.04962	4.8
107.08581	2.4
107.42292	1.2
108.05733	1.9
109.02895	1.7
109.06535	2.5
109.10181	1.2
111.04450	1.8
115.05449	6.2
117.07024	4.5
119.04955	6.7
121.02856	1.1
121.06493	3.2
121.10205	1.4
122.03664	6.8
123.04430	4.2
123.08057	1.2
124.05218	1.3
125.05997	3.1
129.07002	2.5
130.04202	1.7
131.04939	33.5
131.08560	1.2
132.05740	2.0
133.02859	2.6
133.06493	4.6
135.04443	1.3
135.08105	1.4
136.05180	2.4
137.05981	77.5
139.07584	1.6
143.04941	2.7
144.05719	1.1
145.02855	2.2
145.06531	9.4
147.04430	8.2
147.08067	3.1
148.05180	2.6
149.05992	3.9
151.03917	30.0
151.05025	2.7
151.06439	1.7
151.07542	19.3
152.08340	1.6
153.05499	4.9
154.06282	1.0
155.06065	1.4
157.06468	1.6
159.04463	1.3
159.08064	2.6
160.05344	2.0
161.05971	7.6
162.06750	4.3
163.03871	6.6
163.07539	9.1
165.05475	3.5
165.06874	1.3
165.09129	2.1
167.07079	8.2
169.10194	1.2
173.05983	2.9
175.07571	7.1
176.08398	1.9
177.05499	8.6
177.09106	5.7
181.04944	9.2
181.08534	1.2
187.07588	2.8
189.05482	1.8
189.09126	4.6
190.06288	1.5
191.07033	25.8
193.08609	1.0
195.08087	1.3
203.07042	2.5
205.08646	3.2
207.08154	1.1
211.07484	1.4
217.08591	2.9
219.10164	1.3
220.84750	1.1
224.08411	1.6
230.60213	1.1
233.05959	1.4
237.09221	5.6
238.09819	2.2
241.08607	1.6
253.08818	1.1
254.09407	1.4
262.40759	1.1
263.07007	1.2
263.09412	1.1
265.08673	1.4
269.11780	5.5
274.60312	1.1
284.10419	3.4
285.11273	1.5
297.11264	3.4
307.09616	1.4
325.10718	2.1
327.12424	1.5
329.13940	2.5
338.11597	1.6
355.11743	1.9
357.13287	1.3
385.16791	1.3
387.14487	2.7
478.16223	2.2
487.17654	1.3
517.18610	100.0
518.18909	2.1
522.76648	1.2
549.21204	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	549.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03444	1.2
60.85142	1.0
67.70042	0.9
69.03413	1.3
85.02905	4.2
94.06561	1.1
97.02898	2.1
109.02920	1.5
111.97450	1.2
115.51718	1.2
122.03667	1.4
123.08084	1.2
137.05997	18.8
146.05962	1.1
148.07610	2.1
151.07559	2.0
167.07048	3.8
171.70676	1.1
173.05989	1.4
181.04993	2.3
191.14291	1.7
197.10803	2.5
198.07794	1.9
198.11542	1.2
199.08615	8.4
199.12334	1.2
207.13814	5.9
211.08647	7.9
211.12383	1.7
212.09348	5.3
213.10271	11.9
214.07498	1.7
214.10930	2.9
216.33272	1.1
225.10236	21.9
226.07397	8.1
226.10820	7.3
227.08165	14.2
227.11693	7.4
239.11768	11.8
240.08896	2.1
240.12619	4.9
241.09740	15.3
241.13364	2.2
242.10490	12.1
251.11784	1.9
252.08878	2.1
253.09734	12.1
254.10315	1.9
255.11310	13.6
257.12863	33.3
265.09665	1.6
267.11304	12.5
268.09052	1.4
268.12039	14.7
269.12848	5.1
271.10590	1.3
273.12289	1.8
280.12192	6.0
281.09171	2.5
283.10748	1.4
284.11484	3.0
285.12396	7.1
286.09586	1.3
286.13049	1.6
295.10733	9.5
296.11615	13.0
297.12292	4.9
298.13028	1.9
299.10257	1.4
301.07147	2.8
313.11832	54.1
314.12561	20.9
315.13437	1.7
323.10190	2.1
341.11380	4.8
342.12140	35.6
355.13132	1.3
356.13602	1.3
357.13458	1.8
373.13937	12.7
374.14664	4.5
383.12521	1.6
387.14819	2.1
411.11737	1.2
415.15256	1.3
429.12900	2.0
433.16187	1.8
443.14841	9.0
455.14285	2.7
457.12439	3.6
471.14096	6.4
473.15799	6.0
489.15054	48.5
499.13550	2.4
517.14569	61.1
531.15924	1.8
549.17218	100.0
550.17462	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.51180	1.1
69.03419	3.7
71.48676	1.4
77.69403	1.2
81.03429	1.7
85.02905	5.7
91.05488	1.5
93.07060	1.2
97.02899	2.8
107.04948	1.5
122.03615	2.1
123.08020	2.2
127.03945	2.6
137.05998	25.9
145.04961	2.2
151.07558	2.3
163.11203	1.4
167.07036	4.8
168.58321	1.3
173.05940	1.3
181.04929	4.4
197.10770	2.6
198.07825	2.1
198.11591	1.9
199.08667	11.0
207.13794	5.1
211.08653	10.5
212.09431	3.9
213.10237	13.6
214.07329	1.2
214.10953	2.0
219.08141	1.3
222.09172	1.1
225.10216	15.7
226.07414	13.2
226.10915	6.3
227.08173	18.2
227.11650	7.4
233.07983	1.8
237.10011	1.3
239.08144	1.5
239.11781	6.4
240.08929	3.5
240.12570	5.0
241.09770	15.3
241.12019	1.5
241.13338	2.5
242.10500	16.8
247.07745	1.5
251.08093	1.3
253.09738	9.7
254.10478	3.5
255.11304	10.7
257.12900	21.2
267.11270	11.3
268.09076	2.2
268.12088	14.4
269.09225	3.3
269.12839	5.7
271.10791	1.9
273.11853	1.3
277.08633	1.5
280.12079	2.4
281.09323	2.6
285.12332	2.8
286.13049	1.9
295.10715	5.9
296.11520	11.4
297.12381	3.3
299.10489	1.6
307.09567	1.9
313.11819	32.7
314.12637	17.3
339.12717	2.1
341.11505	6.1
342.12125	59.5
343.12134	2.4
355.12720	2.1
357.13275	4.3
369.13339	5.0
373.14011	5.7
374.14410	2.9
383.12369	1.5
387.14594	7.0
401.09940	3.0
417.13013	1.6
429.12903	2.6
433.15918	2.0
443.14447	4.7
457.12177	5.0
471.13885	5.3
473.15472	3.1
475.13358	1.7
489.15070	33.9
499.12943	2.6
517.14563	100.0
518.14929	1.9
531.15607	3.3
549.17255	60.1
550.17615	2.0
554.42212	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03460	0.7
55.01868	1.0
69.03419	1.3
69.47086	2.0
69.47506	3.6
74.29719	0.7
85.02896	2.4
91.05500	0.9
97.02872	0.9
99.16501	0.8
122.03677	1.3
123.08067	0.8
132.55278	0.7
137.05984	15.3
145.04868	0.8
146.05966	1.2
166.04857	0.9
167.07108	2.1
168.06633	1.1
173.05984	1.2
178.05031	1.0
181.04977	2.5
197.10728	2.3
198.07860	1.9
199.08673	7.4
201.10242	1.5
207.13863	5.1
211.08672	8.8
211.12267	1.1
212.09496	3.3
213.10229	10.9
214.07408	1.8
214.11006	2.4
222.09129	1.2
224.10808	1.0
225.06732	0.8
225.10222	20.2
225.45544	0.7
226.07362	8.0
226.10953	7.9
227.08221	12.9
227.11697	8.6
228.08881	1.3
237.10132	0.8
239.08118	1.5
239.11798	9.9
240.08987	2.0
240.12558	6.2
241.09746	15.8
241.13460	2.8
242.10452	10.3
249.10225	1.2
251.08423	1.1
251.11757	1.8
252.08925	0.9
253.09724	12.8
254.10399	3.6
255.11263	12.4
257.12875	36.4
259.10873	0.8
265.09677	1.1
267.11298	17.1
268.08545	2.4
268.12082	13.7
269.09247	2.3
269.12848	3.2
270.09943	1.5
271.10822	2.6
279.11368	1.3
280.12039	3.8
281.09229	2.2
284.11542	2.9
285.12390	6.7
286.13202	2.3
295.10779	12.6
296.08167	0.8
296.11575	12.7
297.12393	4.1
298.13123	2.1
299.10233	1.4
300.11188	1.5
301.07144	2.5
313.11844	53.5
314.12598	23.3
315.13327	1.9
323.10406	2.1
324.11154	1.3
341.11462	5.2
342.12131	34.7
342.16351	1.7
343.04428	1.3
345.14478	1.2
355.12762	1.2
357.13562	2.4
373.13980	11.7
374.14597	6.2
383.12488	1.4
401.09567	2.0
401.14169	1.0
403.06900	0.9
415.15030	1.3
417.12610	1.0
429.13028	2.2
433.16217	2.7
443.14670	7.4
455.14664	1.3
457.12625	3.7
461.15652	1.5
471.14178	6.3
473.15613	5.6
475.13013	1.0
489.15076	50.6
490.15710	1.1
499.13388	2.9
517.14581	59.6
517.98438	0.9
531.16113	2.4
549.17194	100.0
550.17285	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14579	0.6
67.49029	0.5
69.22429	1.0
69.22880	3.4
69.23241	0.4
73.18988	0.5
93.08073	0.6
98.97576	2.3
107.75112	0.4
116.98593	1.3
177.00986	0.6
180.96820	0.5
198.97899	1.2
216.98999	3.3
219.01974	1.2
222.97911	1.6
223.98425	0.6
234.99994	6.4
240.98961	10.4
253.00893	0.5
259.00021	35.7
260.00150	2.6
261.00433	0.9
261.03070	3.7
262.03113	1.2
263.02826	1.1
264.98849	3.2
273.98721	1.2
274.97507	0.6
277.01074	18.4
278.01163	1.1
279.00931	0.9
283.00003	99.5
284.00024	4.5
284.99930	2.3
291.99652	1.0
298.97855	0.6
301.01071	100.0
302.01050	3.5
303.00894	2.3
316.98886	0.8
319.02170	3.2
324.02652	2.1
336.95297	0.6
359.00229	1.0
364.98993	1.3
383.00125	2.1
398.98111	0.8
401.01392	6.9
402.01300	2.2
407.00165	4.9
425.01178	45.7
426.01428	2.6
427.01154	0.7
443.02258	82.8
444.02493	4.1
445.02396	1.4
466.04056	3.4
506.97012	1.6
516.49591	0.7
525.01068	0.9
525.94232	0.7
526.01398	1.4
536.48810	0.6
536.99841	1.0
537.49390	0.8
549.01379	19.6
550.01477	1.3
567.02386	28.9
568.02887	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03881	0.3
69.18356	0.2
69.18670	2.5
96.80120	0.3
110.41710	0.3
112.53134	0.3
114.23811	0.3
124.81151	0.3
125.52021	0.3
141.74617	0.3
143.29388	0.3
145.96416	0.3
166.78500	0.3
170.66643	0.3
183.16385	0.3
214.04788	0.3
321.51804	0.3
374.14853	0.6
376.16595	0.4
387.16116	0.9
388.16324	1.3
389.17358	1.2
390.17969	1.4
401.17764	0.8
402.18234	2.3
403.19073	2.6
404.19562	4.4
405.20493	0.8
415.19287	0.6
416.20129	1.5
417.20883	2.1
418.21359	4.7
419.22086	1.8
430.17072	0.6
430.22180	0.4
431.17709	2.8
432.18439	5.1
432.23969	0.5
433.19263	0.3
433.24075	2.7
434.24350	11.4
444.18430	0.4
445.19580	2.5
446.20087	8.4
447.20987	2.6
458.20715	0.4
459.21411	0.5
460.21887	4.0
461.22958	13.2
462.23734	9.9
473.23752	0.6
474.23804	3.3
475.24744	1.6
488.25528	0.8
489.26285	0.6
505.25360	0.4
520.27899	2.2
533.25122	1.1
548.27435	100.0
549.27655	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56846	1.6
53.03934	7.0
55.01868	5.2
55.05265	2.7
55.05512	27.3
57.03444	9.8
57.07069	5.8
60.78448	2.0
65.03928	6.7
67.05508	94.6
69.03428	3.5
69.07076	22.9
71.01360	1.6
71.04994	8.3
71.08623	4.6
71.09516	1.9
74.80408	1.7
79.05496	49.8
79.05967	2.4
81.03419	46.1
81.03873	3.2
81.07058	100.0
81.98775	1.8
83.04978	11.5
83.08154	2.6
83.08620	29.3
85.02908	25.8
85.06545	4.4
86.21896	1.5
91.05489	45.6
91.66418	1.5
93.07048	33.4
95.04967	24.7
95.08612	58.3
97.02892	3.4
97.06541	7.0
97.10188	11.1
98.20701	3.9
99.08118	2.0
105.07033	30.8
107.04976	5.0
107.08590	17.5
109.06527	6.1
109.10157	25.9
111.04460	3.1
111.08140	10.2
113.05978	3.1
117.07004	3.6
119.08587	26.7
121.06498	1.8
121.10157	20.9
123.08059	3.8
123.11706	13.6
125.09659	2.9
129.07050	7.7
131.08583	13.7
133.10123	15.0
135.11665	9.3
137.09625	5.0
137.13306	2.8
142.07791	3.8
143.08563	2.6
145.10120	6.7
147.11694	15.2
149.09651	6.2
149.13312	2.1
153.12711	2.2
157.10129	11.4
161.13266	5.5
163.11172	4.0
163.14857	2.2
165.12775	4.0
168.00000	1.5
171.11737	1.7
173.13277	2.6
175.11215	12.8
175.14819	4.0
177.16595	1.8
193.12256	52.6
195.76756	1.8
196.04051	1.6
211.13278	49.7
227.12875	2.1
245.22812	1.9
249.14735	1.9
263.23761	7.0
267.15952	6.3
337.27444	3.6
371.32068	1.7
437.33856	3.1
455.35687	3.6
520.90625	1.9
529.39105	14.6
547.39978	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.1
53.03949	4.7
53.55708	1.1
55.01876	4.3
55.05515	29.0
56.05852	1.2
57.03440	10.2
57.07074	6.9
60.48763	1.1
65.03936	4.2
67.05509	91.0
68.05849	1.5
68.56105	1.3
69.03437	4.6
69.07071	22.7
69.66119	7.3
71.05006	6.2
71.08634	2.7
72.82007	1.3
79.05024	1.5
79.05494	42.5
81.03426	46.1
81.07063	86.0
82.07379	1.5
83.04990	9.3
83.08157	2.1
83.08627	26.4
85.02911	22.3
85.06564	4.8
91.05489	39.4
93.07048	32.0
95.04977	23.0
95.08614	55.9
97.02914	1.8
97.06549	6.4
97.10175	7.5
98.20834	2.0
99.08109	3.6
101.63129	1.2
105.07041	27.3
107.04997	4.2
107.08609	19.5
109.06548	4.4
109.10162	22.3
110.88174	1.4
111.04482	2.0
111.08110	9.5
113.06037	2.2
117.07035	3.8
119.08599	21.9
121.06498	2.7
121.10147	16.3
123.04464	1.6
123.08085	2.4
123.11737	9.2
125.09644	3.5
129.07036	8.6
131.08578	12.9
133.06494	2.6
133.10152	12.6
135.08084	1.6
135.11688	6.9
137.09682	2.8
137.13298	3.9
142.07837	2.1
143.08588	2.2
145.10133	6.5
147.08018	1.4
147.11723	12.8
149.09654	4.8
149.13274	4.4
151.14882	2.9
153.12709	1.4
157.10147	10.6
159.11752	2.2
161.13295	5.7
163.11118	1.5
163.14853	2.8
165.12779	3.6
169.10126	1.9
171.11710	2.3
175.11185	11.4
175.14877	1.6
185.13283	1.4
189.11293	1.2
189.16447	1.5
193.12265	44.7
211.13280	41.7
211.15283	1.6
227.12808	1.8
229.14255	1.5
235.13428	3.7
245.22780	2.7
263.23776	5.8
267.15967	8.4
285.16791	1.4
303.26816	2.8
337.27429	4.8
360.84714	1.4
437.34174	1.4
455.35349	4.0
473.36194	2.5
521.25360	1.4
529.38702	15.2
542.77911	1.4
547.39948	100.0
548.40320	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
53.03935	5.8
55.01877	8.8
55.05515	50.2
57.03444	11.6
57.07082	9.5
63.50154	1.2
65.03938	5.5
67.05510	93.4
68.05847	1.5
69.03428	4.0
69.07075	39.6
69.26079	9.7
69.26492	2.8
70.59211	1.4
71.04974	7.4
71.08620	4.2
72.04526	11.3
73.04846	1.8
73.06538	1.4
77.03918	1.4
79.05497	51.7
81.03426	51.5
81.07060	96.9
82.07411	2.1
83.04985	10.5
83.08622	36.9
85.02905	6.1
85.06539	3.9
85.10197	2.1
91.04911	1.9
91.05485	41.2
93.07051	52.5
93.07645	2.7
94.07355	1.9
95.04969	40.7
95.08615	65.2
96.08939	1.8
97.02901	1.4
97.06522	10.3
97.10172	29.4
98.21581	3.2
99.08104	2.9
105.04568	1.6
105.07042	36.0
107.04960	13.0
107.08602	33.1
109.06527	7.3
109.10168	32.6
109.10922	1.5
111.04456	2.5
111.08107	7.2
111.11716	2.6
113.06017	1.7
115.05421	2.0
117.07012	13.6
119.04970	2.3
119.08596	28.9
121.06533	9.6
121.10160	24.2
123.08076	5.8
123.11713	9.7
125.09645	15.4
127.11233	1.4
128.06201	1.6
129.06999	9.7
131.08583	20.7
133.06516	3.9
133.10139	19.7
135.08060	5.4
135.11705	16.0
137.09654	3.9
137.13248	3.1
139.11192	1.5
141.07047	1.6
142.07741	1.9
143.08575	6.2
145.06599	1.7
145.10092	11.6
147.08047	2.8
147.11676	13.8
149.09621	5.2
149.13271	6.8
151.14816	1.6
155.08575	3.1
157.10138	13.1
159.08124	1.5
159.11665	6.4
161.09610	2.0
161.13268	7.4
163.11182	9.5
163.14833	5.6
164.11496	2.8
165.12755	4.5
165.16432	1.5
169.10115	2.9
171.11772	2.9
173.13332	3.3
175.11227	8.1
175.14845	5.1
177.12770	4.3
177.16360	2.3
181.12230	1.8
183.11723	2.0
185.13304	4.2
187.11163	2.0
187.14835	3.8
189.11263	8.8
189.16409	4.3
193.12247	30.1
197.13283	1.9
199.14861	1.9
201.16356	3.2
205.12256	3.5
209.11662	2.1
211.13316	11.2
220.13370	1.7
227.12781	16.4
228.13190	3.1
241.17961	2.9
245.22684	5.2
249.14957	3.3
263.23730	9.7
264.20642	1.7
267.15948	42.2
275.20203	3.1
287.23688	2.9
289.21619	1.7
301.25299	2.8
303.23535	3.1
303.26767	13.3
305.24704	3.0
305.93732	1.4
312.76407	1.8
335.25766	1.9
337.27396	32.7
337.31256	2.7
349.23932	1.8
357.28159	1.7
361.27414	2.6
363.25531	2.2
385.26147	1.7
397.25232	1.6
417.26300	2.0
419.33322	2.2
421.26099	2.5
427.35770	2.5
435.27365	3.5
437.34152	9.2
455.35214	19.9
473.36240	14.7
511.37396	2.3
529.38916	69.5
530.39893	1.5
540.07684	1.5
547.39923	100.0
548.40417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30534	1.2
51.73701	1.1
53.03938	5.8
55.01875	4.5
55.05517	31.7
57.03439	7.1
57.07067	4.7
65.03939	4.7
67.05510	78.3
68.81253	1.2
69.03423	3.4
69.07075	19.4
69.42543	9.7
71.04973	6.5
79.05498	37.7
81.03423	44.1
81.07060	76.3
82.07360	1.5
83.04974	9.9
83.08625	22.8
85.02908	18.8
85.06543	3.6
91.05485	37.3
92.05858	1.7
93.06492	2.6
93.07051	35.3
95.04976	24.5
95.08613	51.0
97.02917	1.7
97.06528	5.8
97.10183	7.9
98.20845	2.7
99.08072	2.4
105.04551	1.2
105.07041	28.4
105.07701	1.9
107.04967	3.5
107.08605	19.3
109.06529	3.7
109.09476	2.2
109.10168	18.9
111.04470	2.3
111.08074	8.7
113.09653	1.4
117.07023	3.0
119.08588	20.9
121.06520	3.7
121.10158	17.6
123.04475	2.1
123.08057	3.1
123.11722	9.2
125.09621	3.7
127.11141	1.4
129.07028	5.3
131.08589	13.0
133.06509	2.5
133.10129	12.2
135.11713	4.9
137.13293	3.3
143.08661	2.0
145.10144	6.0
147.08060	2.9
147.11707	14.0
149.09634	4.2
149.13272	3.7
154.90355	1.2
155.08467	1.2
157.10144	9.2
159.11717	3.0
161.13315	5.5
163.14760	2.7
165.12769	2.3
171.11745	1.4
172.50305	1.3
175.11195	8.2
175.14799	4.8
180.00600	1.3
189.11331	1.9
193.12257	41.0
211.13300	42.3
227.12740	1.5
245.22768	2.2
262.10919	1.3
263.23740	6.4
267.15939	8.7
285.17282	1.5
303.26846	2.6
337.27478	7.8
437.33859	2.9
455.35184	4.6
473.36130	3.0
529.38947	22.8
547.39966	100.0
548.40143	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03947	5.0
55.01869	4.6
55.05515	26.4
56.84894	1.0
57.03435	9.5
57.07077	9.0
59.05016	1.1
64.81099	1.2
65.03943	3.2
67.05510	83.7
68.05833	2.2
69.03426	3.4
69.07074	23.8
69.28374	1.0
70.65005	0.9
71.04988	6.4
71.08633	4.5
77.03890	1.1
79.05499	40.5
81.03423	39.9
81.07062	82.4
82.07397	1.3
83.04993	9.4
83.08624	26.5
85.02914	18.1
85.06534	2.2
85.10178	3.0
87.67414	0.9
89.04398	1.3
90.55074	0.9
91.05486	36.7
91.70573	0.9
93.07051	33.8
93.07643	1.9
95.04979	24.3
95.08614	58.7
97.02911	2.1
97.06538	5.4
97.10183	9.9
99.08104	2.6
105.04528	1.1
105.07040	30.5
107.04938	6.0
107.08605	17.7
109.02892	1.6
109.06525	4.4
109.10157	19.6
111.04462	2.4
111.08089	7.5
111.11729	1.9
113.09599	1.7
115.05511	1.1
117.07050	4.3
119.07715	1.8
119.08585	25.9
120.08929	1.4
121.06509	3.1
121.10149	15.8
123.04442	6.6
123.08090	2.7
123.11716	10.3
125.08758	1.1
125.09644	3.8
129.07027	7.5
131.08589	11.0
133.06502	1.7
133.10129	14.3
135.11690	8.2
137.09607	1.1
137.13255	3.5
142.07808	2.9
143.08601	1.7
145.10149	4.8
147.08057	1.5
147.11700	15.6
149.09628	3.6
149.13274	3.8
151.11128	1.2
151.14891	2.0
155.08589	1.6
157.10152	11.0
159.11694	1.3
161.13284	4.6
163.11223	3.4
163.14850	1.8
165.12712	1.4
169.10162	1.4
171.11719	2.4
173.09590	1.3
175.11185	11.3
175.14848	3.4
193.10471	1.9
193.12251	39.2
211.13301	40.7
217.12175	1.3
235.13240	7.0
239.23842	1.2
245.22693	2.8
249.14973	1.1
263.23712	6.2
267.15982	7.1
285.17145	1.2
303.26895	2.2
319.32074	1.1
337.27402	7.2
437.34473	1.4
455.35187	3.6
473.36182	2.4
529.38892	10.7
547.39990	100.0
548.40247	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2154
Annotation	Bistratamide E
Peak:m/z	Relative Intensity
51.98450	0.5
71.23267	1.0
74.19987	0.5
105.77493	0.6
131.56589	0.6
133.43919	0.5
137.02380	0.6
138.20903	0.5
159.04211	3.1
245.35683	0.5
287.05469	5.1
311.05502	6.6
335.11121	1.4
339.08572	1.3
350.13278	4.3
385.12842	24.5
514.70264	0.5
547.21545	100.0
548.21973	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
52.89491	0.9
53.03949	6.8
53.65136	1.1
55.01868	4.2
55.05514	31.8
56.93899	1.0
57.03440	10.4
57.07090	6.8
59.04994	1.7
63.18175	1.0
65.03943	4.0
66.57423	1.0
67.05510	97.6
69.03420	3.2
69.07070	24.6
71.04988	6.8
71.08641	2.2
75.10627	1.3
79.05499	45.4
81.02931	2.4
81.03423	51.5
81.07060	100.0
83.04985	10.2
83.08623	28.0
85.02911	23.3
85.06552	3.2
85.10190	2.0
87.04469	1.2
91.05486	40.6
93.07045	37.1
95.04978	23.2
95.08614	56.8
97.02927	1.1
97.06542	7.2
97.10168	9.8
99.08107	1.8
100.29227	1.1
103.05491	1.2
105.04530	1.9
105.07039	30.0
107.04960	5.1
107.08609	22.0
109.06512	3.5
109.10151	21.1
111.04470	2.2
111.08093	11.7
112.93493	1.0
113.06003	1.7
115.05457	1.4
117.06980	5.1
119.08589	23.7
119.09383	1.8
121.06529	1.5
121.10148	18.5
122.81070	1.0
123.04434	1.8
123.08103	2.2
123.11707	9.7
125.09659	3.5
128.06259	1.2
129.07007	9.7
131.08583	12.7
133.06433	1.8
133.10141	14.0
133.56554	0.9
135.11722	6.4
137.09625	2.4
137.13289	2.7
142.07770	2.3
143.08548	1.8
145.10139	5.4
147.08110	2.4
147.11690	15.6
149.09636	4.7
149.13300	3.2
151.14850	1.4
153.12715	1.4
157.10138	12.0
159.11728	1.4
161.13278	4.9
163.11180	2.3
163.14835	1.3
165.12779	1.3
171.11751	1.8
173.13248	2.1
175.11189	14.5
175.14861	4.7
189.11244	1.4
189.16342	1.4
193.12257	46.5
199.14743	1.7
203.17972	1.2
209.13483	1.1
211.13295	49.8
235.13383	1.8
245.22740	2.9
263.23758	6.5
267.16037	7.5
287.23706	1.2
319.26358	1.5
337.27335	6.4
437.34146	2.5
439.83795	1.3
455.35178	3.9
473.36441	3.5
498.99036	1.4
529.38867	17.8
547.39966	98.3
548.39667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10745	2.0
52.27899	1.8
52.94550	2.0
53.03947	8.8
55.01867	3.1
55.05513	47.3
55.08444	1.7
57.03439	9.3
57.07081	4.4
62.53159	1.8
65.03938	2.2
67.05139	3.5
67.05507	69.8
69.03419	5.7
69.07069	23.9
69.46861	5.4
69.47275	10.3
70.44194	2.3
70.67937	1.7
71.04993	3.8
79.05498	46.8
81.03411	24.4
81.07059	68.8
83.04993	6.4
83.08620	21.7
85.06554	3.4
91.05486	42.4
91.06025	3.3
93.07050	50.8
93.07644	2.5
94.01084	1.9
95.04965	21.4
95.08614	39.3
95.09189	3.3
97.06559	6.7
97.10173	23.6
99.08146	2.5
105.07038	40.8
105.07701	4.0
107.04960	6.4
107.08604	27.4
109.06522	5.2
109.10167	29.1
111.08067	3.7
112.08091	2.0
114.85513	2.2
117.07025	15.7
119.08598	28.3
119.09386	3.0
121.06548	6.0
121.10136	22.3
123.08109	2.7
123.11736	8.6
125.09644	17.4
128.06253	2.6
129.07033	7.5
131.08554	27.7
133.06520	3.2
133.10144	20.3
135.08067	5.8
135.11748	8.8
137.09637	2.8
137.13303	4.1
141.07043	3.3
143.08589	10.3
145.10136	20.9
146.43362	1.9
147.08110	4.5
147.11703	12.1
149.09650	6.4
149.13231	5.1
151.11241	2.5
155.08592	3.2
157.10123	11.7
159.08124	2.9
159.11694	14.7
161.09691	3.2
161.13309	7.5
163.11130	2.9
169.10211	5.0
171.10303	3.8
171.11742	8.6
173.13231	11.1
175.11246	3.4
175.14839	5.2
183.11665	4.7
185.13272	4.8
187.11211	2.1
187.14850	7.3
189.11244	8.2
189.12822	2.6
193.12248	11.0
197.13341	3.4
199.14841	4.2
201.12933	1.8
201.16498	2.7
213.16354	2.2
227.12756	17.2
227.17860	2.2
233.15387	2.5
243.15858	2.6
243.21225	3.8
253.46826	2.0
261.18762	2.3
261.22113	11.0
267.15976	22.1
283.24313	2.7
285.22235	6.0
299.23764	2.5
301.25299	19.3
303.23209	3.0
317.24805	3.0
335.25803	15.3
359.25912	2.9
417.31491	3.7
421.26007	3.5
435.27377	3.8
435.32745	8.3
453.33655	16.6
471.34726	12.6
509.36017	3.2
527.37323	55.0
545.38416	100.0
546.38080	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81681	0.9
53.03949	6.0
55.01884	6.4
55.05513	34.9
57.03444	9.7
57.07072	5.1
65.03944	3.3
67.05509	75.6
69.03435	3.5
69.07073	19.6
69.17844	10.9
71.05014	6.1
71.08611	2.9
77.03934	1.5
79.05499	53.8
81.03423	29.3
81.05313	1.1
81.07059	66.8
83.04987	6.8
83.08622	20.3
85.02906	5.9
85.06544	3.7
91.05489	41.5
91.05929	0.6
93.07050	53.9
95.04975	25.9
95.08612	47.1
97.02926	1.2
97.06537	5.6
97.10168	18.3
99.08079	3.1
103.05502	1.6
105.07036	34.7
105.07653	1.2
107.04973	8.1
107.08594	34.5
109.06530	5.8
109.10159	27.8
111.04425	2.0
111.08081	6.5
115.05486	2.7
117.07021	16.2
119.04923	1.4
119.06172	1.2
119.08588	29.8
121.06504	7.8
121.10151	23.6
123.04543	1.4
123.08088	5.7
123.11691	8.3
125.09636	11.0
128.06233	1.6
129.06995	10.1
130.07727	1.4
131.08568	22.9
133.06529	2.1
133.10139	23.1
135.08058	6.7
135.11681	15.9
137.09633	4.0
137.13232	2.4
142.07791	2.0
143.08592	7.4
145.10118	19.3
147.08086	3.7
147.11694	13.4
149.09613	5.1
149.13269	6.3
151.11208	2.7
153.09119	1.3
155.08560	3.4
157.10124	10.3
159.08090	1.7
159.11716	12.3
161.09590	2.8
161.13283	7.1
163.11171	8.0
163.14847	3.5
165.12862	1.7
169.10114	1.5
170.73224	1.2
171.11653	5.9
173.09534	1.5
173.13220	8.4
175.11185	5.4
175.14816	5.2
177.12761	2.8
179.14311	4.7
181.12268	1.6
183.11739	3.3
185.13235	4.4
187.11214	1.2
187.13399	1.7
187.14830	6.3
189.11221	10.0
189.16365	2.0
191.14319	2.0
193.12254	17.5
197.13255	3.1
199.14864	2.8
201.12863	1.2
201.16396	2.9
209.13297	1.8
211.13245	11.6
211.14742	1.2
213.16440	2.3
225.16330	1.9
227.12766	18.6
233.15512	1.5
235.16931	1.4
243.21074	3.1
247.16975	1.6
249.14893	1.1
259.20599	1.7
261.18533	1.6
261.22183	13.9
267.15936	20.0
277.21710	3.2
279.23398	2.6
283.20410	1.2
283.24255	1.3
285.22180	3.5
295.22629	1.2
299.23792	3.1
301.25262	17.7
314.15610	1.2
317.24774	2.9
329.21085	1.5
335.25845	13.7
341.24878	1.6
357.28088	2.0
359.25888	2.9
403.24719	2.0
421.25766	2.5
425.34760	1.2
435.27283	1.9
435.32468	8.1
453.33655	12.6
471.34738	10.2
475.30469	2.0
509.36060	4.0
527.37341	44.0
528.37408	2.3
545.25140	4.4
545.38379	100.0
546.38745	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01881	2.4
55.05275	1.8
55.05516	25.0
57.03444	9.9
57.07071	2.7
64.58179	1.6
65.03952	3.6
67.05510	48.9
69.03425	3.4
69.07070	12.6
69.55254	7.3
71.04987	6.2
79.05499	50.9
81.02948	1.5
81.03423	32.7
81.07063	54.6
82.56104	1.5
83.04980	5.9
83.08624	18.4
85.02907	15.5
85.06545	2.2
91.05483	35.8
93.07049	47.3
95.04973	20.7
95.08611	35.4
97.06532	5.6
97.10214	7.5
97.10715	1.4
105.04518	2.5
105.07043	29.7
107.04945	4.4
107.08593	19.7
109.06522	4.1
109.10178	14.0
111.04446	2.2
111.08079	7.8
115.05473	1.7
117.07040	11.1
119.08581	23.7
121.06565	2.9
121.10157	22.9
123.08082	2.6
123.11716	5.4
125.09621	5.9
128.06250	1.8
129.07030	8.0
131.08578	16.7
133.06572	2.1
133.10133	15.6
135.08096	1.9
135.11703	11.7
137.09634	2.8
142.07797	2.5
143.08598	4.8
145.10121	11.3
147.08134	2.0
147.11679	13.8
149.09685	3.3
149.13266	3.9
155.08577	2.0
157.10138	12.3
159.11703	5.6
161.09612	1.5
161.13275	5.3
163.14854	1.9
165.12741	2.9
171.10226	1.7
171.11748	3.4
173.09595	1.7
173.13272	5.9
175.11171	8.5
175.14786	2.9
183.11629	2.6
185.13335	2.6
187.14796	3.1
189.11247	2.1
189.16425	1.5
193.12253	36.5
197.46109	1.6
201.16443	1.4
206.57686	1.5
211.13304	39.1
227.12784	4.2
237.73346	1.5
243.20934	1.5
261.22076	8.1
267.15964	6.0
285.22003	1.9
295.25287	1.5
301.25308	7.7
303.23203	1.8
317.24911	2.0
335.25854	6.2
359.26205	1.7
417.31497	2.1
425.34433	1.7
435.27551	1.9
435.32919	6.1
447.33923	1.5
453.33920	7.2
471.34824	4.1
527.37305	27.9
545.38403	100.0
546.38660	3.8
546.53754	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.0
53.03941	6.3
55.01860	3.3
55.05513	29.0
57.03439	11.2
57.07062	2.1
65.03927	2.8
67.05511	59.3
69.03418	4.9
69.07068	16.0
69.47206	12.3
71.04990	8.2
79.05498	61.8
81.03430	39.0
81.07064	62.5
83.04987	9.1
83.08627	19.9
85.02904	20.4
85.06548	2.4
91.05487	49.6
93.07051	57.8
93.07648	3.0
95.04979	20.9
95.08611	36.8
97.02883	3.5
97.06551	4.1
97.10186	8.7
105.04494	2.0
105.07039	37.6
107.04967	6.8
107.08600	23.4
109.06519	3.9
109.10186	13.2
111.08085	10.5
111.93348	1.6
113.06006	1.8
115.13099	1.6
117.07034	11.6
119.08591	28.0
121.06486	2.9
121.10145	20.9
123.08093	1.6
123.11732	4.6
125.09631	4.7
129.07040	10.7
131.08575	16.4
133.06462	3.2
133.10129	16.2
135.08055	2.2
135.11708	12.9
137.09642	2.4
143.08566	3.9
145.10149	11.6
147.08037	2.9
147.11732	15.6
149.09636	3.2
149.13264	6.0
157.10159	12.5
159.11777	8.4
161.13249	3.2
163.14859	2.0
171.11652	3.8
173.11963	1.6
173.13298	6.7
175.11226	10.6
175.14803	2.3
175.73203	1.4
185.13225	2.4
187.14841	3.2
189.11217	2.6
193.12247	45.0
197.13251	2.3
211.13277	42.1
227.12761	2.5
235.00075	1.6
261.22189	5.9
267.15955	6.9
285.16913	2.0
285.22021	2.6
287.52921	1.7
295.19983	2.0
301.25217	5.7
317.24826	2.4
335.25818	5.1
416.04993	1.9
435.32712	4.3
453.33493	5.7
455.22391	1.8
471.34583	2.6
487.69873	2.0
527.37292	17.2
545.38391	100.0
546.38629	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01867	4.4
55.05275	3.0
55.05519	35.1
57.03451	10.1
57.07076	2.8
59.05000	1.8
67.05508	65.4
69.03442	4.4
69.07069	16.8
71.04997	4.3
79.05496	39.9
81.03423	23.3
81.06326	2.2
81.07064	50.0
83.04983	4.8
83.08621	22.5
85.06548	4.4
86.73102	1.9
89.47543	1.7
91.05488	34.1
92.06428	2.0
92.73896	2.0
93.07054	40.9
95.04971	22.0
95.08611	41.1
97.06560	5.0
97.10171	22.9
98.20786	3.7
99.08076	1.9
103.05472	2.1
105.07033	32.5
107.04982	7.8
107.08598	26.6
109.06552	5.6
109.09435	1.9
109.10151	25.1
111.08076	4.6
111.91089	1.8
117.07031	14.3
119.08585	28.1
121.06516	6.7
121.10148	19.3
122.86275	1.7
123.08073	5.1
123.11723	7.8
125.09636	14.4
128.06279	2.3
129.07007	9.0
131.08580	21.4
133.06485	2.8
133.10124	18.7
135.08092	7.3
135.11684	12.4
137.09682	3.3
137.59796	1.6
143.08585	5.1
145.10138	17.9
147.08044	6.6
147.11674	13.5
149.09610	1.8
149.13316	5.3
151.11237	2.4
155.08505	4.2
157.10173	7.7
159.11745	12.2
161.09685	3.1
161.13301	6.1
163.11169	2.4
163.14879	2.4
169.10178	4.9
171.10300	3.9
171.11740	7.1
173.13260	14.8
175.11217	4.2
175.14896	5.2
177.12778	2.1
183.11737	4.1
185.13319	6.4
187.14871	4.9
189.11256	7.6
189.12770	2.0
193.12239	10.8
197.13313	4.4
199.14859	4.3
201.12944	1.8
209.13268	3.1
209.78639	1.8
212.87544	2.1
213.16505	2.3
227.12781	11.6
233.15475	2.4
243.15804	2.0
243.21194	3.4
247.16983	3.0
249.14903	3.0
261.22150	12.0
267.15924	21.1
273.18781	2.0
279.23248	2.9
285.22110	2.3
287.20178	3.8
299.23669	4.2
301.22055	1.9
301.25238	21.6
317.24936	4.4
329.21405	2.4
335.25879	16.3
336.55103	1.9
343.26468	1.9
359.25861	3.4
421.25833	4.3
435.27255	3.2
435.32697	7.9
440.09225	1.8
440.30487	2.2
453.33609	17.5
471.34729	13.0
527.37347	58.0
535.20734	2.0
545.38452	100.0
546.39050	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.6
53.03942	9.2
55.01860	3.9
55.05271	2.5
55.05518	29.9
57.03439	9.2
57.07082	3.0
65.03942	2.4
67.05514	63.2
69.03428	4.3
69.07074	16.9
71.04995	8.1
73.73642	1.9
79.05505	61.7
79.05968	3.3
81.03427	51.0
81.06597	3.4
81.07065	62.9
83.04996	10.4
83.08626	23.2
85.02920	27.3
85.06561	4.5
91.05488	50.5
92.86332	1.5
93.06494	3.6
93.07055	55.5
95.04974	21.5
95.08612	34.6
97.02914	1.8
97.06535	5.4
97.10181	9.9
105.07047	32.5
107.04976	6.2
107.08607	29.1
109.06557	4.4
109.10169	13.9
111.08085	7.1
113.06021	2.7
117.07027	11.7
119.07738	1.7
119.08590	34.3
121.06547	1.9
121.10165	27.8
123.08117	2.8
123.11726	4.6
124.95125	1.6
125.09650	6.1
129.07039	8.4
131.08575	23.8
133.10126	18.4
135.11687	15.8
143.08566	2.4
145.10149	10.4
146.90721	1.6
147.11711	16.9
149.09660	5.6
149.13266	5.2
155.08536	2.0
157.10153	12.6
159.11740	8.0
161.13303	4.8
165.12830	2.6
171.11714	2.7
173.13286	5.1
175.11241	11.8
187.14781	3.4
189.11258	3.2
193.12260	43.9
193.13898	3.5
197.13272	2.3
211.13310	45.6
223.14941	1.7
224.57907	2.1
227.12836	3.3
227.59058	1.8
243.21086	2.4
253.71294	1.8
261.22137	9.1
267.16003	5.1
301.22116	2.2
301.25406	5.1
303.23294	2.3
335.25906	5.3
435.32565	5.9
453.33530	5.4
471.35028	4.6
527.37384	19.9
545.38416	100.0
546.39087	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1998
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
70.95328	1.0
80.80629	0.6
99.65623	0.5
103.52811	0.6
137.02287	0.8
137.05962	0.8
173.67772	0.6
229.51666	0.6
283.09592	1.0
287.05429	2.9
311.05524	29.6
312.05991	1.1
323.05493	1.2
325.07025	0.9
339.08664	29.0
340.09134	1.2
341.10287	3.3
365.13806	0.9
383.11261	99.8
384.11612	2.4
533.93640	0.7
545.19989	100.0
546.20380	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.4
53.03945	7.2
55.01863	4.4
55.05516	28.1
57.03439	9.8
57.07064	2.0
65.03936	3.7
67.05509	63.7
67.33024	1.0
69.03416	4.3
69.07073	16.7
69.81320	4.2
69.81731	2.2
71.04993	5.4
77.03898	1.3
77.22653	1.1
79.05499	64.0
81.03425	46.5
81.07062	63.0
81.07475	0.8
83.04988	11.2
83.08158	1.8
83.08624	24.7
85.02911	25.3
85.06544	3.4
89.32156	1.0
91.05490	51.3
93.07050	61.4
95.04981	26.2
95.08615	39.0
97.02863	2.1
97.06524	5.8
97.10172	10.1
99.08087	1.7
103.05490	1.7
105.04511	2.5
105.07036	41.0
107.04983	5.0
107.08602	30.2
109.06552	5.2
109.10169	15.3
111.04450	1.1
111.08095	9.2
113.06020	2.4
115.05453	1.9
117.07021	9.0
119.08598	29.4
121.06519	2.5
121.10155	24.9
121.10870	0.7
123.08067	3.9
123.11709	5.2
125.06011	1.7
125.09645	5.0
128.06227	1.2
129.07005	10.1
131.08580	23.2
131.10147	1.0
133.06534	1.7
133.10135	16.7
135.08049	1.9
135.11734	13.0
137.09647	2.7
137.13255	1.3
142.07782	2.3
143.08575	5.0
145.10132	12.8
147.08057	3.6
147.11678	16.3
149.09653	6.0
149.13280	5.5
149.28966	1.1
149.45183	1.2
151.78777	1.2
155.08539	1.3
157.10127	13.5
159.11705	9.7
161.13260	4.9
163.14867	1.5
165.12773	3.2
169.10121	2.1
171.10341	1.6
171.11716	4.3
172.65144	1.1
173.13248	6.0
175.11186	11.7
175.14868	1.9
183.11745	1.8
185.13235	1.8
187.14781	2.7
189.11238	1.8
193.12259	45.2
199.15027	1.5
201.16443	1.9
211.13309	48.3
227.12903	2.8
233.41238	1.1
243.21172	1.9
261.22141	7.6
267.15762	5.6
273.21909	1.3
285.22351	1.4
298.97861	1.2
301.25229	4.4
303.23355	1.7
317.24747	2.5
327.23505	1.1
335.25888	4.9
435.32602	3.3
453.33606	4.4
471.34860	2.7
491.43149	1.4
509.36502	1.9
527.37329	19.0
545.38422	100.0
546.38782	3.4
570.15082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06133	0.2
53.92863	0.2
57.38153	0.2
69.15543	2.0
69.15969	0.7
70.78142	0.2
76.86040	0.2
98.20730	0.6
137.02339	0.8
215.03522	0.2
218.11803	0.2
257.03720	0.2
283.09909	0.3
287.05502	3.2
311.05499	28.7
312.06049	0.4
323.05423	0.4
324.06403	0.3
325.07068	0.8
326.07529	0.4
339.08633	15.5
340.09030	0.3
341.10272	3.1
355.11673	0.3
383.11261	100.0
384.11566	1.3
545.16107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19945	0.5
69.03435	0.9
70.06600	0.7
71.04998	0.7
71.49247	0.8
81.03433	3.4
81.07072	0.5
85.02905	1.5
89.03922	5.9
91.05489	0.8
95.55172	0.5
97.02874	0.8
107.08574	0.6
107.09238	0.5
109.02892	2.1
117.03384	18.9
127.03949	0.6
132.04460	10.4
134.03651	1.5
135.04457	1.2
145.02858	47.0
149.05998	6.5
155.66685	0.5
160.03979	0.8
163.03909	1.0
177.05481	100.0
178.04994	66.8
179.05325	0.7
193.22824	0.5
195.06621	1.1
206.04497	85.6
207.04779	1.1
238.41423	0.6
283.73972	0.5
311.05524	2.9
314.49350	0.5
321.09692	6.0
339.08383	0.7
339.10776	1.9
368.09702	1.0
383.06705	0.7
383.11264	8.6
544.14240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07910	1.2
69.36072	2.9
69.36494	7.1
77.16886	1.3
81.93736	1.2
85.02897	3.9
86.37173	1.3
91.05484	4.7
97.02888	2.2
103.05466	25.0
105.07024	1.8
106.94957	1.2
119.04949	3.4
121.06498	2.4
129.06969	2.2
130.04221	1.4
131.04935	100.0
137.05974	26.2
147.04420	28.7
147.08084	5.4
149.05998	4.4
150.89995	1.3
151.07550	4.7
161.05914	2.2
162.06746	4.4
163.07550	71.6
167.07016	1.8
175.07555	16.4
177.05457	1.8
179.07063	1.8
193.08604	21.5
271.09717	3.0
273.11002	1.4
299.12854	3.6
317.13864	13.6
344.22119	1.3
387.87973	1.4
483.24689	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	14.4
71.49142	15.4
91.05450	12.8
97.02882	12.3
103.05475	38.0
106.28167	12.1
123.94400	10.5
131.04922	100.0
137.05994	50.7
147.04414	46.8
149.06053	21.8
151.07567	14.6
153.01747	18.6
161.05989	14.4
162.06691	12.9
163.07549	74.4
164.16238	11.1
167.06908	12.4
175.07533	33.6
193.08615	33.2
317.13840	25.0
472.33261	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	544.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48943	3.6
58.52906	3.6
64.51714	4.1
68.14867	3.8
69.03423	5.1
70.06595	4.2
71.48811	3.4
80.80272	3.7
81.03405	10.3
85.02889	14.7
89.65216	3.7
91.05475	9.5
95.04961	6.3
95.24519	3.7
97.02865	6.8
103.05481	24.5
107.04936	5.8
109.02866	5.8
121.06425	4.7
123.04450	9.0
125.02352	5.0
127.03901	7.7
129.07036	6.1
131.04947	70.8
133.02834	4.5
137.05991	44.7
147.04407	39.9
147.08017	4.6
149.05995	12.8
151.07529	15.9
153.01852	100.0
153.02991	5.5
161.05977	4.8
162.06744	11.0
163.07559	65.8
167.07079	7.6
171.02881	9.5
175.07582	23.7
177.05392	7.5
193.08611	29.5
205.08647	6.0
213.11206	5.3
297.06067	6.9
299.12827	10.8
315.07117	8.5
317.13809	18.0
416.28555	4.1
457.00787	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	543.3684
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03946	2.8
54.41064	1.0
55.01862	3.7
55.05518	16.0
57.03442	2.9
65.03943	1.2
67.05512	25.1
69.07069	9.6
69.81036	6.1
71.04964	1.2
79.05499	17.6
81.03425	5.8
81.07063	21.0
83.04989	2.4
83.08631	9.2
85.06545	2.7
91.05492	19.8
93.07059	15.7
95.04987	5.7
95.08607	13.0
97.06506	1.7
97.10173	7.0
105.07040	15.5
107.04974	3.2
107.08619	10.9
109.06506	2.2
109.10171	8.0
111.08041	1.3
115.05477	2.0
116.98660	1.1
117.07023	9.0
119.08588	14.1
120.93568	1.1
121.06467	1.9
121.10152	5.1
123.08049	1.7
123.11742	1.9
125.09623	6.0
128.06250	3.1
129.07024	9.2
131.04898	1.2
131.08574	15.3
133.06450	2.3
133.10172	10.1
135.08061	3.3
135.11696	3.3
136.85918	1.6
141.07034	4.0
142.07831	2.3
143.08583	9.4
144.09337	1.3
145.06490	3.5
145.10133	13.2
147.08090	2.3
147.11708	6.2
149.09616	3.3
149.13251	1.1
155.08589	4.8
157.10141	10.6
159.08070	2.9
159.11725	8.6
161.13303	3.0
167.08563	2.5
169.10178	6.6
171.08040	2.1
171.11705	7.1
173.09691	2.0
173.13280	6.9
175.11191	2.0
175.14778	1.1
181.10161	3.1
183.11732	5.9
185.09665	1.9
185.13298	7.1
187.11215	2.7
187.14830	2.4
189.11253	1.6
189.12781	1.1
191.10593	1.2
193.12209	2.0
195.11697	3.2
195.13458	1.0
197.13231	4.9
199.11337	1.3
199.14839	3.6
209.13310	1.6
223.14915	2.3
241.15807	1.4
241.19633	1.3
257.19150	1.6
259.20529	3.7
265.19360	1.2
267.15948	1.9
275.20068	1.5
283.20532	2.4
297.18622	1.3
297.22217	3.0
299.20398	1.2
299.23721	5.0
311.20135	1.4
333.24222	1.4
379.80835	1.2
415.29895	1.5
423.32574	2.3
433.30887	6.2
451.32138	10.9
469.33249	5.5
481.16830	1.1
481.32980	5.6
507.34546	3.1
515.37469	2.0
525.28479	1.8
525.35938	18.8
543.37354	100.0
544.36908	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60563	0.7
53.03948	4.7
55.01843	2.6
55.05514	16.6
57.03414	2.5
57.07047	2.1
65.03913	2.7
67.05510	37.3
69.03403	0.8
69.07072	10.1
71.04968	3.0
72.30730	0.7
73.02880	0.8
76.67559	0.7
77.03903	1.2
79.05499	45.0
81.03396	2.1
81.07060	35.3
83.05003	3.9
83.08629	10.4
85.06541	1.5
87.43652	0.7
91.05489	22.2
93.07047	56.9
95.04971	6.2
95.08611	44.3
97.02872	2.9
97.06507	3.4
97.10146	2.6
98.20708	1.8
99.04453	4.0
99.89313	0.9
103.05439	1.2
105.04511	1.9
105.06413	1.1
105.07038	14.0
107.04972	8.0
107.08599	36.4
109.06515	1.5
109.10158	5.7
111.04407	1.5
111.08058	1.6
115.05417	1.1
117.07023	12.2
119.08596	14.6
121.06512	5.4
121.09354	1.2
121.10154	20.1
123.11693	1.5
125.05974	2.6
129.06941	1.1
130.07748	1.8
131.08565	7.0
133.10147	6.0
135.08032	1.2
135.11697	47.4
139.07535	1.7
143.08607	1.7
145.10135	25.7
147.11664	3.0
149.13252	2.7
153.12756	1.5
159.11679	2.7
161.13245	2.3
163.11191	53.7
173.13309	1.6
181.12236	14.1
187.14850	1.2
201.16396	0.9
209.11745	2.6
227.12791	100.0
243.21274	1.8
261.22147	6.0
308.38251	0.8
317.24817	1.7
335.61508	0.8
458.82907	1.0
543.36871	56.4
544.37189	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.6
53.03944	4.3
55.01848	3.0
55.05513	15.7
57.03441	3.1
57.07063	1.5
57.31678	0.6
57.66113	0.6
65.03907	2.0
67.05508	31.7
69.03409	1.8
69.07074	10.4
69.46896	2.9
69.47305	1.5
71.04983	3.2
73.02909	1.0
77.03890	0.9
79.05496	41.9
81.03393	2.4
81.07059	34.0
81.07508	0.8
82.80838	0.6
83.04983	4.3
83.08614	7.9
85.06528	0.7
91.04911	0.9
91.05482	21.3
93.07048	56.4
95.04460	0.7
95.04975	7.2
95.08609	39.3
97.02863	2.9
97.06521	3.4
97.10146	1.9
99.04424	2.8
99.08095	1.1
103.05453	0.8
105.04462	0.9
105.07027	14.8
107.04960	6.3
107.08595	33.9
109.06505	1.6
109.10164	7.0
111.04443	1.1
111.08073	1.5
113.06005	0.7
115.05403	1.0
117.07018	11.9
119.08586	15.1
121.06508	5.4
121.10146	19.3
125.05988	3.2
125.09581	0.7
128.06242	0.8
129.06972	1.8
130.07762	1.9
131.08556	6.8
133.10136	6.6
135.08058	2.5
135.11699	43.3
139.07509	1.3
143.08551	2.1
145.10126	26.3
147.11639	2.6
149.13271	3.9
155.08594	0.9
158.81357	0.6
159.11688	3.3
161.13255	2.2
163.11185	52.8
163.14835	1.2
171.11617	0.9
173.13261	2.7
181.12251	12.6
187.14766	1.3
209.11707	2.0
227.12788	100.0
228.13135	0.9
243.21095	1.5
261.22186	7.4
283.15463	1.2
317.24759	3.0
416.65894	0.7
451.32236	0.9
465.00406	0.7
525.35760	1.0
543.36847	54.8
544.37177	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01878	6.0
55.05516	23.7
57.03436	5.2
57.07070	1.8
59.04999	1.1
65.03931	1.9
67.05511	38.8
69.03431	2.2
69.07067	10.2
69.41816	1.0
69.42152	8.1
71.04990	3.3
76.36827	0.9
79.05032	1.0
79.05498	31.6
81.03429	7.4
81.07060	35.1
83.01378	1.0
83.04987	7.0
83.08634	13.0
85.02912	2.0
85.06526	1.7
85.76579	1.0
91.05492	27.0
93.07052	33.6
95.04974	8.0
95.08621	21.1
97.02901	1.7
97.06544	3.8
97.10172	11.4
103.05473	1.0
105.07044	23.5
105.85490	0.9
107.04954	5.6
107.08606	18.7
109.06554	3.1
109.10159	10.8
111.08062	2.2
115.05486	1.8
117.07027	14.1
117.54778	0.9
119.08603	16.2
121.06510	3.2
121.10156	13.4
123.08060	2.5
123.11703	2.3
125.09637	10.9
128.06268	2.6
129.07027	8.3
130.07813	1.6
131.08577	17.5
133.06497	1.2
133.10129	12.0
135.08066	3.4
135.11699	13.2
137.09659	2.0
141.07022	3.0
142.07826	2.8
143.08568	8.3
145.06485	2.2
145.10124	20.5
147.07974	2.1
147.11707	7.4
149.09657	2.2
149.13319	3.4
153.09106	1.1
153.12752	2.1
155.08557	5.2
156.09337	1.0
157.10153	7.7
159.07977	2.3
159.11716	12.7
161.09612	2.3
161.13286	3.3
163.11185	11.5
167.08583	1.5
169.10156	5.4
171.08031	1.2
171.11710	7.3
173.09650	2.6
173.13242	6.1
181.10149	2.2
181.12277	3.6
183.11681	4.6
185.09631	1.0
185.13257	5.7
187.11206	1.8
187.14847	3.2
189.11195	5.5
193.09970	1.1
193.12215	2.2
195.11746	2.3
197.13312	4.2
199.11118	1.0
199.14850	3.3
201.12744	1.2
207.11844	1.5
209.11626	2.1
209.13443	2.2
211.13167	1.5
211.14941	1.7
213.16557	1.8
215.14320	1.6
227.12778	15.9
227.14597	1.3
237.16428	1.3
259.20667	4.1
261.22162	2.7
265.19650	1.2
267.15979	3.1
275.20129	2.2
277.21548	1.3
283.20596	2.1
297.22128	2.1
299.23657	9.6
301.21686	2.2
315.23074	1.2
317.24841	1.1
333.24414	2.3
339.23193	1.5
355.26614	1.1
357.24365	1.3
415.30325	1.7
423.32654	1.4
433.31064	4.7
451.32080	10.1
469.33264	7.4
471.67935	1.1
487.34256	3.8
507.34464	1.2
525.35785	17.3
543.36853	100.0
544.37183	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	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01890	2.2
55.05273	1.4
55.05517	18.2
57.03428	2.8
57.07066	1.9
59.04984	1.0
65.03948	1.4
65.56843	0.9
67.05505	25.1
69.03432	1.4
69.07072	9.3
69.55253	7.4
71.04993	2.0
72.21672	1.0
74.68302	0.9
79.05502	18.1
81.03413	5.2
81.07062	22.6
83.04986	1.9
83.08614	9.1
85.02880	1.2
85.06562	1.5
91.05488	19.6
93.07051	16.3
95.04948	5.8
95.08606	12.2
97.06540	2.4
97.10172	10.0
98.20763	1.6
105.07040	16.7
107.04984	2.6
107.08612	10.2
109.06525	2.7
109.10175	9.3
111.08099	1.6
115.05473	2.3
117.07025	11.9
119.08592	14.5
121.06498	1.6
121.10141	6.9
123.08102	1.6
123.11720	1.9
125.09647	4.8
128.06238	2.6
129.07016	9.3
130.07814	1.1
131.08578	17.2
133.06540	1.7
133.10130	11.1
135.08063	2.3
135.11710	3.3
137.09622	2.1
141.07016	3.0
142.07819	3.8
143.08578	10.2
145.06572	2.7
145.10133	12.6
147.08078	1.7
147.11691	4.4
149.09581	2.3
149.13242	1.1
153.09200	1.3
155.08572	7.1
157.10138	8.6
159.08107	2.6
159.11717	10.1
161.09650	1.1
161.13258	3.4
163.11186	1.3
167.08598	3.2
169.10158	7.0
171.08089	2.5
171.11678	7.5
173.09621	1.9
173.13257	5.8
175.11220	2.8
175.14799	1.5
179.08591	0.9
181.10170	3.1
183.11714	6.4
185.13284	7.3
187.11256	2.1
187.14812	2.6
189.11305	2.6
193.10223	1.9
193.12329	2.7
195.11708	2.8
197.13307	3.3
199.11299	1.4
199.14859	4.0
199.32402	1.0
201.12932	1.2
201.16350	1.2
209.13214	2.3
211.14865	2.2
213.16472	2.0
219.11833	1.2
223.14996	2.6
225.16165	1.5
227.12775	2.9
241.19467	1.4
255.21138	1.4
259.20663	3.9
267.15970	2.9
271.20825	1.0
277.21930	1.7
283.20670	2.6
297.22083	2.3
299.23730	5.7
301.21542	1.4
313.21786	1.2
315.23291	1.3
321.22238	1.0
325.21570	1.4
335.23672	1.1
339.23322	1.6
343.22504	1.2
357.24396	1.2
371.25949	1.5
415.29785	1.4
421.26016	1.3
423.32791	1.6
433.31079	5.5
451.32104	10.9
469.33221	4.7
507.34152	1.3
515.37537	2.5
525.35803	17.0
543.36902	100.0
544.37323	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	543.3683
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
50.81656	0.9
53.03941	1.9
53.34861	0.9
54.09193	0.9
55.01863	3.3
55.05515	15.2
57.03424	3.2
57.07063	0.9
58.41335	0.9
59.04980	1.2
65.03931	1.1
66.92493	0.8
67.05511	21.8
69.07076	6.9
71.04989	1.6
75.94862	1.0
79.05498	18.4
81.03423	6.0
81.07064	19.6
83.04968	2.5
83.08632	6.8
85.06514	1.6
86.09708	1.6
91.05482	15.2
93.07052	14.8
95.04961	4.6
95.08614	12.3
97.06544	2.2
97.10182	6.8
103.05466	1.4
105.07036	17.6
107.04983	2.7
107.08595	10.0
109.06530	1.5
109.10165	8.3
111.08082	2.1
115.05482	1.9
117.07018	9.1
117.92839	0.8
119.08578	11.2
121.06518	2.2
121.10139	6.0
123.08071	2.0
123.11723	1.9
125.09633	6.4
128.06230	2.5
129.06998	9.3
130.07780	1.2
131.08575	15.6
133.06497	1.3
133.10133	9.0
135.08025	2.5
135.11717	2.9
136.05313	0.9
141.06992	3.8
142.07758	2.6
143.08534	10.1
145.06505	2.4
145.10139	11.0
147.11696	5.2
149.09657	2.2
149.13281	1.7
155.08563	4.3
156.09343	1.6
157.10135	9.6
159.08076	2.7
159.11678	8.9
161.09636	1.3
161.13260	3.0
163.11198	1.9
167.08618	2.5
168.09311	0.9
169.10201	4.6
170.10959	1.1
171.08028	1.2
171.10381	1.5
171.11690	7.5
173.09674	2.4
173.11874	1.3
173.13213	5.6
175.11224	2.0
175.14867	2.9
179.08644	0.9
181.10170	4.0
183.11726	6.6
184.07329	3.4
185.09639	1.3
185.13188	5.8
187.11133	1.8
187.14874	1.9
189.11226	1.8
193.10245	1.2
193.12245	2.7
195.11711	3.6
197.09639	0.9
197.13234	3.6
199.11157	2.0
199.14876	3.4
199.63618	0.9
201.12856	1.1
203.14410	1.1
205.09831	0.9
207.11684	1.5
209.13350	3.0
211.13124	1.4
211.14857	2.5
211.82242	0.9
213.12756	1.4
213.16304	1.3
215.14357	1.3
221.13290	1.6
223.14894	1.9
227.12775	2.5
235.14699	1.4
237.16515	1.5
241.15869	0.9
241.19618	1.3
259.20602	4.3
267.15988	3.7
281.22647	1.3
283.20682	2.3
297.18915	0.9
297.22232	3.3
299.23602	5.0
301.21707	1.4
313.21362	1.2
315.23236	0.9
333.24292	2.0
339.23276	1.4
353.24741	1.1
423.32718	2.1
433.30981	6.0
440.87405	0.9
451.32083	9.1
469.33109	5.8
507.35367	1.2
515.37335	2.6
525.35822	18.2
543.36865	100.0
544.37238	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13417	3.9
54.94486	3.0
55.01891	3.9
55.05508	14.3
57.03429	5.2
61.51355	3.0
62.87314	3.8
66.77940	3.4
67.05511	25.5
67.06516	3.1
69.03435	4.8
69.07076	18.1
69.79658	7.4
69.80066	11.7
71.04932	2.9
79.05495	34.3
81.03414	12.2
81.07053	35.2
83.05001	4.1
83.08616	7.5
85.06538	4.6
91.05489	33.2
93.07042	36.9
94.42397	2.9
95.04965	9.5
95.08617	26.5
97.06525	10.5
97.10165	5.0
99.08088	26.4
105.07034	43.7
107.04960	5.1
107.08592	41.6
109.06538	4.3
109.10154	12.4
117.07008	12.0
119.08575	49.3
121.10156	23.9
123.08077	5.8
123.11693	4.0
125.09635	4.2
129.07010	13.1
131.08578	58.4
133.06464	3.4
133.10135	36.9
135.08104	4.5
135.11697	13.9
137.09613	6.7
143.08583	17.6
145.10114	26.4
147.08047	7.9
147.11713	18.1
149.09631	5.2
149.13234	6.8
154.92892	3.4
155.08617	8.6
157.10143	19.8
159.08064	4.8
159.11707	22.1
161.09616	4.0
161.13260	15.7
163.11238	3.8
165.09119	4.1
167.08614	4.3
168.09351	3.6
169.10117	11.5
170.10910	5.4
171.08116	3.3
171.11710	27.4
172.12384	4.3
173.09650	11.6
173.13258	51.5
175.11249	5.3
175.14861	14.6
179.14290	6.4
181.10146	8.3
182.10873	5.5
183.11694	23.2
185.09619	5.9
185.13275	21.1
187.14877	15.8
193.12366	3.3
195.11699	8.3
197.13185	17.8
199.11145	5.0
199.14824	11.8
201.12746	9.4
201.16397	7.4
203.14313	4.3
205.69603	3.7
209.13220	8.6
211.14816	9.6
213.12805	3.8
213.16420	10.9
219.13771	4.8
221.13278	4.5
225.16476	5.2
227.14388	16.9
227.17807	4.2
229.15863	16.4
233.15369	4.9
237.16357	4.5
241.15758	3.9
251.18044	8.9
252.10211	3.7
255.17340	5.3
267.17538	7.1
269.19168	5.9
275.20190	4.2
279.17508	11.5
283.20660	3.9
321.22137	4.1
329.22617	4.2
331.20358	5.2
345.22073	5.7
347.23727	11.8
357.20651	19.1
365.24902	8.0
391.29855	14.8
401.28473	33.3
419.29465	100.0
420.30118	5.0
425.26904	5.9
433.31165	4.5
437.30667	15.0
447.28778	14.2
451.31989	6.8
461.30170	5.4
465.30060	36.9
479.31433	33.1
483.31183	19.7
497.32593	20.7
507.30981	3.8
525.35425	6.3
543.37231	40.1
558.75641	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14546	0.9
69.03429	2.1
71.48487	1.1
73.02870	0.7
83.56763	0.9
85.02928	5.0
97.02895	1.1
98.97595	2.8
101.00886	1.7
110.97578	1.1
118.85060	0.8
119.01925	2.3
119.04993	1.0
122.01402	1.1
123.01282	1.0
127.03896	2.0
131.01903	1.8
131.51978	1.1
137.01981	1.0
137.51942	1.6
139.00812	1.1
143.00172	0.8
143.01895	4.5
143.52072	1.2
144.01849	1.0
145.00757	1.3
145.01756	1.5
145.03531	0.8
145.05003	1.7
147.04445	2.3
151.00772	1.6
152.02444	1.2
155.01950	2.7
157.03508	1.4
160.01289	0.9
161.03078	1.7
163.03972	3.7
164.04269	0.8
167.01906	0.9
170.99599	1.0
173.01607	0.7
173.02956	3.9
174.03017	1.4
181.01900	2.1
185.03056	2.6
189.04289	1.0
189.05913	0.8
197.03040	2.0
201.00795	1.9
203.04076	2.7
203.54160	1.1
204.03954	1.4
211.02841	1.3
215.04115	0.9
219.01802	2.1
219.03796	0.8
221.05148	0.9
225.04683	1.0
232.03484	3.3
245.05138	8.4
247.05020	3.1
261.02527	1.4
261.04950	1.2
265.05774	1.4
275.06281	1.2
277.00107	1.0
279.03656	1.3
280.99698	1.1
291.05704	0.9
299.56012	1.1
303.04153	1.1
305.07178	0.9
337.09732	1.9
351.11432	1.1
363.06836	2.6
365.09225	1.7
381.07996	15.6
401.04413	0.9
543.13275	100.0
544.13696	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	17.5
69.26138	13.1
69.26797	98.0
71.04984	30.2
74.95422	13.8
76.52674	12.9
83.04991	15.4
85.02906	72.5
103.05485	13.3
107.04935	13.0
129.05507	20.2
131.04939	29.9
137.05980	100.0
147.04443	27.0
149.06061	22.2
151.07565	47.6
154.23981	15.3
161.06000	25.1
163.07491	90.0
175.07574	24.7
177.05518	18.1
177.09100	41.4
178.09457	35.0
179.06944	17.8
189.09076	17.0
191.07030	25.0
194.95389	16.7
217.08670	25.5
233.08040	17.8
259.09720	16.0
267.05383	12.3
295.11887	17.4
307.11716	23.1
333.15979	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	543.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00843	0.8
51.41982	0.8
56.11673	0.8
59.98795	0.6
66.08611	0.7
67.54385	0.7
69.61579	3.3
69.62007	2.4
72.80112	0.9
74.95905	0.9
87.48609	0.7
92.64295	0.9
98.21494	1.1
117.14774	0.8
121.92223	0.9
122.21055	0.9
125.88356	0.8
140.77235	0.7
168.14714	0.7
193.80377	0.9
232.03331	1.5
246.24503	0.8
363.06992	2.5
381.07941	17.6
495.49722	1.0
530.28717	0.9
543.13257	100.0
544.13501	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02433	8.4
69.17607	100.0
71.04984	20.2
76.80630	8.7
85.02887	30.3
89.56724	9.9
113.06081	9.9
131.04926	24.3
137.05966	47.8
147.04382	11.4
149.05971	20.9
151.07550	13.9
161.05931	12.5
163.07538	39.6
175.07634	13.6
189.09148	15.2
191.07082	17.2
206.53557	10.7
229.08627	17.0
259.09726	12.6
277.10745	11.9
373.96213	11.4
475.18381	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	542.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35775	0.4
53.03930	0.4
67.23181	0.4
69.72407	1.3
69.72820	1.0
72.37248	0.4
79.05498	0.7
85.02903	0.7
91.05482	1.2
93.07047	1.3
97.02903	0.5
103.05478	7.4
107.04958	1.8
118.98052	0.4
119.04942	1.1
120.08111	100.0
131.04927	2.5
136.06206	0.7
137.06006	0.8
147.04413	2.1
149.05988	2.5
166.08653	47.6
166.51128	0.4
167.07013	0.9
179.07065	2.7
218.46638	0.4
275.09125	0.4
297.80045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.8
53.03955	10.7
55.01862	3.6
55.05516	25.7
57.03430	4.3
57.07070	4.5
59.05001	1.0
65.03941	6.0
67.05508	78.1
69.03426	2.5
69.07075	17.5
71.04991	2.8
71.08649	1.6
73.06552	2.4
77.03931	2.2
79.05499	100.0
81.03431	8.5
81.07063	64.1
83.04987	9.2
83.08626	10.2
85.06550	2.6
88.07640	1.4
91.05488	71.4
93.07050	86.3
95.04969	16.6
95.08612	47.0
97.02930	1.1
97.06529	5.2
97.10186	4.1
98.20732	2.8
98.97591	2.5
99.08109	1.7
102.09197	1.3
103.05522	1.4
105.04514	4.8
105.07037	46.9
107.04987	6.4
107.08602	33.6
109.06517	5.8
109.10156	12.6
111.08115	3.0
115.05467	2.3
116.98663	0.9
117.07018	12.2
119.08589	28.6
121.06506	2.3
121.10156	18.9
123.08108	3.8
123.11676	1.9
125.09547	1.0
128.06261	2.7
129.07011	16.6
131.08586	13.8
133.10138	17.5
135.11687	11.3
137.09677	1.6
141.06975	2.2
142.07829	1.3
143.08592	12.3
145.10130	16.1
147.08069	2.2
147.11694	31.7
149.13292	5.1
155.08633	3.5
156.09380	1.5
157.10080	4.9
159.11710	6.4
161.09660	2.6
161.13254	13.4
162.42073	1.0
163.11218	1.1
163.14905	1.8
167.08603	1.3
169.10175	4.9
171.11697	23.1
173.13298	4.0
175.14880	1.7
181.10182	1.6
183.11702	3.4
185.13306	2.6
187.14850	2.5
189.12746	7.8
195.11830	1.8
197.13341	2.8
199.14888	2.0
201.16496	1.3
207.13817	22.7
209.13394	1.0
211.14812	1.8
223.14807	1.4
225.14772	1.2
235.14743	1.2
241.19583	1.3
256.26483	2.8
261.22195	3.8
281.17447	1.6
285.80338	1.0
311.29462	1.7
317.24683	1.5
431.33313	1.2
449.34286	5.9
467.35193	1.4
500.28052	2.1
505.36380	1.7
523.37836	2.8
540.53711	1.7
541.39008	78.9
541.53790	6.1
542.39764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.1
53.03942	10.2
54.23030	0.8
54.46365	0.8
55.01876	1.8
55.05512	26.8
57.03432	3.6
57.07069	5.9
65.03952	5.0
66.89437	0.9
67.05506	85.4
69.03413	1.0
69.07068	20.0
69.24893	1.0
69.25192	8.7
70.06594	1.7
71.04985	3.3
71.08626	1.8
77.03934	2.8
79.05497	100.0
81.02984	1.4
81.03419	8.5
81.07059	67.9
83.04985	12.8
83.08618	10.0
85.06541	2.7
88.07617	2.3
88.94622	0.9
91.05484	73.0
91.97117	1.0
93.07047	85.8
95.04967	20.8
95.08611	45.7
97.06532	5.0
97.10181	4.2
99.08127	1.0
102.09169	1.0
103.05499	1.9
105.04526	4.7
105.07034	48.0
107.04967	7.2
107.08599	35.0
109.06522	5.8
109.10155	12.1
111.08102	1.9
115.05489	3.0
117.07018	12.9
119.08587	27.8
121.06528	1.7
121.10148	18.2
123.08066	5.2
123.11694	1.9
125.09670	1.5
127.07564	1.8
128.06256	3.6
129.07010	12.6
130.07799	1.8
131.08583	14.1
133.10129	16.7
135.11696	12.5
142.07802	1.2
143.08556	10.4
145.10126	15.4
147.08072	3.3
147.11691	32.0
147.12811	1.6
149.13277	3.9
155.08586	1.4
156.09329	1.0
157.10170	3.7
159.11676	5.9
161.09668	3.2
161.13263	15.4
163.14821	1.0
169.10139	2.4
171.11693	24.2
173.13245	4.4
177.12764	1.1
179.14368	1.4
183.11678	2.2
185.13210	1.9
187.14810	1.5
189.12737	9.9
195.11716	1.5
197.13248	1.2
199.14880	1.8
207.13815	29.8
211.14706	2.1
225.14760	1.3
228.06543	1.0
256.26352	2.7
257.26819	2.2
261.22162	4.2
281.17633	1.3
284.26624	1.0
300.79868	1.1
311.29642	2.6
312.29745	2.0
317.24905	2.1
449.34280	3.1
497.20218	0.9
523.37854	2.6
540.53394	2.6
541.38953	83.2
541.52734	11.9
542.39148	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01263	7.8
53.67714	8.1
55.05515	23.8
61.93194	7.4
66.10052	8.9
67.05502	22.5
69.07074	19.5
71.08636	9.8
79.05493	28.5
81.03382	8.7
81.07056	71.5
82.86278	9.3
83.04991	32.2
83.08607	13.3
84.28339	8.3
91.05515	48.4
93.07036	77.6
95.04980	8.4
95.08606	100.0
97.06512	13.0
98.21654	12.8
99.08130	15.6
105.07059	92.3
107.08614	94.5
109.06521	21.5
109.10161	49.1
111.04465	8.5
117.07005	19.1
119.08577	92.1
121.10159	55.9
123.11710	17.1
125.09673	13.0
131.08611	71.2
133.10158	86.9
135.08032	18.1
135.11697	36.4
137.06015	11.9
139.11102	11.4
141.06993	14.4
143.08540	25.9
145.10100	69.0
147.04416	14.8
147.08003	10.7
147.11697	81.9
149.09700	10.4
149.13243	25.8
155.81099	8.8
156.38786	11.0
157.10130	34.6
159.11702	68.7
161.13261	25.8
163.14737	19.6
167.07016	23.1
169.10123	10.0
171.11771	11.2
173.13251	40.0
175.14841	31.6
177.16418	19.7
181.10219	10.0
183.11700	12.8
184.07338	13.8
185.13237	21.1
187.14870	66.4
189.16405	21.9
191.14297	31.0
197.13338	12.4
199.14853	19.7
201.16391	70.7
203.14413	19.8
203.18039	12.4
205.15877	34.8
211.14877	13.8
213.16389	9.3
215.72197	8.9
219.17557	17.1
221.15399	25.2
223.16943	10.9
243.20889	8.9
247.17050	13.0
286.91086	8.0
307.63498	8.4
405.31442	31.5
407.33478	15.0
411.28729	14.3
423.32645	39.2
425.33871	11.8
441.33691	17.3
451.31982	29.3
469.33563	54.3
487.34341	73.6
505.35318	59.6
522.37061	15.0
541.29602	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	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23269	0.9
65.33567	0.9
69.03436	2.2
69.26623	8.3
69.27013	1.6
81.03410	1.1
85.02919	7.4
91.05486	7.2
95.04973	1.7
97.02897	1.3
98.21535	1.7
103.05486	1.4
107.04929	2.0
108.62698	0.9
109.02895	0.9
119.04973	6.0
121.06507	2.2
122.03662	2.2
129.06989	4.9
131.04938	1.8
135.08046	1.3
137.05984	31.6
144.03033	1.0
145.05037	1.1
145.06554	1.2
149.06030	5.0
151.04056	1.0
151.07552	41.4
157.06485	3.7
161.06004	6.4
161.09621	1.5
163.07576	11.2
165.07030	1.2
165.09158	1.5
167.08588	3.8
174.06827	2.2
175.07578	2.7
177.09135	4.7
178.07796	1.1
189.09131	15.0
193.06480	2.5
193.10228	2.5
195.08060	9.1
207.10115	2.5
209.05916	1.6
209.09677	1.5
212.08318	1.5
221.05946	2.9
221.09596	4.5
223.07547	4.1
224.08243	1.3
225.09111	4.2
227.10654	12.7
237.08907	1.2
238.06221	1.7
249.09097	2.2
253.08661	5.2
253.12291	7.0
255.10165	13.1
267.10184	2.2
269.08063	1.7
269.11673	1.3
272.10428	2.0
281.11737	3.0
285.11206	9.9
287.12808	27.9
299.12900	2.0
301.14337	1.0
313.14389	25.0
331.15433	100.0
332.15936	1.5
343.15402	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	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.3
56.06338	2.4
57.02950	2.2
65.67757	2.6
69.03452	2.4
69.13808	4.5
69.14201	21.5
70.06586	3.1
79.05508	2.7
81.03384	2.8
85.02905	9.7
91.05478	15.7
95.04996	3.6
95.08691	3.1
97.02882	4.4
100.11212	3.2
105.07049	4.2
107.04917	3.1
107.08619	3.2
119.04956	15.2
119.08568	3.4
121.06515	3.9
121.10132	2.7
127.03885	2.8
129.07005	8.8
131.04927	6.0
131.08583	9.6
137.05995	29.1
137.09656	3.4
141.07059	5.5
147.04422	35.3
148.04860	2.5
149.05997	3.9
151.07555	22.0
153.01817	3.1
157.06473	11.5
159.08060	8.7
161.05978	3.2
161.09698	8.3
163.03961	3.1
163.07603	5.3
163.11215	2.4
165.09091	6.0
167.08571	3.5
174.06786	15.0
175.07607	4.4
181.52618	2.5
186.06824	4.4
189.09122	32.3
191.10638	4.9
195.08028	5.1
201.09143	7.8
207.10107	4.1
209.09676	2.5
219.10175	100.0
221.09583	4.7
223.07567	3.8
227.10701	6.6
255.10095	5.1
267.10455	2.4
272.01355	2.4
282.47430	2.3
285.11346	6.0
287.12772	10.2
303.62726	2.5
313.14520	11.5
331.15436	35.9
477.31180	4.6
540.30951	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	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49030	1.0
51.93732	0.9
53.25607	0.9
54.99857	1.0
59.05143	1.0
59.14784	1.0
59.27695	1.0
70.52366	3.1
74.67250	1.0
79.05458	1.2
85.02904	1.5
91.05478	3.2
101.40133	1.1
103.05480	7.1
105.07008	1.2
116.98668	1.0
117.07014	2.4
119.04951	2.6
121.06486	1.5
122.03635	1.7
128.06276	1.2
129.07050	1.5
131.04933	16.3
137.06003	21.8
149.06023	1.7
151.07553	15.3
161.05972	2.6
162.06781	1.1
163.07573	35.9
175.07539	4.4
177.09122	100.0
189.09103	3.9
195.08113	1.8
195.10167	2.2
203.10645	1.3
207.10059	1.3
221.09697	2.0
221.11760	16.4
223.07758	1.4
227.10707	2.6
237.51175	1.3
253.08496	1.1
253.12228	2.1
255.10202	4.1
285.11252	2.6
287.12924	6.0
299.12851	1.6
311.12704	2.6
313.14301	5.6
331.15390	18.2
336.54501	1.0
343.15421	3.0
426.27899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
53.09608	1.7
55.01870	3.5
55.05516	20.5
56.80262	1.9
57.07066	2.8
60.75988	2.3
64.43233	2.3
67.05502	7.8
69.03429	5.7
69.07067	10.3
71.49363	2.8
79.05503	13.5
81.07059	22.2
83.04993	3.7
83.08651	12.4
85.02847	2.4
85.06554	2.8
91.05484	18.6
93.07056	22.6
95.04948	2.7
95.08625	23.4
97.06538	6.4
99.08098	2.6
103.05443	6.3
105.07051	39.6
107.04981	3.6
107.08612	30.5
109.06497	9.4
109.10160	7.0
111.08088	6.5
115.05533	2.1
117.07011	8.0
119.04956	3.5
119.08594	43.2
121.06525	10.6
121.10154	18.4
123.04488	2.1
123.08058	8.6
123.11697	5.1
128.06239	2.3
129.07054	2.7
131.04912	6.0
131.08577	23.1
133.06479	5.8
133.10146	28.9
135.08054	7.7
135.11696	7.2
137.05995	12.7
137.09608	5.9
143.08572	16.4
145.06512	3.8
145.10153	15.0
147.04417	3.0
147.08049	5.9
147.11714	14.9
149.05951	2.5
149.09602	6.0
149.13271	5.0
151.07532	8.8
151.11201	2.2
155.08557	4.2
156.09373	2.6
157.10164	21.1
159.11710	17.1
161.05998	10.3
161.09645	7.0
161.13281	9.1
163.03880	3.2
163.07550	5.7
163.11156	4.3
163.14861	6.3
165.05565	2.7
165.07016	2.7
165.09056	2.5
167.07053	11.4
167.08388	2.3
169.10153	6.6
170.10837	2.5
171.11688	8.2
173.13286	31.4
175.07561	5.7
175.14856	32.9
177.05426	2.5
183.11702	10.2
185.13297	21.5
187.14857	17.0
189.09152	4.8
191.14310	40.1
193.15930	4.3
197.13231	5.2
199.14833	6.9
201.16409	3.9
203.14346	38.3
205.16035	2.2
207.10153	5.2
209.13293	3.0
211.14822	2.8
213.16472	4.7
215.18016	2.5
217.15808	2.9
221.15414	26.4
225.16304	2.7
231.11676	2.3
231.13898	4.1
237.18556	4.7
239.16409	31.0
249.14874	6.5
251.18005	2.3
253.19662	3.4
259.09753	2.4
317.08289	2.3
337.14432	3.2
389.27084	5.7
403.24698	7.6
403.29678	3.8
405.26215	4.1
421.20224	4.6
421.25919	85.4
421.31015	9.0
431.29388	3.5
439.32068	9.3
441.33423	3.0
449.29977	4.8
457.33197	28.0
459.34662	7.2
467.31619	5.5
475.34280	37.9
485.32834	15.5
503.33783	26.8
521.34821	100.0
522.34650	3.5
539.27911	7.6
539.35681	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3585
Annotation	(+)-Milnamide A
Peak:m/z	Relative Intensity
53.03938	4.7
55.01868	2.4
55.05518	18.6
60.00722	1.7
64.99599	2.0
65.03937	2.1
67.05514	10.2
69.03428	4.7
69.07053	7.8
71.50262	2.4
71.50647	4.0
79.05510	12.1
81.03426	3.7
81.07066	20.5
83.04987	2.6
83.08627	10.8
84.04514	4.7
84.59495	2.0
85.02902	5.8
88.52485	1.7
91.05489	12.3
93.07059	23.2
95.04963	4.8
95.08614	21.1
97.02914	2.0
97.06522	4.5
97.10173	1.9
105.07034	33.2
107.04961	3.7
107.08611	22.9
109.06519	7.3
109.10160	9.7
111.08086	5.1
117.07010	8.6
119.08599	34.9
120.08855	1.9
121.06502	5.0
121.10172	17.7
123.08089	4.6
123.11701	3.4
127.03928	2.8
129.07027	3.5
131.08580	21.4
133.06459	3.0
133.10135	22.8
134.06065	3.2
135.08040	6.6
135.11699	5.2
137.02353	5.1
137.06020	11.5
137.09627	5.5
139.07518	3.0
143.08611	12.4
145.06500	2.5
145.10124	17.7
147.04410	3.1
147.08057	7.1
147.11676	12.6
149.06006	2.1
149.09610	6.9
149.13248	3.2
151.03918	2.5
153.01819	2.6
155.08565	2.5
156.09421	2.9
157.10138	18.2
159.11707	14.0
161.09628	5.7
161.13255	10.3
163.07533	3.4
163.11218	3.3
163.14923	3.9
165.05470	2.7
167.07039	6.6
169.10149	6.1
170.10916	2.2
171.11702	10.1
173.13255	26.1
175.11176	5.3
175.14841	31.7
177.12714	4.3
181.10236	2.4
183.11676	7.0
185.13228	17.0
187.11261	2.6
187.14787	14.8
189.16505	2.8
191.14323	37.9
193.15826	3.8
197.13210	4.3
199.14806	6.5
201.12825	2.5
201.16338	3.8
203.14337	30.7
205.15921	3.9
209.13292	2.6
211.14893	4.4
213.16504	2.9
215.14325	4.0
221.15378	24.5
231.13872	2.7
237.18457	5.0
239.16399	32.4
249.14940	5.6
290.08701	2.9
313.21555	2.6
335.94183	2.3
365.21091	2.0
377.23004	15.4
387.69427	2.3
389.26736	5.0
403.24551	6.5
403.29492	3.2
405.26385	2.7
421.25882	66.6
421.30966	6.9
439.32156	6.7
441.33783	2.1
449.30807	4.1
457.33209	27.5
459.34787	3.8
467.31628	4.2
468.19058	2.4
475.34174	31.0
485.32779	10.6
503.34125	26.1
521.34906	100.0
522.34668	2.8
539.28052	10.0
539.36481	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.7
59.83137	1.8
69.03440	2.9
69.07061	2.1
69.84191	6.3
69.84597	5.2
76.88877	2.4
79.05505	11.2
81.07052	5.0
85.02901	2.3
86.57771	2.3
91.05482	16.2
93.02025	2.3
93.07046	4.8
94.04154	4.5
95.04948	3.0
95.08572	3.0
97.06541	3.1
103.05485	21.5
105.07048	12.5
107.04959	45.0
107.08597	4.9
109.10181	3.2
115.05482	6.6
116.06202	2.7
119.04982	6.6
119.08595	3.4
121.06541	3.8
121.23481	1.8
122.03661	6.9
123.04442	2.2
123.08059	3.5
129.07025	5.4
131.04935	9.6
131.08592	3.5
133.06520	3.2
135.04384	3.1
135.08046	11.9
137.05988	100.0
142.96019	2.4
144.05719	4.6
145.06534	3.6
145.10233	2.6
147.04387	6.5
149.06000	4.9
149.09666	2.4
151.07568	25.0
157.06516	4.7
161.06004	35.6
161.09622	4.9
163.03893	2.8
163.07559	52.2
167.07048	6.2
171.04407	2.5
175.07571	23.9
176.04662	3.0
176.08366	4.7
177.05476	7.0
177.09129	2.4
181.06474	1.8
181.07198	2.3
181.08568	15.3
185.05809	2.2
187.07518	2.1
189.05440	6.8
189.09142	13.3
190.06285	3.7
190.63329	2.2
191.07037	4.3
195.10216	9.5
203.07048	16.8
204.07822	27.5
207.10167	6.0
217.08542	11.8
219.08131	3.0
219.10046	2.8
221.05998	4.0
221.07979	3.6
225.09236	2.3
237.09161	6.2
247.07559	2.4
249.09149	4.6
253.08582	2.3
255.84203	2.1
265.08572	11.7
267.10297	3.6
271.01834	2.5
277.08621	8.0
279.10147	5.5
281.08215	2.7
283.09784	2.5
285.11292	4.2
296.10675	2.3
297.11270	13.2
299.12781	2.5
309.11151	5.1
311.12744	9.4
315.12335	4.0
323.12793	4.7
335.12601	2.8
337.14505	12.1
340.13177	9.2
341.13889	24.5
353.14059	4.9
355.15405	12.2
357.13440	5.5
367.15472	8.0
458.56763	2.1
461.19818	2.5
491.19717	2.7
509.21454	8.3
521.21741	9.2
539.20392	3.8
539.28070	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	539.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.7
59.83137	1.8
69.03440	2.9
69.07061	2.1
69.84191	6.3
69.84597	5.2
76.88877	2.4
79.05505	11.2
81.07052	5.0
85.02901	2.3
86.57771	2.3
91.05482	16.2
93.02025	2.3
93.07046	4.8
94.04154	4.5
95.04948	3.0
95.08572	3.0
97.06541	3.1
103.05485	21.5
105.07048	12.5
107.04959	45.0
107.08597	4.9
109.10181	3.2
115.05482	6.6
116.06202	2.7
119.04982	6.6
119.08595	3.4
121.06541	3.8
121.23481	1.8
122.03661	6.9
123.04442	2.2
123.08059	3.5
129.07025	5.4
131.04935	9.6
131.08592	3.5
133.06520	3.2
135.04384	3.1
135.08046	11.9
137.05988	100.0
142.96019	2.4
144.05719	4.6
145.06534	3.6
145.10233	2.6
147.04387	6.5
149.06000	4.9
149.09666	2.4
151.07568	25.0
157.06516	4.7
161.06004	35.6
161.09622	4.9
163.03893	2.8
163.07559	52.2
167.07048	6.2
171.04407	2.5
175.07571	23.9
176.04662	3.0
176.08366	4.7
177.05476	7.0
177.09129	2.4
181.06474	1.8
181.07198	2.3
181.08568	15.3
185.05809	2.2
187.07518	2.1
189.05440	6.8
189.09142	13.3
190.06285	3.7
190.63329	2.2
191.07037	4.3
195.10216	9.5
203.07048	16.8
204.07822	27.5
207.10167	6.0
217.08542	11.8
219.08131	3.0
219.10046	2.8
221.05998	4.0
221.07979	3.6
225.09236	2.3
237.09161	6.2
247.07559	2.4
249.09149	4.6
253.08582	2.3
255.84203	2.1
265.08572	11.7
267.10297	3.6
271.01834	2.5
277.08621	8.0
279.10147	5.5
281.08215	2.7
283.09784	2.5
285.11292	4.2
296.10675	2.3
297.11270	13.2
299.12781	2.5
309.11151	5.1
311.12744	9.4
315.12335	4.0
323.12793	4.7
335.12601	2.8
337.14505	12.1
340.13177	9.2
341.13889	24.5
353.14059	4.9
355.15405	12.2
357.13440	5.5
367.15472	8.0
458.56763	2.1
461.19818	2.5
491.19717	2.7
509.21454	8.3
521.21741	9.2
539.20392	3.8
539.28070	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	539.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
67.05499	2.4
69.03419	2.7
69.38769	4.3
69.39172	14.1
71.05013	2.7
79.05482	7.8
81.03397	2.7
81.07040	5.6
91.05495	14.6
93.07027	5.0
95.04962	4.2
95.08601	4.8
103.05481	7.4
105.07035	9.3
107.04951	7.2
107.08627	5.3
109.06499	2.9
115.05442	4.9
117.07015	4.1
119.04970	8.1
119.08601	4.5
121.06484	6.9
122.03645	5.7
123.04398	3.3
123.08011	2.4
127.03886	3.6
128.06216	2.7
129.06992	6.4
131.04906	7.8
131.08559	5.2
133.06471	3.7
133.10104	4.2
135.08067	5.8
137.05986	100.0
139.03886	2.1
143.04962	3.0
144.18483	2.1
145.06459	7.2
146.03648	2.7
147.04364	6.8
147.08096	3.5
149.05971	7.7
149.13275	3.1
151.03868	6.1
151.07547	40.1
153.01814	3.3
155.12439	2.4
157.06479	8.4
157.09993	3.4
161.05998	40.2
161.09612	8.8
163.03888	4.9
163.07581	12.2
165.09100	3.7
167.07091	19.4
174.06697	4.1
175.07552	30.8
177.05484	4.7
177.09088	7.8
181.08580	2.8
187.07567	5.7
189.07515	3.3
189.09106	20.6
194.07278	5.1
195.08191	4.2
195.10164	18.4
205.06563	2.4
205.08560	3.8
207.08357	3.3
207.10089	13.1
207.69978	2.4
209.97240	2.5
211.07477	2.4
213.09314	2.3
219.10146	3.6
221.06055	4.7
222.06770	4.5
225.09091	3.4
234.06793	2.8
235.07491	6.0
237.09158	5.9
238.06195	2.5
249.09171	6.0
250.06136	4.6
251.07021	3.2
253.08647	4.2
262.19196	2.5
264.07883	2.6
265.08658	13.4
267.10095	4.5
270.08929	4.1
277.08591	7.8
277.12225	3.8
279.10202	9.4
283.09750	5.6
285.11166	8.1
291.10287	2.5
293.08154	3.1
295.09659	5.5
297.11200	26.7
299.12784	3.5
308.10611	3.3
309.11298	5.9
311.12814	19.2
315.12234	5.0
317.14029	2.9
323.12692	6.6
337.14230	14.5
341.13815	4.1
349.14325	4.1
355.15506	24.6
367.15466	14.5
412.74762	2.4
425.12082	2.7
479.20590	5.6
491.20273	4.7
509.21176	5.7
521.21893	2.8
521.34344	2.7
539.28467	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	539.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81708	1.2
56.96566	2.3
57.03424	4.2
61.02910	4.1
67.53213	1.0
69.03431	9.2
71.75971	1.0
72.04281	1.1
73.02908	3.4
81.03397	2.6
82.99865	1.9
83.04990	1.0
85.02907	15.7
91.82064	1.1
97.02898	6.4
98.97567	8.2
99.04417	1.9
101.00883	16.5
109.02852	3.6
110.01293	2.3
110.97601	3.3
113.00861	3.4
115.02415	1.5
117.03355	1.5
119.01922	23.7
127.02414	2.9
127.03904	8.1
131.01900	9.9
132.51900	1.3
134.46136	1.1
135.04401	2.1
137.02936	1.4
139.02434	1.4
143.00211	1.5
143.01903	25.4
145.03551	10.4
145.04866	5.6
146.02287	2.7
147.01411	1.4
152.02391	1.4
155.01877	16.3
157.03491	11.0
158.99667	4.7
159.05109	1.2
161.02951	20.7
163.03865	15.1
167.01910	13.0
169.03497	5.7
170.99678	3.9
171.01413	4.3
171.05035	2.2
173.02966	21.1
175.03090	1.3
175.04527	2.7
175.53009	1.7
177.00716	3.5
179.01933	6.2
181.03342	1.2
182.03360	4.2
182.99658	2.0
185.02965	45.2
187.02924	1.9
187.04530	6.4
189.00726	2.8
191.03899	10.2
195.01378	4.4
197.02953	17.0
200.04396	9.6
201.00717	3.5
203.00285	2.2
203.03986	11.8
204.54106	1.9
207.01469	1.5
209.02928	1.6
213.02373	6.1
215.00517	1.6
215.03995	11.6
219.01759	5.8
221.03027	1.9
221.05020	2.0
225.02504	2.2
227.04004	11.2
231.03592	4.1
233.01347	3.4
235.06718	2.6
237.02444	3.1
239.03802	1.6
245.05093	100.0
246.05228	3.3
249.02498	2.1
251.02438	3.1
257.01459	2.4
257.05109	7.5
261.02798	3.4
263.06219	12.0
267.03714	2.0
272.06567	8.6
272.56647	2.6
275.02481	17.9
275.06100	18.1
279.03943	3.2
281.07101	24.2
281.57278	3.3
287.02423	3.4
287.05933	2.8
291.03711	2.4
293.07199	5.5
303.05252	1.3
305.03638	3.0
305.07141	11.3
315.05515	1.7
317.03491	4.1
317.06992	2.6
321.04819	2.6
333.06522	3.3
335.04642	2.3
335.08102	5.8
341.03464	1.7
359.04593	15.8
362.09586	4.0
365.09424	10.3
377.05658	26.2
441.09073	2.1
539.10480	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	538.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87742	4.9
55.05494	10.4
55.98116	4.5
62.06088	5.0
67.05494	13.9
69.07050	7.5
71.50246	6.8
79.05489	10.6
81.07054	23.7
83.08634	8.7
91.05479	12.6
93.07051	22.4
95.08611	32.7
97.06540	5.5
99.08075	10.6
105.07033	23.5
105.13199	5.5
107.08599	38.3
109.10156	21.3
117.06956	4.6
119.08586	60.8
121.06461	5.1
121.10138	31.0
123.08051	8.2
123.11736	5.7
126.25969	5.2
131.08598	29.6
131.09398	5.0
133.10120	35.8
135.08037	12.0
135.11746	22.9
137.09624	6.1
143.08562	9.6
145.10149	35.1
147.11700	46.0
149.09590	4.8
149.13245	14.6
151.11226	4.8
157.10149	7.2
159.11694	29.3
161.13226	17.4
163.11172	12.0
163.14845	11.5
173.13260	24.6
175.14775	10.0
177.16412	17.9
183.11729	5.5
184.07378	9.4
185.13341	6.7
187.14838	52.4
189.16391	14.1
191.17841	5.9
199.14757	5.3
201.16396	100.0
203.18010	6.3
205.15884	73.0
207.17455	12.9
213.16383	6.8
217.19540	5.7
219.17441	23.6
223.16924	21.8
231.17236	5.3
407.33203	32.6
425.34055	35.2
439.32144	7.0
443.35165	8.0
453.33469	19.1
457.32767	12.8
471.34360	10.5
485.36270	8.3
489.35959	36.1
503.33884	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	538.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.9
55.05519	10.9
66.57378	6.0
67.05499	15.9
69.07066	18.9
71.50484	10.0
73.17250	6.5
74.23868	6.6
79.05487	19.1
81.03410	8.6
81.07050	39.9
83.04950	10.1
83.08620	8.3
85.02897	33.3
91.05483	27.2
93.07048	27.3
95.08596	40.7
97.02905	10.7
99.08104	25.6
103.05395	7.4
105.07016	63.3
106.38760	6.5
107.08582	41.1
109.10160	47.3
111.08076	9.4
117.07063	10.4
119.08587	58.5
121.06500	24.7
121.10158	30.9
123.08115	13.6
123.11707	13.2
127.03906	7.8
128.06187	9.2
131.04958	10.1
131.08565	46.2
133.10107	50.1
135.11685	9.2
137.05965	8.0
139.07578	13.2
143.08559	81.9
145.04950	13.5
145.10106	44.9
147.04384	9.1
147.08067	17.4
147.11717	21.8
149.05997	24.6
149.09676	12.8
149.13271	13.8
157.10114	15.6
159.11717	18.7
161.13243	17.4
163.11087	11.3
163.14819	24.8
169.10121	12.4
171.11720	11.5
173.13290	46.4
174.13728	6.8
175.14836	19.5
177.12811	12.4
177.16286	18.9
183.11728	14.9
185.13245	23.6
187.11176	15.9
187.14806	57.4
188.46394	6.7
189.12877	9.9
191.14340	17.3
197.13298	8.8
201.12787	16.3
203.14232	18.8
205.12233	38.1
205.15921	58.8
209.13170	12.9
211.14893	7.5
215.14421	11.8
219.13799	59.7
223.14922	14.2
223.16893	86.9
243.90498	7.4
288.47952	8.2
299.06281	7.0
331.24030	8.8
333.31186	9.0
347.23096	7.0
403.29926	11.3
421.30893	25.4
439.31931	31.4
457.33350	100.0
467.31595	8.0
485.32315	16.3
503.33719	16.0
520.33514	13.2
559.26984	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	538.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.05504	6.3
57.07067	4.5
63.96233	1.8
67.05510	13.1
69.03429	4.2
69.07065	10.9
70.71559	3.4
70.71905	4.8
73.04749	2.0
74.57854	2.5
79.05502	13.5
81.07051	18.5
83.08624	6.1
83.75852	2.6
85.06561	5.2
91.05468	17.6
93.07049	30.9
95.04951	3.7
95.08614	22.5
97.06538	5.2
99.08100	21.2
105.07035	34.7
107.08600	50.9
109.06519	3.0
109.10153	28.8
109.97444	2.4
117.06996	6.9
119.08584	57.4
121.06509	10.4
121.10156	43.0
123.08072	9.4
123.11746	6.3
129.07095	3.0
130.07813	4.0
131.08574	18.3
133.09148	3.1
133.10132	56.9
135.08061	12.2
135.11662	15.1
137.09616	47.8
137.10616	3.8
143.08540	10.4
144.09352	6.0
145.10123	63.4
147.08012	10.9
147.11667	23.8
149.09619	8.9
149.13264	13.3
151.11217	6.5
156.09381	5.6
157.10146	16.4
158.10936	4.4
159.08102	2.7
159.11697	100.0
161.09605	24.4
161.13242	22.5
163.11177	30.7
163.14830	11.2
165.09157	4.7
169.10143	4.2
170.11009	3.5
171.11690	27.6
173.09531	3.2
173.13274	32.5
175.11165	9.4
175.14816	13.8
177.12747	42.1
177.16385	20.3
179.14371	4.1
183.11705	6.9
185.13295	11.4
187.11206	3.2
187.14833	67.5
189.12741	17.1
189.16377	29.1
191.14349	14.5
195.13869	6.8
197.13326	10.7
199.14772	6.2
201.12721	2.7
201.16411	10.1
203.14398	9.7
203.18024	4.9
205.15891	62.7
207.17471	3.0
209.13544	3.0
209.15337	15.3
211.14857	6.8
213.16389	80.3
215.14301	15.9
215.17873	11.5
217.15907	5.1
219.17441	4.0
223.14928	4.5
223.16946	12.0
225.16431	7.6
227.17990	3.3
229.15973	5.1
231.17445	27.3
233.15523	5.8
235.17004	11.3
237.14586	2.6
241.15788	3.5
243.17413	6.2
247.16911	7.1
249.18546	27.3
255.15895	6.9
281.17474	6.4
291.15900	2.7
295.18967	18.8
301.21960	3.2
331.24268	3.6
349.25189	6.7
367.26425	4.3
373.23654	5.0
385.29089	2.9
393.31454	3.5
403.30157	14.8
421.30957	22.5
431.29724	2.9
439.32111	23.3
449.30539	11.8
455.31580	4.0
457.33075	2.3
467.31604	63.7
485.32663	95.5
503.33463	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	538.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23119	6.4
57.07076	5.7
67.05495	11.0
69.07073	15.3
69.45452	51.5
79.05490	18.7
81.03400	6.4
81.07066	22.9
83.08624	15.8
89.73464	6.5
91.05484	14.8
93.07051	43.2
95.08614	49.4
96.71925	7.4
98.20776	13.0
99.08095	17.5
100.28259	7.0
103.05534	7.2
105.07041	33.4
107.08611	44.4
109.10100	30.9
111.08083	7.7
117.07007	9.5
119.08592	71.0
121.10136	50.5
123.08083	15.8
123.11721	14.9
131.08569	25.8
133.10124	59.4
135.11708	26.7
137.09628	100.0
143.08620	12.4
145.10141	59.9
147.11751	38.7
149.09584	7.0
149.13251	12.2
154.22757	6.3
157.10194	14.9
159.11734	54.9
161.09622	10.2
161.13293	22.5
163.11142	14.1
163.14871	15.4
171.11697	20.6
173.13318	40.1
175.14844	20.9
177.12848	18.0
177.16406	20.2
183.11710	6.7
185.13232	16.3
187.14844	62.3
189.16388	18.0
191.14359	14.4
197.13237	12.3
199.15063	6.1
201.16470	29.9
203.14378	6.3
205.15889	61.0
207.17354	7.6
209.15369	63.2
213.16394	29.8
215.14227	7.3
219.17484	8.7
223.16939	37.2
231.17477	18.0
235.16902	8.4
237.38443	6.8
249.18456	14.4
255.15836	32.7
267.19647	9.3
295.19214	8.4
421.30908	7.9
425.34528	9.5
439.32126	18.5
457.33096	24.5
467.31540	20.0
485.32269	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00107	4.9
55.05508	10.5
55.72736	4.3
58.99509	5.2
59.05007	4.7
61.57439	4.7
67.05504	12.6
69.07070	14.7
70.62657	12.0
70.63011	9.8
73.84060	5.2
79.05484	23.7
81.07052	37.7
83.04969	5.1
83.08605	8.7
85.06559	8.8
91.05484	18.2
93.07041	36.4
95.08612	38.8
96.12648	5.3
97.06541	5.8
99.08089	22.3
103.02142	5.3
105.07048	100.0
107.08614	54.2
109.06509	9.0
109.10167	47.0
117.06996	8.5
119.08594	68.0
121.06522	9.2
121.10159	53.5
123.08105	9.9
123.11750	10.6
125.09651	7.7
129.07018	6.2
131.08571	54.5
133.06508	13.2
133.10139	55.3
135.08080	10.9
135.11714	19.7
137.09642	90.5
143.08495	11.8
145.10143	62.3
147.08066	6.1
147.11673	41.7
149.09541	7.5
149.13368	12.4
151.11159	7.5
157.10106	24.4
159.08035	8.2
159.11719	31.6
161.13318	26.6
163.11203	9.3
163.14807	18.4
171.11710	16.3
173.13289	49.1
175.14851	22.9
177.12672	6.9
177.16408	17.1
183.11652	7.8
185.13234	8.7
187.14833	52.1
189.16335	5.8
191.14313	17.6
197.13211	10.9
199.14795	13.5
201.16364	14.8
203.14302	13.4
205.15892	69.5
209.15326	40.7
213.16420	19.4
219.13820	20.1
223.16896	54.0
231.17610	11.9
241.19292	5.9
242.69928	5.3
255.15892	8.7
310.20786	5.4
367.26349	8.2
405.31512	11.3
423.32629	12.7
439.32095	15.4
441.33762	15.7
457.32971	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.0
60.08169	5.5
60.93695	6.0
63.22472	4.4
64.60172	4.7
67.05509	7.1
69.07048	7.8
70.22450	20.9
77.69675	5.0
79.05507	12.5
81.07058	20.7
83.08616	8.5
83.46703	4.4
86.09700	15.8
91.05481	14.9
93.07037	17.6
95.08611	24.4
97.06523	6.0
99.08076	21.3
105.07046	44.8
107.08617	30.0
109.06532	9.2
109.10177	16.7
111.08102	7.8
117.07062	8.2
119.08567	38.4
121.06499	6.4
121.10168	28.1
125.00034	7.1
128.06236	7.0
129.06958	5.3
131.04910	6.1
131.08562	20.9
133.10178	24.4
135.11668	11.1
143.08601	61.7
145.10144	24.7
147.08049	10.6
147.11732	13.1
149.05971	21.3
149.13268	12.2
151.11253	5.5
157.10133	13.2
159.11703	17.3
161.13200	8.7
163.11189	6.6
163.14862	12.7
167.05667	5.0
169.10153	7.8
171.11688	7.3
173.13263	31.3
175.14848	17.2
177.12863	7.1
177.16350	9.4
183.11768	10.7
184.07333	51.9
185.13246	5.3
187.14798	26.3
191.14262	9.4
197.13258	12.0
201.12724	8.3
203.14294	9.6
205.15906	60.4
214.28099	4.7
215.14362	8.8
219.13943	32.1
223.16940	28.7
243.13942	7.9
265.13989	5.7
299.06006	7.2
370.89212	5.6
385.27106	9.9
397.31235	5.8
403.29913	5.4
421.31250	8.5
439.32013	33.9
457.33203	100.0
467.31250	6.8
485.32394	15.1
503.33844	43.3
538.31073	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	538.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37749	6.2
53.99447	6.8
55.04310	8.1
55.05513	23.4
65.93460	6.8
67.05511	21.7
69.07076	12.8
69.32558	6.9
71.49992	11.6
79.05498	24.4
81.07072	41.4
83.08611	13.5
91.05476	29.9
93.07057	41.6
95.04963	8.9
95.08611	35.3
97.06561	7.4
101.76926	6.8
105.07050	54.8
107.08588	46.7
109.10193	44.7
111.08089	12.6
112.92368	6.9
117.07059	11.8
119.08598	100.0
121.06531	7.2
121.10165	41.5
123.08129	10.6
123.11732	10.7
131.08594	25.1
133.10158	72.6
135.08046	15.7
135.11685	22.7
137.06017	8.9
137.09584	12.0
143.08540	11.3
145.10161	40.5
147.08083	7.3
147.11725	34.4
148.07561	47.9
149.09587	11.1
149.13287	16.3
151.11162	12.5
153.09090	7.8
157.10172	18.0
159.11739	28.8
161.09651	14.0
161.13268	11.7
163.07652	9.1
163.14659	7.2
165.12801	9.7
167.05574	8.1
169.10170	9.8
171.11736	23.2
171.94191	7.2
173.13300	27.9
174.10378	7.9
175.11208	11.4
175.14839	65.7
177.09216	9.0
177.12843	8.6
177.16446	10.8
183.11716	14.1
185.13235	14.5
187.11230	8.0
187.14848	29.8
189.16406	28.3
191.14325	8.5
203.14351	24.6
205.16106	12.6
213.16353	10.8
219.13937	7.5
221.15405	9.6
235.16966	11.1
249.14925	21.3
397.30811	7.7
421.30939	23.3
439.31964	22.9
449.30569	10.3
467.31790	18.3
485.32648	13.6
503.33685	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	537.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	29.9
57.03432	14.0
57.07077	53.3
59.63858	7.3
66.96522	7.1
67.05510	56.9
69.07062	31.2
70.17159	30.4
71.08652	35.3
73.04742	10.7
79.05504	88.1
81.07062	73.3
83.04969	19.5
83.08609	26.0
85.10187	13.4
91.05470	69.6
93.07051	69.8
95.04961	18.9
95.08619	54.8
97.10169	10.2
98.20883	8.5
105.07057	44.5
107.08586	26.9
109.10133	22.2
119.08583	20.1
121.10076	7.4
129.06996	22.3
133.10109	22.7
136.20663	6.6
143.08572	8.0
145.10110	12.3
146.84378	8.6
147.11697	50.8
161.13203	15.5
170.27202	7.3
171.11684	31.6
181.34181	7.2
189.12733	17.9
207.13799	28.1
281.17502	63.3
300.05942	8.0
313.27402	75.7
334.51834	7.6
369.51862	8.0
519.40503	100.0
537.37933	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	537.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33835	6.5
55.05518	78.4
57.07082	14.5
67.05495	28.8
69.07068	22.6
69.72293	34.9
69.72720	13.0
79.05486	22.0
81.07055	35.9
83.05003	8.0
83.08617	52.6
85.06557	8.3
91.05463	48.5
92.05798	7.5
93.07046	57.9
95.04977	14.0
95.08609	55.5
98.21415	12.2
99.08093	10.2
105.07037	58.3
107.08611	74.1
109.06552	18.1
109.10155	47.4
111.08117	9.1
117.06985	19.5
118.06920	7.1
119.08607	73.1
121.06556	17.7
121.10172	52.2
123.08047	14.3
123.11755	19.2
129.07036	19.2
131.08557	39.5
133.06561	14.5
133.10149	81.4
135.08093	14.6
135.11696	39.8
137.05986	9.4
137.09587	18.4
137.43718	7.3
139.07582	11.0
142.07776	8.6
143.08585	31.9
145.06467	13.5
145.10123	57.2
147.08076	31.0
147.11703	29.0
149.13252	18.5
151.11153	10.4
155.08556	17.8
156.09364	13.8
157.10132	48.6
159.11711	70.6
161.09624	19.9
161.13248	13.8
163.11169	9.0
169.10185	22.7
171.11725	34.8
173.09680	20.1
173.13251	28.5
175.11133	12.5
175.14870	19.8
177.12799	19.4
177.16385	9.2
179.07043	10.0
181.10127	19.0
183.11726	25.9
185.09650	17.4
185.13284	32.1
187.11263	15.4
187.14818	26.9
189.16435	8.7
191.14345	13.9
195.11757	10.4
195.13828	16.0
197.09686	8.2
197.13257	28.6
199.14914	15.5
201.12657	17.9
201.16420	13.1
203.14314	15.9
205.15880	18.3
209.13300	12.7
211.11316	7.5
211.14880	14.1
213.16412	9.7
215.14249	17.0
215.17957	13.9
221.13251	11.1
223.14868	18.7
225.16501	19.2
233.15361	11.9
235.14757	12.0
237.16272	14.4
239.17772	8.8
243.17378	9.2
247.15047	9.9
249.16338	9.3
253.19530	11.6
271.17041	15.3
279.15884	20.4
282.32913	8.0
307.19046	13.0
317.22681	9.2
365.21045	22.7
383.21976	21.1
391.30106	23.3
401.23328	8.8
401.28461	26.1
407.29489	9.6
409.31082	13.4
419.29431	74.2
435.28992	11.6
437.30536	87.7
441.29401	14.1
447.29056	41.5
453.30060	19.1
455.31509	57.4
457.29236	12.6
465.01959	8.2
465.30139	100.0
473.32462	21.8
483.31024	93.8
501.32257	66.8
519.33472	37.4
537.29169	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48967	4.5
55.90401	4.6
69.03419	9.0
70.64825	15.2
77.57928	4.6
79.05485	7.2
81.03427	5.7
83.35261	4.8
85.02905	15.4
91.05488	12.1
95.04964	21.2
95.08637	5.3
100.21555	4.5
101.69229	5.1
103.05482	10.4
104.31597	4.8
105.07032	11.2
107.04959	44.5
111.04394	6.4
115.05466	11.6
117.07061	8.1
119.04996	7.9
119.08603	4.6
121.06499	13.6
123.04427	5.6
129.07022	7.3
131.04938	15.0
135.08049	13.7
137.05968	49.9
147.04475	7.9
149.05917	7.0
151.07549	14.2
161.06068	8.4
163.03905	4.9
163.07561	37.1
167.07018	74.8
175.07559	11.1
177.05510	10.0
181.07115	8.4
181.08606	100.0
187.07501	11.2
189.09016	6.1
191.07066	7.3
195.10143	26.7
199.07611	5.9
205.08623	9.0
207.10141	9.8
213.11256	65.2
215.06868	5.1
217.08665	11.6
225.11203	9.4
228.19966	4.7
229.08633	7.4
231.10185	6.1
237.11227	9.3
259.42532	5.1
277.08279	4.5
287.05463	7.1
288.05811	9.1
289.06146	15.3
307.11801	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	537.2704
Annotation	Paniculatumoside B
Peak:m/z	Relative Intensity
53.03959	2.3
54.25573	2.1
55.01894	3.0
55.05521	4.5
65.03963	2.1
65.39170	2.2
67.05518	4.3
69.03433	5.2
69.07078	3.7
69.43698	11.7
69.44101	4.9
79.05502	4.2
81.03427	5.1
81.07063	5.6
85.02907	2.9
89.03955	5.5
91.05470	10.9
93.07040	4.4
95.04989	2.8
95.08629	6.2
98.21532	4.6
99.08098	3.6
103.05482	21.4
105.07043	7.0
105.93660	2.3
107.04967	4.6
107.08618	9.2
109.06564	3.9
109.10165	3.5
111.04453	2.4
115.05421	2.7
117.03442	5.2
119.04926	4.5
119.08517	3.1
121.06472	3.2
121.10163	13.8
122.03685	5.6
123.04385	3.1
125.09618	5.1
127.03909	2.3
129.06995	2.2
131.04948	41.9
131.08607	2.3
132.72456	2.2
133.06470	3.6
133.10129	4.5
135.04417	12.8
135.11716	2.6
137.05997	58.8
145.02864	13.5
145.10156	3.8
147.04408	8.0
149.13283	3.6
151.03943	2.4
151.07587	4.4
153.05511	2.8
159.08128	2.9
159.11758	2.7
161.06003	12.8
163.03932	100.0
163.07558	16.9
165.05528	2.4
167.07080	12.5
173.13319	2.4
175.07594	6.1
177.05539	5.2
177.16423	13.5
179.07028	4.0
181.04984	6.4
187.07602	3.1
189.09131	3.3
191.07030	3.5
199.07561	3.3
211.07562	2.7
213.18507	4.9
241.08621	3.0
249.09172	3.5
259.07376	2.5
261.09012	2.9
265.08456	2.7
271.83032	3.1
279.06708	2.8
280.07263	2.5
295.09674	2.8
309.11023	3.2
321.11261	3.1
325.09265	4.6
327.12384	3.3
335.12738	3.8
339.12286	4.5
347.13229	2.5
357.13474	2.9
365.13742	7.0
375.21790	3.2
395.14932	4.9
411.53506	2.7
448.15112	15.2
501.19315	5.0
519.20435	4.3
537.13452	3.6
537.27094	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18494	2.5
53.03948	3.5
55.01868	3.3
55.05512	4.9
67.05516	3.5
69.07075	6.0
69.59287	18.0
79.05489	5.8
81.03426	6.6
81.07063	9.2
89.03921	5.2
91.05474	17.1
93.07037	5.9
95.04967	6.0
95.08614	4.7
97.06522	3.7
97.10100	2.6
103.05475	29.8
105.07047	8.3
107.04991	7.7
107.08608	6.4
109.02895	3.5
109.06547	4.1
109.10179	5.1
115.05487	5.8
115.09857	2.5
117.03399	8.2
117.07011	4.1
119.04945	18.0
119.08597	7.9
121.06529	6.3
121.10177	4.6
122.03666	8.5
123.04422	5.3
125.05965	3.9
128.06230	3.6
129.06963	4.3
131.04939	61.8
133.02847	4.5
133.06509	4.6
133.10167	4.8
135.04443	14.8
137.05991	100.0
145.02867	10.8
145.06503	4.5
147.04428	24.7
147.11667	5.5
147.68190	2.9
149.06039	5.3
151.03915	7.3
151.07558	9.8
157.06490	4.4
159.08069	4.3
159.11783	3.5
160.05130	3.1
161.06012	25.1
163.03928	90.4
163.07564	18.9
167.07053	18.2
171.08167	3.4
174.06798	2.8
174.09038	3.2
175.03928	3.3
175.07594	10.8
177.05473	9.8
177.16383	4.9
179.07062	3.2
181.05048	5.4
181.06592	3.7
184.05203	5.7
187.07567	6.3
189.09123	4.9
191.07028	5.5
195.08072	3.1
197.19041	2.4
199.07529	6.2
199.39894	2.6
205.08511	4.0
207.06538	6.4
207.10207	4.5
209.08080	6.4
211.07587	7.8
213.09242	3.3
229.08794	3.7
231.08127	3.3
235.07532	5.3
241.08708	5.7
245.09760	2.7
247.07782	2.9
248.08319	2.7
249.09123	4.7
251.07100	5.7
253.08643	3.5
261.09201	4.2
263.07178	3.8
264.07764	4.2
265.08545	3.8
277.08585	3.7
279.06641	3.2
279.10233	3.2
283.09634	4.5
291.10144	4.8
294.08914	5.6
295.09805	6.3
297.11221	5.4
307.09619	6.0
309.11136	5.0
313.11011	3.2
315.09979	5.8
321.11075	6.6
323.13004	4.6
325.09570	4.1
331.09671	3.3
335.12674	6.0
339.12488	4.6
347.12802	12.2
365.13904	16.9
377.13980	5.8
395.15137	7.7
418.14172	3.2
429.13251	4.4
448.15161	34.2
449.16159	6.0
461.15747	3.7
469.16464	4.3
473.32559	3.4
489.18774	4.0
501.18814	11.6
519.20013	14.8
537.21533	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	537.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
55.05503	3.4
55.12667	2.2
67.05510	2.6
69.32300	8.2
69.32727	11.5
79.05497	5.9
81.03446	2.6
81.07059	5.8
89.03971	2.5
91.05490	11.3
93.03407	2.0
93.07050	3.1
94.04172	7.4
95.08627	3.7
99.04430	2.5
102.47929	2.2
103.05471	7.1
105.07046	4.5
107.04967	6.0
107.08630	2.9
108.00066	2.1
109.06564	3.6
109.10159	2.6
115.05460	3.5
117.07021	2.8
119.04945	7.7
121.10145	5.0
121.48201	2.1
122.03651	6.9
127.03839	2.3
129.07033	5.7
131.04976	6.7
131.08600	3.2
132.75244	2.1
133.02899	3.6
133.06523	3.4
133.10139	2.3
135.04385	3.1
135.08002	2.2
137.05984	100.0
144.05768	2.5
145.02838	4.1
145.10147	2.9
147.04411	7.7
147.08133	2.4
147.11868	2.2
148.46596	2.4
149.06020	4.2
151.03886	4.1
151.07584	9.4
155.08688	2.5
157.06512	2.3
159.08023	3.7
160.05124	3.2
161.05992	13.4
163.03877	10.4
163.07585	6.4
165.05478	3.7
167.07086	16.0
171.08113	2.4
173.13200	3.3
175.04027	2.8
175.07506	6.2
177.05537	4.7
177.09099	4.4
179.07063	4.3
181.05003	2.9
181.08713	2.4
185.09604	3.1
187.07590	11.7
189.09076	3.9
191.06996	8.2
191.08557	2.7
198.06804	2.4
199.07596	7.3
201.09122	2.5
209.08139	4.1
211.07552	5.4
213.09100	3.3
215.06857	2.6
217.08614	2.9
227.06985	2.8
229.08554	3.1
235.09753	4.5
239.11032	2.5
241.08586	6.2
247.07605	3.5
249.09233	3.5
251.07063	2.9
253.08698	3.3
261.09061	4.2
264.07813	3.3
265.08588	3.5
270.08936	4.6
271.07495	2.9
275.10629	2.6
277.08682	6.4
278.09396	4.2
279.06705	2.5
287.10403	3.4
289.08813	3.5
291.10315	3.4
292.07538	2.6
294.08795	6.1
295.09732	5.4
307.09644	4.9
309.11270	4.5
315.09970	2.7
320.10706	3.1
321.11139	7.2
323.12772	2.9
327.12073	3.0
335.12784	7.3
339.12253	10.2
341.13641	5.4
347.12808	10.2
353.13983	3.0
365.13739	19.0
371.15137	2.3
375.21463	6.8
377.14001	3.7
387.12372	2.6
395.14764	10.0
409.47629	2.6
415.12006	3.3
429.13397	3.5
448.15265	27.1
449.15619	6.4
461.16049	3.2
489.18924	6.0
494.48849	2.6
501.19049	10.3
519.20148	10.0
537.20435	4.6
537.27161	6.9
537.34241	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	537.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72300	0.8
53.03922	1.4
55.01876	1.6
57.03428	1.3
65.03945	2.1
67.05504	1.9
69.03417	2.5
71.49755	1.2
76.06808	1.0
79.05488	2.0
81.03429	11.2
81.07064	1.3
85.02917	6.0
91.05486	1.8
93.03403	1.0
94.04189	1.8
97.02882	3.5
103.05480	1.5
107.04984	1.5
108.02106	2.3
109.02833	1.2
109.06532	2.7
111.04436	1.7
115.05470	2.9
117.06980	1.5
119.04922	1.4
122.03676	2.7
123.04448	1.2
125.05988	2.2
127.03898	1.0
128.06213	2.3
129.07030	9.7
131.04951	2.7
137.05994	67.2
143.04935	4.8
145.06503	1.3
147.04472	1.3
147.08049	1.9
148.03944	2.6
151.03925	100.0
151.05034	6.7
153.01843	2.3
153.05417	3.4
157.06509	14.3
159.04419	0.9
160.05203	2.2
161.05989	3.2
161.09653	1.2
163.03944	3.5
163.07497	1.1
165.05490	3.4
166.08571	1.0
167.07109	0.9
171.04410	4.9
174.06810	1.6
175.07564	6.1
177.05424	1.4
179.07146	1.2
187.07605	2.3
188.04709	1.1
189.09102	12.8
191.07080	8.2
203.07050	39.7
204.06549	1.8
205.08588	9.4
207.08070	1.8
215.07025	3.2
219.08067	2.8
221.08084	7.3
233.08104	11.9
235.07532	1.0
243.06534	1.9
247.07602	2.0
249.09189	1.3
261.09174	1.9
263.07065	1.7
276.07816	1.1
277.08536	1.6
278.09232	1.0
279.10153	3.3
285.07684	1.8
286.08459	5.1
287.05554	5.0
288.05850	3.9
289.05942	5.2
295.09717	2.0
301.11960	2.6
303.04968	8.3
307.09821	4.7
311.12732	2.8
321.11185	4.2
327.12231	11.9
339.12311	11.5
343.12698	1.1
345.13312	3.1
357.13376	30.0
375.14392	16.9
495.02750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.197
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
51.72300	0.8
53.03922	1.4
55.01876	1.6
57.03428	1.3
65.03945	2.1
67.05504	1.9
69.03417	2.5
71.49755	1.2
76.06808	1.0
79.05488	2.0
81.03429	11.2
81.07064	1.3
85.02917	6.0
91.05486	1.8
93.03403	1.0
94.04189	1.8
97.02882	3.5
103.05480	1.5
107.04984	1.5
108.02106	2.3
109.02833	1.2
109.06532	2.7
111.04436	1.7
115.05470	2.9
117.06980	1.5
119.04922	1.4
122.03676	2.7
123.04448	1.2
125.05988	2.2
127.03898	1.0
128.06213	2.3
129.07030	9.7
131.04951	2.7
137.05994	67.2
143.04935	4.8
145.06503	1.3
147.04472	1.3
147.08049	1.9
148.03944	2.6
151.03925	100.0
151.05034	6.7
153.01843	2.3
153.05417	3.4
157.06509	14.3
159.04419	0.9
160.05203	2.2
161.05989	3.2
161.09653	1.2
163.03944	3.5
163.07497	1.1
165.05490	3.4
166.08571	1.0
167.07109	0.9
171.04410	4.9
174.06810	1.6
175.07564	6.1
177.05424	1.4
179.07146	1.2
187.07605	2.3
188.04709	1.1
189.09102	12.8
191.07080	8.2
203.07050	39.7
204.06549	1.8
205.08588	9.4
207.08070	1.8
215.07025	3.2
219.08067	2.8
221.08084	7.3
233.08104	11.9
235.07532	1.0
243.06534	1.9
247.07602	2.0
249.09189	1.3
261.09174	1.9
263.07065	1.7
276.07816	1.1
277.08536	1.6
278.09232	1.0
279.10153	3.3
285.07684	1.8
286.08459	5.1
287.05554	5.0
288.05850	3.9
289.05942	5.2
295.09717	2.0
301.11960	2.6
303.04968	8.3
307.09821	4.7
311.12732	2.8
321.11185	4.2
327.12231	11.9
339.12311	11.5
343.12698	1.1
345.13312	3.1
357.13376	30.0
375.14392	16.9
495.02750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1967
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
53.03944	1.9
55.01857	4.8
57.03418	1.5
61.02929	2.1
65.03925	2.3
69.03432	7.3
69.69292	6.8
71.04997	2.8
74.02097	1.3
77.10598	1.3
79.05486	3.1
81.03419	10.3
81.07074	1.6
83.04954	1.7
85.02909	12.4
86.34185	1.2
91.05470	3.8
93.03384	2.5
93.07052	2.0
95.04953	1.8
97.02895	4.1
98.21502	2.6
103.05455	5.3
105.07027	1.8
107.04965	3.0
108.02121	2.2
109.02872	3.2
109.06485	2.9
111.04477	2.4
115.05455	3.5
117.07020	2.2
119.04955	3.5
119.08600	1.5
122.03649	5.8
125.06027	1.7
127.03969	2.1
128.06207	4.0
129.07021	14.2
131.04950	9.0
131.08597	1.4
133.02782	2.5
137.05983	95.3
141.05481	1.9
143.04909	4.1
145.06451	3.0
147.04419	3.9
147.08060	3.0
149.05971	2.8
151.03914	100.0
151.05022	7.7
151.07552	3.3
153.05458	4.1
157.06505	13.2
160.05171	2.4
161.05984	7.5
161.09644	1.5
163.03879	6.8
163.07555	5.9
165.05519	4.1
167.07045	5.1
171.04373	4.1
174.06706	4.2
175.07585	7.8
176.04652	2.1
177.05487	2.2
179.07002	5.1
181.08592	1.5
187.07529	5.9
189.09132	17.9
191.07072	7.7
199.07610	3.2
203.07040	32.9
203.08800	2.7
205.08607	9.9
215.07014	4.0
217.08636	2.5
219.08101	3.3
221.08073	9.3
233.08083	14.8
246.06778	1.4
247.07545	3.2
251.06953	1.7
255.21465	1.4
261.09128	2.5
265.08478	1.9
274.06424	1.4
275.07080	1.6
275.10422	1.5
277.08798	3.0
279.10156	3.4
281.07980	1.7
286.08353	4.1
287.05664	2.7
289.05902	2.0
291.10196	2.5
295.09546	2.8
306.08545	1.6
307.09619	7.0
308.10544	2.0
309.11380	2.9
311.12747	3.4
315.10022	2.7
320.10489	2.1
321.11121	5.4
323.12756	2.0
327.12326	10.0
332.10498	2.0
333.11258	1.7
335.12766	2.4
339.12286	15.7
345.13510	2.0
347.12796	4.0
357.08942	2.3
357.13327	31.7
359.14771	1.9
365.13852	7.7
375.14401	8.5
519.20087	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	536.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47293	2.2
53.03969	2.0
55.01875	2.7
55.05508	10.8
67.05522	13.0
69.03412	2.3
69.07069	11.0
69.61302	7.4
69.61732	10.1
72.15071	2.1
73.04758	4.6
79.05501	11.4
81.03405	2.7
81.07056	25.2
83.04990	4.0
83.08617	7.3
84.39364	3.1
91.05444	12.3
92.48782	2.3
93.07057	22.9
95.08619	30.6
95.36527	2.2
95.83091	2.6
97.06522	4.9
98.21514	3.3
99.08096	43.1
99.08698	3.8
105.07024	23.3
107.08595	36.0
109.06545	5.8
109.10167	30.5
111.08086	5.9
112.09770	2.4
117.07043	7.4
119.08595	31.1
121.06506	6.0
121.10144	35.0
123.08074	8.0
123.11728	12.2
127.07533	4.2
129.06987	4.6
131.08578	22.2
133.06589	2.9
133.10150	37.4
135.08070	8.6
135.11713	16.8
137.09634	6.8
141.91528	2.0
142.08015	2.5
143.08574	8.6
145.06512	6.9
145.10124	28.9
147.08081	7.4
147.11678	17.8
148.12065	2.5
149.09625	8.2
149.13310	8.5
151.11197	8.1
155.08537	2.3
157.10135	14.4
159.08052	3.7
159.11702	19.5
161.09654	7.0
161.13269	10.5
163.11211	4.5
163.14842	8.0
167.05609	3.0
169.10173	5.6
171.08022	4.4
171.11696	13.0
173.09689	5.3
173.13277	21.2
175.11179	4.9
175.14848	11.1
177.12752	5.4
177.16418	8.9
181.10115	3.4
183.11723	9.0
185.09674	17.2
185.13248	10.7
187.11206	6.2
187.14824	33.9
189.12851	5.5
191.14352	3.7
192.09311	2.4
195.11758	4.7
197.09702	5.6
197.13148	3.7
199.11227	5.6
199.14886	3.3
201.12724	6.8
203.14325	8.6
205.15894	29.5
209.13214	2.5
211.11255	4.1
211.14772	3.5
213.12746	5.4
213.16367	2.6
217.12268	22.5
219.13844	4.1
223.15045	3.7
223.16895	13.8
225.16396	5.1
231.13702	3.5
233.13359	3.1
237.16414	3.0
241.15881	3.3
243.17406	6.0
248.75177	2.6
255.17581	3.3
257.15463	4.6
257.19031	2.5
267.17297	5.8
269.19092	5.6
271.16943	3.1
277.14468	5.8
281.19098	3.6
283.16968	6.6
285.18448	4.9
287.05548	7.6
288.05826	10.8
299.06174	8.8
299.19992	3.1
315.23181	3.7
323.20303	2.6
377.28601	5.2
383.26184	4.8
395.29572	4.7
401.28223	11.4
419.29385	19.5
437.30576	100.0
447.28885	3.7
455.25452	3.3
455.31674	64.2
457.33203	3.8
465.29990	7.6
483.31293	19.4
501.32205	40.1
519.33331	22.7
536.35333	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	536.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
56.05040	0.9
56.87658	0.7
58.06617	1.3
59.99495	0.7
60.08168	19.6
67.05514	4.2
69.02868	0.6
69.07070	1.5
71.07391	6.3
71.08383	1.7
71.09892	0.9
73.17809	0.8
79.05487	2.5
79.21618	0.7
81.07056	4.6
86.09711	55.3
91.05473	1.3
93.07043	4.1
95.08604	2.8
98.98466	3.5
103.10336	0.7
104.10749	100.0
105.07054	3.9
105.11121	1.2
107.08607	2.6
109.10150	1.3
117.07020	1.0
119.08569	4.1
121.10169	2.5
123.11686	0.8
125.00014	28.4
127.58579	0.9
131.08620	1.8
133.10135	2.8
135.11723	1.3
143.08549	1.1
145.10141	2.3
147.11769	1.1
149.13174	1.0
165.74940	0.7
167.05559	1.2
171.11682	0.8
173.13290	1.1
175.14844	1.0
184.07352	97.5
185.07675	2.2
185.13400	0.8
187.14888	1.9
191.14325	2.3
196.59866	0.7
239.09225	1.0
244.30321	0.7
266.99927	1.0
273.79694	0.9
287.05438	1.2
288.05951	2.7
299.06201	2.9
415.04239	0.9
455.31677	2.3
483.31415	1.4
500.31339	7.4
518.32434	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53763	1.7
55.05507	3.9
57.07079	3.5
60.08153	3.7
61.62667	1.8
67.05506	7.0
69.07101	4.1
69.40270	6.8
69.40691	6.6
79.05489	5.8
79.29711	1.7
81.07084	11.3
83.04977	3.8
83.08620	4.1
86.09732	12.7
91.05444	10.7
93.07031	10.7
95.08636	10.7
97.67970	1.6
98.21500	4.0
99.08099	24.5
104.10763	15.3
105.07038	35.0
106.46876	1.6
107.08595	15.1
109.06525	2.2
109.10169	17.9
115.84653	2.2
117.07036	6.0
119.08591	51.4
121.06468	2.7
121.10160	15.1
123.11695	4.6
125.00000	5.6
128.06189	1.9
129.07019	2.5
131.08583	21.5
133.06503	3.4
133.10153	35.6
135.08078	5.7
135.11752	10.8
135.12604	1.7
137.09656	2.6
143.08591	7.9
145.10132	41.5
147.08038	3.9
147.11731	11.6
149.04456	2.0
149.09666	2.7
149.13210	1.9
151.11206	3.7
155.08595	2.9
157.10158	12.2
159.11711	17.4
161.09642	9.9
161.13243	5.2
163.07599	3.0
163.11174	2.5
165.34904	2.0
167.05562	2.5
169.10106	9.1
171.11717	11.6
173.13281	24.5
175.11133	3.0
175.14853	4.8
183.11711	5.2
184.07368	22.7
185.13290	9.7
187.14832	100.0
188.15285	1.9
189.16429	6.4
191.14355	5.9
195.11728	2.3
197.13248	3.6
199.11182	2.6
199.14987	3.3
201.12781	2.3
203.14316	7.4
205.15898	24.7
209.13365	3.1
211.14853	7.8
213.12801	2.9
213.16397	3.0
215.14423	4.7
215.77512	2.0
217.12241	2.3
219.13892	3.9
221.13319	2.8
225.16399	2.9
227.14322	3.2
229.15807	3.1
231.13892	2.2
233.15477	7.9
237.16451	2.5
243.17583	2.8
251.16360	19.7
279.19574	7.1
287.05591	4.2
288.05780	4.0
299.06158	5.5
365.24893	2.8
391.29974	3.7
401.28323	5.0
419.29489	12.2
437.30661	14.5
443.31714	3.3
447.29138	2.1
455.31519	7.6
457.33344	2.5
465.30038	6.4
473.32538	4.4
483.30997	7.1
500.31683	2.1
501.31931	8.9
518.32501	5.4
519.32532	2.8
536.36011	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	535.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91478	2.9
55.05521	6.6
61.54410	2.4
67.05519	6.5
69.03437	5.6
69.07072	5.7
69.15067	22.6
69.15491	5.8
79.05511	5.3
81.03427	4.8
81.07055	12.3
85.02927	5.3
91.05487	11.9
93.07057	11.1
95.04990	6.3
95.08616	11.3
97.02880	3.6
98.20815	7.1
99.08086	10.1
105.07059	12.9
107.04962	2.7
107.08592	19.8
109.10147	7.5
112.33511	2.4
117.06997	3.9
119.08598	19.0
121.10144	12.0
127.03956	6.2
129.06941	3.0
131.08594	11.6
133.10143	12.0
135.08061	4.0
135.11687	8.3
137.05991	4.2
137.09619	3.8
143.08588	4.6
145.06519	2.8
145.10149	8.3
146.63165	3.0
147.08073	4.3
147.11734	7.1
149.09634	3.6
151.03947	2.7
151.11195	2.8
154.07848	2.6
155.08586	3.6
157.10135	9.0
159.08102	4.1
159.11734	8.0
161.09648	3.2
163.11237	4.0
169.10152	6.2
171.11761	6.1
173.09601	2.6
173.13290	9.7
175.14839	7.2
181.10124	4.0
184.07402	8.4
185.13313	5.2
187.11165	3.1
187.14789	7.0
189.12729	3.2
191.14334	3.1
195.11880	3.5
197.13333	5.7
203.14275	3.3
205.15892	3.2
207.11777	3.2
209.13248	3.0
220.12425	2.8
221.13216	4.6
241.15919	5.2
287.05496	100.0
288.06039	3.8
308.86633	2.8
334.48120	2.6
389.28253	4.7
411.28674	3.8
429.30154	5.8
435.29343	3.1
453.29993	5.1
471.30936	4.1
473.28720	3.9
481.29501	7.0
491.29956	4.7
499.30460	10.3
517.31519	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	535.2882
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05509	0.8
57.03428	1.1
67.05500	2.1
69.03419	0.8
69.07066	1.1
69.56761	4.7
79.05499	1.9
81.03413	2.0
81.07057	2.1
83.08584	0.8
85.02899	1.6
86.09693	0.9
89.36659	0.6
91.05482	2.7
93.07048	2.0
95.04946	0.8
95.08606	1.5
98.21449	1.2
104.10790	0.9
105.07040	1.8
107.08608	1.8
109.10165	0.8
111.08067	0.8
119.08585	2.7
121.10139	1.8
123.11757	0.7
125.00005	0.9
129.06985	0.7
131.08598	0.9
133.10159	1.1
135.11726	0.9
137.06009	0.7
138.51649	0.6
145.10153	0.9
147.11685	1.5
157.10159	0.8
159.11708	0.7
161.13263	0.7
173.11163	0.7
173.13257	0.7
180.10254	0.6
181.10271	0.6
184.07315	3.5
185.07706	1.1
205.15755	0.6
251.12578	9.0
287.05496	11.0
305.84766	0.6
307.15176	7.4
455.33231	0.9
499.30591	1.2
517.31689	0.7
535.28784	100.0
536.29181	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39119	0.6
53.03942	1.9
55.01871	2.2
55.05500	0.6
57.03440	1.3
61.02938	1.1
65.03947	1.0
66.04737	0.6
67.05510	0.7
68.99809	1.4
69.03432	9.8
71.49133	0.7
73.02902	1.7
78.04688	0.7
79.05502	2.3
81.03424	11.9
81.07030	0.8
85.02909	14.3
87.00843	4.2
91.03978	0.6
91.05486	12.2
93.07046	1.5
94.04190	2.5
95.04980	1.5
97.02892	4.9
99.04451	2.8
103.05469	2.8
105.01857	2.1
105.07031	2.7
107.04959	13.2
109.02884	9.1
109.06513	1.0
115.05472	1.4
117.01859	1.1
117.07027	1.8
119.04945	9.2
120.05758	0.8
121.02923	3.1
121.06506	3.2
122.03665	3.6
123.04449	1.5
124.05173	0.7
125.05982	0.6
127.03928	11.0
129.01843	0.6
129.07016	0.8
131.03421	1.4
131.04922	2.1
133.06499	1.6
135.08047	2.4
136.05171	1.3
137.05986	87.0
138.14764	0.6
141.07010	1.2
143.04913	0.6
145.04961	2.6
145.06511	0.8
147.02916	0.7
147.04440	5.7
147.08041	0.8
149.06024	1.6
149.09618	0.8
151.03946	1.7
151.07552	54.4
152.04779	0.7
153.01834	3.2
157.06544	0.7
159.02911	3.5
159.08003	0.8
161.05977	3.9
163.07559	8.7
164.04692	1.8
165.01869	2.4
165.09120	0.8
167.07053	15.1
167.08488	1.3
169.24635	0.6
175.07593	2.2
177.05432	1.5
177.09085	1.0
179.07043	50.4
180.07703	0.7
181.08609	23.0
185.05919	0.9
187.07607	1.5
191.07013	1.9
193.08607	2.6
195.06549	0.8
195.10170	4.7
201.09207	0.6
203.07069	1.0
205.08617	1.7
207.10095	2.9
209.11806	0.8
211.09595	0.9
213.05516	1.7
213.11252	2.6
215.07077	0.9
217.08554	1.2
221.08003	1.2
223.09715	3.2
225.11296	2.6
233.08131	0.9
237.11214	0.7
241.04994	1.3
258.05121	0.9
279.12250	0.9
287.05515	100.0
288.05823	2.2
303.12286	1.2
321.13159	1.0
323.11438	0.9
373.16620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01874	1.2
65.03946	1.0
66.41611	0.8
69.03418	4.8
69.16582	8.1
69.16979	1.5
69.17156	0.8
72.11977	0.7
78.04725	0.8
79.05499	2.9
81.03423	6.7
81.07059	1.0
85.02909	6.1
91.05491	15.2
93.07055	1.2
94.04173	1.9
95.04967	3.1
97.02888	1.9
100.33962	0.8
103.05464	3.6
105.07024	4.4
107.04961	15.9
107.08554	0.9
109.02883	3.6
115.05479	2.5
117.07047	1.0
119.04955	10.9
119.08572	0.9
120.05727	0.7
121.06534	3.7
122.03623	5.6
123.04425	1.9
123.39764	0.8
124.05186	1.1
127.03937	6.2
129.06956	0.8
131.03445	1.9
131.04930	2.7
133.06499	1.9
134.03671	0.8
135.08052	3.7
136.05243	2.4
137.05984	100.0
144.05750	1.0
145.06467	1.4
147.04437	4.7
147.08011	1.8
149.05977	2.0
151.03978	2.0
151.07553	70.3
157.06412	1.6
161.05991	3.2
163.07542	10.7
164.04721	2.4
166.06221	1.2
167.07042	19.7
175.07507	2.2
177.05490	1.1
179.07043	60.8
180.07510	1.1
181.05161	0.9
181.08612	30.1
185.06102	0.9
187.07541	3.0
189.09145	1.2
191.06998	2.6
193.08603	4.6
195.10242	6.0
199.07515	1.0
201.09149	0.9
203.07048	1.7
205.08577	1.9
207.10210	3.2
209.08040	1.3
211.09749	1.0
213.05618	0.9
213.11147	4.3
219.10135	1.6
221.08046	1.0
223.09723	4.2
225.11206	4.0
239.78232	0.7
257.07922	0.8
277.10977	1.1
287.05533	21.0
287.08813	1.1
303.12250	1.6
309.11304	0.9
321.13400	1.3
406.20197	0.9
435.04840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1089
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03948	0.2
55.01857	0.3
61.02915	0.1
61.88355	0.1
65.03936	0.2
68.99783	0.8
69.03420	0.4
73.02909	0.1
79.05494	0.2
81.03428	0.6
85.02907	0.8
87.00814	0.2
91.05460	0.2
95.04996	0.1
97.02879	0.4
98.20795	0.2
99.04454	0.2
99.27336	0.1
101.34818	0.1
103.05495	0.1
105.01909	0.1
105.03378	0.3
107.04939	0.4
109.02891	0.8
109.14645	0.1
111.00816	0.7
111.04449	0.1
115.05522	0.1
117.07043	0.1
119.04907	0.1
121.02871	3.5
127.03914	1.3
128.25217	0.1
129.07019	0.2
131.04924	0.3
133.02888	0.6
135.04457	0.2
137.02356	1.3
137.05991	1.5
141.06972	0.1
145.02907	0.1
145.04984	0.2
145.06497	0.3
147.04396	0.7
151.03932	0.6
153.01839	4.1
153.05417	0.1
157.06480	0.4
159.02939	0.3
160.05289	0.1
161.05992	0.2
163.03934	0.1
163.07436	0.2
165.01857	2.0
167.07100	0.2
171.04390	0.3
175.04047	0.1
177.05502	0.4
179.07033	0.4
181.04956	0.3
183.02893	0.8
185.05984	0.7
189.05548	0.2
197.06056	0.1
201.05441	0.2
203.03482	0.2
203.07030	0.2
213.03764	0.1
213.05505	1.5
217.54749	0.1
219.06543	0.2
231.06641	0.7
238.31345	0.1
241.04936	1.1
251.09204	0.2
258.05286	1.1
259.06070	0.4
269.04379	0.2
287.05505	100.0
288.05850	1.3
329.06485	0.2
373.12775	0.6
403.13660	0.2
436.08600	0.1
449.10910	0.8
535.10675	1.4
535.18396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68903	0.3
52.73077	0.3
53.03934	1.2
55.01857	0.9
57.03427	0.4
61.02927	0.7
68.99802	0.7
69.03432	6.0
69.24179	1.8
69.24612	1.4
71.04985	1.1
73.02895	0.7
81.03426	5.6
85.02913	7.4
87.00839	3.2
87.04507	0.4
97.02898	8.5
98.13824	0.3
98.73277	0.4
99.04477	2.1
105.01855	1.2
107.04971	0.5
109.02888	3.6
111.00798	0.4
117.01885	0.4
121.02876	3.0
127.03922	5.2
133.02864	0.7
135.04446	0.4
137.02344	0.9
137.05997	0.9
142.30548	0.3
145.04971	4.0
147.04388	1.1
153.01852	3.7
157.06502	0.4
159.02898	1.9
163.03915	0.4
165.01837	2.2
167.07043	0.6
176.52449	0.4
177.05447	0.5
183.02924	0.5
203.07028	0.7
206.04453	0.5
213.05530	1.5
231.04796	0.6
241.05016	0.8
258.05164	0.9
259.05704	0.4
287.05521	100.0
288.05875	1.1
400.04929	0.3
535.19507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1087
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.31909	0.2
68.99776	0.4
69.52520	0.2
71.28973	0.3
81.03407	0.2
82.67663	0.2
109.02893	0.3
115.05447	0.3
121.02853	0.5
137.02373	2.1
137.03375	0.3
137.05968	0.4
143.04926	0.3
147.04402	0.3
149.02325	0.5
151.03920	0.6
153.01813	0.3
153.14069	0.2
157.06499	0.3
158.02538	0.2
161.05997	0.3
165.01842	0.4
171.04431	0.2
175.03926	0.3
177.05461	0.2
185.05959	0.8
189.05421	0.4
212.53439	0.2
213.05476	2.0
231.06580	0.8
241.04999	1.0
242.05779	0.2
259.06183	0.2
266.64484	0.2
269.04465	0.5
287.05515	100.0
288.05811	1.1
373.12845	0.9
535.10840	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	534.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65236	0.3
51.02372	0.5
53.03937	1.2
55.05513	8.8
56.05041	5.7
57.07081	4.1
58.02962	0.3
58.06585	0.9
60.04274	0.3
60.04532	4.2
65.03961	1.3
67.04246	0.8
67.05510	16.5
68.05035	1.6
69.07070	11.6
70.06590	2.4
71.08637	2.8
71.20522	0.6
72.04507	0.4
79.05500	12.5
80.05026	3.4
81.03429	0.5
81.05806	1.8
81.07060	14.6
82.06584	9.9
83.04990	0.4
83.08626	6.0
84.08127	0.9
85.10190	1.0
86.06081	0.4
86.06630	0.3
91.05492	11.5
93.05782	0.7
93.07050	11.5
94.06573	23.3
95.05006	1.5
95.06761	0.4
95.07359	8.6
95.08612	11.3
96.07588	0.4
96.08144	6.3
97.06526	0.6
97.10175	3.9
98.06067	0.5
100.07604	0.4
102.06602	0.2
105.04499	0.5
105.07041	6.6
106.06531	0.5
107.07362	0.7
107.08600	5.9
108.08115	3.9
109.08945	0.4
109.10160	4.1
110.09674	0.6
111.11724	1.3
117.06963	0.5
119.07726	0.3
119.08592	7.2
121.10150	6.9
122.09666	2.9
123.11716	1.8
124.11248	0.6
128.80051	0.3
133.10136	4.6
134.09698	0.5
135.10446	1.0
135.11688	3.7
136.11208	1.1
137.13243	0.8
142.12209	0.3
147.11699	1.6
149.13260	1.4
151.14850	0.6
161.13278	1.0
163.14806	0.4
168.17494	0.4
173.82523	0.3
191.18004	0.6
219.21132	0.6
227.20183	0.3
233.22656	3.9
234.22260	0.6
245.22676	5.2
250.25317	9.2
253.79404	0.3
254.24713	1.3
262.25311	100.0
263.23477	0.6
263.25842	0.6
272.25858	4.8
280.26370	11.3
338.30389	0.4
471.46689	0.3
504.47900	2.0
516.47864	6.2
534.42200	0.5
534.48883	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	535.1086
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.20068	0.1
53.03952	1.8
55.01878	1.7
57.03444	0.9
61.02927	1.1
62.29787	0.1
68.99793	1.3
69.03434	6.1
69.25407	1.3
71.04990	0.8
73.02924	1.3
74.83362	0.1
81.03423	7.2
83.01349	0.2
85.02910	10.7
87.00322	0.3
87.00837	4.8
91.03960	0.5
97.02302	0.3
97.02901	3.7
99.03864	0.2
99.04469	2.3
101.02386	0.1
103.05468	0.2
105.01871	2.3
105.03381	0.4
107.04955	0.4
109.02888	6.1
111.00791	0.6
113.58529	0.1
117.01861	1.0
121.02872	2.3
127.03920	7.6
129.01830	0.7
133.02861	0.5
135.04391	0.1
137.02368	0.8
145.04965	2.7
145.06294	0.2
147.02943	0.6
147.04411	0.6
151.03946	0.1
153.00616	0.2
153.01836	4.0
157.06496	0.4
159.02901	4.4
161.05951	0.2
165.01851	2.0
169.32289	0.1
171.04417	0.3
183.02931	0.9
185.06001	0.5
197.05899	0.2
213.03943	0.3
213.05518	1.4
217.04971	0.2
231.04655	0.9
231.06757	0.4
241.04887	0.8
258.05228	1.2
259.06049	0.5
269.04376	0.3
286.04572	0.2
287.05511	100.0
288.05841	0.8
299.05557	0.2
313.87671	0.1
329.06488	0.3
375.84241	0.2
466.47366	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99139	4.9
53.15591	5.4
55.05512	21.5
57.03438	8.5
57.07071	12.0
60.08165	17.3
67.05181	8.0
67.05511	81.4
69.07078	28.7
71.05012	5.4
71.08637	6.3
79.05495	26.8
81.07060	95.8
83.08614	22.2
86.09709	51.2
91.05480	12.8
93.07058	33.2
95.08608	83.8
97.10177	12.4
104.10744	100.0
105.07030	19.9
107.08586	10.9
109.10164	39.6
119.08578	15.6
121.10153	21.9
123.11713	14.0
125.00020	28.0
133.10153	25.2
135.11674	13.1
137.13208	5.7
141.12726	7.3
147.11699	16.6
147.77153	5.3
149.13275	13.8
161.13277	13.2
163.14815	8.2
165.16434	8.8
173.29211	5.6
175.14746	6.5
181.42461	5.1
184.07356	79.0
199.13255	5.5
245.22650	60.1
245.47328	5.4
263.21048	10.6
263.23660	80.9
287.05542	9.3
337.27319	59.9
435.02148	6.1
534.35565	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	534.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.3
55.05501	7.7
57.03442	12.4
57.07066	4.5
58.67343	4.9
60.08157	12.0
61.54879	4.5
67.05489	19.0
69.03451	23.7
69.07063	17.7
70.94971	9.5
70.95301	4.8
71.07342	5.6
73.02935	24.3
74.09731	10.8
79.05504	13.3
81.07060	100.0
83.08621	6.2
85.02905	40.7
86.09715	31.1
87.04457	14.3
91.05503	13.0
93.07047	38.9
95.08610	41.8
97.02888	31.0
99.08090	11.7
104.10739	45.8
105.07023	19.1
107.08591	31.8
109.02905	5.1
109.10157	33.0
115.03932	39.7
117.07010	5.6
119.08586	24.0
121.10155	69.9
123.11699	14.6
124.99998	19.4
127.03946	10.3
131.08549	10.4
133.04976	45.0
133.10132	15.2
135.11716	13.8
137.13319	6.1
143.08649	5.6
145.04919	16.8
145.10120	18.7
147.11711	6.6
149.13251	19.3
157.10095	7.2
159.11737	7.8
163.14780	6.8
171.11717	9.6
173.13287	10.9
175.11203	7.1
177.16385	6.6
184.07329	82.0
185.13242	9.3
187.14856	31.0
194.10815	4.5
199.11220	6.0
201.12805	5.8
203.14360	8.1
205.15918	15.7
205.19513	14.8
214.57034	4.8
223.06154	5.4
249.14915	8.0
259.08264	7.0
267.79477	4.6
277.08606	4.9
287.05557	33.7
435.29074	9.6
453.30026	7.6
481.29523	8.1
499.30173	8.7
534.32001	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	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
56.05032	1.7
58.06571	1.7
60.08167	18.9
67.05493	1.9
69.03466	0.8
69.07068	1.5
70.70967	0.9
70.71282	1.6
71.07389	6.8
77.43285	0.8
79.05493	3.2
81.07052	2.0
86.09709	53.7
91.05485	2.8
93.07033	3.2
95.08592	2.5
97.06511	1.1
98.98480	4.5
104.10747	100.0
105.07040	2.5
107.08579	3.6
109.10151	2.9
119.08566	2.7
121.10126	1.5
123.11708	0.9
125.00010	28.4
131.08543	1.0
133.10104	3.1
135.11707	0.8
137.13254	1.1
145.10130	1.2
147.11664	1.9
159.11691	1.7
173.13228	0.9
184.07344	96.1
241.02916	0.8
258.11078	1.2
287.05392	4.4
319.26352	2.6
355.28482	1.9
435.28967	1.0
453.30200	1.3
498.29712	8.6
499.30310	1.2
500.01907	0.9
516.30865	36.8
517.31189	1.1
534.33881	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
55.05507	9.0
57.03439	13.9
57.07070	4.0
57.22167	3.6
59.04998	3.2
59.95272	3.2
60.08171	10.9
63.89452	3.0
67.05506	17.4
69.03441	52.1
69.07070	15.8
70.52420	3.5
78.76269	3.5
79.05505	15.8
81.03426	6.6
81.07061	100.0
83.08646	8.9
85.02908	39.6
86.09689	25.4
86.75325	3.6
87.04480	32.9
91.05488	11.8
93.07052	42.8
93.98775	4.1
95.04976	4.7
95.08617	48.9
97.02895	45.0
97.10198	4.5
99.04456	6.8
99.08079	5.6
104.10757	44.2
105.07051	13.0
107.08599	26.7
109.10139	30.8
115.03942	66.0
119.08588	8.9
121.10153	62.4
123.11726	14.8
125.00001	12.4
127.03970	4.6
131.08528	6.1
133.04976	83.3
133.10112	7.4
135.11667	22.1
137.13304	5.2
145.04971	12.7
145.10167	8.0
149.13272	38.1
150.07658	8.3
163.14867	5.3
173.13249	4.9
175.14803	4.1
184.07346	50.9
187.14801	4.2
205.19585	9.0
287.05646	22.0
295.10049	5.0
306.04932	3.5
343.41458	4.0
453.30203	4.9
516.31030	4.3
534.31683	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	533.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	1.0
51.83395	0.9
53.03949	5.8
55.01864	2.7
55.05519	15.6
57.03442	1.5
57.07081	39.8
65.03941	1.7
67.05513	34.2
68.05830	1.1
69.03429	2.6
69.07076	17.1
71.04993	2.7
71.08639	26.4
79.05497	16.5
80.05848	1.2
81.03426	85.7
81.07062	37.5
81.07542	1.9
83.04999	2.7
83.08160	2.0
83.08627	27.6
83.09132	1.5
85.06530	2.1
85.10194	14.2
91.05491	21.0
93.07047	13.6
95.04974	21.6
95.08617	31.5
97.06543	2.8
97.10177	12.0
99.11732	1.3
100.23251	1.0
105.07048	13.9
107.04958	4.6
107.08601	6.7
109.06552	3.6
109.10183	13.6
111.04451	1.1
111.08076	9.1
111.11726	4.4
115.05433	1.1
117.07034	2.8
119.08594	10.0
121.06531	3.0
121.10132	9.0
123.08060	1.1
123.11725	8.0
129.07018	6.7
131.08565	10.4
133.06540	2.6
133.10115	4.7
135.11728	3.4
137.05998	1.4
137.13264	2.5
142.07787	3.8
145.10136	1.2
147.08038	2.7
147.11713	7.1
149.09648	3.8
149.13284	3.9
151.14876	1.1
157.10162	6.9
169.10208	1.1
175.11211	8.5
177.12915	1.1
177.97739	1.0
185.27899	1.3
193.12238	30.3
195.13831	2.1
203.14388	1.0
249.14847	6.4
265.25449	1.5
267.26987	5.1
384.38593	1.0
435.16888	1.1
533.42017	100.0
534.42468	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
54.91856	1.0
56.25908	1.0
57.03435	3.3
61.02924	4.5
69.03431	11.2
71.04998	29.8
71.49515	1.5
73.02934	3.1
73.61137	0.9
81.03415	4.7
81.81088	1.1
83.01320	1.1
85.02914	53.9
85.06545	2.8
86.09711	1.3
90.82513	0.9
91.03967	2.9
94.23520	1.2
95.04961	1.1
96.05334	0.9
97.02898	18.0
98.06087	1.2
99.04472	4.3
103.05472	1.2
109.02882	5.3
113.06033	4.4
123.04447	1.3
127.03931	12.1
127.07561	11.8
128.48785	1.0
131.04973	4.6
131.07053	11.8
144.06578	2.2
145.02762	1.6
145.04979	24.7
145.08611	100.0
147.04442	2.3
156.54018	1.0
163.06039	7.3
163.07579	3.7
173.08131	3.5
177.05527	2.3
183.90845	1.1
191.09160	37.1
241.41740	1.0
335.13538	1.7
436.05746	1.1
449.82071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3842
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.03934	7.7
55.01875	3.6
55.05516	35.1
57.03428	10.1
57.07067	13.5
65.03941	6.8
67.05507	100.0
69.07075	26.1
71.04996	6.4
71.08630	7.1
71.10968	2.9
71.51000	5.6
79.05502	56.6
81.03442	20.4
81.07059	88.8
83.04974	10.2
83.08621	20.8
85.06530	7.4
85.10190	4.4
91.05489	41.3
93.07050	64.3
95.04964	9.4
95.08607	61.2
97.06519	6.6
97.10168	15.3
105.07033	38.1
107.08595	45.7
109.06509	4.6
109.10159	33.7
110.56497	3.1
111.08076	4.9
111.62065	3.0
111.90753	3.2
117.07001	7.9
119.08595	30.8
121.10177	18.8
123.08036	4.8
123.11713	12.5
125.09626	7.7
129.06952	6.3
131.08603	23.0
133.10141	26.8
135.11699	40.4
137.13237	4.7
141.07086	3.7
143.08560	6.4
145.10104	18.1
147.11690	13.5
149.09528	3.7
149.13260	8.9
151.11205	8.2
153.12692	4.0
155.08617	3.2
157.10175	8.9
158.01567	3.7
159.11682	12.4
161.13228	12.5
163.14761	3.7
173.13263	10.3
175.14880	4.3
181.12169	7.9
183.11626	4.8
185.13237	6.1
187.14714	4.4
193.12221	4.1
197.13191	5.0
199.14841	5.2
201.16452	5.8
227.12788	3.9
255.15866	16.8
259.20526	4.5
261.22217	27.1
273.22092	6.0
273.59784	3.2
287.23853	6.0
309.79135	4.2
335.25803	13.1
423.32547	9.0
441.33737	10.9
459.34943	9.9
497.36319	4.1
515.37415	60.2
533.38733	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.3
54.94082	0.9
55.01868	3.7
55.05514	33.7
57.03437	1.3
57.07078	9.7
65.03941	3.0
67.05509	55.3
69.03425	1.7
69.07075	36.1
71.04977	3.2
71.08640	5.2
73.02938	2.3
75.95113	0.8
77.00652	1.0
79.05498	31.9
81.03423	82.5
81.07060	53.7
83.04988	4.4
83.08626	37.8
85.06548	2.2
85.10187	2.7
87.04478	3.6
91.05488	24.6
93.07051	32.9
95.04972	22.0
95.08616	41.1
97.02888	2.0
97.06529	3.6
97.10168	13.3
99.08105	1.9
105.00115	5.7
105.07037	17.8
107.04956	4.2
107.08601	14.7
109.06555	2.5
109.10153	15.0
111.04436	2.1
111.08092	9.1
111.11726	4.1
113.09695	1.1
115.05531	1.1
117.07034	3.5
119.08588	14.2
121.06526	3.6
121.10152	16.7
123.11716	6.5
127.11265	1.2
129.07010	9.4
131.08597	7.7
133.06520	2.1
133.10123	6.6
135.11714	11.7
137.09668	1.5
137.13290	2.2
139.11201	1.7
142.07820	3.3
145.10164	1.7
147.08124	2.1
147.11707	7.6
149.09639	4.6
149.13292	10.2
151.14842	1.6
153.12781	1.4
157.10129	8.2
159.11719	3.0
161.13214	1.3
163.14886	2.0
163.16605	1.0
165.12723	1.2
171.78963	1.3
173.13278	1.4
174.38974	0.9
175.11195	9.6
175.14888	1.1
177.12730	1.4
193.12251	30.7
195.13879	1.8
231.13934	1.2
247.24324	2.8
249.14873	7.3
265.25314	8.8
531.40436	100.0
532.40826	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	531.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
55.01863	2.2
55.05517	29.3
57.03429	1.9
57.07080	9.7
65.03946	2.6
67.05511	51.6
69.03431	1.5
69.07073	35.8
71.04988	2.6
71.08645	4.8
71.21616	1.3
73.02932	1.7
77.03893	0.7
79.05501	27.5
80.79508	0.7
81.03425	86.6
81.07061	49.2
81.07447	0.6
83.04997	4.2
83.08624	37.7
84.39893	0.7
85.06554	1.9
85.10194	2.0
87.04461	3.2
91.04908	1.0
91.05486	23.8
93.07053	25.6
95.04977	24.5
95.05579	1.5
95.08614	37.8
96.08997	0.7
97.02892	2.0
97.06535	4.0
97.10180	13.1
99.08098	1.8
105.00101	5.7
105.04535	0.9
105.07040	14.7
107.04969	6.2
107.08613	13.8
109.06512	2.4
109.10171	15.6
111.04461	1.6
111.08080	7.5
111.11706	4.7
113.09686	1.1
115.05470	2.1
117.07046	1.8
119.08589	11.1
121.06490	3.4
121.10153	18.4
123.08091	1.4
123.11713	6.0
125.09638	1.3
125.13342	1.3
129.07024	10.0
131.08572	8.2
133.06520	2.9
133.10135	4.9
135.08107	0.9
135.11703	10.6
136.12007	0.9
137.09656	1.8
137.13264	2.8
139.11157	0.8
142.07765	2.6
143.08656	0.7
145.10155	1.5
147.08060	2.7
147.11693	7.5
149.09624	3.9
149.13263	7.7
151.14856	2.0
153.12781	1.5
157.10150	8.9
159.11664	1.2
161.13293	1.0
163.14836	1.4
165.12785	1.4
165.16428	1.0
167.14195	0.7
175.11174	8.9
177.12729	2.0
182.17523	0.7
193.12273	32.6
195.13841	2.1
203.14430	0.7
209.92746	0.7
231.13898	1.1
247.24257	3.4
249.14899	8.2
263.23734	1.3
265.25281	9.9
267.62289	0.8
286.85934	0.8
292.10852	0.8
380.59183	0.8
463.22693	0.9
475.56366	0.8
531.40472	100.0
532.40704	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03946	5.5
54.93608	0.9
55.01864	2.7
55.05511	24.7
57.03426	3.7
57.07074	9.4
65.03934	3.8
67.05505	62.1
68.05827	1.4
69.03430	1.5
69.07069	30.1
69.41533	5.2
69.41950	1.8
71.04987	3.2
71.08627	5.2
73.02911	2.0
74.16290	0.7
75.25971	0.7
77.00659	0.8
77.03853	0.9
78.06437	0.8
79.05030	0.8
79.05494	34.0
81.03418	61.9
81.07056	64.0
83.05004	4.5
83.08620	30.4
85.06540	2.8
85.10185	2.4
87.04468	2.6
91.05479	25.4
93.07040	37.3
93.07640	1.8
94.07413	1.0
95.04965	16.5
95.08607	38.8
95.36409	0.8
96.08941	1.0
97.02895	1.5
97.06535	6.0
97.10166	13.4
98.21564	1.6
99.08084	1.6
103.05471	1.3
105.00099	9.4
105.07029	14.8
107.04969	2.6
107.08585	16.8
109.06525	2.6
109.10158	15.6
109.42574	0.9
111.08078	7.6
111.11692	4.4
113.05943	0.9
113.09665	1.1
115.05458	1.4
117.07049	4.3
119.08577	12.5
121.06509	3.4
121.10137	16.9
123.01110	0.7
123.08073	1.3
123.11691	6.6
125.09618	1.3
127.11239	0.8
129.07036	6.7
131.08560	8.0
133.06520	1.5
133.10114	6.5
135.08026	0.9
135.11687	9.2
137.09621	1.0
137.13252	1.7
138.65237	0.7
139.11180	1.6
142.07796	2.0
145.10170	1.4
147.08064	3.1
147.11703	4.9
147.12717	0.9
149.09641	2.1
149.13268	14.1
150.13554	0.8
151.11237	0.8
151.14830	1.4
153.12776	0.8
157.10112	5.8
159.11693	3.9
161.13258	1.6
161.30998	0.8
163.14812	2.3
165.12845	1.1
165.16412	1.0
175.11195	6.5
175.14775	1.7
177.12805	2.2
177.16536	1.0
182.67572	0.7
184.48041	0.8
193.12224	22.2
194.12547	0.8
195.13824	6.2
210.16216	0.8
247.24271	2.3
249.14868	4.4
263.23773	3.0
265.25247	6.2
277.90784	1.0
319.92090	1.1
343.71408	0.9
531.40393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03444	1.7
53.03936	6.3
55.01863	7.6
55.05518	21.1
57.03422	7.5
57.07071	4.6
60.63603	2.1
61.85855	1.9
65.03929	3.8
67.05508	90.4
69.03437	3.1
69.07072	24.4
71.04973	6.9
71.08601	2.2
79.05497	54.9
81.03407	5.8
81.07064	84.2
83.04983	9.3
83.08607	8.3
85.06555	9.2
91.05489	69.7
93.07050	58.1
93.07636	2.9
95.04992	9.6
95.08614	44.1
97.06524	6.1
97.10181	3.5
98.20733	4.8
99.04441	2.5
105.04488	2.2
105.07040	60.4
107.08603	54.3
109.06522	7.3
109.10163	73.3
111.08101	4.0
113.05993	2.7
117.07029	13.2
119.08589	22.1
121.10160	25.3
123.08057	3.8
123.11722	14.5
125.09625	2.4
126.33331	1.8
127.07556	2.2
128.06178	2.2
129.06963	2.2
131.08586	18.0
131.57570	2.1
132.58383	2.1
133.10144	82.9
135.11710	16.9
142.57495	2.0
143.08566	5.0
145.10138	12.2
147.08006	3.1
147.11720	11.6
149.09613	2.6
149.13272	9.4
151.11185	38.8
157.10153	6.2
159.11674	8.2
161.09628	3.8
161.13252	6.3
163.11092	2.7
163.14755	4.8
164.97560	2.0
169.12247	12.3
173.13252	8.7
175.14780	2.6
179.10654	4.2
183.11687	2.5
185.13290	2.7
187.14714	3.5
199.14786	3.9
215.12758	4.8
229.72304	2.4
243.21063	5.8
253.14371	100.0
259.20517	2.6
261.22156	22.5
271.15289	2.8
317.24942	2.8
403.29361	2.0
421.30975	5.4
439.32162	11.0
457.32968	8.5
513.35797	24.3
531.36768	72.8
532.37378	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	531.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.8
55.01866	7.7
55.05518	25.6
57.03431	5.1
57.07067	6.7
60.25237	2.1
65.03946	5.1
67.05510	100.0
67.82511	2.0
68.05834	2.0
69.03436	3.4
69.07073	22.0
70.21140	2.0
71.04987	7.6
71.50515	2.7
73.02901	4.0
77.24866	2.3
79.05501	70.1
81.03410	5.8
81.07061	94.1
82.07379	2.1
83.04971	9.4
83.08633	10.5
85.02919	4.7
85.06540	8.7
87.04465	2.3
91.05489	75.4
93.07053	80.5
95.04979	10.5
95.08067	3.5
95.08622	42.3
96.08955	2.7
97.06534	7.0
97.10182	6.2
99.04449	3.4
99.08097	4.3
101.05962	2.1
105.07041	61.6
107.08604	65.3
109.06523	8.4
109.10159	84.5
113.06020	3.0
117.07002	12.4
119.08598	25.6
120.40382	2.4
121.10149	24.7
123.08053	3.0
123.11714	14.2
125.09669	2.6
127.07535	3.5
129.07002	2.6
131.08537	19.8
133.10146	92.2
134.09445	2.1
134.10484	3.5
135.11705	18.4
137.13226	2.2
143.08585	5.3
145.10118	15.0
147.11696	12.3
147.85201	2.2
149.09612	3.5
149.13235	9.2
150.65811	2.5
151.11192	50.0
157.10178	5.6
159.11702	11.1
159.78278	2.3
161.09627	2.7
161.13255	7.5
163.14838	3.2
169.10150	2.4
169.12222	9.9
171.11734	2.4
173.11781	2.2
173.13301	7.0
175.11047	2.3
175.14828	2.7
179.10649	2.8
179.14226	3.0
187.14774	5.2
199.14883	3.0
201.16508	2.6
215.12782	5.5
243.21088	5.4
253.14383	80.0
256.26450	3.4
259.20694	3.6
261.22119	21.7
271.15482	4.7
317.24756	3.8
344.45563	3.0
439.32294	6.7
457.33023	4.7
513.35925	18.5
531.36841	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52779	2.3
53.03935	8.4
54.75478	2.6
55.01858	10.6
55.05511	42.8
57.03435	16.1
57.07069	5.7
65.03947	5.0
67.05506	100.0
68.05836	6.5
69.03417	2.7
69.06805	2.6
69.07073	25.2
71.04981	7.6
71.50343	4.1
73.02918	3.1
74.09705	5.6
79.05495	57.5
80.05817	4.3
81.03429	16.2
81.06599	5.2
81.07059	88.9
82.07384	8.9
83.04980	9.3
83.08621	22.6
85.02900	11.4
85.06573	4.2
87.04471	8.1
91.05482	46.7
92.05790	4.1
93.06490	4.5
93.07046	60.0
94.07380	4.6
95.04969	8.7
95.08611	33.3
96.08951	4.1
97.06497	8.9
97.10184	13.2
100.33035	2.4
105.07034	24.0
107.04894	3.5
107.08604	37.6
108.08906	2.7
109.06511	4.1
109.10158	37.8
111.04470	3.1
111.08072	8.0
112.82265	2.5
117.07021	15.1
118.07328	3.9
119.08616	17.3
120.08934	2.9
121.10161	17.4
122.10493	2.8
123.11718	5.3
125.09628	14.7
129.05504	4.5
129.07008	5.6
131.08574	20.8
132.08891	6.2
133.10167	18.0
135.11690	13.5
143.10670	4.4
144.60896	2.7
145.10127	10.6
146.10442	3.4
147.08147	2.9
147.11682	8.0
149.09583	2.8
149.13263	15.9
150.13612	4.1
151.11160	3.0
153.12729	3.4
155.10651	3.1
157.10143	5.4
159.11702	8.8
160.12125	3.2
163.11166	7.3
171.11673	3.0
173.09547	2.7
173.11711	10.7
173.13162	6.4
177.12805	3.3
193.12238	4.9
195.13831	13.7
199.13287	8.3
209.11539	2.6
227.12743	5.3
229.14343	35.6
236.56197	2.4
269.17532	37.3
301.16425	9.7
314.87140	2.4
411.26938	3.3
423.27243	8.6
438.34415	7.0
456.35098	2.8
495.29459	13.4
512.38721	2.5
513.30591	11.3
530.39319	76.5
531.38098	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	530.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86065	0.3
63.02374	0.5
68.08073	0.3
69.03434	0.9
71.45323	0.5
79.05503	0.8
81.03429	3.6
85.02924	0.9
89.03928	6.0
91.05544	0.3
107.04948	1.8
109.02895	1.2
117.03400	8.2
125.25368	0.4
127.03913	0.7
132.04466	9.2
135.04431	13.3
143.09412	0.3
145.01781	0.8
145.02866	10.1
160.03960	1.0
163.03923	96.1
164.04292	0.8
178.05017	68.9
179.05391	0.6
181.04988	1.4
197.72002	0.3
206.04510	100.0
207.04807	1.0
236.56560	0.3
242.32631	0.4
307.08136	6.1
325.09259	2.6
368.09732	1.9
530.13184	0.7
548.66156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	4.5
55.01858	4.9
55.05514	20.5
55.32496	2.1
57.03185	2.4
57.03441	18.9
65.03931	3.0
67.05507	35.4
69.03416	5.7
69.07058	8.2
69.38000	15.7
71.04986	5.9
73.63073	1.7
79.05498	37.1
81.03421	87.8
81.06607	2.7
81.07058	38.9
83.04986	25.9
83.08617	29.4
85.02908	32.9
91.05484	47.7
93.07040	22.9
93.46869	1.7
95.04971	29.1
95.08615	11.9
96.23830	1.7
97.02898	2.6
97.06532	6.6
97.10158	4.3
101.57644	2.1
105.07035	33.9
107.04978	9.4
107.08588	8.6
109.06516	7.9
109.10164	5.5
110.00232	2.2
111.04433	3.4
111.08108	14.6
113.06004	3.3
115.05399	2.4
117.06981	2.8
119.08587	26.3
121.06479	3.7
121.10143	12.7
123.08076	6.2
126.62453	1.9
129.06996	15.7
131.08572	16.3
133.06468	3.9
133.10118	12.2
137.09602	3.4
142.07784	2.4
147.08031	3.4
147.11694	24.6
149.09624	7.5
157.10098	14.7
163.11159	3.0
165.12740	5.1
175.11198	19.7
193.12242	74.2
211.13290	100.0
267.15955	31.6
281.63922	2.0
285.16959	87.3
292.07660	2.1
385.23578	3.2
459.27396	7.4
477.28464	10.7
495.29593	29.1
530.31506	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
53.03944	6.1
55.01865	2.5
55.05513	16.3
57.03426	3.4
57.07079	2.3
60.41525	0.8
65.03938	1.9
67.05505	53.6
69.07069	18.3
69.50295	5.6
71.04987	2.1
77.03931	1.2
78.46881	0.9
78.55522	1.0
79.05496	46.3
81.03419	3.6
81.07059	57.3
83.04967	4.6
83.08625	10.7
85.06532	2.1
91.05482	26.7
92.70816	0.8
93.07047	52.3
95.04980	4.6
95.08606	26.7
97.06538	5.4
97.10181	1.8
99.08108	2.6
105.04536	2.5
105.07032	19.4
105.07706	1.6
107.08591	26.5
109.06533	2.2
109.10157	9.8
111.08062	2.8
117.07020	10.8
119.08585	15.3
121.06489	1.3
121.10146	19.1
123.11718	3.6
129.07014	3.8
131.08571	20.4
133.10147	12.8
135.11696	11.5
141.07016	1.0
143.08569	3.9
145.10138	10.5
147.11668	5.0
149.12079	1.2
149.13261	21.8
155.08557	1.5
157.10164	3.7
159.11693	14.5
161.13284	4.3
161.19569	0.9
169.10150	2.3
171.11710	4.2
173.13234	4.3
177.12842	4.6
183.11749	2.0
185.13287	3.3
187.14844	2.8
195.13759	4.3
197.13281	1.3
225.16414	1.4
234.80493	0.9
243.21176	2.6
256.26529	3.2
261.22134	3.4
419.33109	2.1
437.34430	5.4
455.35229	4.1
511.37933	3.9
529.38898	100.0
530.39362	2.9
553.61737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03955	4.4
55.01870	2.1
55.05515	17.3
55.83629	0.7
57.03444	4.0
57.07071	2.5
60.63103	0.8
60.83566	0.7
62.21774	0.7
62.22837	0.6
65.03936	2.9
67.05508	55.2
68.05831	0.9
69.03439	1.3
69.07072	17.8
70.06616	0.8
71.04984	3.4
71.08635	0.7
71.50338	1.3
79.05497	39.5
79.46150	0.7
81.03413	4.0
81.07060	58.1
83.04980	3.1
83.08628	10.9
85.06554	3.0
87.04481	1.9
88.07638	1.4
91.05489	30.8
92.05795	0.9
93.07047	46.1
95.04998	5.2
95.08614	32.0
97.06526	6.4
97.10168	3.6
99.08078	0.9
102.09198	0.9
105.04510	1.5
105.07034	21.9
105.07701	1.4
107.04971	1.1
107.08605	24.0
109.06525	1.9
109.10172	12.0
111.08069	3.9
113.06026	0.8
113.09689	0.7
115.05458	1.7
117.07018	13.0
119.08587	17.1
121.06520	1.0
121.10147	20.5
123.08118	1.0
123.11700	4.4
125.09626	1.4
129.07016	6.0
131.08578	20.2
133.10130	15.2
135.08113	1.6
135.11691	10.7
137.09727	0.8
137.24200	0.7
139.49974	0.7
141.07014	2.1
142.07800	1.2
143.08563	7.1
145.10132	15.2
147.08083	1.0
147.11699	8.7
149.13248	12.8
151.11252	1.0
151.14900	0.7
155.08543	3.0
156.09424	1.4
157.10129	7.8
158.10756	0.7
159.11700	17.5
161.13205	4.3
163.14888	0.9
167.08537	1.1
169.10136	4.0
170.49316	0.7
171.11682	6.4
173.13301	7.1
175.14877	2.4
177.12827	2.1
181.10150	1.9
183.11748	3.0
185.13332	4.4
187.14848	4.9
193.12187	1.8
195.11777	2.1
195.13858	2.9
197.13327	2.7
199.14833	2.9
201.16403	1.7
209.13293	0.9
211.14911	1.3
213.16479	1.4
223.14844	1.5
225.16429	1.3
256.26364	9.5
261.22250	2.6
271.20712	0.9
285.22180	1.2
297.22244	0.9
299.23608	1.1
311.23633	1.0
313.25287	1.5
317.24796	1.1
329.24924	1.2
337.25641	0.9
343.26123	0.8
419.33224	3.2
437.34195	8.8
455.35162	4.2
485.36282	1.1
493.36774	1.5
511.37732	6.3
529.38916	100.0
530.39258	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01875	2.2
55.05273	1.5
55.05516	18.2
57.03450	4.4
57.07067	3.5
65.03947	3.4
67.05508	62.3
69.07075	18.3
69.56102	5.4
70.77686	0.8
71.05002	4.2
77.03915	1.0
79.05499	51.7
81.03445	4.2
81.07060	63.6
83.04987	3.7
83.08630	13.9
85.06541	3.8
91.05485	29.6
93.07049	64.4
95.04969	5.8
95.08615	32.9
95.09261	1.2
97.06532	7.0
97.10182	3.2
99.08060	2.1
105.04494	1.5
105.07034	17.2
107.04969	1.5
107.08601	31.1
107.09328	1.9
109.06544	2.1
109.10165	9.8
111.08084	5.5
111.11693	1.5
115.05499	1.0
117.07022	10.8
119.08589	14.6
121.10149	26.9
123.08072	1.3
123.11719	3.9
125.09700	1.2
129.07039	3.5
131.08574	18.9
133.10146	11.8
135.11710	15.1
137.09633	1.1
139.11212	1.3
141.06937	1.0
143.08598	5.0
145.10136	10.9
147.11710	5.8
149.09705	1.1
149.13271	24.8
154.07870	0.8
155.08549	1.2
157.10156	3.7
159.11700	13.5
161.13335	4.9
163.14859	1.2
167.14355	1.0
169.10176	2.1
171.11749	3.2
173.13240	5.1
175.11165	1.1
175.14832	2.9
177.12717	4.5
181.10139	1.1
183.11740	1.4
185.13327	1.9
187.14844	3.3
195.13766	5.8
201.16313	1.0
227.14375	1.0
243.21101	1.7
261.22156	6.3
299.23578	0.9
317.24826	2.7
405.30460	1.1
419.33459	1.5
437.34439	5.4
455.35364	2.3
511.38007	2.8
529.38922	100.0
530.39221	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	529.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.7
55.01877	2.3
55.05514	14.9
57.03442	2.7
57.07070	4.2
61.96447	1.2
65.03925	2.2
67.05506	61.0
69.07070	13.7
70.06586	2.7
71.04983	1.6
71.08621	2.2
79.05496	32.5
81.02935	1.8
81.03422	52.7
81.07060	62.7
83.04991	3.4
83.08168	1.3
83.08627	15.3
85.06538	1.9
87.04473	1.1
91.05482	24.5
93.06490	1.9
93.07049	27.9
95.04975	16.2
95.08614	32.7
97.02856	1.3
97.06528	3.7
97.10155	3.1
99.08083	1.5
105.04543	1.9
105.07043	18.2
107.04938	3.4
107.08591	14.9
109.06514	1.5
109.10159	12.7
111.08109	5.7
111.11620	1.2
115.05487	1.4
117.07024	4.4
119.08585	15.2
121.06438	2.5
121.10152	14.2
123.11701	6.5
129.07024	8.1
131.08580	11.4
133.06505	1.5
133.10124	8.6
135.11696	6.0
137.13257	1.7
142.07797	1.9
143.08589	2.5
145.10103	3.5
147.08066	2.7
147.11697	7.1
149.09653	2.3
149.13226	5.8
152.70447	1.0
157.10153	5.8
159.11726	4.5
161.13271	3.1
163.14758	2.6
165.12685	1.7
171.11638	1.8
173.13300	1.9
175.11180	4.8
175.14743	1.4
189.16299	1.2
193.12239	19.8
193.13893	1.7
194.18555	1.1
195.09940	12.7
195.13805	2.1
195.40137	1.0
199.14754	1.2
244.22780	1.7
245.22787	1.5
249.14896	3.3
251.12564	2.3
256.26144	1.6
263.23712	4.6
264.22220	1.1
276.91187	1.2
283.26291	2.3
284.26550	2.0
311.29465	1.9
312.29596	1.6
319.26184	1.3
335.25818	2.1
357.23871	1.7
437.34012	2.4
455.35272	1.8
511.38080	1.4
528.49774	4.7
529.35132	100.0
529.50482	13.4
549.97229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
67.05506	1.2
69.07069	0.6
71.50003	0.7
73.02909	0.4
79.05511	1.0
81.07065	1.3
89.19234	0.5
91.05479	0.8
93.07034	0.6
95.08601	1.3
105.07040	0.9
107.08598	0.9
109.02881	0.4
119.08596	1.5
121.10157	0.7
125.05945	0.4
126.35783	0.4
131.08591	0.9
133.10135	0.9
135.08096	0.6
137.09583	0.4
139.04042	0.5
143.08611	0.6
145.10146	0.9
147.04424	0.7
157.10124	0.5
159.11723	0.7
187.14836	0.6
196.98308	0.5
207.66566	0.4
321.67697	0.4
367.11719	0.4
367.28604	0.7
529.33527	100.0
530.33075	1.3
530.39130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06668	3.0
71.48749	6.3
71.88991	2.8
73.47249	3.6
79.55161	3.2
118.06535	19.6
130.06584	3.6
142.06567	4.5
144.08092	12.4
146.06023	64.3
159.09187	6.5
163.03926	6.1
170.06035	6.0
188.07072	100.0
205.09735	39.5
266.95261	3.5
303.61758	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.335
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
55.05508	0.9
67.05499	1.8
68.18569	0.6
69.07084	0.7
71.39037	1.1
74.60599	0.6
79.02869	0.6
79.05484	1.0
81.03420	1.0
81.07050	0.9
82.32039	0.7
83.00680	0.6
91.05461	0.9
93.07054	1.2
94.43767	0.6
95.08640	0.7
107.08588	1.1
109.10186	1.1
110.74565	0.7
119.08571	1.0
121.10104	1.0
409.65265	0.8
465.33444	37.9
506.36176	0.9
527.33569	100.0
528.33795	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	528.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	10.0
69.03432	10.1
69.84425	17.2
70.06593	3.6
71.05003	58.2
72.08151	2.9
74.90793	3.7
85.02916	66.8
88.08525	3.1
91.05493	4.1
95.04951	3.3
95.85247	3.3
103.05479	28.1
111.04458	13.3
119.04889	4.1
129.05487	15.5
131.04944	100.0
133.02872	5.1
133.95598	3.7
137.05988	55.9
141.07018	4.1
145.06427	3.6
147.04434	26.5
147.06526	5.2
149.05988	10.3
150.06786	4.2
151.07602	4.2
159.08185	3.0
161.06018	13.8
162.06799	10.1
163.07565	65.5
175.07613	16.0
177.05591	4.7
179.07091	4.2
187.07523	3.9
189.09012	3.7
191.07056	4.0
193.08672	17.6
199.07535	4.6
205.08635	5.0
209.45671	3.0
217.08435	6.3
235.09607	4.1
257.09286	6.1
259.09787	4.4
285.11157	8.3
297.11258	9.0
311.12769	3.4
317.13940	9.3
323.12961	4.2
341.13867	5.8
365.10495	4.5
366.10538	16.7
439.17365	5.4
452.18307	3.5
496.17102	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	526.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	17.0
57.03441	9.0
57.07066	9.6
59.05015	3.6
63.02560	3.8
63.94870	3.9
65.03943	5.1
67.05512	100.0
69.07081	19.1
70.09908	15.5
79.05499	10.8
79.48956	3.7
81.07062	39.1
83.08608	14.0
85.06556	4.4
89.06039	87.3
91.05478	8.1
93.07047	12.8
95.08606	34.8
97.91261	3.4
105.07032	5.7
107.08611	7.1
109.10168	71.4
111.08069	5.7
119.08610	7.9
121.10149	4.5
123.11657	5.8
130.08621	4.4
130.19957	3.5
133.08615	49.1
137.09573	6.4
155.10674	4.6
173.11775	18.9
177.11241	23.8
199.02890	3.6
225.54474	3.4
229.14377	95.1
245.22600	3.9
247.62309	3.8
263.24014	4.7
269.03174	3.7
275.67599	3.4
296.58765	3.6
296.86377	3.6
327.20200	34.6
337.27386	78.5
462.15631	3.8
491.37360	60.1
526.42352	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3353
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
55.05506	0.5
67.05505	1.2
69.07050	0.5
69.28922	0.3
69.69386	0.3
71.49856	0.5
77.74925	0.3
79.05495	0.4
81.03423	0.5
81.07072	0.6
81.99776	0.3
85.16656	0.4
91.05463	0.5
93.07066	0.5
95.08615	0.5
105.07061	0.4
107.08592	0.3
109.10172	0.9
115.31992	0.3
119.08603	0.6
145.10136	0.6
147.11644	0.3
168.08664	0.3
465.33350	1.2
483.33832	3.6
509.32346	1.8
527.33557	100.0
528.33923	2.0
532.30737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.05509	1.5
56.87740	0.8
59.42575	0.7
67.05502	1.1
69.22755	0.7
70.94851	1.5
70.95196	1.0
72.90144	0.7
79.05486	3.5
81.03429	1.4
81.07042	1.9
82.31622	0.8
83.39453	0.8
85.02905	1.9
88.32011	0.9
89.03932	6.3
91.05478	7.1
93.07047	18.4
95.04965	2.3
95.08617	2.1
99.34689	1.0
100.13802	0.8
105.07046	3.0
107.07892	1.2
107.08600	23.3
109.06560	1.0
117.03392	18.2
117.75314	0.8
121.10123	1.1
133.10092	1.2
134.03619	1.1
135.11690	12.8
137.06003	1.5
145.02856	43.7
149.05977	5.4
154.39140	0.8
163.32355	1.0
177.05478	100.0
178.05780	1.4
191.07045	1.0
213.97191	0.8
217.38733	0.8
229.08574	1.1
283.16891	1.2
295.73071	0.8
311.16312	1.6
321.09726	1.0
339.10678	1.3
364.25790	1.3
474.69168	1.0
526.31793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01873	1.5
59.15466	0.7
59.73621	0.6
61.02921	1.0
64.70416	0.7
69.03413	3.1
71.49030	1.0
79.05481	2.2
81.03409	1.0
81.07059	1.4
85.02917	9.2
91.05489	9.3
93.07034	2.0
94.04131	0.8
94.95412	0.6
95.04972	2.0
97.02888	3.6
103.05470	2.1
105.07046	1.2
107.04961	2.3
109.02882	1.3
109.06509	1.4
110.42983	0.9
115.05524	1.0
119.04951	7.7
119.08625	0.8
121.06518	5.5
121.10154	4.4
122.03662	2.4
123.04444	5.6
127.03928	1.0
129.07036	6.9
131.04939	4.5
131.08595	0.8
135.04434	2.0
137.05992	64.0
145.04945	1.6
147.04431	6.3
147.08049	2.4
149.05991	14.7
149.09665	1.1
150.06787	1.5
151.07559	38.7
154.81224	0.6
157.06508	5.8
160.05151	0.8
160.37003	0.6
161.05981	4.5
163.06276	1.0
163.07549	7.1
165.07034	3.5
167.08536	1.8
167.10718	2.3
174.06798	0.7
175.07559	22.9
177.05424	0.8
181.06453	0.9
183.08093	1.2
187.07523	0.9
189.09082	2.2
193.06580	4.1
193.08588	1.9
193.10196	2.1
195.08083	4.2
203.08554	1.1
207.10193	0.9
210.06705	1.9
211.07491	4.6
213.09142	3.5
221.06068	4.8
221.09607	3.5
223.07536	1.6
225.05515	1.3
225.09108	4.2
227.10638	1.3
231.08104	0.8
238.06320	2.6
239.07130	4.4
241.08572	5.1
243.10226	0.9
249.09171	2.9
253.08635	6.8
253.12227	5.3
255.10034	1.2
256.07355	0.9
258.08899	2.1
267.10175	1.2
270.08850	1.4
271.09644	17.7
273.11237	8.9
281.11722	2.9
285.11212	1.2
299.12820	26.6
317.13861	100.0
318.14261	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02098	1.0
53.31063	0.8
55.18341	0.8
69.31419	4.8
69.31834	2.1
79.05506	1.7
81.07056	1.3
93.07034	1.8
95.08605	1.3
98.21486	1.3
131.08562	1.3
133.10147	0.8
155.08626	1.1
171.11732	0.8
431.08572	0.9
481.32944	100.0
482.33191	2.6
507.34256	1.2
522.35474	1.7
525.31836	65.5
526.32349	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91291	0.6
53.03938	0.9
61.02926	1.4
69.03424	2.6
71.05002	0.8
71.48895	1.4
78.04714	1.1
79.05498	0.6
81.03416	1.5
85.02913	14.0
97.02885	4.5
98.10229	0.6
101.28072	0.6
106.04155	0.7
109.02888	1.1
123.04446	5.0
124.05220	0.8
127.03912	3.4
143.97981	0.6
144.06570	0.7
145.05000	4.4
152.04691	1.0
163.06029	1.1
167.07051	100.0
168.07379	1.1
176.02605	0.6
185.86353	0.6
283.62122	0.5
291.57025	0.5
313.58121	0.6
335.61111	0.6
478.99295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.5
57.03432	3.7
68.50904	3.0
69.03426	8.5
70.84014	8.6
71.04993	2.7
73.02882	3.3
75.25417	2.7
78.96429	2.6
79.05506	3.3
81.03401	9.2
81.07069	7.7
85.02910	39.4
89.56302	2.7
91.05468	9.6
93.07040	9.6
95.08609	3.2
96.08172	3.0
97.02875	11.3
99.04466	3.8
103.05468	4.6
105.06979	3.1
109.02884	5.7
116.10854	2.9
119.04956	5.7
121.06560	6.2
121.10153	37.4
122.03606	5.7
123.04436	6.3
123.11674	8.7
125.05959	2.9
126.45085	3.1
127.03905	11.0
129.07011	9.0
131.04910	8.1
135.04457	3.8
137.05045	4.2
137.05995	54.1
139.11176	5.1
145.04984	14.0
147.04437	8.5
149.05981	13.0
149.09644	7.8
151.07549	31.1
153.14204	2.7
161.06000	3.8
163.03944	6.7
163.07558	12.2
167.10667	26.1
175.07594	28.2
193.08626	4.6
195.08063	4.7
211.07481	4.9
213.09087	4.5
221.05959	4.6
225.09251	3.7
239.07045	6.0
241.08604	5.6
253.08565	6.2
253.12141	3.6
271.09625	15.0
273.11249	4.1
287.81232	3.2
299.12845	19.2
307.73764	3.0
317.13858	100.0
356.67215	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	525.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.9
55.05516	12.8
57.03418	9.0
60.85376	6.3
61.80777	6.0
67.05505	35.8
69.03423	25.4
69.07068	21.7
70.38075	20.4
71.04990	14.1
74.76245	5.8
78.19447	6.4
78.60416	6.6
79.05486	19.9
81.03423	35.3
81.07064	75.1
83.04979	10.5
83.08606	8.4
85.02896	13.2
85.06548	14.8
87.32777	6.1
91.05502	37.8
93.07031	20.6
95.08614	28.0
97.02885	12.1
97.06532	8.0
99.04472	9.5
99.08128	7.2
105.07057	49.9
107.04912	9.0
107.08582	15.8
109.02898	22.2
109.06516	14.1
109.10117	16.4
109.76226	6.1
119.08611	39.5
121.10149	24.6
123.08115	6.4
123.11700	44.6
127.03954	34.4
131.08525	8.8
133.10155	8.9
135.06490	6.5
135.08005	6.4
137.05972	19.1
147.04333	7.6
147.11710	100.0
149.05971	6.3
163.03880	8.9
165.12779	75.2
167.07082	11.0
183.13786	19.3
193.12279	19.0
211.13455	6.6
229.14342	79.9
319.15402	8.3
337.16507	39.2
355.17551	26.6
455.88998	6.1
525.23364	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	525.3191
Annotation	Oncostemonol A
Peak:m/z	Relative Intensity
51.90013	1.0
52.18390	1.0
55.05505	3.3
67.05488	5.0
69.07058	2.3
79.05476	3.8
81.03380	1.2
81.07040	4.3
83.04950	1.3
83.08611	1.7
85.05569	0.9
85.06541	1.1
91.05457	3.0
93.07038	3.8
95.08604	2.1
98.20797	2.6
105.07003	3.6
107.04668	1.8
107.08572	3.2
117.06973	2.2
119.08547	3.6
129.06978	2.0
131.08522	2.9
133.10069	2.4
133.66052	1.0
141.06989	1.2
142.07813	1.4
143.08545	2.0
145.10095	3.5
147.11650	1.5
151.40813	1.0
155.08557	3.2
157.10110	3.1
159.11664	2.2
161.13200	1.8
169.10092	3.5
171.11670	1.8
178.05957	1.6
181.10176	1.5
183.11737	2.1
185.13245	1.2
185.32405	1.0
195.11603	1.8
197.13269	2.4
209.13284	1.6
211.14783	1.4
261.14661	1.8
271.16516	1.2
277.14111	6.8
301.17465	1.3
321.22131	1.4
354.39612	1.1
409.23633	7.1
410.23892	1.0
433.30878	2.8
440.96271	1.4
451.31967	1.7
463.31564	6.4
469.33157	1.9
481.32614	2.3
493.29059	2.7
507.29950	5.6
508.32074	1.3
525.17236	6.2
525.31622	100.0
526.31726	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	6.7
57.50626	1.6
69.49595	7.8
69.50013	3.1
71.95255	2.4
83.19761	1.7
88.10851	1.7
98.21614	1.5
98.97591	100.0
115.09385	1.5
116.98627	36.3
119.01871	2.0
126.80222	1.7
134.99663	6.5
177.00941	5.0
216.98753	1.8
219.02034	4.5
235.00027	2.4
240.98721	9.2
243.02025	2.2
258.99805	86.4
260.00021	3.5
261.00082	2.3
261.03049	17.0
262.03201	5.3
263.02838	3.7
274.97699	3.2
277.00858	60.2
283.00040	18.8
283.99933	2.1
284.99881	2.3
298.97775	4.1
301.01117	11.1
302.01178	1.9
316.98883	3.8
355.93829	2.7
359.00027	5.9
364.98807	2.0
379.93985	3.0
382.99951	23.0
384.00067	2.0
396.94699	1.8
397.94781	4.8
401.01044	67.1
402.01035	2.6
419.02039	7.0
430.99976	1.6
443.01978	3.1
482.93036	2.9
483.43069	6.7
495.91446	2.0
506.99271	2.2
513.92169	2.3
519.91687	4.8
524.94183	1.8
525.01233	25.6
526.01312	2.2
537.92401	5.0
542.98767	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.05511	11.3
57.03434	13.0
57.07076	10.3
59.04998	3.8
65.03940	2.1
67.05506	100.0
69.07079	9.6
70.33026	4.3
70.33350	2.2
71.05003	3.1
71.08630	4.7
79.05495	23.4
81.03423	4.0
81.07060	39.4
83.08629	9.4
85.06538	3.1
85.10146	2.1
91.05488	18.5
93.07042	23.0
95.04963	2.2
95.08610	27.5
97.10168	4.7
98.20832	2.5
105.07030	7.7
107.08617	12.8
109.10164	69.3
111.08057	4.0
111.63821	2.0
119.08607	9.6
121.10148	12.0
123.11738	4.5
131.08588	6.3
133.10136	5.5
135.11684	6.6
137.09630	3.6
145.10129	2.3
147.11676	3.9
149.13293	3.6
155.10661	8.5
163.14888	2.9
173.11781	19.6
173.13182	3.8
193.12282	4.2
194.12599	2.4
229.14337	70.1
243.21167	4.3
245.54163	2.1
261.22162	9.3
335.25812	67.5
489.35834	30.4
524.40363	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01935	1.1
50.09430	1.1
53.03942	3.1
55.01860	1.8
55.05510	16.9
57.03442	6.0
57.07078	48.3
65.03937	2.3
67.05509	32.3
69.03420	3.8
69.07076	14.8
71.04978	3.6
71.08249	1.9
71.08636	32.1
71.37359	1.0
79.05499	19.6
81.03421	41.1
81.07060	38.7
81.07542	2.2
83.04993	6.6
83.08624	27.8
85.02441	1.9
85.02911	22.7
85.06555	1.9
85.10194	16.9
91.05488	23.3
93.07048	12.0
95.04980	17.7
95.08615	32.8
95.98807	1.3
97.02842	1.5
97.06530	2.4
97.10174	8.3
97.25630	0.9
97.83262	1.1
98.21558	2.1
105.07041	17.4
107.04957	3.7
107.08601	3.3
109.06526	2.6
109.10152	14.3
111.04465	2.4
111.08109	5.6
111.11730	1.6
113.05981	1.6
119.08588	14.3
121.06519	1.9
121.10158	6.0
123.08085	1.9
123.11736	5.4
129.07024	7.9
131.08580	7.4
133.06534	2.2
133.10152	5.7
137.13275	2.4
140.16951	1.2
142.07771	1.4
147.08076	2.8
147.11679	9.5
147.12709	1.4
149.09615	2.8
157.10135	9.1
165.12749	1.8
175.11201	11.0
181.02663	1.1
193.12253	48.0
211.13293	52.1
229.17661	1.1
239.23672	8.7
249.14862	2.0
250.68845	1.1
264.13547	1.3
267.15900	6.2
299.51971	1.1
313.27481	4.4
505.39230	3.2
523.40002	100.0
524.40350	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	524.3715
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05512	0.4
56.05038	1.5
57.03446	0.5
57.07080	2.9
58.06612	1.1
60.08168	16.5
67.05503	0.9
69.07066	0.4
70.74834	0.3
71.07377	6.2
71.08624	1.5
81.07051	0.8
83.08599	0.4
85.10187	1.1
86.09712	49.5
95.08604	1.0
97.10180	0.5
98.98475	4.0
103.41072	0.3
104.10751	100.0
105.11111	0.6
109.10144	0.5
125.00011	28.9
163.01604	0.7
181.02702	0.3
184.07353	97.9
195.13239	0.3
216.67142	0.3
248.46365	0.3
252.69284	0.3
258.10886	1.3
266.11322	0.3
315.62970	0.3
341.30502	1.3
447.28537	0.5
506.36124	8.9
524.37140	30.9
525.37402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24439	0.8
53.03939	3.2
55.01867	1.8
55.05273	1.1
55.05518	17.0
57.03440	7.2
57.07079	42.9
58.57792	0.8
58.71423	0.7
59.05011	0.8
63.94879	0.6
64.95170	0.7
65.03940	1.4
66.86330	0.7
67.05509	29.6
69.03421	2.5
69.07069	10.9
71.04984	4.0
71.08241	1.6
71.08636	31.7
79.05497	15.3
81.03421	42.2
81.07061	33.0
83.04996	8.9
83.08624	25.6
85.02908	22.7
85.06539	0.9
85.09674	1.0
85.10184	14.4
91.05486	18.5
93.07052	11.1
95.04379	1.6
95.04972	18.2
95.07992	1.6
95.08611	32.7
97.02908	1.3
97.06538	1.9
97.10160	7.2
99.11735	1.6
105.07040	13.5
107.04968	2.6
107.08596	4.8
109.06527	2.1
109.10172	12.6
111.04462	0.8
111.08085	9.0
113.06017	2.7
115.05487	1.0
119.08597	9.8
121.10144	6.6
123.08049	1.6
123.11723	7.5
129.07013	7.9
131.08583	6.7
133.06491	2.1
133.10121	5.3
133.75177	0.8
137.09615	0.9
137.13254	2.3
142.07774	1.3
147.08034	1.2
147.11690	8.0
149.09633	4.4
157.10107	8.4
165.12772	2.2
175.11197	14.3
175.12576	1.2
193.12257	47.7
211.13304	46.6
221.22650	0.9
228.01376	0.7
229.14528	0.8
229.17952	0.7
239.23708	7.6
267.15973	4.4
285.16998	1.0
313.27426	6.3
505.38904	2.7
523.39984	100.0
524.40253	1.8
525.18469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01868	2.3
55.05516	14.2
57.03448	8.1
57.07080	46.2
65.03937	2.3
67.05511	29.6
69.03422	3.4
69.07069	15.0
70.75864	1.8
70.76192	1.2
71.04993	3.5
71.08638	35.4
74.33724	0.9
79.05069	1.6
79.05495	19.3
81.03421	45.4
81.06597	1.9
81.07062	36.6
81.07538	1.8
83.04996	6.3
83.08155	1.6
83.08626	25.9
85.02912	22.9
85.06554	1.5
85.10188	19.4
91.05486	21.8
93.07049	11.9
95.04974	18.4
95.08615	34.8
97.02901	1.9
97.06530	2.9
97.10174	8.6
99.11728	1.2
105.07040	13.9
107.04951	4.9
107.08595	4.1
109.06512	2.2
109.10165	14.8
109.10870	1.5
111.04460	1.4
111.08091	8.2
113.06002	2.3
115.05495	1.1
117.07085	1.2
119.08586	12.1
119.09401	1.2
121.06513	0.9
121.10158	7.6
123.08069	1.3
123.11726	7.0
125.09695	1.0
125.13252	1.0
129.07027	7.2
129.13927	0.8
131.08560	8.7
133.06490	1.1
133.10144	6.6
135.08037	1.0
137.09607	1.6
137.13280	2.4
142.07858	1.6
145.10110	1.1
147.08028	2.0
147.11716	11.7
149.09647	4.8
157.10135	8.2
165.12746	2.4
175.11218	13.0
185.23090	0.9
193.10451	1.7
193.12262	47.4
211.13306	52.5
216.64719	0.9
239.23705	7.3
249.14919	1.6
267.15930	5.1
313.27365	6.2
505.39053	3.8
505.46384	0.9
523.40009	100.0
524.40424	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3637
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
55.05507	34.5
55.44207	7.2
61.95245	8.3
65.30962	8.7
67.05505	31.0
67.19199	7.4
69.07069	30.2
69.74706	48.1
79.05506	11.8
80.03271	7.7
81.07061	31.6
81.86978	7.2
83.08624	30.8
87.12404	8.4
88.02634	7.9
91.05498	16.0
93.07043	31.5
95.04991	8.8
95.08630	38.7
98.20857	18.1
99.04402	7.8
99.08089	10.0
104.05518	7.7
105.07042	38.6
107.08602	54.6
109.06534	9.2
109.10156	38.0
111.08128	8.3
119.08581	56.3
121.10146	52.5
129.07059	10.9
131.08554	30.5
133.10141	47.9
135.08054	10.5
135.11674	14.9
137.05983	11.4
143.08568	28.2
145.10136	35.6
147.11710	14.4
149.05974	8.8
149.13307	13.5
157.10130	21.4
159.11722	30.2
161.09645	14.6
161.13295	11.8
170.10977	8.6
171.11789	22.0
173.13280	23.5
175.14871	39.5
181.33627	8.4
183.11720	9.8
185.13304	34.5
187.14844	41.7
189.16493	9.7
199.14841	25.9
201.16414	18.4
203.14372	34.8
205.15910	28.7
221.15366	13.1
223.16957	27.8
227.18040	10.6
245.15424	12.4
249.14784	14.3
361.23517	13.7
373.27240	9.0
387.25464	15.4
405.26514	100.0
418.54395	9.8
423.32602	9.2
433.31064	13.7
441.33682	66.7
442.33759	10.3
451.32413	17.1
459.34668	19.1
469.32962	29.1
487.34406	50.8
523.29388	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3633
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
55.05512	18.9
57.07074	3.1
64.94466	1.4
66.06274	1.6
67.05504	6.2
69.07067	5.3
70.72298	3.7
79.05489	6.9
81.07057	17.7
83.04977	1.9
83.08630	13.3
91.05479	13.4
91.25699	1.5
93.07051	20.8
95.04961	2.3
95.08598	15.5
97.06522	3.5
99.08086	4.5
105.07035	23.3
107.08592	30.1
109.06545	3.6
109.10162	23.3
111.08112	2.2
111.73687	1.7
117.07014	10.4
118.89478	1.6
119.08589	29.4
121.06520	3.8
121.10143	22.7
123.08089	4.0
123.11705	5.0
129.06934	3.1
130.07819	1.8
130.32607	1.6
131.08578	14.7
133.06505	2.0
133.10143	29.4
135.08095	5.4
135.11722	9.2
137.05940	1.8
137.09639	2.2
139.07506	2.2
143.08568	10.0
145.10146	27.1
147.08038	2.9
147.11711	10.7
149.09631	3.9
149.13274	6.2
151.07556	2.3
151.11162	2.7
157.10139	9.8
159.11743	11.8
161.09633	2.7
161.13269	11.5
163.11174	4.2
163.14815	11.0
165.09198	1.7
169.10143	5.0
170.10823	2.0
171.11710	6.0
173.13261	6.4
175.14827	32.5
177.09248	1.7
177.16417	14.1
183.11685	5.9
185.13257	16.9
187.14833	38.8
189.16373	3.0
193.15947	2.6
197.13274	2.4
199.14804	6.0
201.16393	4.9
203.14323	18.1
205.15897	43.0
209.13341	2.6
211.14847	4.0
213.16356	2.9
215.14388	1.8
215.17874	1.7
221.13507	2.4
221.15393	13.2
223.16946	35.1
225.16324	1.9
227.17958	3.4
229.15869	2.5
231.13930	1.9
243.17639	1.9
249.14786	10.9
253.19489	3.6
335.23804	1.8
373.27261	4.7
387.25482	9.1
405.26392	80.1
405.31415	5.9
423.32779	8.5
425.33929	2.4
433.30933	4.3
441.33624	33.2
443.35016	6.9
451.32025	5.7
459.28748	2.9
459.34756	39.9
469.33130	14.5
487.34253	27.1
505.35236	100.0
506.35873	2.9
523.30298	3.8
523.36578	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.9
57.03423	2.0
61.82727	1.6
62.42251	1.7
66.55267	1.9
69.03432	2.9
69.23665	6.4
69.24091	9.3
79.05497	3.8
81.03429	4.9
85.02905	4.3
91.05489	7.3
93.71957	2.2
95.04969	3.5
98.21570	3.7
103.05473	44.3
105.07027	4.1
107.04951	14.5
115.05521	3.1
117.07032	3.5
119.04960	6.5
121.06521	5.1
122.03561	1.9
123.04434	1.8
127.03928	3.0
128.06184	1.8
129.06972	2.4
131.04938	63.7
133.06503	2.0
135.04375	2.6
135.08115	2.1
137.05989	66.5
145.06493	3.1
147.04401	6.7
147.08066	4.2
148.05139	2.3
149.05956	4.9
151.07550	22.3
157.06505	2.0
160.05258	2.3
161.06079	7.9
163.07556	100.0
164.08220	4.1
165.09187	1.9
175.07520	12.2
177.05484	2.8
177.09120	39.3
179.07053	9.7
181.08638	5.6
187.07549	2.2
189.09113	5.7
191.07065	4.6
195.10194	5.2
203.07022	3.4
203.10706	7.0
203.29251	1.7
207.10197	7.7
221.11760	9.8
229.08521	1.8
273.11185	2.8
291.12378	3.8
315.13480	2.4
373.83691	1.9
473.15872	2.2
476.51657	2.7
505.18008	2.7
523.19116	4.5
524.46051	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.6
67.05511	12.4
68.59997	3.9
69.07076	10.1
69.20033	4.5
71.07877	6.3
71.08203	9.3
79.05483	14.4
81.07056	27.8
82.67500	4.2
82.97003	4.4
83.05043	4.5
83.08620	7.1
85.97632	4.2
91.05484	22.8
93.07065	31.3
95.08625	37.2
99.08091	24.6
105.07037	67.1
107.08601	67.4
109.10156	35.5
111.18351	4.2
117.07072	6.1
117.54529	4.5
119.02613	4.7
119.08585	100.0
121.06432	4.9
121.10133	52.9
123.11723	9.8
129.07040	5.1
131.08556	53.0
133.10129	51.4
135.11684	27.4
137.09564	6.4
143.08546	8.9
145.10124	62.8
147.11702	53.0
149.09602	4.7
149.13272	12.7
157.10123	14.6
159.11691	37.8
161.13223	24.4
163.11189	12.2
163.14879	16.9
165.12610	5.1
170.10936	5.0
171.11708	5.6
173.13246	42.0
175.14847	22.4
177.12862	7.2
177.16411	16.7
179.14342	9.8
183.11699	10.3
185.13229	25.7
187.14838	84.7
189.16414	23.8
191.14302	8.1
191.17924	7.3
197.13338	6.2
199.14845	17.7
201.16379	85.3
201.18257	5.1
203.14371	15.3
203.17953	7.8
205.15897	64.0
207.17474	10.6
209.13246	5.2
211.14824	5.6
213.16382	12.0
215.14313	4.9
215.17926	12.1
217.15843	8.8
219.17513	40.5
223.14917	8.5
223.16913	55.5
229.15796	5.2
237.18423	11.6
251.16600	7.0
273.22266	5.0
405.31485	31.0
407.33264	23.5
423.32635	44.4
425.33917	35.1
441.33658	74.4
443.34943	5.7
451.32288	10.7
459.34741	33.5
469.32913	9.6
487.34146	7.5
497.42288	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	523.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
53.95300	3.5
55.01881	4.4
67.05501	4.5
69.03427	13.5
69.07099	2.9
69.47344	14.9
69.47749	6.4
79.05521	6.8
81.03416	12.9
85.02905	16.4
91.05492	10.9
93.07037	4.7
95.01408	3.4
95.04970	8.8
97.02917	5.5
98.20770	6.3
103.05466	15.7
105.07035	10.5
107.04950	12.4
107.07394	3.9
109.02905	7.6
115.05532	3.8
117.07041	6.8
119.04939	15.2
119.08603	4.1
121.06528	7.7
121.10139	3.7
122.03642	6.3
127.03934	8.8
128.06270	3.8
129.07016	5.1
131.04926	27.8
133.06496	6.6
133.10146	4.3
135.04468	3.6
137.05988	100.0
141.07001	4.9
143.05081	3.0
145.06525	5.8
147.04401	22.0
149.05997	7.3
151.07553	56.3
153.01820	7.0
157.06503	6.7
161.06004	17.8
161.09515	3.8
163.03899	7.9
163.07535	35.1
165.05475	4.5
165.09140	5.8
167.07030	8.1
168.95174	3.0
169.06560	3.8
171.08104	3.5
175.07527	18.2
177.05537	9.3
177.09094	19.2
179.07050	26.0
181.06422	4.1
181.08640	4.8
187.07564	8.1
189.09143	16.1
191.07108	11.8
191.10684	3.7
193.08482	4.3
195.10220	7.1
201.09096	5.7
203.07042	11.3
203.10776	3.6
205.08650	3.9
207.10165	18.7
215.07068	4.4
217.08565	6.7
221.08151	4.6
229.08647	5.5
231.10147	5.2
249.11189	3.5
255.11320	6.8
269.13043	4.3
273.11279	10.1
291.12292	8.9
295.10501	3.5
297.11581	4.3
299.13702	5.7
313.11957	11.5
315.13376	33.7
316.14227	11.7
361.16144	6.0
373.13959	5.9
379.51404	3.3
427.15009	3.4
445.16672	4.3
473.15555	14.9
487.17172	4.8
491.16809	4.0
505.18347	17.3
523.19348	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53612	7.6
55.05512	13.8
57.07086	7.0
58.92292	5.7
65.42924	5.8
67.05517	11.1
69.07068	20.0
70.06565	7.9
71.49530	9.1
71.70160	6.8
74.72794	6.6
78.58479	6.6
79.05492	21.1
81.07072	38.9
83.08615	16.8
85.06542	7.3
91.05486	28.9
93.07047	50.8
95.08617	40.3
96.08945	9.8
97.06531	6.8
99.08096	10.6
103.05401	6.6
105.07041	59.7
107.08590	68.8
108.08974	7.6
109.10123	37.8
111.08113	9.6
117.07021	18.2
119.08591	96.2
121.06419	6.5
121.10156	48.4
122.10501	9.4
123.08051	12.8
123.11716	23.4
128.06194	5.8
129.07033	8.6
131.08601	35.1
133.10132	78.6
135.08066	10.7
135.11681	53.3
137.06003	10.8
137.13243	15.7
143.08592	19.2
145.10121	54.7
147.08083	12.3
147.11696	100.0
149.13214	12.7
151.11195	7.8
155.08636	6.9
157.10126	22.8
159.11667	35.3
161.13235	10.7
165.12781	29.6
169.10152	12.8
171.11662	35.1
173.13264	55.1
174.13597	8.5
175.14796	10.6
177.16464	8.0
182.72162	7.6
183.11702	12.0
185.13225	18.1
187.14859	27.4
189.08905	8.3
189.16396	9.6
191.14357	13.0
197.13226	19.4
199.14845	20.4
201.16365	17.4
203.14334	9.2
205.15886	15.0
211.14758	7.9
213.16426	8.9
217.15869	9.9
286.63974	6.8
288.19608	6.6
393.31851	7.6
405.31680	11.8
423.32788	10.6
439.32114	25.2
451.32083	26.8
468.31784	17.6
469.33704	10.1
476.34097	8.2
487.34607	11.3
504.33743	20.7
522.34949	42.1
523.28851	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	522.356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83633	0.4
55.05502	2.0
56.05023	1.1
57.07075	0.4
58.06606	1.2
60.08167	17.6
60.80790	0.4
62.73543	0.4
67.05500	0.9
69.07076	2.7
69.81580	1.3
69.81998	1.2
70.06603	0.5
71.07378	7.4
75.74118	0.5
79.05453	0.5
81.07040	1.2
83.08624	1.3
86.09712	48.8
86.61201	0.4
93.07040	0.6
95.08614	1.6
97.10123	0.5
98.98481	4.1
102.90215	0.4
104.10751	100.0
105.11146	0.8
125.00014	27.1
153.82185	0.5
163.01514	0.8
184.07353	98.5
185.07758	1.0
258.11050	1.2
285.30005	0.4
339.29071	1.0
346.62427	0.5
445.27075	0.5
504.34399	7.6
522.35608	25.1
523.36188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.1
53.03940	3.5
55.05500	3.9
67.05493	4.5
68.73799	1.1
69.03436	2.8
69.07063	3.7
71.04996	27.9
71.28824	2.2
79.05518	6.8
81.03416	3.5
81.07041	6.4
85.02900	2.3
85.06534	5.4
91.05488	14.5
93.07050	47.9
95.04961	3.2
95.08597	4.3
97.02890	3.3
97.06506	2.6
99.04474	1.5
103.49311	1.2
105.07050	7.0
107.08601	52.2
109.02852	2.7
109.06502	2.6
109.10146	4.5
113.06042	6.9
119.04975	1.6
119.08572	3.4
121.10144	3.1
123.08090	1.2
127.03922	3.5
127.07561	15.7
129.06981	1.6
131.04907	1.3
131.07047	10.0
131.08545	2.7
133.10129	3.6
135.08125	1.6
135.11700	22.2
137.05978	6.7
138.06322	1.2
145.08607	100.0
147.04433	2.7
147.11691	2.6
149.09633	1.2
151.07584	1.8
157.10155	1.4
159.11728	1.6
161.06049	1.6
161.13300	1.5
163.07460	1.3
171.11676	1.6
173.08151	2.0
173.13231	2.0
175.14827	1.8
177.09125	1.9
183.11696	1.4
185.13271	1.4
191.09164	10.4
193.12291	1.9
255.48988	1.2
257.10236	1.2
261.14545	1.2
311.45114	1.2
317.12399	1.9
335.13358	6.0
350.29898	1.5
422.26050	2.3
486.33331	1.6
504.20502	1.3
504.33453	1.8
522.27338	1.6
522.35022	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
56.05038	0.6
57.03421	0.2
57.07060	0.1
58.06636	0.4
59.07399	0.1
60.08167	5.9
67.05514	0.4
69.07052	0.6
69.93169	0.3
69.93571	0.2
70.06583	0.1
71.07379	3.3
76.77839	0.1
79.05495	0.2
81.03409	0.2
81.07068	0.4
83.08614	0.3
86.09708	31.9
87.10021	0.1
91.05453	0.2
93.07051	0.4
95.04905	0.1
95.08605	0.5
97.10172	0.1
98.20859	0.1
98.98466	3.4
104.10747	3.0
105.07016	0.2
107.08575	0.2
108.01276	0.1
109.10159	0.2
113.72062	0.1
121.10154	0.2
125.00009	22.5
135.11618	0.1
140.97661	0.1
143.11395	0.1
184.07347	100.0
185.07634	0.4
211.13274	0.2
339.28833	0.2
504.34534	1.0
522.35468	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.1
53.03940	3.5
55.05500	3.9
67.05493	4.5
68.73799	1.1
69.03436	2.8
69.07063	3.7
71.04996	27.9
71.28824	2.2
79.05518	6.8
81.03416	3.5
81.07041	6.4
85.02900	2.3
85.06534	5.4
91.05488	14.5
93.07050	47.9
95.04961	3.2
95.08597	4.3
97.02890	3.3
97.06506	2.6
99.04474	1.5
103.49311	1.2
105.07050	7.0
107.08601	52.2
109.02852	2.7
109.06502	2.6
109.10146	4.5
113.06042	6.9
119.04975	1.6
119.08572	3.4
121.10144	3.1
123.08090	1.2
127.03922	3.5
127.07561	15.7
129.06981	1.6
131.04907	1.3
131.07047	10.0
131.08545	2.7
133.10129	3.6
135.08125	1.6
135.11700	22.2
137.05978	6.7
138.06322	1.2
145.08607	100.0
147.04433	2.7
147.11691	2.6
149.09633	1.2
151.07584	1.8
157.10155	1.4
159.11728	1.6
161.06049	1.6
161.13300	1.5
163.07460	1.3
171.11676	1.6
173.08151	2.0
173.13231	2.0
175.14827	1.8
177.09125	1.9
183.11696	1.4
185.13271	1.4
191.09164	10.4
193.12291	1.9
255.48988	1.2
257.10236	1.2
261.14545	1.2
311.45114	1.2
317.12399	1.9
335.13358	6.0
350.29898	1.5
422.26050	2.3
486.33331	1.6
504.20502	1.3
504.33453	1.8
522.27338	1.6
522.35022	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.8
55.01873	5.3
55.05517	48.2
55.63008	1.0
57.03440	6.7
57.06828	1.5
57.07080	16.9
59.04989	1.4
61.71752	0.9
67.05509	27.0
67.38762	1.0
69.03424	3.5
69.07076	42.3
69.30831	6.6
69.31229	1.9
71.04992	4.1
71.08636	11.2
77.33537	0.8
78.60934	0.9
79.05073	1.8
79.05502	23.5
81.03428	41.6
81.06592	2.0
81.07068	31.0
83.04991	10.6
83.08628	51.5
85.02435	1.8
85.02916	21.7
85.06526	0.9
85.10175	4.7
86.09712	2.3
91.05492	28.2
93.07053	17.5
95.04978	17.5
95.08616	16.9
96.56691	1.0
97.02880	2.1
97.06544	4.9
97.10177	28.9
99.08112	1.3
104.10755	3.8
105.07042	17.8
107.04973	3.9
107.08601	9.6
109.06512	3.1
109.10172	6.8
111.04497	2.7
111.08096	8.5
111.11715	6.3
113.06030	2.7
115.05461	1.6
117.07037	2.7
119.08601	14.6
121.06519	1.9
121.10162	10.5
123.08113	2.7
123.11716	3.5
125.09650	1.8
129.07045	8.8
131.08600	8.3
133.06546	2.0
133.10115	7.8
135.11705	3.9
137.13327	1.3
142.07756	1.8
145.10156	2.6
147.08073	2.7
147.11696	10.6
149.09669	3.8
149.13383	1.1
157.10117	7.7
163.11208	2.3
165.12776	2.4
175.11197	10.2
177.34937	1.0
184.07399	3.5
189.11244	1.1
191.10736	1.2
193.12256	42.8
209.11798	1.9
211.13313	42.7
211.15317	2.2
219.21106	1.3
227.12849	2.1
237.22165	10.9
239.27034	1.1
249.14876	1.5
267.15988	6.1
275.20193	1.3
285.16946	1.8
293.21429	1.3
311.25897	4.2
429.33893	1.4
503.37372	2.8
521.38458	100.0
522.38385	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01866	3.6
55.05273	2.8
55.05515	39.4
55.93501	1.6
57.03427	11.1
57.07066	8.8
60.08154	7.9
61.02918	3.2
63.47996	1.8
67.05508	57.0
69.03423	6.0
69.07072	42.1
71.04984	7.2
71.08624	5.9
72.74438	2.1
72.93782	4.8
76.20407	1.9
79.05493	39.2
81.03419	45.8
81.07060	68.8
81.84152	2.0
83.04996	11.5
83.08158	3.1
83.08623	38.7
85.02906	26.8
85.06616	3.0
85.16586	2.2
86.09695	19.6
87.30875	1.9
90.94794	3.0
91.03979	2.4
91.05481	32.2
93.07050	33.1
95.04974	23.0
95.07994	2.2
95.08611	41.1
97.02920	5.6
97.06515	3.2
97.10165	15.9
98.21607	5.2
98.34134	2.1
98.98466	3.0
99.08089	2.3
102.46464	2.2
104.10751	28.5
105.04523	2.1
105.07039	19.7
107.04966	4.3
107.08614	20.5
109.06533	4.4
109.10151	14.8
111.08082	12.4
111.11714	4.5
113.05967	2.2
117.06993	2.4
117.82711	1.8
119.08588	17.9
121.10147	25.5
123.08059	2.5
123.11720	9.4
125.00004	13.7
125.09634	3.9
129.07002	6.0
131.08565	11.0
133.10135	7.9
135.11702	14.9
137.13271	4.6
141.07037	2.4
143.08545	2.8
145.10144	5.3
147.11691	11.3
149.09622	5.8
149.13234	5.7
153.12740	2.0
154.94119	4.1
157.10139	9.5
161.13213	2.2
163.03909	3.7
163.14841	2.6
165.12776	2.3
171.11766	2.2
172.95270	3.3
175.11218	11.8
177.33369	1.9
184.07355	66.4
186.96907	2.1
193.12245	54.0
209.11646	2.2
211.13292	50.8
219.21158	2.7
237.22202	8.7
267.15948	4.6
311.25955	3.6
333.15198	10.0
335.25635	2.2
365.14334	3.2
429.33865	2.7
447.18381	2.9
503.37357	5.7
504.34454	2.2
521.22357	3.5
521.38458	100.0
522.35736	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	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.9
53.03944	4.3
55.01875	9.4
55.05515	55.9
57.03431	7.6
57.07080	19.8
59.05015	1.1
65.03952	2.2
66.17802	0.8
67.05510	33.8
69.03432	2.3
69.07073	52.5
71.04981	4.3
71.08637	14.3
79.05499	34.6
81.03424	35.5
81.07059	32.6
83.04994	11.7
83.08623	56.5
85.02910	19.6
85.06556	1.9
85.10190	4.0
91.05484	37.2
93.07048	19.9
93.07635	1.4
95.04971	21.3
95.08610	18.3
97.02903	1.7
97.06550	4.4
97.10177	32.4
99.04446	1.1
99.08134	1.3
105.04538	1.2
105.07040	24.7
106.07408	0.9
107.04961	5.8
107.08592	10.3
109.06539	4.8
109.10171	5.0
111.04459	2.1
111.08098	9.6
111.11715	8.9
113.06013	2.3
115.05447	1.7
117.07054	2.8
119.08598	16.9
121.06522	1.7
121.10146	13.2
123.08108	3.9
123.11745	3.7
125.09674	2.5
125.13329	1.9
128.06255	1.1
129.07027	8.7
131.08574	11.5
133.06535	1.2
133.10136	12.0
135.08093	1.2
135.11725	6.6
137.09668	1.5
137.13318	1.5
139.11194	1.0
142.07808	2.9
145.10204	2.1
147.08099	2.6
147.11696	11.6
149.09621	6.1
149.13269	1.0
151.07593	1.6
151.11130	0.9
157.10149	11.3
163.11203	3.9
165.09204	1.1
165.12819	3.1
175.11200	12.0
193.12259	44.2
211.13287	38.8
211.15265	1.6
219.21140	1.8
221.15266	2.0
227.12804	2.5
229.10004	1.0
237.14893	1.0
237.22148	17.8
248.14012	1.0
249.14650	1.6
256.17859	1.1
262.16772	1.1
267.15918	5.5
285.17111	1.1
303.19446	2.3
304.20038	3.9
311.25806	2.5
503.36572	1.2
521.38440	100.0
522.39008	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.8
53.03943	3.6
53.28075	0.7
55.01878	8.1
55.05513	44.8
57.03203	0.8
57.03439	5.8
57.07080	25.0
57.27073	0.7
59.04991	1.4
61.04632	0.8
65.03938	2.6
67.05505	31.6
68.14251	0.8
69.03425	2.5
69.07069	44.1
69.36836	5.7
71.04993	3.9
71.08633	16.2
75.80221	0.8
79.05028	0.8
79.05495	29.8
81.03421	30.1
81.07057	36.9
83.01348	1.7
83.04980	11.2
83.08620	47.8
85.02912	16.2
85.06558	1.9
85.10177	9.2
91.05486	30.4
93.07043	21.3
95.04967	16.8
95.08611	24.5
95.09181	1.5
97.02911	1.5
97.06546	4.6
97.10170	27.4
99.08097	2.1
105.07030	19.0
107.04960	5.9
107.08598	9.7
109.06486	4.6
109.10170	7.6
111.04443	1.6
111.08074	6.9
111.11728	8.8
111.88518	0.8
113.06028	1.6
115.05493	1.5
117.07034	4.8
118.17757	0.7
119.08577	14.1
121.06490	1.8
121.09366	1.0
121.10162	11.0
123.08080	3.7
123.11685	4.7
125.09672	1.8
125.13291	2.5
129.07004	7.4
131.06152	0.9
131.08566	8.2
133.06543	1.3
133.10132	10.3
135.11713	9.3
137.09651	1.4
137.13258	2.7
139.11150	0.9
139.14857	0.9
142.07816	3.1
142.68309	0.9
145.10150	6.4
147.08098	2.3
147.11691	8.8
149.09644	3.3
149.13245	1.4
157.10161	8.3
163.11168	8.8
163.14847	1.0
165.12761	1.4
173.09633	1.2
175.11189	8.9
181.12297	2.2
193.12228	25.1
193.13898	1.5
209.11755	3.4
211.13292	28.5
219.21129	1.2
227.12744	5.0
237.22125	13.8
239.23790	3.0
267.15967	3.8
285.17044	1.1
311.25778	2.8
360.20303	0.9
399.79440	0.9
503.37198	1.2
521.38409	100.0
522.38849	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01862	3.0
55.05515	14.3
57.03443	1.6
57.07079	27.6
60.45055	1.0
65.03933	1.6
67.05144	1.5
67.05505	25.0
69.07072	15.3
69.28011	9.1
71.05010	1.6
71.08633	20.0
79.05497	20.0
79.24572	0.9
81.03394	2.7
81.06593	1.9
81.07053	28.5
83.04964	4.2
83.08620	17.3
85.10194	8.0
91.05478	8.8
93.07049	32.1
95.04994	5.8
95.08610	43.2
97.02890	3.3
97.06512	3.3
97.10163	6.3
99.04456	2.5
99.11813	1.1
103.05489	1.0
105.07037	8.0
107.04956	7.7
107.08599	20.9
109.10154	8.6
111.04432	1.8
117.07015	8.2
119.08585	7.8
121.06511	5.3
121.10154	11.9
123.11705	4.3
125.05960	1.5
130.07787	1.8
133.10150	1.0
135.08006	2.5
135.11694	34.8
139.07527	1.3
145.10124	20.8
147.11726	2.2
149.13242	1.6
153.12787	1.3
163.11185	47.4
165.12807	1.7
173.09601	1.0
181.12230	10.3
209.11693	3.4
227.12787	100.0
239.23755	3.1
241.17963	1.7
267.15884	1.5
274.12515	1.1
354.17307	1.1
521.38263	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16456	1.0
53.03945	3.3
55.01875	6.4
55.05514	38.1
57.03436	5.9
57.07078	35.0
59.05011	2.1
65.03933	1.3
67.05511	36.3
69.03439	2.5
69.07074	34.3
71.01353	1.2
71.05003	5.2
71.08632	23.1
79.05499	25.7
81.03422	20.2
81.03870	1.6
81.07067	38.4
83.01373	2.0
83.04985	10.3
83.08624	39.4
85.02911	9.5
85.06552	2.8
85.10188	9.8
91.05480	25.6
91.06011	1.6
93.07048	33.6
95.04961	15.3
95.08613	36.6
97.02922	3.6
97.06542	4.6
97.10181	18.3
98.20626	1.9
99.04422	2.2
99.08103	2.0
105.07043	17.8
106.07377	2.4
107.04966	7.4
107.08593	19.4
107.09209	1.7
109.06519	5.7
109.10164	12.0
111.04489	2.6
111.08086	5.7
111.11709	5.6
115.05474	2.2
117.07025	7.9
119.08589	20.2
119.09352	1.3
121.06564	3.5
121.10149	13.7
123.08077	6.7
123.11761	4.1
129.07053	5.3
131.08556	8.1
131.96945	1.2
133.06541	1.4
133.10132	6.7
135.08084	4.1
135.11708	20.7
137.09631	3.7
137.13246	1.8
142.07800	2.6
143.08566	4.2
144.09070	1.4
145.10141	18.6
146.10565	1.7
147.08109	3.4
147.11687	7.0
149.09703	4.1
149.13329	1.4
151.07573	2.8
151.11240	1.6
153.12823	1.5
155.08635	3.2
156.09285	1.6
157.10153	9.3
158.10634	1.3
159.08191	1.4
159.11726	3.6
161.09712	1.9
163.11192	32.9
165.09177	3.6
169.10104	1.6
170.10677	1.8
171.11729	1.7
172.12128	1.4
173.09715	2.5
173.13216	1.4
175.11188	8.0
181.12296	7.7
183.11705	2.1
186.13509	1.2
189.12738	1.5
191.10701	2.2
193.12259	16.4
194.12576	1.3
195.11725	1.5
196.12225	2.2
203.14464	1.6
204.14827	1.5
208.14484	1.4
209.11827	3.4
210.13489	1.9
211.11351	2.3
211.13254	17.3
221.15396	7.2
222.15855	3.1
224.11795	1.8
227.12798	49.7
237.14835	1.6
237.22118	8.4
238.15263	3.0
239.23808	3.4
244.89117	1.2
248.14137	3.2
249.14537	2.9
255.17628	4.1
256.17850	2.6
261.16437	1.4
267.16092	3.1
286.19370	4.1
287.19852	2.0
295.20395	2.7
303.19501	8.5
304.19910	9.8
311.25702	1.4
378.25204	2.0
503.35757	5.2
504.35571	3.3
506.33817	2.3
521.38416	100.0
522.38696	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	521.3478
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
53.03930	1.2
53.13502	1.1
55.01867	1.6
55.05521	8.6
58.24302	1.2
62.99422	1.5
66.93092	1.4
67.05497	3.0
69.07087	2.2
71.49414	1.9
76.59106	1.3
79.05489	5.2
79.19068	1.3
81.07063	9.6
83.08636	4.5
85.02850	1.7
91.05476	11.2
93.07060	13.2
95.04958	3.0
95.08616	12.9
97.06580	2.2
105.07046	19.6
107.04995	2.2
107.08599	13.4
109.06516	2.4
109.10152	4.8
111.08096	2.7
117.07029	4.2
119.04984	3.1
119.08589	22.8
121.06510	3.6
121.10136	11.1
123.08052	3.0
125.09675	1.7
128.06201	1.6
129.07024	2.4
131.08592	9.2
133.06509	3.7
133.10156	11.2
135.08061	4.6
135.11711	5.0
137.05988	13.7
137.09589	3.1
142.07848	1.3
143.08551	6.0
145.10135	9.2
147.04387	4.0
147.08046	3.9
147.11717	6.3
149.05962	2.3
149.09651	3.4
151.07538	4.8
151.11203	1.3
155.08646	2.2
156.09381	1.9
157.10164	6.6
159.11716	7.3
161.06003	1.4
161.09622	4.5
161.13277	5.2
163.03906	1.7
163.07585	2.8
163.11128	1.6
163.14934	1.8
165.05498	1.9
165.12801	1.8
167.07072	7.4
167.10533	1.3
169.10158	2.1
171.11702	4.4
173.13261	13.8
175.07544	2.9
175.11185	2.5
175.14841	18.7
177.16425	2.0
181.08649	1.3
183.11717	2.4
185.13283	15.6
187.14816	5.5
189.12708	2.1
189.16389	2.0
191.14342	14.4
193.15878	1.5
197.13307	2.4
199.14856	5.5
201.12848	1.4
201.16402	3.4
203.14330	26.5
205.15956	2.5
209.13260	1.3
213.16501	1.7
217.15808	2.4
221.15378	13.0
231.13629	1.3
239.16432	12.2
249.14871	5.2
253.19611	1.9
311.88187	1.3
321.11487	1.6
337.14230	1.9
367.15582	1.8
374.18134	2.4
389.26660	3.6
403.24707	8.3
403.29865	3.7
421.25912	100.0
421.30905	5.0
439.31900	4.2
441.34186	1.5
449.30270	2.5
457.26898	2.4
457.33179	43.1
459.34747	5.0
467.31671	1.8
475.34186	9.2
485.32745	3.5
503.33395	9.1
521.34570	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	521.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.5
55.05503	19.6
60.28464	5.6
67.05493	18.8
69.03433	10.7
69.07052	22.7
69.12259	6.1
69.92480	13.2
69.92873	16.0
76.96452	6.2
79.05486	20.7
80.10346	5.6
81.03410	8.3
81.07050	42.3
83.08634	7.4
85.02909	8.5
86.09691	11.3
91.05473	40.6
93.07059	40.5
95.04963	13.3
95.08628	46.7
97.06521	14.7
98.20852	9.8
99.08085	27.6
105.07046	65.4
107.08612	69.5
109.02884	9.4
109.06503	17.9
109.10156	26.6
111.08074	13.3
115.05535	6.7
117.07019	13.8
119.08595	83.8
121.06501	13.3
121.10155	39.4
123.08073	10.5
123.11670	9.5
128.06229	8.4
129.07033	8.5
131.08585	51.0
133.10135	63.3
133.42613	6.5
135.08072	12.1
135.11740	16.9
137.05963	25.0
137.09595	18.2
139.85083	6.3
143.08607	14.8
145.10141	66.5
147.04437	13.4
147.08035	18.5
147.11674	47.4
149.09651	9.9
149.13234	6.2
151.03946	11.6
151.07530	9.3
153.01831	11.0
157.08975	6.0
157.10071	31.9
159.11723	52.6
161.05908	11.3
161.09642	15.1
161.13255	23.3
163.11177	12.5
163.14813	8.8
169.10132	13.4
171.11668	31.5
173.09718	6.9
173.13297	55.8
175.14758	32.0
177.12669	8.4
183.11732	17.2
185.13240	27.6
187.14861	38.4
189.12721	9.7
191.14323	41.7
197.13295	10.5
199.14854	24.9
201.12750	7.6
201.16476	37.7
203.14290	25.6
205.15889	11.9
211.14754	12.0
213.16367	22.7
217.15948	23.5
219.13760	11.3
221.15390	30.7
225.16322	6.4
239.16423	25.9
287.05508	100.0
299.20041	7.5
353.14041	6.5
403.29889	20.8
409.31012	7.2
421.30795	30.0
423.32806	7.8
439.32172	24.6
441.33673	16.3
455.31934	9.1
457.33115	21.5
459.34698	8.9
467.31573	22.6
475.34055	12.3
485.32556	26.1
503.33710	59.6
521.18610	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	521.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	8.3
67.05501	3.4
69.07059	2.2
70.60587	1.8
70.60922	2.2
79.05490	5.0
81.07056	10.8
83.08619	4.4
83.82016	1.0
91.05485	8.2
93.07047	9.1
95.05001	1.7
95.08612	10.1
97.06530	2.6
105.07047	17.9
107.08598	10.9
109.06509	2.5
109.10182	5.0
112.15847	1.1
117.07020	4.5
117.42590	1.2
119.04993	1.3
119.08601	18.8
121.06541	5.0
121.10146	10.2
122.03644	2.4
123.08059	1.8
123.11696	1.5
125.09638	2.1
128.06207	1.9
129.06963	1.3
131.04980	1.3
131.08577	12.9
133.06520	3.1
133.10158	9.2
135.08061	4.2
135.11708	2.0
137.05991	28.0
137.09602	3.6
143.08559	7.3
144.09358	1.2
145.10141	10.0
147.04445	5.4
147.08037	2.9
147.11696	6.2
149.09637	1.7
149.13252	1.1
151.07590	1.8
153.01839	8.5
156.09393	1.4
157.10149	5.8
159.11708	9.3
161.05986	1.6
161.09642	5.1
161.13268	3.8
163.07556	2.2
163.11148	2.1
163.14862	3.4
167.07076	1.5
169.10165	1.6
170.10873	1.5
171.11682	3.6
173.13272	12.2
173.36478	1.3
175.11203	1.8
175.14847	15.9
183.11717	2.3
185.13249	14.2
187.14792	5.8
189.09096	1.1
191.14336	13.6
193.15866	2.3
197.13231	2.1
199.14842	8.3
201.12778	1.5
201.16396	2.7
203.14346	23.1
205.15810	2.0
207.10170	1.1
209.13271	1.6
211.14885	2.3
213.16383	2.6
217.15869	1.7
221.15338	8.1
239.16425	10.7
249.14890	3.3
267.21194	1.4
273.07578	7.5
289.08365	1.2
340.13040	1.5
367.15567	1.3
389.26675	5.1
403.24939	9.7
403.29681	2.4
421.25906	100.0
421.30920	5.0
439.32083	5.0
449.29984	1.4
457.33157	38.6
459.34747	4.8
467.31506	1.7
475.34305	8.5
485.32483	2.9
503.20264	1.7
503.33792	8.0
521.21881	2.3
536.99237	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3481
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
55.05514	12.2
67.05497	5.5
68.95588	1.4
69.03426	1.7
69.07051	5.7
69.14379	13.8
69.14792	2.8
77.03904	1.4
79.05495	7.7
81.07045	13.8
83.04984	3.0
83.08611	5.2
85.02908	1.6
91.05481	13.9
93.07057	18.0
95.04975	3.4
95.08615	12.5
97.06525	2.1
99.08104	2.6
103.05495	2.4
105.07032	20.4
107.04955	2.4
107.08598	18.9
108.01660	1.4
109.06497	3.9
109.10150	8.2
111.08038	2.3
113.42937	1.4
115.05440	2.2
117.07019	6.4
119.04916	3.0
119.08583	20.7
121.06477	4.6
121.10161	12.0
123.08055	3.3
123.11715	2.2
123.59045	1.4
123.62309	1.7
128.06232	1.8
129.06990	4.1
130.07756	1.7
131.04895	2.1
131.08572	19.3
133.06496	4.0
133.10132	15.1
135.08046	6.5
135.11697	3.6
137.05067	1.7
137.05997	16.0
137.09624	3.1
142.07753	1.8
143.08594	9.0
144.09393	1.8
145.02779	1.6
145.10124	17.2
147.04370	3.3
147.08083	1.8
147.11690	9.6
147.88908	1.5
149.06021	2.2
149.09604	3.4
149.13190	2.0
151.07550	2.8
155.08551	4.0
156.09253	2.6
157.10135	10.4
159.08099	2.5
159.11694	13.1
161.06024	2.9
161.09630	5.1
161.13266	6.1
163.11205	2.5
163.14819	6.0
167.07018	3.3
169.10161	2.5
170.11015	1.8
171.11696	7.8
173.13249	22.2
175.03957	4.3
175.07582	1.6
175.11217	1.7
175.14815	15.5
177.05502	3.3
177.12683	2.4
177.16287	1.7
179.08502	1.7
183.11731	4.2
185.09636	1.7
185.13242	13.9
187.11142	1.9
187.14856	8.1
189.12741	2.3
191.14307	18.2
193.15868	2.4
197.13304	2.2
199.11176	2.0
199.14830	6.7
201.12793	1.9
201.16388	6.4
203.14326	23.0
205.15897	2.6
207.06461	6.8
211.14877	2.1
219.17433	3.1
221.15335	6.5
223.17039	1.7
231.13870	2.5
233.15479	1.5
239.16258	2.1
249.14874	3.9
253.19681	1.6
324.21381	1.4
377.73288	1.3
379.15115	1.5
389.26797	6.4
403.24927	14.2
403.29871	2.7
421.25882	100.0
421.30905	4.9
439.32028	5.1
441.33615	1.8
449.30658	1.7
457.33145	49.7
459.34460	4.9
475.34204	10.0
485.19107	2.1
485.32364	4.7
503.20480	1.7
503.34094	8.6
521.20898	3.4
521.34698	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3476
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
53.03948	1.2
55.05519	8.3
57.07074	0.9
67.05504	3.9
67.35836	1.0
69.03427	1.9
69.07056	3.1
70.83287	2.3
79.05488	5.7
81.07066	8.8
83.08617	6.1
91.05494	6.3
91.27319	1.0
93.07054	10.8
95.04986	1.9
95.08616	6.9
97.06539	1.4
103.05502	1.3
105.07035	18.2
107.08597	11.2
109.06508	3.1
109.10191	5.0
111.08100	1.8
117.07030	3.1
117.52843	1.0
119.08595	18.2
121.06518	3.6
121.10126	9.1
123.08089	2.8
123.11720	1.0
129.07036	2.7
131.08571	11.5
133.06496	2.6
133.10152	10.5
135.08064	4.7
135.11708	1.9
137.05966	6.7
137.09608	1.9
139.07623	0.9
143.08586	4.8
145.10112	8.1
147.08061	1.6
147.11711	5.9
149.05937	1.7
149.09636	3.6
149.13239	2.3
151.07564	1.9
155.08620	1.9
156.09358	1.1
157.10156	5.5
159.11700	7.4
161.09657	3.8
161.13295	5.2
163.07570	2.3
163.11200	1.6
163.14862	2.5
165.05450	1.8
165.09221	1.1
167.07047	10.3
167.10780	1.0
169.10158	1.7
170.10918	1.3
171.11696	3.4
173.13269	11.3
175.07492	1.6
175.11159	1.7
175.14841	15.7
177.16316	1.6
183.11691	3.0
185.13275	13.8
187.14867	5.8
189.12708	1.2
189.16469	1.1
191.14304	12.0
193.15910	1.8
197.13310	1.7
199.14877	5.7
201.16431	4.6
203.14311	24.5
205.15857	1.5
207.09981	1.1
211.14810	1.5
213.16412	1.6
215.17831	1.1
217.15919	2.5
221.15369	9.2
223.14876	1.1
225.16472	1.2
229.15746	1.0
233.15479	1.2
239.16330	11.4
245.15454	1.2
249.14793	5.5
253.19470	1.9
255.21378	1.0
259.84372	1.1
299.20111	1.0
389.26956	4.1
403.24792	10.4
403.29919	2.7
409.31091	1.5
421.25882	100.0
421.30869	5.7
422.26221	1.8
439.32071	3.7
449.30441	1.6
457.33176	42.2
458.33588	1.1
459.34860	5.1
467.31708	2.8
475.34454	8.5
485.32623	4.1
503.33694	9.0
521.21490	1.3
521.34711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78585	3.5
55.05494	7.3
60.92620	3.5
67.05515	7.3
69.07073	11.6
71.23627	5.1
79.05492	9.8
81.07069	25.5
83.08632	7.1
91.05474	14.3
93.07059	25.5
94.07413	3.5
95.08604	28.6
97.06528	8.7
99.08090	21.0
105.07033	57.6
105.62663	3.5
107.08601	39.2
109.06498	4.5
109.10152	33.8
117.07033	8.1
119.08604	50.2
121.06487	4.6
121.10168	37.1
123.08018	5.2
123.11718	8.3
128.06200	8.0
129.06984	7.4
131.04977	8.6
131.08594	36.3
133.10126	38.9
135.08025	5.5
135.11720	10.8
139.07578	10.8
141.06990	4.2
143.07533	6.4
143.08586	96.3
143.09711	4.8
145.10133	46.2
147.08081	22.4
147.11700	21.6
149.05988	25.9
149.09616	5.6
149.13298	10.9
151.11205	5.4
155.08601	5.0
156.09384	5.1
157.10126	12.9
159.07964	4.6
159.11691	19.7
161.13269	14.2
163.11214	10.0
163.14874	13.3
169.10110	5.1
171.11751	12.0
173.13269	50.7
175.11246	5.5
175.14868	13.1
176.20995	3.8
177.12802	4.6
177.16368	18.4
179.08435	3.9
183.11713	16.8
185.13287	15.9
187.14838	51.7
188.15146	5.1
189.12819	3.7
189.16461	7.0
191.14371	8.4
197.13240	13.7
199.14816	9.6
201.12769	15.6
203.14293	7.3
205.15865	67.0
211.14835	4.3
213.16414	5.1
215.14362	4.3
218.38800	4.1
219.13766	41.4
219.15337	3.6
223.14726	6.0
223.16913	81.1
223.18961	5.5
225.16615	4.5
233.15439	4.4
243.13879	5.8
265.14371	4.6
267.17529	4.4
299.78918	3.8
331.24152	6.2
349.25250	6.1
380.89380	4.1
385.27759	9.1
403.29929	12.0
411.32751	4.2
421.31052	26.4
439.31982	37.6
441.33789	4.2
449.30423	4.7
457.33167	100.0
458.33289	9.8
467.31967	6.7
485.32452	8.8
493.19876	4.1
503.33679	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	521.3478
Annotation	Linoleic Acid-biotin
Peak:m/z	Relative Intensity
52.28303	4.8
55.05514	7.7
64.00997	4.6
67.05512	29.5
69.07065	16.4
71.50733	7.5
76.24783	5.8
79.05496	13.4
81.07072	36.5
91.05486	20.0
93.07050	29.1
95.08633	33.5
97.06546	11.5
99.08103	25.7
105.07036	45.5
107.08604	47.1
109.06528	13.0
109.10175	33.7
111.08081	6.0
117.07022	9.4
119.08596	43.9
121.06498	7.5
121.10155	37.6
123.11686	13.1
131.08571	33.1
133.10156	43.0
135.08038	9.0
135.11688	16.8
137.09698	6.3
143.08563	59.6
143.82939	4.4
145.10130	37.2
147.11679	27.8
149.09660	7.2
149.13298	11.0
151.11185	8.5
157.10156	18.9
158.10968	5.1
159.11736	34.8
161.09676	14.2
161.13293	13.8
163.11205	6.0
163.14822	10.7
169.10158	10.0
171.11705	15.3
173.13278	21.8
175.11055	6.0
175.14874	20.8
177.12782	9.5
177.16411	14.7
178.16823	9.2
179.10725	11.4
183.11768	16.2
185.13243	23.9
187.11169	5.1
187.14807	33.6
191.14319	6.9
197.13332	16.0
199.14819	11.9
201.12781	16.1
201.16393	9.6
203.14435	14.2
205.12108	5.0
205.15782	33.3
211.14864	11.1
213.16368	7.5
217.16040	5.7
219.13844	22.5
221.11720	17.6
223.15076	6.8
223.16878	33.6
227.17937	7.4
237.16295	6.3
243.17390	8.3
245.19151	8.3
269.19141	6.7
349.25159	10.9
367.26422	6.0
403.29810	12.2
421.31009	24.6
438.90567	5.0
439.32178	35.5
449.30273	15.0
451.18054	5.2
457.33179	100.0
467.31616	8.7
475.34067	13.6
485.32889	24.7
495.16501	5.9
503.33792	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	521.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.7
56.24149	5.5
56.97023	5.5
63.10373	5.3
65.81279	6.1
67.05502	20.2
69.07055	8.7
69.33701	33.8
69.34122	16.5
71.73177	6.0
78.48776	5.8
79.05508	14.2
81.07053	32.8
83.08631	12.6
91.05496	23.0
93.07054	35.8
95.08616	28.1
96.50738	5.5
97.06561	8.9
98.20792	14.4
99.08083	22.0
105.07041	65.3
107.08598	45.4
109.06506	12.6
109.10178	21.0
117.07016	12.0
119.08596	52.7
121.10187	33.1
123.08117	8.9
123.11756	6.5
125.05986	11.8
125.24892	7.9
131.04927	11.4
131.08591	35.6
133.10147	37.6
135.08150	7.7
135.11708	16.3
139.07544	9.3
143.08571	72.4
145.10118	36.4
147.08061	16.5
147.11713	23.3
149.05975	17.4
149.09650	11.3
149.13274	19.1
150.20198	7.4
155.08525	6.4
157.10150	20.7
159.11703	28.0
161.09615	11.8
161.13318	17.0
163.14836	18.4
169.10135	7.0
171.11685	10.7
173.13274	52.4
175.14780	16.7
177.16415	25.8
183.11708	11.7
185.13303	23.1
187.14798	38.2
189.16383	9.6
191.14290	15.1
197.13185	11.0
199.14877	11.0
201.12740	15.3
205.15858	67.4
206.16322	6.7
213.16251	7.9
215.14243	11.5
217.15901	7.0
219.13834	60.5
221.11824	6.6
223.16885	42.0
224.17258	6.9
243.13855	10.3
331.24167	8.8
367.26331	7.5
385.27310	7.9
403.30060	10.2
411.32849	6.2
421.30960	7.1
439.32068	43.7
441.33820	7.8
444.32635	6.2
457.33142	100.0
467.31161	10.7
472.32550	6.1
485.32599	12.9
486.33090	12.6
503.33466	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	521.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01895	2.1
57.03442	1.7
69.03424	5.4
70.47768	5.0
79.05520	2.4
79.79037	1.6
81.07083	2.0
84.08109	1.7
85.02927	10.2
87.68257	1.5
91.05480	7.5
94.04185	2.6
97.02885	3.1
103.05485	54.6
105.07040	2.5
107.04944	2.9
109.06496	2.6
115.05465	3.5
117.07071	2.1
119.04958	5.3
121.06512	3.5
122.03673	5.4
122.38322	1.6
127.03866	1.8
131.04945	100.0
133.06516	2.6
135.04445	2.0
135.08052	1.9
137.05992	78.2
143.05005	2.0
145.02882	2.4
145.05086	1.9
145.06519	2.1
147.04419	6.9
149.05991	4.8
151.07530	4.9
153.01801	2.4
160.05309	1.9
161.05997	13.5
162.06787	2.7
163.03911	4.6
163.07567	59.4
174.06715	1.7
175.07562	12.8
177.05486	2.4
177.09192	4.0
178.07722	1.8
179.07085	4.5
179.08527	2.1
187.07559	4.7
189.07315	2.0
189.09154	5.8
190.07738	2.4
191.07088	1.9
191.08617	8.0
191.10616	2.1
193.85867	1.8
194.07271	4.8
199.07510	3.6
205.06578	3.2
207.08159	2.8
219.08183	9.9
219.10004	2.8
220.08839	3.6
222.06783	2.7
232.91658	1.7
235.07649	3.2
236.08476	2.8
237.09152	2.3
247.07555	4.6
248.08264	4.0
249.09047	1.9
251.10796	5.0
253.09421	1.7
264.08041	2.8
265.08621	14.3
279.10107	13.9
280.10934	2.1
281.98221	1.9
291.10144	3.3
295.09790	2.9
297.11206	9.5
299.12787	7.4
299.77097	1.9
310.12109	2.8
311.12811	21.7
313.14532	9.4
319.45544	1.7
323.12885	4.9
325.14410	4.2
341.13922	12.2
495.47348	2.0
521.17383	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	521.3478
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
55.05507	12.3
67.05518	10.5
69.07060	7.8
70.61880	19.7
79.05498	16.3
81.07055	23.6
81.29659	7.7
85.06577	6.9
91.05463	22.1
93.07049	37.1
95.04974	8.6
95.08612	18.1
98.30985	7.2
99.08102	9.5
105.07034	28.4
106.61474	7.4
107.08591	27.6
109.10162	9.2
117.06989	12.4
119.08607	35.2
121.10168	32.6
123.08127	8.1
129.29167	7.5
131.08575	25.4
133.06551	8.4
133.10136	30.1
135.11700	16.0
137.05002	7.1
143.08586	12.5
145.10129	28.4
147.11685	19.0
148.18512	7.3
149.09621	11.0
151.11197	15.6
153.01831	8.6
157.10135	13.4
159.11743	14.2
161.13374	9.5
166.25813	7.7
169.92641	9.4
171.11731	12.2
173.13254	26.8
175.14815	22.4
177.16374	8.3
183.11604	10.7
185.13226	46.3
187.14841	26.3
191.14330	14.4
196.65088	7.1
197.13264	10.0
199.14778	25.0
203.14371	49.1
207.06532	9.4
215.14388	7.6
223.16905	10.9
227.12509	7.9
239.16359	13.3
249.14888	19.8
348.72638	8.0
421.30835	9.3
439.31955	26.1
449.30896	9.5
457.33075	100.0
467.31335	11.0
485.32620	14.0
503.33652	55.9
519.95148	8.3
521.27155	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	520.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48513	7.4
55.05503	11.5
60.29974	6.0
67.05501	12.0
69.07037	9.5
71.50289	10.2
79.05499	12.2
81.07062	18.1
90.15771	7.5
91.05482	13.4
93.07045	27.1
95.04961	6.8
95.08599	24.8
97.06490	11.5
99.08095	84.2
105.07030	27.9
107.08598	43.0
109.06552	6.8
109.10145	19.9
119.08595	37.7
120.08910	17.8
121.10134	23.8
127.07558	71.5
131.08554	21.5
133.10127	28.6
134.10442	7.9
135.08044	8.0
135.11732	9.9
145.08629	11.7
145.10077	25.0
147.08003	7.0
147.11676	17.4
157.10036	14.1
159.11678	11.5
161.09584	8.7
161.13261	10.2
162.09947	6.8
163.14748	6.8
171.11705	9.0
173.13249	23.6
174.13556	9.5
175.14903	14.5
181.00206	7.2
185.13245	8.5
187.14825	24.3
188.15117	10.3
189.12717	8.3
203.14220	12.2
204.14674	8.7
205.15846	21.4
213.16457	6.5
233.15378	10.2
309.58371	7.4
313.25400	8.1
402.28937	9.1
406.66956	8.0
420.29758	13.7
438.30765	17.4
439.31802	9.1
456.31827	21.3
457.33228	100.0
466.30154	31.0
484.31223	27.5
494.68823	8.4
502.32458	47.7
520.34003	33.9
520.40179	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17337	3.9
67.05516	11.0
69.07044	3.9
69.16422	6.7
69.16817	37.4
72.59791	3.8
79.05482	8.8
81.07050	15.5
91.05483	5.6
91.62669	4.0
93.07066	9.0
95.08067	4.3
95.08613	19.3
99.08117	11.9
105.07044	14.0
107.08590	22.4
109.10153	18.4
119.08589	43.1
121.10184	17.1
126.15542	3.6
131.08566	13.6
133.10144	29.8
135.08073	12.2
135.11690	7.6
143.08604	5.7
145.10155	42.3
147.11697	11.5
149.09564	4.7
157.10153	6.3
159.11714	16.1
161.09575	7.0
163.07574	16.6
163.11273	4.1
163.14844	5.9
164.34795	4.4
171.11714	9.7
173.13298	23.9
175.14873	5.3
177.16443	11.6
185.13327	6.5
187.14825	100.0
189.16354	25.5
191.14333	10.5
197.13313	6.0
201.16489	4.1
203.14268	4.7
205.15904	43.9
207.17506	8.0
215.14336	10.9
223.16933	25.4
233.15344	39.3
251.16394	30.7
270.18860	4.2
361.25079	4.1
421.31213	11.4
439.32172	31.1
457.33173	38.1
467.31757	6.3
485.32614	9.7
503.33978	19.4
506.91907	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	520.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.05039	0.7
58.06612	0.4
59.07390	0.2
60.08165	6.3
67.05509	1.3
69.07059	0.5
71.07373	3.2
71.50223	0.3
79.05493	0.6
81.07062	1.4
83.08630	0.5
84.19565	0.2
86.09710	34.0
91.05485	0.3
93.07054	1.1
95.08618	2.0
97.06514	0.3
98.98477	3.2
99.08073	1.4
101.14758	0.2
104.10744	3.3
105.07047	0.8
107.08593	1.1
109.10172	0.5
111.08083	0.5
119.08589	1.3
121.06509	0.2
121.10172	0.9
123.08067	0.2
123.11719	0.3
125.00011	25.4
127.07554	0.6
131.08633	0.3
133.10135	0.9
135.08066	0.3
135.11728	0.3
143.08568	0.2
145.10114	0.6
147.11665	0.4
149.13286	0.3
157.10173	0.3
159.11676	0.6
161.09657	0.2
161.13235	0.3
168.04361	0.2
171.11772	0.3
173.13255	0.3
177.16423	0.3
178.64595	0.2
184.07349	100.0
185.07709	0.6
185.13287	0.4
187.14824	0.8
193.87961	0.2
201.12721	0.3
201.16179	0.2
205.15852	0.9
215.14279	0.2
223.16913	0.8
233.15294	0.4
241.41127	0.2
276.47208	0.2
285.92596	0.2
421.30865	0.5
439.26694	0.2
439.32169	3.9
457.33243	2.0
467.31528	0.3
485.32678	0.2
502.33008	1.0
503.33582	1.0
520.33618	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05502	1.2
55.96086	0.3
56.05038	1.7
57.03435	0.4
58.06588	1.9
60.08166	18.2
67.05502	3.4
69.07069	1.4
69.39533	1.4
69.39967	1.2
71.07377	7.4
78.42844	0.3
79.05505	0.6
80.36658	0.3
81.07059	2.6
83.08595	0.3
86.09711	51.5
91.05487	0.5
93.07027	0.8
95.08630	1.6
96.71305	0.3
98.20857	0.7
98.98483	3.9
104.10748	100.0
109.10136	0.5
125.00009	27.9
163.01591	0.5
166.06328	0.4
184.07350	98.2
185.07707	0.4
216.07365	0.3
258.11084	1.1
267.71710	0.4
337.27402	1.2
502.32977	8.3
520.34015	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25877	0.1
52.72929	0.1
56.05042	0.6
58.06382	0.2
58.06633	0.4
60.08167	5.9
64.85588	0.1
67.05511	0.5
69.07082	0.3
69.55654	0.7
69.56068	0.3
71.07378	3.1
75.75243	0.1
77.23168	0.1
81.06652	0.1
81.07045	0.8
84.30754	0.1
86.09709	30.3
93.07056	0.1
94.02468	0.1
95.08602	0.5
98.98473	3.2
104.10752	2.8
105.07056	0.2
125.00010	22.4
146.18994	0.1
150.74782	0.1
184.07349	100.0
185.07733	0.4
214.93103	0.2
245.72060	0.1
258.10843	0.2
266.16733	0.1
278.25174	0.2
282.39743	0.2
337.26950	0.2
396.31891	0.1
439.31827	0.3
502.33121	0.8
502.39316	0.2
520.33856	1.5
547.72668	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	519.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29744	1.4
53.03937	5.2
53.12626	1.2
54.56408	1.3
55.01863	4.9
55.05272	2.0
55.05515	28.1
57.03438	11.8
57.07067	6.1
65.03931	4.2
67.05508	85.1
69.03417	4.7
69.07072	21.5
71.05013	6.6
71.08637	2.3
79.05499	43.3
81.02946	1.4
81.03424	47.9
81.07060	100.0
83.04990	11.7
83.08155	2.2
83.08622	27.0
85.02911	25.4
85.06541	3.4
85.10155	1.6
91.04911	2.2
91.05480	43.6
91.30040	1.4
93.07055	28.7
95.04972	22.1
95.08619	41.8
97.02911	2.9
97.06526	7.2
97.10168	5.9
99.08102	7.9
105.07034	29.4
107.04945	4.8
107.08593	13.8
109.06551	3.8
109.10173	15.6
111.08089	10.3
113.09672	1.3
115.05466	1.7
117.07043	3.1
119.08584	23.3
121.06516	2.0
121.10144	15.5
123.08082	3.9
123.11704	14.9
125.09644	5.4
127.07473	1.4
129.07047	9.7
131.08575	12.2
133.06462	2.0
133.10121	13.9
135.11710	8.4
137.09618	2.1
137.13255	2.8
142.07843	2.2
145.10164	4.9
147.08058	2.8
147.11690	14.4
149.09631	3.7
149.13303	4.1
151.11110	1.7
153.12802	1.9
157.10129	10.3
159.11719	1.8
160.44165	1.3
161.13269	4.5
161.27856	1.3
163.11169	2.1
165.12776	1.9
175.11215	9.3
175.14859	3.3
185.13287	2.0
189.11276	1.7
193.12260	48.0
197.06532	1.5
209.11717	2.1
211.13298	52.4
217.19531	4.4
227.12712	1.8
235.20622	3.7
267.15939	5.2
268.97360	1.5
285.16968	4.7
291.23462	1.4
309.24240	3.7
381.22070	1.6
382.28452	1.3
396.43945	1.4
409.31293	2.1
427.31851	2.1
445.33371	2.5
501.35565	10.0
519.36847	88.8
520.36957	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	520.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14152	0.4
53.03944	0.8
69.03425	1.9
69.78274	1.7
70.06586	0.5
79.01850	2.6
81.03426	3.8
85.02930	1.8
86.09735	0.4
97.02895	2.0
99.04480	0.6
107.01322	0.9
109.02914	2.0
120.08166	0.4
122.03723	0.4
123.85085	0.3
125.02368	1.5
127.03925	2.0
132.04456	8.1
137.05988	4.5
138.06342	2.3
143.03357	2.8
147.04424	0.4
151.03957	0.8
151.07545	0.9
153.01842	59.9
153.02896	3.3
154.02177	0.5
160.03917	1.3
163.03949	0.5
171.02879	2.6
175.82056	0.4
178.05005	60.7
179.05359	0.9
187.10646	0.5
206.04497	100.0
207.04855	1.1
221.06442	0.4
271.06113	0.4
297.06085	6.0
315.07059	2.0
328.12665	0.5
358.13635	0.6
368.09659	0.7
520.10596	1.6
520.18567	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3319
Annotation	Presenegenin
Peak:m/z	Relative Intensity
52.06325	7.5
53.76206	7.3
53.86928	8.4
55.01880	8.5
55.05264	10.7
55.05509	98.8
57.07071	8.9
60.18231	6.5
66.42918	7.3
67.05494	34.1
69.07076	9.1
69.68498	44.9
73.04724	8.9
79.05486	30.1
81.07057	41.9
83.04977	8.7
83.08628	91.5
91.05475	31.1
93.07051	55.8
95.08614	69.1
98.89986	8.0
99.08099	25.3
105.07036	60.4
107.08588	75.5
109.10150	41.5
117.07040	16.8
119.08585	100.0
121.10179	54.2
121.69953	7.1
123.08073	13.5
123.11726	11.6
129.07060	10.3
131.08553	41.2
133.10114	85.6
135.08005	14.0
135.11684	32.7
137.09619	15.7
141.07011	11.6
143.08565	31.0
145.10153	56.1
147.08038	13.0
147.11662	27.9
149.09641	11.6
149.13275	18.3
151.07526	8.3
151.10991	9.4
154.66960	8.0
155.08521	13.5
156.09337	8.4
157.10101	33.6
159.08083	17.1
159.11697	47.0
161.09608	19.3
161.13246	21.9
163.07568	9.9
163.11168	11.6
163.14778	13.8
165.12825	7.6
167.08543	7.9
169.10112	24.2
171.11699	26.9
173.13275	53.6
175.11243	13.3
175.14799	27.1
177.12686	10.4
177.16426	9.8
181.10124	10.2
183.11662	26.0
185.13232	21.4
187.11162	16.7
187.14857	42.8
189.12778	10.5
189.16322	12.0
191.14363	16.2
195.11710	14.0
197.13240	18.7
199.11215	17.6
201.12767	16.3
201.16348	10.2
203.10709	8.6
203.14362	18.3
205.15849	38.3
209.13200	13.3
211.14845	21.8
213.09053	14.5
213.12781	12.8
215.14328	17.7
217.15776	9.0
219.13879	7.4
223.14934	8.9
223.17015	11.6
225.16298	8.4
227.14365	9.3
233.15323	13.0
251.18123	11.4
278.89780	7.1
319.20331	9.9
321.22101	9.5
337.21405	10.7
347.19870	11.2
353.21082	16.9
363.23325	9.7
365.21082	48.0
371.22049	12.8
383.22113	35.0
401.23422	17.8
401.28171	11.8
407.29251	8.8
409.31110	10.0
419.29391	34.9
437.30661	41.9
447.29138	37.1
455.31720	45.2
465.30020	67.0
473.32428	27.1
483.31198	72.2
501.32172	83.2
519.32831	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.05496	1.1
65.03944	1.1
67.05495	2.5
69.03430	1.2
69.07061	2.0
70.84451	2.8
79.05499	5.0
81.07049	4.5
85.02891	1.9
90.20552	0.9
91.05479	10.0
93.07041	4.0
94.04186	3.7
95.04976	1.3
95.08604	4.0
95.57361	1.0
97.06567	1.7
103.05458	2.5
105.07033	10.1
107.04941	4.3
107.08607	6.9
109.06520	3.9
111.04434	1.6
115.05453	1.8
117.07005	1.4
119.04938	8.1
119.08562	8.7
121.06495	2.6
121.10153	3.5
122.03656	9.2
123.08058	1.2
123.11679	1.2
125.05984	1.8
128.06198	1.6
129.06985	2.6
131.04916	3.6
131.08571	6.9
133.02834	3.0
133.06505	2.3
133.10144	5.8
135.04422	1.0
135.08072	2.3
135.11725	2.0
137.05989	100.0
137.09558	1.8
143.08533	2.4
144.05617	1.1
145.06540	1.1
145.08728	0.9
145.10092	4.6
147.04417	17.7
147.08058	2.4
147.11687	3.5
149.05923	2.7
149.09590	2.9
151.03906	4.2
151.07578	6.6
155.08549	1.4
157.06479	1.9
157.10081	3.1
158.07283	1.3
159.08054	2.3
159.11690	6.0
160.05167	1.8
161.05991	11.3
161.09663	2.0
161.13240	2.7
163.03889	1.6
163.07521	4.1
163.14751	1.2
165.05533	1.7
165.06987	1.3
167.07071	6.8
169.06506	1.1
171.08057	2.1
171.11688	2.5
172.05220	1.9
173.13301	4.5
175.07599	6.4
175.11186	1.6
175.14810	2.3
177.05455	3.3
177.09108	1.3
179.07050	1.8
181.06418	1.2
183.11673	2.2
185.13278	2.9
186.06816	1.0
187.07529	7.6
187.11279	1.1
187.14755	1.7
189.07103	1.1
189.09155	2.2
189.12717	1.4
190.07822	1.0
191.07036	3.7
191.08609	1.1
191.14236	2.7
194.07355	1.3
197.13228	1.4
198.06734	1.0
199.07545	2.6
199.14764	1.9
200.08165	1.1
201.09106	1.8
201.12891	1.5
202.07661	1.1
203.06967	2.0
203.14420	4.5
205.06656	1.4
205.15929	1.0
211.07568	4.0
213.09103	2.9
215.06822	1.2
215.08675	1.3
215.14282	2.0
216.09315	1.1
217.08588	2.0
217.15894	2.2
218.07179	1.1
219.08070	1.8
221.09561	1.2
221.15405	3.2
225.09143	1.9
231.08047	3.5
232.08789	1.4
233.09642	2.5
234.06731	1.8
235.07596	1.8
235.17015	1.2
237.08960	1.1
239.07002	1.1
239.16333	1.2
241.08696	2.4
244.08900	2.2
246.06775	1.8
247.07608	1.7
248.08214	1.8
249.09090	3.6
251.06956	1.7
253.08508	1.5
259.07504	1.6
260.08392	1.7
261.09061	5.5
263.07117	1.7
263.10617	1.2
263.16388	1.1
264.07852	1.4
265.08618	3.6
271.07550	2.0
272.08209	3.0
273.09073	1.7
275.07074	1.4
275.10690	3.5
277.08618	7.8
278.09381	2.0
279.06711	1.0
279.10123	2.2
281.11728	1.4
283.09857	1.9
284.08188	1.3
285.08810	1.6
285.11548	1.4
287.07062	1.0
287.10690	2.6
288.07861	1.4
289.08447	4.5
290.09476	1.9
291.10266	3.0
292.10938	1.2
293.08316	1.8
293.11639	2.1
295.09583	2.4
297.11166	3.9
299.06274	2.2
300.07730	2.1
301.08405	2.2
303.10187	5.4
304.10965	1.2
305.08209	1.2
307.09613	1.8
308.10852	1.3
309.11258	3.7
311.12564	1.5
314.09512	1.3
315.10071	4.4
315.12988	1.4
316.10828	2.4
317.08176	1.9
317.11810	1.4
320.10541	4.2
321.11203	4.9
323.12814	4.7
325.10773	1.3
331.09723	1.5
332.10355	4.8
333.11298	2.8
335.12894	15.4
339.12161	3.0
345.11191	1.6
347.12799	16.3
351.12549	1.2
353.13824	1.2
357.13290	1.5
359.12723	2.0
365.13910	12.3
377.13696	3.9
395.14896	5.2
401.28064	1.1
407.12997	1.4
419.29480	1.6
436.12875	1.5
437.30710	1.9
439.15448	2.5
439.31873	1.8
448.15088	6.3
451.15417	1.6
453.30017	3.8
455.31439	1.3
459.18106	1.3
465.29926	3.9
471.17920	4.4
473.32541	3.6
483.17908	3.9
483.31180	5.8
489.19214	3.2
501.19168	11.5
501.31439	1.8
519.18817	19.9
519.33112	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	519.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
55.05495	1.9
67.05501	2.7
69.03437	1.4
69.07067	1.5
69.67101	5.9
79.05491	3.9
80.69804	1.0
81.03417	1.5
81.07038	5.1
91.05476	9.9
93.07059	6.6
94.04193	4.3
95.04996	1.5
95.08615	4.6
97.06554	1.2
98.20783	1.5
99.08100	2.5
103.05473	2.3
105.07039	12.1
105.85256	0.9
107.04954	4.2
107.08584	6.2
109.06523	4.0
109.10156	1.6
111.04410	1.3
115.05438	1.6
117.07008	2.7
119.04918	5.5
119.08591	11.7
121.06501	1.4
121.10166	4.6
122.03681	8.7
123.08099	1.8
123.11670	1.4
125.05994	1.4
128.06219	1.0
129.06992	3.1
131.04898	5.1
131.08586	8.4
133.02847	1.9
133.10139	4.7
135.04407	1.0
135.11765	1.4
135.49136	1.0
137.05983	100.0
143.04910	1.7
143.08577	3.5
144.09337	1.1
145.06517	2.3
145.10153	4.9
147.04434	6.9
147.08064	3.3
147.11696	4.2
149.06058	6.2
149.13277	1.5
151.03929	4.5
151.07582	6.1
155.08586	2.3
157.06526	1.7
157.10136	2.6
159.08134	1.3
159.11716	5.1
160.05225	1.9
161.06009	11.4
161.09666	2.4
161.13281	3.1
163.07567	2.6
163.14856	1.6
165.05574	1.4
165.06937	1.1
167.07065	2.2
169.10126	1.4
171.11723	1.7
173.13260	9.1
174.06775	3.2
175.07512	7.2
175.11189	1.2
175.14828	3.8
177.05486	6.1
179.07074	1.9
183.11749	1.7
185.13283	3.1
187.07520	6.9
187.14861	3.3
189.09091	4.4
189.12805	1.1
191.07033	3.8
191.14322	9.3
198.06891	1.7
199.07611	2.5
199.14796	1.2
201.09164	1.8
201.12791	2.6
202.07710	1.2
203.14334	6.6
205.06567	1.8
205.08545	1.6
211.07600	5.7
211.14743	1.3
213.09077	3.6
213.12758	1.1
215.08725	1.5
215.14285	1.0
217.06689	1.4
217.08646	3.4
219.08142	1.6
219.13792	5.3
221.06071	1.3
221.15414	3.9
223.07626	1.4
225.09140	1.3
227.06990	2.3
229.08380	1.2
231.08121	1.8
232.08885	1.4
233.06070	1.2
233.09605	2.4
235.07483	2.2
237.09151	2.0
239.16422	14.3
241.08562	6.6
243.07961	2.0
244.08792	1.4
245.09624	1.5
246.06635	1.2
247.07509	1.7
248.08214	1.1
249.09158	3.5
251.06958	2.5
256.08899	1.5
257.09802	1.3
259.07443	1.9
260.08527	2.0
261.09106	5.0
262.09744	1.1
263.07016	4.3
263.10428	1.2
264.07794	1.9
265.08578	2.9
267.10251	1.8
269.07999	2.8
270.08911	3.8
271.07401	2.2
271.09885	1.3
272.08319	2.2
273.09158	1.9
274.09882	1.0
275.06992	1.1
275.10675	4.0
277.08624	5.5
278.09280	2.1
279.06592	1.3
279.09866	1.2
280.07327	2.0
281.11746	1.6
283.09616	2.5
284.08252	2.4
287.10760	2.7
289.08578	5.3
289.11844	1.8
290.09412	1.8
291.10214	3.3
292.07327	1.9
293.07977	1.8
293.11707	2.7
294.08902	3.0
295.09662	3.5
297.11176	3.0
299.06467	1.7
300.07947	2.3
301.08606	4.2
303.10275	3.0
304.10855	1.1
305.08063	3.1
305.11496	2.0
306.09012	1.2
307.09445	5.4
309.11206	3.8
312.08038	1.2
315.09665	5.1
316.10992	1.5
317.08276	1.7
317.11777	1.7
319.09708	2.4
320.10577	3.7
321.11264	8.0
322.11984	1.5
323.12860	3.7
325.10764	2.7
327.09882	1.8
331.09763	2.9
332.10596	4.8
333.11328	3.0
335.12790	9.2
338.09656	1.1
339.12234	3.1
341.07809	1.3
342.09061	1.4
343.09543	1.2
344.10413	1.8
345.11273	2.3
346.12018	2.1
347.12897	15.4
354.08755	1.2
355.09604	1.8
359.12830	1.8
365.13934	14.1
371.09030	2.1
372.09689	1.3
377.14026	6.5
379.13684	1.3
383.08795	1.6
384.09879	1.3
385.10745	1.9
386.11496	2.7
387.12253	3.4
395.14917	8.6
398.11194	1.3
399.12326	3.4
414.10919	1.7
415.11646	6.0
417.13562	2.1
418.13812	1.8
419.24274	1.2
419.29440	1.6
429.13254	6.7
430.14212	5.3
437.30841	1.8
439.15237	2.1
443.14908	1.4
448.15192	35.9
449.15924	7.0
451.15115	1.5
455.31729	2.0
457.16180	1.2
458.17270	1.3
461.15622	5.6
471.17926	3.5
473.32724	11.3
483.17990	3.1
487.17563	5.9
489.19336	2.7
501.19089	16.3
501.31567	2.0
519.20276	19.0
519.32684	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	519.186
Annotation	Simplexoside
Peak:m/z	Relative Intensity
53.03938	0.7
55.01867	0.6
57.03436	0.4
60.75702	0.3
60.86834	0.3
61.02929	0.5
65.03932	0.4
67.05499	0.5
69.03432	2.2
70.58401	1.0
78.80008	0.3
79.05494	0.7
81.03412	1.2
81.07060	0.6
84.08144	0.9
85.02919	3.0
91.05479	1.2
93.07053	0.5
94.04180	2.2
95.04964	0.6
97.02895	1.5
99.04442	0.4
105.07042	0.8
107.04964	1.0
109.06526	0.4
115.05470	1.2
117.07018	0.9
119.04964	0.3
122.03651	6.5
123.04481	0.3
127.03925	0.7
129.06992	0.5
129.10217	0.3
131.04953	0.8
133.06601	0.3
135.04417	0.5
137.05986	100.0
138.06334	1.0
143.04929	6.5
145.06532	0.9
147.04388	0.5
149.05978	0.5
151.03922	15.9
151.05034	1.4
151.07530	0.5
161.06001	1.3
163.03882	0.4
163.07545	0.5
167.07030	0.7
175.07568	3.1
177.05440	0.4
179.06987	0.4
187.07544	0.9
191.07080	0.7
201.08942	0.4
203.07043	2.5
204.06540	0.4
205.08516	3.0
217.08626	0.5
218.07260	0.4
233.09547	0.4
235.07483	0.4
237.09039	0.4
264.01886	0.3
265.08502	0.7
272.48346	0.3
277.08517	0.5
279.10361	0.5
295.10025	0.4
297.11151	0.4
299.06134	0.5
299.96292	0.3
303.10159	0.4
309.11169	0.9
315.09912	0.3
320.10318	0.4
321.11197	0.8
327.12305	14.8
335.12985	0.6
339.12350	1.2
347.12775	0.9
357.13354	9.8
357.23697	0.7
365.13922	1.0
397.74887	0.4
399.63925	0.4
448.15259	1.2
489.18210	0.6
501.18674	0.9
519.18646	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64762	4.4
55.01860	5.1
55.05522	45.8
57.03437	14.0
57.07068	20.6
57.28110	4.7
67.05507	39.7
69.07065	21.5
69.36594	39.8
71.08621	15.5
76.67249	4.8
79.02495	4.9
79.05492	22.8
80.76841	4.7
81.07063	37.4
83.08622	27.8
85.06573	5.8
85.10192	9.2
91.05463	9.4
93.07025	13.3
95.08598	34.4
96.08927	5.8
97.10181	68.4
107.08586	18.0
109.10162	12.3
121.10109	6.1
123.11693	5.7
125.09636	51.0
135.07994	5.8
135.11644	9.4
172.54932	5.4
189.11215	34.6
227.12799	100.0
245.13873	83.0
253.38341	4.7
313.27390	84.3
353.82129	4.7
483.36835	61.3
518.22577	8.4
518.39227	30.8
519.36584	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	519.186
Annotation	Simplexoside
Peak:m/z	Relative Intensity
58.08792	0.7
67.05512	0.8
69.03429	1.0
71.34150	0.5
71.49727	1.0
73.04758	0.8
79.05524	0.6
80.04199	0.7
81.03418	1.7
83.54782	0.6
85.02917	1.8
91.05457	1.1
94.04179	2.5
97.02905	1.2
100.67215	0.6
109.02908	1.1
115.05471	1.4
117.07099	0.8
121.06612	1.0
122.03652	5.7
137.05997	100.0
143.04958	5.8
144.04445	0.9
147.04350	1.1
151.03943	13.2
151.05043	1.2
161.06027	2.3
163.03900	1.0
163.07541	0.8
166.08649	0.7
172.03952	3.9
175.07607	2.2
177.05586	1.0
179.05484	0.8
179.07077	2.4
190.05055	1.6
203.07022	4.2
204.06577	8.9
205.08664	2.6
206.04562	1.1
219.08131	0.8
264.07922	0.9
271.06070	1.0
299.06223	0.8
315.33081	0.7
321.11398	0.9
327.12329	8.4
335.13028	0.8
357.13388	38.3
358.13971	0.6
374.98361	0.7
458.27884	0.6
487.17200	0.8
519.18860	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	518.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.7
69.03432	0.4
69.79025	1.7
85.02898	0.9
91.05492	5.5
91.57122	0.4
97.02895	0.7
97.51179	0.4
119.04957	15.2
147.04420	100.0
148.04727	0.6
163.03952	0.8
196.13382	2.9
203.03419	0.4
238.69125	0.3
290.80148	0.4
339.10849	0.7
356.11292	1.6
404.47491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96601	0.1
55.05515	0.2
56.05037	0.4
58.06628	0.4
59.07390	0.1
60.08166	6.9
67.05505	0.5
67.97401	0.1
69.07059	0.1
69.45828	0.3
69.46244	0.7
71.07374	3.7
77.04296	0.1
78.23857	0.1
79.05504	0.4
81.07059	0.6
86.09709	32.8
87.10020	0.1
93.07059	0.5
95.08610	0.4
98.98472	3.6
104.10744	3.1
107.08575	0.1
125.00011	24.3
158.62959	0.1
184.07349	100.0
185.07664	0.5
201.38881	0.1
205.76054	0.1
258.11188	0.2
335.25836	0.2
342.40216	0.1
406.91592	0.1
409.64194	0.1
500.31348	0.8
518.32495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66329	0.3
51.17696	0.3
55.05518	0.6
56.05032	1.1
57.03436	0.3
58.06606	0.7
60.08167	17.0
67.05513	2.0
69.07059	0.8
69.51031	2.0
71.07381	6.1
79.05497	1.3
81.07073	1.6
86.09711	47.1
91.05500	0.9
93.07064	2.0
95.08625	1.2
98.98477	4.3
104.10751	100.0
105.07031	0.4
107.08617	0.5
121.10125	0.5
125.00015	26.4
163.01620	0.5
168.42638	0.3
184.07353	93.5
185.07565	0.4
188.09306	0.3
251.98759	0.4
258.11044	1.2
298.99255	0.3
328.63068	0.3
335.25858	0.8
441.24313	0.5
500.31378	7.9
518.32452	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	517.3894
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.92657	0.8
51.02382	1.0
51.56485	0.8
51.61290	0.9
53.03959	2.3
55.01878	1.6
55.05515	16.5
57.03441	4.8
57.07090	2.3
57.32221	0.8
65.03936	1.3
67.05512	35.3
69.03433	1.1
69.07075	16.7
69.61394	2.6
69.61821	3.4
71.05003	1.6
71.08646	1.1
74.09711	0.8
78.46603	0.8
79.05501	26.7
81.03421	2.9
81.07063	41.3
83.04977	2.2
83.08622	9.1
85.06536	2.9
85.10189	1.1
91.05486	22.3
91.06030	1.6
93.07050	28.2
95.04980	3.1
95.08616	31.5
97.06543	4.6
97.10190	3.9
98.21459	2.1
99.08109	1.4
105.07042	26.7
107.08598	20.2
109.06561	1.5
109.10168	13.7
109.79608	0.9
111.08102	2.7
111.11704	1.5
117.07028	9.2
119.08585	27.8
121.10162	17.5
123.08078	2.2
123.11736	4.1
125.09610	1.5
129.06998	4.7
131.08578	17.0
133.10146	20.9
133.64867	1.0
135.08063	1.6
135.11687	10.5
137.09650	2.6
137.13298	1.2
141.06956	1.1
143.08565	7.0
145.10136	20.0
147.11710	14.2
149.09639	1.4
149.13261	5.8
151.11214	1.0
155.08597	2.8
157.10126	8.0
159.11710	15.6
161.09589	1.1
161.13271	6.5
163.11165	1.4
163.14914	3.1
169.10176	3.1
171.11726	5.7
173.13268	8.9
175.14815	5.0
177.64099	0.8
178.24579	0.9
183.11731	2.4
185.13284	4.3
187.14824	5.8
189.12714	1.0
189.16408	1.1
191.14430	1.3
193.15909	1.1
197.13373	2.1
199.14853	5.1
201.16475	2.5
203.14468	1.3
203.18062	1.8
209.13292	1.3
211.14978	1.7
213.14726	1.2
213.16539	2.2
215.17995	1.8
219.17537	1.2
225.16420	1.2
239.12851	1.1
241.18102	2.9
243.21326	1.1
257.19220	1.4
259.20718	4.0
261.22330	1.8
265.90009	0.9
271.20691	1.5
273.22049	1.2
285.22156	1.1
287.23727	2.1
289.21802	1.5
299.23917	2.5
301.25232	1.3
313.25287	2.0
315.23380	1.4
317.24823	1.4
327.26898	1.2
333.24240	2.4
335.26218	1.5
349.82349	1.0
405.30200	2.0
407.33429	3.5
419.31787	1.6
425.30029	1.0
425.34439	13.7
443.35486	4.0
447.31644	1.2
461.36661	2.4
463.36844	1.4
481.36865	1.5
490.84274	1.0
499.38071	17.5
517.39056	100.0
518.39362	2.9
529.00403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
53.04167	2.2
55.01863	4.0
55.05514	22.4
57.03434	7.6
57.07066	3.3
62.33314	1.6
65.03940	3.5
67.05511	52.7
69.03425	2.6
69.06744	2.6
69.07076	25.5
71.04984	2.9
71.08637	1.8
71.50140	2.7
73.06558	1.8
79.05502	45.3
81.03429	13.2
81.07063	66.3
81.96705	1.7
83.04984	4.0
83.08611	10.5
85.06541	4.6
91.05489	38.7
93.06498	2.9
93.07054	47.3
95.04974	6.7
95.08614	52.0
97.06524	5.8
97.10168	5.5
105.07037	36.7
105.08095	1.9
107.04953	2.8
107.08598	31.4
109.06528	3.5
109.10165	23.1
109.14806	1.8
111.08102	3.3
117.07018	15.4
119.08588	46.1
121.06541	3.8
121.10147	26.8
123.08058	5.2
123.11713	8.7
125.05998	2.3
125.09623	2.1
129.07022	8.5
131.08583	27.2
133.10144	30.0
135.08090	4.0
135.11707	17.8
137.09648	8.1
139.11131	1.9
141.07042	2.7
143.07048	6.6
143.08542	9.3
145.10129	26.0
147.08052	3.0
147.11694	20.3
149.09680	3.8
149.13274	10.6
151.11182	2.1
155.08649	3.8
157.10149	9.3
159.11691	19.0
161.09682	2.4
161.13278	13.0
163.11273	3.0
163.14789	4.8
165.09114	2.3
169.10153	4.7
171.11705	6.4
173.13239	10.1
175.11253	2.0
175.14806	5.4
177.16272	1.7
183.11713	5.0
185.13255	7.3
187.14799	8.2
189.12816	3.0
189.16470	3.7
197.13254	5.7
199.14865	5.0
201.16322	4.0
211.14911	3.0
213.16524	3.8
223.16832	1.9
227.18115	2.3
237.03885	1.6
239.12846	8.5
239.18091	1.8
241.17995	3.2
246.76042	1.8
259.20563	5.0
261.22131	5.6
262.03210	1.7
271.20715	1.8
273.22171	3.0
285.22336	2.6
289.21732	2.3
299.23657	4.0
301.22217	2.1
301.25180	7.8
313.25342	2.6
333.24588	3.2
335.25763	7.0
357.28149	1.9
359.25839	2.1
401.26654	2.9
407.28867	3.1
407.33636	3.1
408.29034	1.8
425.30042	6.3
425.35193	11.0
443.35333	5.1
461.36594	1.8
499.34006	13.5
499.37589	9.4
517.39703	100.0
518.38593	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03942	2.8
55.01878	1.4
55.05513	14.6
57.03446	4.6
57.07079	2.5
65.03938	1.2
67.05508	34.8
69.06735	1.3
69.07073	17.1
71.04987	1.1
79.05496	24.4
81.07056	39.8
83.04974	2.3
83.08617	8.2
85.06541	2.2
91.05487	21.0
93.07046	32.9
95.04961	2.6
95.08607	33.7
97.06548	3.7
97.10157	2.5
99.08083	1.1
103.05557	1.0
105.07032	25.0
107.08601	21.1
109.06537	1.3
109.10160	14.1
111.08080	1.9
113.00074	0.9
117.07021	8.4
119.08582	24.8
121.06489	1.0
121.09335	1.4
121.10153	17.8
123.08058	1.0
123.11734	4.7
125.09623	1.3
129.06996	4.1
131.08578	19.8
133.10133	19.9
135.11693	10.3
137.09604	0.9
137.13263	1.9
139.11197	1.2
141.07014	1.1
142.07829	1.0
143.08588	6.6
145.10124	18.3
147.11711	12.7
149.13263	5.6
155.08531	1.5
156.09415	1.0
157.10153	5.8
159.11708	13.1
161.13261	7.6
163.14845	2.6
169.10127	2.8
171.11679	7.1
173.13306	9.5
175.14864	4.3
177.12747	1.0
177.16415	1.8
181.10083	0.9
183.11713	3.1
185.11787	1.3
185.13251	5.8
187.14790	5.3
189.16464	1.4
197.13327	3.1
199.14868	3.6
201.16502	2.2
211.14806	1.1
213.14694	1.3
213.16451	2.9
215.17886	2.0
225.16422	1.6
227.18102	1.3
229.35416	0.9
231.17474	1.5
241.17970	3.3
259.20667	4.3
261.22198	1.0
271.20877	1.3
273.22275	2.6
277.21741	1.0
285.22089	1.9
287.23767	2.9
299.23730	2.3
313.25330	1.7
317.25073	1.5
327.26981	1.2
333.24255	2.4
361.27371	1.5
391.28461	1.4
405.30368	1.7
407.28033	1.1
407.33017	3.9
425.34167	12.9
443.35089	7.3
447.30939	1.0
461.36160	1.3
481.36880	1.3
499.37863	20.1
517.38947	100.0
518.39227	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3528
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
51.02361	2.9
51.89372	1.5
53.03948	10.8
55.01864	6.0
55.05274	2.6
55.05516	36.7
57.03448	11.9
57.07071	2.7
59.36683	1.7
65.03930	4.9
67.05511	72.9
69.03419	4.8
69.07081	13.5
70.30326	6.8
71.04996	8.0
77.03929	2.0
79.05500	87.6
81.03423	48.9
81.06596	3.5
81.07061	65.7
83.04989	13.8
83.08627	30.0
85.02913	30.1
85.06541	5.0
91.04915	3.0
91.05489	64.7
93.07053	80.2
95.04977	29.8
95.08611	32.2
96.24370	1.5
97.06528	7.6
97.10162	11.8
99.08093	3.7
105.04491	3.5
105.07042	39.6
107.04970	3.2
107.08606	24.0
109.06532	6.2
109.10144	14.8
109.66431	2.0
111.04431	3.1
111.08105	11.0
113.06030	3.6
117.07019	11.8
119.08596	37.7
121.10155	46.3
123.08099	1.7
123.11729	6.4
125.09611	7.1
129.07025	18.5
131.08568	27.3
133.06519	3.2
133.10146	21.9
135.08041	3.2
135.11681	12.4
135.42125	2.3
137.09641	3.5
142.07774	4.8
143.08560	4.3
145.10133	15.1
147.08032	3.4
147.11716	22.6
149.09641	8.0
149.13269	5.2
155.08545	2.2
157.10155	14.8
159.11707	11.1
161.13269	3.6
163.11154	2.7
165.12766	4.4
167.08524	1.8
169.10159	3.4
171.11694	8.7
173.13292	8.1
175.11223	13.7
175.14871	3.2
183.11714	3.8
185.13321	3.9
187.14888	4.2
189.11153	2.0
193.12247	42.5
197.13316	2.5
211.13284	45.9
215.17996	7.2
227.12820	4.5
229.19348	2.0
233.19084	4.3
257.18933	1.7
267.16046	4.3
273.22235	3.3
275.20236	3.1
285.16968	4.0
301.71393	1.9
313.21732	2.5
389.28494	2.2
407.29575	5.7
425.30569	7.0
443.31839	3.2
481.33292	2.5
499.34247	23.3
517.35291	100.0
518.35815	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	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01858	3.3
55.05509	18.1
57.03429	6.5
57.07061	2.8
65.03917	4.0
67.05505	72.1
69.03419	3.7
69.07069	22.3
69.97923	1.2
71.04982	3.7
71.08644	1.2
71.50243	1.3
73.06551	1.2
77.03937	1.4
79.04784	1.4
79.05493	51.8
81.03419	29.8
81.07056	59.7
83.05004	5.4
83.08608	7.1
85.02899	9.2
85.06555	1.8
91.05482	100.0
93.07045	73.1
95.04972	7.2
95.08609	54.4
97.02890	1.9
97.06525	6.0
97.10161	4.8
99.08071	3.4
105.04508	2.6
105.06328	1.2
105.07035	26.4
107.04969	2.2
107.08595	25.6
109.06506	3.6
109.10158	27.2
111.08059	1.9
113.09644	1.2
113.95724	1.3
115.05444	1.4
117.06993	14.9
119.08583	90.8
121.06491	5.2
121.10140	22.5
123.08085	4.6
123.11704	5.5
125.06033	1.6
125.09659	1.8
126.03915	1.2
128.06183	1.9
129.06969	5.8
131.08565	17.4
133.06538	1.3
133.10127	15.3
135.08034	4.6
135.11697	14.0
137.09625	35.8
137.13243	1.5
139.11156	1.2
141.06976	1.4
143.07047	4.1
143.08543	5.1
145.10149	13.0
147.08046	5.1
147.11736	9.7
149.09583	3.2
149.13243	8.0
151.11137	1.2
153.09055	1.4
155.08507	2.5
157.10110	4.6
159.11688	10.5
161.09644	1.8
161.13269	7.2
163.11095	1.2
163.14815	2.3
165.09114	25.4
167.08594	1.7
169.10147	3.7
170.13844	1.1
171.11754	5.2
173.13234	7.3
175.11278	1.6
175.14810	2.7
179.14299	1.1
181.10027	1.8
183.10176	16.1
183.11732	3.7
185.13280	2.6
187.11273	1.5
187.14799	4.3
195.11844	1.9
197.13300	2.6
199.09668	2.5
199.14856	2.6
201.16362	2.0
205.15877	1.3
209.13249	2.0
213.16446	2.1
215.17836	1.4
219.13673	1.5
227.12756	1.1
239.12720	6.1
243.21068	2.0
261.22137	7.7
271.20456	1.2
273.22147	2.1
285.22098	2.3
301.25330	4.2
303.23138	1.3
309.22495	1.1
317.24704	1.7
335.25821	10.1
359.25897	1.8
363.25949	1.0
379.29672	1.4
389.28687	1.5
397.30890	2.0
401.26953	2.2
407.29349	7.4
425.30380	6.8
443.31284	3.0
481.32751	1.9
499.34177	25.4
517.35211	89.9
518.35156	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3531
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
51.02384	2.5
53.03926	7.5
54.45406	2.3
55.01865	7.6
55.05275	2.9
55.05512	36.3
57.03429	13.7
57.07065	3.0
65.03916	7.0
67.05506	99.8
69.03432	5.6
69.06740	3.8
69.07072	44.8
71.04989	6.7
74.09703	4.1
74.31837	2.3
76.13917	2.1
77.03896	2.4
78.72308	2.1
79.05495	86.8
81.02991	3.6
81.03421	40.4
81.06599	5.1
81.07059	100.0
83.04977	7.3
83.08625	20.1
85.02899	5.0
91.05482	65.7
93.07046	89.0
95.04982	16.5
95.08611	90.3
97.06522	13.4
97.10146	8.4
98.20753	5.5
103.05426	3.1
105.04491	3.0
105.07034	61.4
105.40474	2.5
107.04951	7.7
107.08589	49.1
109.06514	8.5
109.10164	35.1
111.08080	4.6
113.00031	4.3
117.07027	26.5
119.08578	73.2
121.06493	8.7
121.10154	41.4
123.04369	2.5
123.08064	10.1
123.11700	11.3
125.05973	6.1
125.09624	4.7
129.07008	11.1
131.08578	43.8
132.01962	2.4
133.06480	4.2
133.10141	37.9
135.08089	6.7
135.11691	22.6
137.09604	18.0
139.11186	3.0
141.07010	5.8
143.07031	12.7
143.08594	14.1
145.10118	38.8
147.08075	7.0
147.11713	29.6
149.09573	7.2
149.13304	11.6
151.11154	2.7
155.08536	8.3
157.10162	15.5
159.08060	6.1
159.11726	26.3
161.09618	5.4
161.13249	13.7
163.11171	3.7
163.14737	5.0
165.09126	10.3
165.12781	2.7
169.10118	9.1
171.11694	13.8
173.13214	18.8
175.11205	2.8
175.14815	8.8
181.10136	3.1
183.10234	3.7
183.11772	6.3
185.13257	11.1
187.14847	10.8
189.12921	3.4
189.63788	2.6
193.12349	4.9
194.82784	2.4
195.11615	3.3
197.13359	5.1
199.09665	7.3
199.14824	5.8
201.12698	2.8
201.16412	3.2
205.15903	4.5
211.13095	5.3
211.14941	5.0
213.16417	5.9
215.18028	3.3
219.13719	3.2
225.16431	4.0
227.18066	4.4
231.13968	2.5
233.18990	2.5
239.12700	13.6
243.21147	3.0
260.17218	2.5
261.22250	14.5
274.15097	2.7
281.93420	2.5
285.22174	4.2
299.23758	4.5
301.25198	12.8
304.72162	2.4
317.24518	4.3
335.25784	15.0
397.30893	2.9
407.29327	8.5
407.40402	2.7
425.30347	12.0
425.34442	8.9
443.35907	4.1
453.33420	2.7
499.33676	41.6
517.35236	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3171
Annotation	CHEBI:88298
Peak:m/z	Relative Intensity
53.03948	4.0
53.14971	2.6
55.01876	3.4
55.05510	13.5
56.79712	3.0
57.07069	5.4
59.04998	2.7
67.05496	12.2
69.03434	5.6
69.07067	14.3
74.76749	2.4
77.38647	2.8
78.57908	3.1
79.05481	12.5
81.03410	11.0
81.07062	34.6
83.04998	3.4
83.08602	3.4
85.02934	5.3
91.05492	21.6
93.07048	25.0
95.04987	7.9
95.08614	24.1
97.02911	2.7
97.06529	10.6
97.10183	8.6
99.08081	6.9
100.11268	3.0
105.07034	41.9
107.08601	26.2
109.02889	7.6
109.06521	9.2
109.10165	17.0
111.08082	9.8
115.05495	5.1
117.07019	11.1
119.04948	9.2
119.08588	49.3
121.06520	9.6
121.10157	25.7
123.04420	3.0
123.08071	7.7
123.11722	7.6
125.09639	4.3
127.03945	6.8
128.02219	2.5
128.06232	5.7
129.07013	6.6
131.08574	39.4
132.34868	2.6
133.06421	2.9
133.10146	26.8
135.08022	6.5
135.11690	13.7
137.05977	11.2
137.09653	7.8
137.13350	4.0
139.11180	4.4
141.06967	3.8
142.07799	5.5
143.08545	19.5
145.06543	4.3
145.10117	28.8
147.04430	37.8
147.08076	11.0
147.11707	24.5
149.09634	10.3
149.13278	4.5
151.07610	3.9
151.11165	4.7
153.12758	3.1
155.08563	7.3
156.09320	10.0
157.10138	19.8
159.08092	5.4
159.11713	26.5
161.09631	9.5
161.13272	11.6
163.11179	4.1
163.14798	4.3
165.12749	6.1
167.10684	3.8
169.10132	6.7
170.10890	4.9
171.11710	26.7
173.09616	3.8
173.13271	48.0
175.07523	3.0
175.11264	6.4
175.14871	21.0
177.05463	4.8
177.12759	5.8
181.10135	5.5
183.11720	9.4
185.13185	19.9
187.14864	5.5
189.12766	8.8
191.14322	50.1
195.11772	6.3
197.13269	9.6
199.11205	21.2
199.14873	9.0
201.12834	14.2
201.16322	4.6
203.14294	32.4
205.15945	5.4
209.13324	4.7
209.15366	4.5
211.14967	3.5
213.12735	30.1
215.14308	8.7
217.12193	20.9
217.15881	5.7
219.13744	5.0
221.13391	4.2
221.15347	22.9
227.14339	4.2
231.13817	7.3
237.16432	5.1
239.16443	54.9
245.11742	5.8
259.13315	100.0
261.14929	11.0
263.12799	15.8
267.17337	3.5
273.14874	3.5
277.14413	10.7
341.86307	3.0
346.80865	3.3
385.75879	3.3
399.26520	3.5
417.27994	4.9
435.29080	28.9
453.30035	16.5
463.28339	11.2
471.31177	6.4
481.29660	37.3
499.17526	4.1
499.30649	36.5
517.19403	11.5
517.31665	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54600	0.3
69.03423	1.2
70.68907	0.3
79.05494	0.7
83.05008	0.4
85.02896	0.5
89.03925	5.0
89.04446	0.6
97.02902	0.5
107.04950	1.1
117.03387	7.5
127.03822	0.6
135.04425	14.7
145.02863	11.1
145.04030	0.4
146.60739	0.3
150.63757	0.3
163.03912	100.0
164.04204	0.6
178.72563	0.3
181.05046	0.7
200.61821	0.3
264.42944	0.3
307.08142	0.5
325.09283	0.7
331.91162	0.3
337.08987	0.5
343.59216	0.3
357.63705	0.3
490.08871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24961	0.7
53.03945	0.7
53.61654	0.6
54.47465	0.6
55.05511	3.1
57.07072	1.2
62.02305	0.7
62.06093	4.9
67.05502	4.4
69.07064	3.8
69.89039	0.8
70.02953	2.1
70.30981	2.5
77.87607	0.6
79.05507	3.2
81.07062	9.9
83.08617	2.2
86.09700	1.0
88.03990	0.8
91.05486	3.1
93.07047	8.8
95.04994	1.0
95.08611	17.2
97.10187	1.2
102.46127	0.6
105.07043	11.4
107.08602	15.6
109.10163	10.9
111.08075	1.4
115.05379	0.7
117.07022	1.4
119.08586	21.0
121.06556	0.7
121.10153	10.8
123.11713	3.5
125.00002	1.2
131.08565	6.4
133.10133	15.5
135.08072	1.5
135.11699	9.1
137.09615	0.9
137.13246	1.3
143.08548	1.7
145.10135	9.8
147.11702	11.1
149.13274	5.0
155.08607	0.7
157.10144	2.3
158.07008	0.7
158.10806	0.7
159.08058	1.0
159.11710	6.8
161.13248	6.8
163.10994	0.7
163.14818	5.1
170.10855	0.7
171.11736	2.9
172.12332	0.7
173.13254	5.9
175.11209	1.0
175.14825	5.5
177.12709	0.7
177.16417	2.2
183.11800	1.1
184.07411	3.4
185.13293	1.4
187.14835	10.0
189.12712	0.8
189.16399	13.5
191.17984	6.0
192.34773	0.7
199.14864	2.8
201.16388	10.2
203.17946	11.4
205.15974	2.4
207.17517	3.6
211.14883	0.8
213.16382	2.1
215.17996	3.5
217.15958	0.9
217.19522	1.6
219.17505	1.1
227.17963	0.9
229.16031	0.9
229.19606	2.6
231.21028	0.9
233.61926	0.6
239.18039	0.8
241.19574	2.9
243.21159	0.9
250.18063	1.1
255.21085	2.2
264.19867	1.0
269.22678	1.0
276.19687	1.1
278.21213	3.0
290.21152	6.1
295.24216	0.9
308.22281	1.5
386.20578	0.7
391.33698	2.9
409.34628	7.4
421.20151	0.7
427.35663	1.8
439.32407	0.7
470.29697	0.6
480.38419	5.1
498.32462	0.8
498.39447	14.3
516.33997	5.3
516.40570	100.0
517.40741	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.05520	7.9
57.07087	2.7
59.29183	1.5
60.04517	2.8
62.06097	78.3
62.10239	1.4
67.05511	16.1
69.03415	1.7
69.07072	11.1
70.02956	4.6
71.01241	4.4
73.53492	1.5
79.05502	9.1
80.72272	2.0
81.07063	26.3
83.08627	4.9
88.04006	3.0
91.05476	10.5
93.07046	19.8
95.08617	39.9
97.06533	2.4
97.10155	2.9
105.06395	2.6
105.07041	22.3
107.08604	38.6
109.10165	28.8
111.08109	1.8
113.00085	1.8
114.90225	1.5
116.54748	1.5
117.07050	1.8
119.08595	36.4
121.10158	31.3
123.08088	2.7
123.11718	17.4
129.06995	2.1
131.08600	11.5
133.06488	2.3
133.10135	30.6
134.10480	2.4
135.08051	4.0
135.11713	19.3
137.09558	1.6
137.13254	2.8
143.08577	5.7
145.10129	19.7
147.08070	2.3
147.11713	18.5
149.09619	3.8
149.13217	9.0
151.11160	2.1
153.12770	3.5
157.10179	7.5
159.11696	20.7
161.13261	14.9
163.11143	3.9
163.14850	11.5
165.12804	1.9
169.10252	1.9
171.11711	5.4
173.13298	17.0
175.11267	2.0
175.14859	12.4
177.16399	9.7
179.14389	4.4
183.11694	2.5
185.13289	6.3
187.11256	4.8
187.14803	15.1
189.16405	15.5
191.17975	11.4
193.10353	1.6
195.11853	2.0
197.13379	2.6
199.14871	5.8
201.12727	2.2
201.16417	14.3
203.14163	1.9
203.17931	10.9
205.15877	3.7
207.17520	3.3
210.14912	2.0
211.14789	2.5
213.16487	2.3
215.10747	1.5
215.18002	6.6
217.16197	2.0
219.17569	2.2
224.16460	2.3
227.18031	1.8
229.15945	2.3
229.19467	12.0
233.15468	1.9
238.18045	2.0
241.19579	4.6
243.21092	2.6
247.20825	2.7
248.16353	2.4
250.18080	2.7
252.19772	6.0
255.21034	4.7
257.22763	2.5
262.18134	2.5
264.19498	2.1
269.22809	2.1
271.24094	2.7
273.22089	1.8
278.21201	4.5
285.22290	3.7
290.21283	10.4
303.23199	2.4
380.90622	1.6
391.33456	8.0
409.34729	19.5
419.33151	5.9
437.34109	4.9
453.30099	2.5
480.32080	2.8
480.38425	21.8
495.41006	1.7
498.39511	100.0
516.33478	16.4
516.40588	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.3
53.03941	4.3
55.01866	3.1
55.05518	21.6
56.95363	1.3
57.03442	6.6
57.07076	2.5
65.03950	3.3
67.05511	61.7
69.03442	1.7
69.07079	16.5
71.01352	1.4
71.04995	3.3
71.50637	2.0
77.03928	2.2
79.05503	61.0
81.03426	4.0
81.07065	50.0
83.04986	8.6
83.08623	8.8
85.06541	4.5
85.74755	1.5
91.05491	37.7
93.07050	69.1
93.07645	3.3
95.04979	6.3
95.08615	31.7
97.06538	9.7
97.10164	9.3
105.04488	2.5
105.07040	26.2
107.04948	2.1
107.08603	40.1
109.06543	2.0
109.10156	14.6
109.10746	1.4
111.08082	1.9
117.07026	14.6
119.08602	18.7
119.26781	1.4
120.57407	1.4
121.06557	1.4
121.10155	19.2
123.11712	3.0
129.07060	7.3
131.08582	15.9
133.10129	12.4
135.08078	3.2
135.11707	41.5
140.80759	1.3
143.08559	8.4
145.10144	22.3
147.11728	6.6
149.13300	2.9
153.12785	3.5
155.08597	2.6
157.10139	6.8
159.11705	12.8
161.13298	5.4
163.11220	5.5
167.14226	1.3
167.27209	1.5
169.10158	4.3
171.11678	6.6
173.13254	7.2
173.54337	1.6
175.14909	3.2
180.28682	1.5
181.12311	6.5
183.11731	3.8
185.13335	4.4
187.14867	5.6
189.16229	1.6
195.11716	1.6
197.13271	2.0
199.14917	2.3
201.16481	2.1
209.13266	1.9
211.14842	3.1
236.30377	1.3
241.15858	1.6
261.22293	4.5
373.35751	1.8
405.31564	2.9
423.32858	7.4
441.34052	3.2
465.39865	1.6
497.36371	4.4
515.30420	6.8
515.37451	100.0
516.37750	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
53.03957	4.2
55.01853	1.7
55.05514	17.9
57.03439	7.1
57.07069	2.6
63.75769	0.9
65.03935	3.0
67.05509	47.1
68.18905	0.8
69.03442	1.5
69.07073	15.1
69.28761	8.1
71.01369	1.9
71.04996	2.2
71.91118	0.7
73.50201	0.8
74.54975	1.0
77.03912	1.2
79.05498	44.0
81.03417	2.3
81.07059	38.2
83.04977	4.4
83.05430	0.8
83.08621	7.1
85.06557	1.5
87.21189	0.9
87.22124	0.8
88.57126	0.9
91.04916	1.8
91.05489	29.4
93.07045	48.0
95.04990	4.2
95.08612	23.2
97.06523	7.2
97.10175	6.5
98.20820	2.1
99.08073	1.6
105.04530	1.4
105.07030	20.1
107.07886	2.0
107.08596	28.1
107.09313	1.7
109.06496	1.8
109.10159	10.3
111.08059	1.3
115.05458	1.3
117.07008	13.0
119.08579	18.2
119.09383	1.4
121.10144	13.8
123.11749	2.0
125.09605	2.0
128.06261	1.3
129.07018	5.0
130.07797	1.8
131.08568	15.8
133.10132	10.8
135.11697	30.0
135.12737	1.6
137.09630	1.1
142.07883	0.8
143.08569	7.5
145.10141	17.8
147.11713	6.4
149.13269	3.5
153.12817	1.2
155.08521	3.1
157.10115	7.2
158.10968	1.0
159.11699	8.8
161.13251	3.5
163.11197	3.9
169.10144	2.9
171.11696	5.4
173.13293	7.4
175.14825	1.5
181.10147	1.5
181.12277	3.7
183.11685	3.2
185.13333	4.5
187.14865	3.7
190.16177	1.1
197.13290	2.1
199.14827	3.4
201.16412	1.8
209.13344	1.3
211.14851	2.0
237.16431	1.4
243.21082	2.7
261.22229	3.2
285.21838	1.1
299.23843	1.4
317.24994	1.5
405.31433	3.6
423.32584	10.7
441.33588	2.9
497.36237	4.0
515.37354	100.0
516.37640	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	515.3348
Annotation	Gln Val Leu Arg
Peak:m/z	Relative Intensity
50.81710	0.4
55.05513	0.9
67.05505	0.9
69.07071	0.5
71.23265	0.8
72.63857	0.4
76.53387	0.4
78.08313	0.4
79.05488	1.0
81.07063	1.7
81.38726	0.4
83.04968	0.6
85.06551	0.6
90.85905	0.4
91.05486	1.2
93.07050	1.4
95.04989	0.7
95.08607	1.6
97.06532	0.9
99.08085	1.0
102.64028	0.5
105.07039	2.1
105.12004	0.4
107.08591	1.9
109.06533	0.8
109.10174	1.5
111.63996	0.4
118.30707	0.4
119.08588	2.0
121.10168	1.3
123.11674	0.5
128.06168	0.5
131.08591	1.9
133.10107	2.2
135.11719	0.4
143.08551	0.7
145.10133	1.4
146.99713	0.4
147.11703	1.4
149.13278	0.5
155.08583	0.6
157.10194	1.2
159.08087	0.6
159.11754	1.0
161.09596	0.8
161.13315	0.9
163.14807	0.6
169.10126	0.7
170.46910	0.5
171.11722	1.2
173.13254	2.5
175.14786	0.7
185.13269	1.3
187.14824	0.9
189.12656	0.5
189.16447	0.5
195.11780	0.7
197.13393	0.5
199.11247	1.4
201.12772	0.6
201.16568	0.5
203.14339	0.5
205.15907	0.5
207.11829	0.5
207.13786	0.7
211.14888	0.5
217.12315	0.8
245.11794	1.2
263.12665	0.6
268.85483	0.4
293.22000	0.5
341.53461	0.4
433.27426	0.5
451.28568	1.3
467.31393	1.6
469.29315	1.0
485.32910	0.4
497.32898	1.0
515.33514	100.0
516.33850	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.9
61.02915	5.5
66.69606	3.9
67.05507	82.9
69.03419	4.4
69.07095	20.4
69.07378	4.0
69.36092	26.8
69.36495	7.8
79.05502	65.7
81.03416	5.9
81.07065	100.0
83.08609	12.3
83.88621	4.7
85.02914	6.9
91.05484	36.8
93.07046	70.9
95.04954	6.9
95.08612	61.4
97.06500	5.5
97.10147	9.2
105.07035	28.8
107.08598	44.7
109.10180	31.8
109.99234	4.1
117.07018	22.3
119.08611	30.0
121.10145	36.5
121.59229	4.6
123.08134	4.9
123.11707	15.6
125.09575	4.0
129.07004	6.2
131.08560	31.0
133.10109	24.7
135.08118	4.5
135.11717	33.9
143.08540	5.2
145.10201	21.2
147.11688	18.8
149.13214	16.2
157.10117	4.7
159.11668	20.4
161.13260	15.3
163.14824	13.2
173.13307	23.4
187.14760	13.4
189.11156	4.7
203.95583	3.9
243.21097	22.0
261.22217	58.2
272.18057	4.4
279.23419	6.0
335.25775	11.7
352.24539	4.9
353.26804	11.5
479.30157	4.8
497.31799	7.5
515.32770	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.2
55.05516	18.7
57.03427	6.7
58.74905	3.4
61.02921	6.0
67.05510	82.1
69.03427	6.1
69.07085	20.4
70.09950	14.6
71.04945	3.6
73.02924	3.8
76.01666	3.3
78.49763	3.1
79.05502	50.8
79.68477	3.0
81.01472	2.8
81.03444	6.7
81.06597	5.9
81.07065	100.0
83.04978	3.7
83.08643	7.4
85.02905	5.0
89.01275	3.1
91.05501	35.1
93.07054	64.0
95.04958	4.6
95.08617	72.9
97.06522	3.9
97.10172	3.9
105.07040	27.8
107.04939	3.6
107.08597	38.5
109.06532	4.7
109.10159	30.9
111.44008	3.2
117.07021	12.1
119.08584	27.2
121.10146	40.7
123.11719	13.0
129.07033	4.9
131.08575	25.4
133.10112	15.0
135.08089	4.7
135.11707	30.5
137.13365	3.9
143.08556	5.0
145.10129	24.0
147.11691	14.7
149.13281	19.7
157.10156	5.2
159.11708	14.0
161.13257	11.1
163.14824	11.2
173.13301	17.3
175.14897	4.4
177.16385	3.8
187.14816	8.5
243.21118	20.6
261.22165	54.9
273.22272	3.3
317.24933	4.8
325.11395	3.7
335.25766	17.0
345.24008	3.5
353.26749	14.3
369.24411	4.4
488.05084	3.5
497.31100	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	6.1
55.05505	24.0
57.03423	10.5
65.03932	8.6
67.05514	79.4
69.03438	10.5
69.07091	32.8
71.04975	9.0
71.08645	11.1
73.02897	6.1
79.05503	61.4
81.03412	21.5
81.07060	100.0
83.04979	10.8
83.08621	17.6
85.02904	12.8
91.05496	37.7
93.07043	64.0
95.04978	14.0
95.08062	7.6
95.08619	73.6
97.02901	5.8
97.06519	11.5
97.10180	8.4
98.20748	14.3
99.08089	16.6
105.07043	39.2
107.04958	10.8
107.08585	45.6
109.06533	9.0
109.10150	34.6
111.08104	10.8
115.36607	5.8
117.07018	14.5
119.08584	48.3
121.10146	39.3
123.08112	8.4
123.11707	17.0
125.99036	4.9
126.80593	5.4
127.03905	9.5
129.06998	10.8
131.08575	38.3
133.10153	27.1
135.08043	6.1
135.11674	22.7
135.12624	5.0
139.07611	4.8
139.19243	5.3
141.07001	7.0
143.08560	8.9
145.10146	28.7
147.08015	8.6
147.11723	14.9
149.13277	15.9
151.11171	11.7
157.10081	11.4
159.11707	23.2
161.13347	14.2
163.14835	7.5
169.10118	10.0
171.11711	8.6
173.13274	16.0
175.14780	8.6
177.16425	7.5
187.14825	13.4
191.14308	8.1
197.13281	6.9
199.14850	7.2
204.06375	5.5
215.14326	5.4
243.20914	14.5
261.22116	49.8
301.21841	6.0
303.23184	10.9
327.23288	6.0
335.25729	16.2
341.48651	5.5
345.24304	9.8
351.22919	6.3
353.26877	20.0
369.24469	10.1
385.57626	7.8
419.28040	12.3
434.83652	6.3
448.31085	6.4
461.29108	10.1
497.31519	7.6
515.31927	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	515.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52884	0.5
50.96964	0.5
63.37231	0.5
65.56857	0.4
65.91372	0.4
66.77974	0.4
67.05512	1.1
69.03429	0.6
69.07082	0.8
71.04990	1.5
71.49482	0.6
79.05496	0.7
81.03419	0.5
81.07053	1.1
85.02920	1.3
91.05484	1.9
93.07046	1.1
95.04990	0.6
95.08612	1.3
95.47131	0.4
99.04466	0.5
99.08121	0.9
105.07050	1.4
107.08592	1.3
109.10158	1.0
111.08116	0.5
119.04964	1.5
119.08614	1.3
121.10147	1.0
127.03878	0.6
127.07548	0.6
129.07010	0.5
131.08533	0.9
133.10185	1.8
135.08054	0.6
137.05986	0.5
137.09677	0.5
143.08623	0.5
145.02876	1.4
145.08585	2.9
145.10181	1.3
147.04410	5.4
147.11726	0.8
149.09645	0.8
154.80725	0.5
157.10117	0.6
159.08070	0.8
161.13283	0.7
163.28642	0.5
169.10219	0.6
173.13347	0.8
177.05467	1.4
185.04288	0.7
185.13368	0.7
189.12744	1.1
203.05307	2.0
259.07944	2.4
347.09512	38.4
365.10693	1.4
433.27744	0.6
461.27197	0.8
479.27838	1.0
497.29004	0.7
515.21051	100.0
516.21265	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62958	6.4
53.03944	9.0
55.05522	13.4
57.03450	8.8
65.03898	6.3
67.05515	69.6
67.85736	7.4
69.03434	14.5
69.07069	24.5
71.11172	18.1
77.03992	7.1
79.05503	59.1
81.03419	14.5
81.07060	100.0
83.04971	6.8
83.08610	17.4
91.05502	41.5
93.07055	58.8
95.04988	18.4
95.08607	69.6
97.06535	7.4
98.72982	6.9
99.08110	9.5
105.07037	39.9
107.08608	55.9
109.06518	11.2
109.10188	29.0
117.07014	19.7
119.08584	38.1
121.06573	9.4
121.10120	37.0
123.11698	16.0
131.08571	27.9
133.10152	29.3
135.11713	22.3
137.98459	6.6
143.08571	18.7
145.10182	35.6
147.11696	35.5
149.13208	18.9
155.08563	10.1
157.10190	14.4
159.11725	20.6
161.13281	14.4
163.14845	7.4
171.11694	13.2
173.13275	25.1
175.11292	6.2
175.14879	8.4
177.12811	6.6
178.65276	6.8
185.13264	7.8
187.14847	7.6
203.14398	8.3
243.21132	11.9
261.22238	31.3
270.65463	7.2
304.01279	7.2
317.75714	6.9
320.09702	7.5
327.23184	8.5
345.24271	11.1
353.26938	11.6
369.24231	14.1
497.31561	12.9
515.33014	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	514.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.8
65.03944	1.3
69.03444	1.2
69.21835	0.4
69.40315	2.3
69.40739	1.3
70.06583	0.8
81.03415	3.7
85.02908	1.5
86.09707	1.4
90.27790	0.4
91.05485	10.2
95.89661	0.4
97.02946	0.5
104.04974	0.4
108.12241	0.3
109.02898	1.3
119.04948	21.9
120.05280	0.4
132.04459	8.8
133.38593	0.4
147.04417	100.0
148.04720	0.5
153.01794	0.4
160.03981	1.3
165.05502	1.9
178.05005	69.0
206.04497	96.5
207.04741	0.7
260.79706	0.5
291.08646	5.1
309.09711	2.2
368.09711	1.7
514.13171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70827	4.6
55.01868	4.9
55.05514	31.6
57.03441	19.2
57.07088	6.8
60.24836	4.5
65.03921	6.5
67.05508	77.7
67.89418	4.6
69.03429	7.3
69.07069	38.5
71.05017	6.0
71.49911	4.8
78.97856	4.8
79.05495	68.3
81.03419	71.4
81.07062	100.0
83.04991	24.1
83.07996	4.5
83.08614	37.2
83.64307	4.6
85.02906	19.0
85.06551	6.9
86.55000	4.9
89.28776	5.3
89.73942	4.5
91.05490	52.5
93.07050	65.4
95.04960	30.8
95.08593	27.7
97.06502	13.7
97.10178	7.5
99.08115	6.3
105.07033	37.2
107.04979	9.5
107.08602	43.9
109.06509	8.3
109.10176	12.2
111.08102	15.3
117.07038	15.2
119.08590	34.0
119.11739	4.4
121.10164	27.3
123.08038	5.7
125.09784	4.8
129.06989	9.0
131.08557	22.3
133.10129	22.7
135.11691	17.4
145.10107	10.7
146.34683	5.1
147.11674	19.8
148.69075	4.9
149.13266	27.4
157.10138	14.5
159.11705	13.7
171.11774	4.9
175.11169	17.5
177.12814	6.2
185.13216	8.1
187.14883	5.8
187.79202	5.9
193.12227	41.4
194.16440	4.7
195.13834	10.7
200.20190	5.5
201.16447	5.0
211.13281	66.7
267.15933	21.6
269.17496	88.1
285.16916	51.1
341.10577	6.1
461.28882	25.3
479.30130	78.0
514.31934	34.5
515.33539	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	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04533	4.1
55.05503	11.8
56.96574	4.6
61.02915	9.2
67.05514	32.2
69.07066	12.8
71.49913	4.5
79.05511	29.3
81.03455	5.9
81.07078	30.6
83.08610	7.3
85.02904	7.9
91.05469	23.9
93.07031	35.7
95.04936	6.1
95.08636	23.2
97.06532	6.4
99.08073	5.4
104.96710	4.7
105.07051	30.5
105.20721	4.0
107.08595	23.7
109.10146	15.4
117.07054	11.3
119.08595	30.3
121.10168	19.8
129.07018	5.8
131.08572	20.7
133.10126	25.8
135.11661	14.8
143.08548	9.2
145.10132	18.7
147.11707	16.4
149.13268	14.5
155.08542	5.7
157.10083	6.9
159.11678	15.4
161.09669	4.8
161.13275	17.7
169.10196	5.7
171.11705	14.1
173.13268	11.9
175.11273	5.1
175.14880	5.0
183.11784	6.9
185.13239	14.0
187.11142	6.8
187.14842	6.6
199.14862	5.6
241.19484	8.6
259.20557	27.9
268.62909	5.3
277.21567	5.4
349.23752	5.3
351.25256	63.9
492.39868	5.3
495.28574	5.2
513.31805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3191
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
53.19307	0.6
55.05506	1.3
55.57584	0.7
62.00772	0.6
67.05504	1.1
69.03395	0.6
69.07053	0.7
71.50255	1.2
79.05486	1.3
81.03407	0.6
81.07065	1.6
85.02870	0.6
88.40553	0.6
91.05502	1.1
93.07027	1.2
95.08631	0.8
105.07038	1.4
107.08582	1.4
109.10186	1.1
119.08602	2.1
119.27145	0.6
121.10192	0.9
131.08601	0.8
133.10132	0.7
135.11652	0.7
145.10098	0.8
173.13303	1.1
175.14874	0.7
185.13359	0.7
195.14568	0.6
196.16553	0.8
196.85773	0.6
230.12827	0.8
253.71774	0.7
467.31470	1.1
495.30838	1.9
513.31329	100.0
514.31543	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47871	0.6
67.05500	1.3
67.88785	0.6
69.07064	0.9
70.22692	1.6
79.05473	1.0
81.03382	0.7
81.07037	1.1
88.10125	0.6
91.05452	1.0
93.07056	1.1
95.08624	1.0
95.66883	0.6
105.07040	0.7
107.08585	1.1
109.10136	1.0
115.65990	0.7
119.08578	1.6
121.10107	1.0
131.08569	0.7
133.10117	1.1
135.08017	0.7
145.10097	0.7
149.02260	0.7
149.13229	0.6
161.13130	0.7
214.02226	0.7
340.03461	0.7
415.60507	0.7
456.47498	0.8
495.30881	0.9
513.30334	100.0
514.30981	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.8
56.44862	5.6
59.13573	5.4
61.02924	14.1
67.05511	37.9
69.03429	10.6
69.07063	19.2
70.71870	15.8
72.89627	6.1
79.05495	31.2
81.03422	8.2
81.07062	46.6
83.08640	6.6
85.02908	14.9
86.55320	4.7
88.20253	4.9
91.03979	7.7
91.05492	36.7
93.07043	42.2
95.04978	10.1
95.08600	24.4
97.02877	13.0
97.06524	9.7
99.08080	6.0
99.16636	5.9
104.65174	5.4
105.07037	44.4
107.08607	38.6
109.10145	16.5
117.07027	8.1
119.08591	43.1
121.06486	6.0
121.10147	34.2
124.43214	4.9
129.06993	10.7
131.08580	34.4
133.10132	31.0
135.11696	24.5
136.76152	4.8
143.08540	16.3
145.10117	20.4
145.40761	5.0
147.11661	31.5
149.13248	16.4
157.10118	16.3
159.11751	27.9
161.13281	22.8
163.14861	6.7
169.10135	9.1
171.11719	13.5
173.13281	13.5
175.14836	17.7
185.13272	10.7
187.10936	4.7
241.19492	17.9
259.20584	42.3
261.11093	5.6
277.21799	8.4
351.25348	82.0
397.94028	5.2
431.92636	6.2
495.29657	10.2
513.31818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.1
67.05507	3.3
69.03416	7.9
69.07059	4.8
70.84041	6.4
71.04988	3.7
74.93699	1.7
79.05476	10.0
81.03431	6.4
81.07072	9.8
82.85422	1.9
83.04971	2.8
83.08623	2.4
85.02442	3.4
85.02915	47.5
91.05464	13.7
93.07051	72.8
93.07652	4.6
95.08038	3.5
95.08601	20.4
97.02906	14.5
97.06517	7.3
98.77731	2.0
105.07038	5.9
107.08602	91.9
109.02866	3.8
109.10188	14.7
119.08578	3.5
123.11743	5.1
127.03944	7.8
134.65485	2.3
135.11700	100.0
145.04959	17.3
152.07283	2.1
153.12762	29.3
163.06035	6.4
165.49939	2.2
169.45407	2.2
171.13811	19.5
172.84372	2.0
182.11568	2.5
226.07631	1.9
279.92282	2.4
281.08289	1.9
360.09528	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.05487	6.4
57.03437	4.0
61.02928	6.9
67.05508	4.5
69.03419	11.4
69.07060	3.6
69.69245	3.2
69.70344	13.1
71.04988	4.6
73.58188	3.4
79.05487	10.5
81.03423	6.8
81.07037	7.0
85.02376	4.9
85.02908	100.0
86.93689	3.1
91.03891	4.4
91.05482	16.0
93.07051	52.1
95.04975	3.8
95.08613	8.6
97.02898	20.1
97.06528	3.6
98.27929	3.4
99.04443	3.8
105.04534	4.6
105.07030	6.3
107.08603	63.7
109.02862	8.0
122.79164	3.5
127.03916	26.8
135.11708	46.7
145.04970	52.8
149.05971	4.5
153.12730	7.0
161.06007	11.7
163.03952	5.8
163.06041	25.3
167.07028	5.8
176.10332	4.2
177.05501	4.3
189.09079	6.3
207.10193	11.4
223.28584	4.0
241.08578	6.0
325.11227	9.7
326.83469	3.9
432.65009	3.6
446.80383	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	512.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
54.36416	3.4
57.03453	5.4
61.02923	8.0
67.05496	7.6
69.03426	13.3
69.07063	4.5
69.55856	6.8
69.56260	16.3
79.05492	10.6
79.92408	3.4
81.03424	9.7
81.07056	10.9
85.02911	100.0
85.52296	3.1
91.03949	10.3
91.05471	17.2
93.07053	67.7
95.04976	5.4
95.08603	14.4
97.02903	26.2
97.06566	4.1
105.04533	3.3
105.07030	8.7
107.08609	76.6
109.02895	9.2
109.10149	6.1
119.08617	3.8
120.90417	2.9
121.68882	3.4
127.03943	24.1
135.11691	54.1
135.68660	2.8
140.93770	2.9
145.04967	55.9
145.06059	5.7
153.12761	12.7
161.05974	9.0
163.03893	4.4
163.06046	23.1
163.07361	5.3
166.15567	3.4
189.09047	6.1
207.10211	7.7
219.89523	3.3
233.53522	3.5
241.08629	6.2
325.11371	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	512.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	5.3
55.01870	2.4
55.05516	5.1
57.03440	4.0
57.52592	2.0
57.64040	2.1
61.02922	7.1
67.05489	6.2
69.03432	14.6
69.07071	3.8
69.34651	18.1
71.05002	2.2
73.02914	2.4
79.05511	11.4
81.03416	6.6
81.07066	8.6
85.02914	99.3
87.04496	2.5
91.03961	4.1
91.05485	14.9
93.06496	4.4
93.07057	73.5
95.08636	11.5
97.02914	24.5
97.06537	5.0
98.21567	4.7
99.04471	6.2
105.07040	6.4
107.08609	100.0
109.02859	7.4
109.10161	4.6
119.08537	2.3
127.03927	23.5
135.11711	78.6
135.12744	3.8
145.04976	43.3
153.12785	17.2
163.06055	18.2
205.69843	2.2
499.03912	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01870	0.9
55.05503	1.4
57.03431	1.8
59.04998	1.4
61.02924	2.6
67.05519	0.6
68.19901	0.6
69.03442	6.1
69.07060	1.9
71.04619	0.9
71.04998	9.9
71.49870	0.7
73.02926	1.2
73.06547	2.8
79.01518	0.6
79.05495	2.6
81.03415	2.4
81.07069	13.3
83.08637	0.6
85.02914	39.1
89.17262	0.7
91.03942	1.8
91.05500	1.7
91.71751	0.7
93.07054	9.6
95.08613	2.0
97.02911	10.2
97.06541	0.8
99.04464	1.7
105.07070	0.9
107.08607	8.0
109.02882	3.8
109.10147	2.0
121.26273	0.6
127.03941	9.6
135.04425	0.7
135.11705	18.1
137.35185	0.6
145.04980	18.3
153.12761	100.0
154.12996	0.7
163.03966	3.6
163.06020	8.3
171.13895	1.4
289.09052	0.8
308.27475	0.6
318.35959	0.6
325.11429	1.3
510.08771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57075	0.8
53.03946	1.5
55.05517	1.7
58.34304	0.8
61.02911	0.8
62.84784	0.8
63.12190	0.8
67.05511	2.4
68.99816	1.0
69.03437	2.7
69.07063	1.6
69.29046	5.7
69.29468	1.7
70.06593	1.0
71.04987	1.4
75.19332	0.9
77.21956	0.8
79.05491	6.9
81.03426	3.8
81.07071	3.8
85.02908	6.3
89.03927	5.6
91.05501	8.8
93.07053	17.6
95.04986	1.7
95.08632	2.7
97.02914	3.0
97.06556	2.4
98.21562	1.7
104.06250	1.0
105.04558	0.8
105.07042	3.5
107.04957	3.4
107.08598	21.4
109.02896	0.9
109.06529	1.6
109.10168	2.2
117.03397	8.3
119.04973	1.8
119.08594	1.7
121.10152	2.6
127.03933	2.3
131.04936	1.2
131.08585	1.5
132.05766	2.3
133.10159	1.6
135.04422	14.9
135.11714	12.1
139.03856	0.8
145.02869	12.5
145.04974	2.3
147.04419	10.1
147.11691	0.9
149.09683	1.0
153.01868	2.3
153.12750	2.0
154.02092	0.8
161.05922	1.7
163.03925	100.0
164.04344	1.1
165.12747	1.3
167.07028	1.4
169.10132	2.0
171.13843	1.5
177.05469	1.2
181.05028	1.4
192.07780	1.9
193.08284	1.5
204.45320	1.1
212.40721	0.9
217.04980	1.2
218.05455	1.0
237.05904	1.0
246.04874	1.4
269.15381	1.0
273.65646	0.8
274.04407	2.0
285.03928	1.1
286.04382	1.2
297.14844	1.7
301.03528	1.7
302.03879	1.5
325.09000	0.9
328.05383	1.3
408.72906	0.9
462.08926	3.3
494.11755	2.2
512.12701	16.4
512.29559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3036
Annotation	His Gln Val Lys
Peak:m/z	Relative Intensity
51.13714	0.5
54.95713	0.6
55.05508	1.4
55.19822	0.5
58.52809	0.5
64.68236	0.5
67.05495	2.3
69.03422	0.7
69.07074	0.9
69.26028	5.0
73.66899	0.5
79.05486	2.3
81.03423	1.3
81.07053	1.9
83.08597	0.8
88.19069	0.5
91.05470	1.6
91.56600	0.6
93.07037	2.2
95.04986	0.8
95.08592	2.0
98.20793	1.0
99.08126	0.8
105.07021	2.6
107.08576	1.6
109.10122	1.7
111.08061	0.8
119.08564	1.8
121.10149	1.8
123.08085	0.9
129.06938	0.7
131.08554	1.2
133.10138	1.6
135.11684	1.3
145.10104	1.6
147.11700	1.1
148.40639	0.6
149.09526	0.7
155.08461	0.6
157.10034	0.7
161.13307	0.6
173.13232	0.9
175.14868	1.3
187.14835	1.2
193.15979	0.8
211.13319	0.6
271.77069	0.6
386.96442	0.7
409.23508	1.8
439.24323	1.6
440.32483	1.7
458.33340	1.3
465.28879	0.6
476.34418	1.6
493.28738	1.3
511.30185	100.0
512.30420	3.6
536.47992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76883	0.5
70.67691	0.8
70.68019	0.6
71.89575	0.5
79.05472	0.5
81.07037	0.6
86.69520	0.5
93.07042	0.9
105.07065	0.6
119.08557	0.6
137.03624	0.5
174.66208	0.6
185.64468	0.6
467.35181	1.1
511.34067	100.0
512.34326	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31489	1.2
53.03942	2.2
55.01876	2.3
55.05507	1.3
56.96553	3.0
57.03418	4.7
60.28601	1.1
61.02934	7.9
65.03930	5.6
69.03436	15.0
69.44898	9.5
71.04980	1.9
73.02903	2.7
81.03420	8.5
83.04975	4.2
85.02911	81.0
87.04484	2.7
91.03947	3.2
93.03406	3.5
97.02895	23.4
98.97580	3.1
99.04452	3.6
108.32295	1.3
109.02872	5.5
111.04442	26.0
121.03988	2.0
127.03934	17.6
139.03912	70.7
144.06552	3.2
145.04962	31.5
147.04382	1.3
153.01854	3.2
163.03917	4.7
163.06041	7.4
171.06535	100.0
183.06438	1.2
195.06595	2.3
201.76541	1.3
207.06522	3.7
213.07646	2.7
231.02846	2.2
237.07559	5.1
247.02345	1.5
257.00824	2.8
259.02417	2.2
260.24310	1.3
261.07712	2.0
275.01825	2.2
277.03345	4.4
279.08627	2.3
297.09717	6.5
303.01358	12.7
304.01724	1.6
361.51282	1.2
366.99805	1.8
376.98154	3.0
394.99225	2.3
418.98969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07663	0.9
55.01868	1.2
56.96537	1.0
57.03434	1.8
61.02919	1.7
69.03442	6.7
70.56393	1.0
70.59664	1.0
70.99844	1.9
71.48325	1.8
73.02898	3.1
73.03282	0.8
77.39803	0.9
81.03413	2.2
82.99876	3.8
84.85712	0.9
85.02913	16.8
88.81872	0.9
97.02892	8.0
98.97572	2.7
101.00886	34.0
109.02876	3.0
110.97599	1.5
113.00874	11.0
115.02435	2.6
119.01929	29.7
125.00906	1.1
127.02455	6.7
127.03915	8.3
128.98666	1.1
129.00357	1.3
129.03957	1.3
131.01910	20.8
133.03450	4.5
135.97357	1.0
137.00856	2.3
137.02937	1.6
139.02397	3.7
140.02283	1.7
143.01906	37.2
145.03447	11.9
145.04961	4.3
146.05261	1.2
147.01407	1.9
149.02977	2.1
155.01891	30.1
157.03468	12.7
158.99655	2.9
159.01379	1.1
160.04651	1.3
161.02968	21.3
167.01910	15.3
168.98409	1.3
168.99831	17.9
169.03386	3.0
169.04364	1.7
169.05310	3.9
171.05049	2.6
173.01433	1.5
173.02968	26.5
174.03101	1.7
175.04478	4.5
177.02600	1.3
178.04794	4.9
179.01875	6.7
180.99826	3.1
181.03381	1.3
183.01366	1.0
183.05107	2.0
185.02972	48.8
186.03104	1.4
187.00888	11.6
187.04527	4.4
191.03963	4.3
193.03693	1.2
193.05492	1.3
196.99327	10.9
197.02959	18.0
198.03131	1.1
198.98996	0.8
199.00890	5.3
199.04398	1.0
200.04393	2.3
201.00815	1.6
201.02502	6.2
203.04024	17.7
205.02037	1.3
209.02975	1.5
211.04579	1.3
213.02463	3.6
215.00383	30.6
215.03886	12.2
219.01691	1.9
219.03539	3.8
221.05112	9.2
223.00909	2.1
227.00458	1.9
227.03999	9.2
229.01936	17.0
229.05473	1.6
231.03476	3.2
233.05026	1.3
235.06633	2.7
239.00372	1.6
241.01898	2.4
245.05087	100.0
246.05215	4.2
247.03008	24.4
247.06821	2.2
250.07513	4.0
251.00371	1.5
257.05109	7.6
259.03049	15.3
259.08591	10.1
259.58609	1.8
263.06097	10.5
264.57858	1.5
271.02985	10.3
271.06488	1.3
273.08142	2.4
275.06140	18.5
277.04031	3.0
281.01767	1.2
281.07028	4.2
281.57129	1.2
289.04053	12.2
293.07150	4.2
299.02487	8.9
303.05682	2.0
305.07205	10.3
313.03937	1.4
317.03674	1.6
331.01263	1.9
331.05136	32.2
335.08282	3.9
337.09869	6.9
340.10464	3.0
347.08240	1.1
349.06165	37.0
365.09406	6.6
397.11050	1.2
511.11548	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	510.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.3
55.05503	17.2
58.24724	4.1
67.05502	14.8
69.07059	14.8
70.82802	9.0
71.04992	3.6
72.58420	4.6
79.05501	27.5
81.07062	50.3
83.04950	5.1
83.08603	8.8
85.06545	9.3
91.05491	31.1
93.07051	52.1
95.04988	7.2
95.08618	49.1
97.06533	11.2
99.08092	10.7
105.07039	100.0
107.08598	66.4
109.06525	14.8
109.10164	52.4
111.08087	8.2
113.05989	4.6
117.07010	11.4
119.08601	82.4
121.06494	15.9
121.10150	56.9
123.08071	10.9
123.11698	16.7
125.09624	6.5
129.07001	8.7
130.07825	7.2
131.08583	48.3
132.09351	4.9
133.06422	7.4
133.10144	66.8
135.08058	10.4
135.11674	33.2
137.09654	35.2
137.13292	5.1
142.07741	7.3
143.08577	20.6
144.09348	4.9
145.06419	6.3
145.10141	64.8
147.08041	7.6
147.11707	49.2
149.02376	4.4
149.09610	11.6
149.13284	18.8
151.11229	10.3
155.08557	6.5
156.09320	5.7
157.10143	25.2
158.10895	9.2
159.11705	49.2
161.09616	12.3
161.13264	18.5
163.11143	15.9
163.14864	25.5
165.12830	9.1
169.10149	8.0
171.11717	15.9
173.13280	55.4
174.94791	4.0
175.11215	5.2
175.14793	29.1
177.12733	14.3
177.16408	14.6
178.48720	3.9
179.14215	5.8
183.11693	15.3
185.13268	33.3
187.14830	52.4
189.12761	4.1
189.16455	11.8
191.14288	34.9
193.15944	5.5
197.13242	5.7
199.14801	25.9
201.12784	9.6
201.16451	8.2
203.14317	47.6
205.15895	73.8
209.15393	7.3
211.14893	6.0
213.16391	17.5
215.17966	9.0
217.15903	16.9
219.13829	14.7
221.15367	17.0
223.16943	45.8
225.16388	5.5
231.17389	9.2
231.36647	3.8
237.07713	4.1
237.14847	7.3
239.18060	5.3
272.73361	4.4
291.21045	4.1
303.18863	4.5
368.89917	4.4
405.31357	16.3
423.32526	27.7
439.31775	5.8
441.33813	24.1
457.32886	12.4
458.33896	12.8
459.34906	5.1
510.33014	6.2
511.29742	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	510.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	20.8
66.78767	5.3
67.05505	29.5
69.03433	9.7
69.07065	25.4
70.55761	11.9
70.56122	10.7
71.05002	6.1
72.48396	6.3
79.05505	28.6
81.07065	45.6
83.08628	10.3
86.63783	5.4
90.96772	5.4
91.05477	31.1
93.07039	52.7
95.04961	12.5
95.08608	78.4
97.06526	17.8
99.08102	16.5
105.07028	60.8
107.04981	9.5
107.08593	100.0
109.06520	13.0
109.10147	66.0
111.08074	15.3
117.07008	13.8
119.08586	96.7
121.10146	73.4
122.56100	5.3
123.08089	14.1
123.11703	10.6
125.09609	7.5
131.08565	33.6
133.10124	80.8
135.08078	13.9
135.11671	31.5
137.06023	6.5
137.09601	22.2
143.08601	9.8
145.10136	73.8
147.08099	9.2
147.11684	28.1
149.09644	13.6
149.13297	14.9
151.11151	7.5
153.79329	6.3
154.90562	5.4
157.10117	20.4
159.11691	52.0
161.09605	12.0
161.13237	29.7
163.11166	11.2
163.14806	20.9
169.10126	13.3
171.11652	21.8
172.12489	8.9
173.13271	34.7
175.14839	30.7
177.12782	27.1
177.16362	29.1
179.14293	7.3
185.13312	12.5
187.14830	81.0
189.16443	11.2
191.14290	21.7
195.11670	6.2
195.13805	15.7
197.13229	11.6
199.14870	9.5
201.12727	13.5
201.16454	13.4
203.14275	11.3
205.15912	84.4
209.15451	11.0
209.98923	5.8
213.16461	38.4
215.14339	15.8
219.13870	18.5
223.16895	54.7
225.16183	6.6
233.15327	19.0
243.17323	11.7
251.16418	5.9
254.87866	6.0
349.25412	6.2
403.29907	15.3
421.31158	32.4
429.33371	6.9
439.32214	44.8
457.33218	99.3
475.34189	40.7
485.66693	6.4
510.28854	8.2
511.29889	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3555
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05506	0.5
56.05032	0.8
57.03441	0.5
57.07081	3.5
58.06585	1.4
59.07381	0.3
60.08168	18.0
64.63355	0.2
67.05505	1.1
67.15071	0.3
69.07067	0.6
69.73296	1.2
71.07377	6.5
71.08633	2.6
78.08463	0.3
81.07053	0.9
83.08626	0.6
85.10188	1.1
86.09712	49.0
95.08616	1.5
97.10191	0.5
98.98472	3.7
104.10751	100.0
105.07017	0.4
109.10160	0.5
125.00014	28.4
127.48001	0.3
163.01535	0.8
184.07355	95.6
239.23749	0.4
258.11075	1.2
313.27435	1.1
317.46820	0.3
327.28943	1.9
344.98981	0.3
354.47372	0.3
356.24408	0.3
358.92566	0.3
360.03079	0.3
433.27118	0.4
444.19858	0.3
492.34482	9.2
510.35590	30.1
511.35748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01860	2.8
57.03437	4.3
57.07084	1.1
61.02930	9.2
67.05508	1.5
69.03435	18.4
69.07072	29.6
70.80199	2.3
71.04993	2.7
73.02909	2.7
81.03429	7.7
81.07064	9.2
81.60773	0.7
85.02911	100.0
87.04475	1.9
91.03967	5.4
91.62529	0.9
93.07077	0.8
95.05020	0.9
95.08595	1.1
97.02897	27.6
99.04448	4.1
100.66960	0.7
107.01057	0.8
107.08573	1.1
109.02872	8.0
109.06535	1.0
109.10154	4.3
123.11713	36.5
124.12075	0.9
127.03922	27.3
144.06451	1.4
145.04965	43.1
151.11195	31.7
162.07620	1.0
163.06030	13.9
169.12215	2.6
181.44371	0.8
295.52963	0.8
313.16431	3.1
340.04971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01871	3.2
55.05499	2.2
55.33073	2.0
59.04992	9.8
60.04517	5.4
61.02919	4.3
63.76312	2.3
67.05503	5.9
69.03429	18.2
71.04992	15.9
71.49128	2.9
71.49536	2.8
73.02904	3.1
79.05478	10.2
81.03412	5.5
81.07060	26.7
82.28518	2.1
85.02909	77.8
85.53069	2.8
91.03978	2.8
91.05481	6.2
93.07036	9.3
95.04971	4.8
95.08601	6.5
97.02899	23.9
99.04469	5.3
105.07035	4.9
107.08596	13.2
109.02892	8.3
109.06502	9.3
109.10163	17.1
111.08066	7.3
115.39992	2.2
121.10120	2.4
123.08007	3.0
123.11722	30.9
127.03915	15.4
131.04991	2.4
133.10104	15.9
137.06020	2.7
145.04987	27.1
151.11194	100.0
153.12703	3.8
163.06059	14.0
163.07216	2.8
169.12230	29.8
184.85661	2.6
295.15494	3.5
313.16403	4.5
325.11139	3.8
331.17490	14.2
348.27551	2.7
350.07776	2.5
423.95169	2.9
520.95874	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
59.02431	0.4
62.12887	0.4
64.82809	0.5
67.05494	1.1
70.55373	0.9
81.07056	0.6
90.84024	0.5
91.05504	0.9
91.34443	0.4
93.07053	0.7
95.08659	0.8
98.55311	0.5
105.07030	0.7
107.08596	1.4
109.10201	1.0
119.08595	1.5
121.10166	0.8
131.08588	0.5
133.10153	0.8
135.11711	1.0
139.59723	0.5
147.11687	0.6
150.74974	0.5
161.13251	0.5
169.45676	0.5
171.11621	0.6
187.14769	0.9
205.15912	0.6
217.79510	0.5
369.59177	0.5
383.46634	0.6
443.09390	0.5
447.31775	0.5
456.31943	1.2
465.33496	1.8
474.33154	1.4
491.31555	1.4
509.32489	100.0
510.32907	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69022	24.0
53.53578	23.1
55.05512	66.5
57.58973	22.3
58.50561	23.8
60.24968	21.9
64.90739	28.4
67.05501	66.0
69.07066	50.6
71.08490	50.9
78.22461	25.7
79.05519	48.8
81.03440	32.3
81.07058	100.0
81.16608	27.0
83.04972	27.6
83.08623	33.5
84.95037	29.9
91.05492	62.2
93.07057	51.2
95.04980	41.0
95.08611	96.5
96.20267	26.8
99.08154	31.4
105.07001	39.7
107.08582	62.4
109.10162	59.5
119.08596	40.4
121.10186	35.1
121.40363	28.4
123.11633	32.5
135.11696	26.4
195.37917	28.4
293.28299	27.2
535.23920	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.8
54.81758	4.7
55.01868	15.1
55.05513	60.1
57.03428	11.3
57.07086	6.0
67.05512	70.7
69.03434	8.9
69.07078	36.8
69.84698	22.1
70.46582	4.4
71.04989	22.6
79.05499	100.0
81.03423	26.3
81.07060	89.4
83.04977	17.6
83.08636	37.2
85.02898	8.6
85.06557	10.6
91.05487	57.2
93.07057	81.0
95.04985	70.5
95.08617	41.1
97.02946	5.5
97.06540	19.6
97.10175	46.3
99.08089	6.1
99.44813	4.4
103.05473	4.8
105.07043	47.8
107.04966	47.3
107.08602	52.0
109.06538	52.1
109.10165	35.6
111.08105	14.0
111.09384	4.5
117.07035	19.1
119.08554	38.3
121.06536	41.3
121.10145	51.0
123.08087	16.1
123.11731	9.0
125.09646	37.7
128.06308	5.7
129.06979	26.0
131.08572	34.3
133.06532	7.3
133.10114	30.5
135.08064	27.0
135.11697	14.5
137.06006	9.6
137.09698	6.2
139.11229	7.6
143.08542	13.4
145.06470	14.7
145.10103	23.5
147.08080	9.6
147.11694	20.7
149.09671	23.6
151.11168	8.3
155.08562	6.4
157.10141	16.1
159.08023	8.3
159.11723	11.6
161.05957	4.9
161.09554	7.9
163.11182	14.9
167.10744	11.3
169.10170	6.1
171.11700	9.5
173.09625	5.0
173.13264	9.9
175.11153	11.5
177.12749	5.6
183.11732	6.0
187.14862	5.6
189.09105	6.0
189.11241	26.1
191.14301	12.1
193.12286	15.4
199.13344	25.2
201.12839	10.4
203.14397	6.8
205.15910	6.7
209.11667	7.6
210.16742	5.6
211.13306	14.4
215.14246	7.7
219.13806	38.2
223.13116	10.3
227.12726	9.5
228.21927	5.1
233.15410	27.6
237.14986	10.1
267.15930	11.1
273.17148	11.2
293.17496	22.6
329.30707	5.8
339.23047	6.3
349.21478	13.8
357.24109	7.1
367.22775	50.5
385.23700	36.1
403.24490	13.0
417.25967	6.8
441.26288	8.3
459.27429	40.4
477.28485	44.2
483.65179	6.3
491.22476	12.5
491.29959	25.3
509.23749	13.8
509.30792	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	509.239
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.6
69.03432	1.3
69.07072	1.1
69.92936	4.4
70.06641	0.9
71.04993	3.6
79.05494	2.1
81.07044	2.4
83.04975	1.6
85.02921	2.9
91.05479	2.6
91.57100	0.9
92.56817	1.1
93.07056	2.2
94.04186	1.9
95.08621	2.6
103.05466	2.1
105.07058	2.1
107.04948	1.9
107.08616	1.4
115.05484	1.1
117.07061	1.3
117.21246	0.8
119.04968	1.8
119.08593	2.3
121.06499	1.9
121.10142	1.0
122.03676	5.3
123.51307	1.0
127.03894	1.2
127.75127	1.0
129.06998	1.6
131.04929	2.5
131.08568	1.9
133.10118	1.1
135.04443	1.2
137.05991	100.0
138.18758	0.8
145.06406	1.0
145.10236	1.0
147.04382	1.7
147.11708	1.7
151.07524	7.9
157.06599	1.1
161.05960	9.1
161.09636	2.7
163.03885	1.2
163.07556	4.8
165.07016	1.0
165.09137	1.8
167.07045	10.9
170.24763	1.0
175.07579	4.4
177.05505	1.9
177.09103	2.3
179.07101	1.3
181.08649	6.7
189.09163	4.2
191.07068	1.5
193.08612	1.1
195.10193	1.8
205.08620	2.0
207.10201	3.8
209.08107	1.2
291.16034	1.0
500.48676	1.0
509.20389	2.0
531.31750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31601	1.6
63.15127	1.4
65.03933	2.3
67.60464	1.5
69.31367	12.0
79.05485	5.2
81.07043	2.1
86.02768	1.3
89.85541	1.5
91.05482	16.8
93.07017	2.3
94.04177	3.3
95.04954	2.1
103.05456	2.6
105.07017	6.9
107.04946	5.5
109.06504	2.1
115.05421	2.6
117.06972	4.3
119.04986	7.2
121.06499	8.5
122.03654	6.9
123.08086	3.3
128.06247	3.0
129.07027	10.3
131.04950	5.7
131.08540	3.1
133.06477	1.9
135.08064	4.2
136.05096	1.9
137.05983	100.0
143.04884	2.6
145.06464	4.4
146.03629	3.5
146.07256	3.6
147.04428	4.0
147.07997	2.5
148.05130	3.3
149.05989	4.9
151.03879	3.1
151.07556	42.3
157.06514	4.7
159.08156	1.7
160.05209	2.9
161.05986	87.1
161.09612	21.0
162.06645	2.1
163.07520	7.4
165.05598	2.2
165.06987	3.6
165.09093	4.1
167.07108	2.6
167.08534	2.7
174.06757	6.8
175.07535	29.5
177.06989	1.8
177.09135	6.1
179.08556	1.7
181.58293	1.5
187.07526	3.0
189.09105	43.0
191.08600	1.7
193.06479	2.2
194.07291	2.0
195.08305	2.8
195.10162	24.0
201.08966	1.7
202.07777	2.0
205.06415	4.4
207.10176	54.1
210.06757	1.8
213.08965	1.6
219.08081	3.1
219.10080	1.8
221.05925	3.4
222.06683	2.0
223.07559	3.0
225.09125	4.7
227.07002	2.0
233.05986	2.1
234.06767	3.7
235.07539	2.8
237.09070	5.8
239.10736	2.1
240.07933	2.0
241.08638	1.8
245.09592	2.0
247.07620	3.1
249.09180	7.4
251.07076	2.9
251.10759	2.6
253.08571	5.1
263.07178	2.4
263.10541	1.6
265.08585	9.9
266.09442	2.0
267.10132	4.1
269.08054	2.2
270.08966	3.7
273.11340	2.1
277.05646	1.5
277.08566	7.5
277.11359	1.8
279.10153	4.3
283.09689	7.0
285.11261	7.9
295.09750	2.9
297.11252	19.8
299.12799	3.9
305.11978	2.8
309.11203	5.8
311.12750	17.5
317.14026	3.0
323.12878	7.1
337.14328	12.8
341.13715	2.1
343.15454	2.8
349.14172	2.4
355.15302	13.1
367.15161	7.9
461.19278	3.0
479.20786	4.2
491.20709	2.6
509.21167	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	509.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03977	1.4
69.15553	13.7
69.15890	2.8
79.05492	3.9
81.07065	2.2
82.86780	1.2
85.50584	1.1
91.05486	12.4
93.07021	1.8
94.04193	1.3
95.05001	2.3
98.20776	1.9
102.90012	1.5
103.05486	3.5
105.07031	4.4
107.04968	5.4
107.08562	1.8
109.06544	1.6
115.05473	4.3
117.06969	2.9
119.04935	6.1
121.06549	3.7
122.03663	4.8
123.07992	1.5
127.39001	1.4
128.06287	2.3
129.07022	10.2
131.04935	5.1
131.08618	3.7
133.06557	2.2
135.08047	1.7
137.05986	54.9
145.06508	3.3
146.07254	3.6
147.04401	1.8
147.08089	1.9
148.05118	1.5
149.06018	3.0
151.03952	3.2
151.07544	27.6
157.06482	3.5
159.08032	1.6
159.85089	1.3
161.05989	100.0
161.09627	18.9
163.07555	5.5
165.06941	1.7
165.09172	3.1
167.54860	1.2
174.06804	3.5
175.07571	16.1
177.09137	4.1
179.08650	1.8
189.09122	50.7
191.06981	2.3
195.10138	12.9
205.06427	2.2
207.10170	62.2
210.06683	1.7
219.08130	1.4
219.09973	2.9
221.06024	1.7
223.07545	2.2
225.09183	2.8
235.07458	2.2
236.08226	1.9
237.09116	3.9
247.07568	2.3
253.08650	4.0
265.08566	6.9
267.10199	2.7
269.08054	1.3
269.11917	1.3
270.08954	2.8
273.11584	1.4
277.08597	3.5
279.10260	2.4
283.09589	3.0
285.11389	6.3
296.10349	1.5
297.11203	10.3
299.12787	2.1
305.11923	1.9
309.11105	1.9
311.12885	9.2
317.13943	1.9
323.12836	2.3
337.14493	8.8
355.15433	5.8
367.15646	3.2
468.52643	1.5
479.20645	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
51.09380	0.5
51.43422	0.5
53.03943	1.3
53.75411	0.6
55.01879	0.8
55.05503	0.6
67.05507	1.0
69.03394	0.6
69.07072	0.7
69.28243	2.2
69.28669	3.0
77.03957	0.7
78.04710	2.6
79.05519	3.1
81.07051	2.7
91.05494	4.8
93.07059	1.1
94.04173	1.0
95.04953	1.5
95.08592	1.2
97.06534	0.6
103.05455	1.6
105.03394	1.5
105.07032	2.7
106.04173	1.3
107.04940	4.0
110.04375	0.6
117.07062	0.6
119.04934	1.8
119.08597	1.2
121.06526	1.6
121.10173	1.4
122.03645	1.3
123.04444	4.8
123.08109	0.7
124.05219	2.1
125.06030	1.1
128.06261	0.8
129.07048	1.5
131.04924	0.9
131.08623	1.1
133.02864	19.0
133.06483	1.5
135.08055	1.0
137.05994	13.0
147.08076	0.7
147.11673	1.0
149.05991	2.4
150.06723	0.8
151.03934	1.6
151.07562	7.8
152.04681	2.0
153.05525	2.1
157.06483	1.3
161.05968	3.8
161.09639	0.9
163.03947	0.7
163.07626	1.2
165.05490	3.6
165.06860	1.0
165.09122	1.6
167.07057	100.0
174.06712	0.9
175.07564	2.7
177.05501	1.3
178.07829	0.8
179.07028	0.6
181.06557	0.8
181.08607	1.8
189.09097	2.9
193.06744	0.6
193.08592	3.3
195.10194	2.0
195.38931	0.6
207.10217	0.6
211.07697	1.2
211.09669	3.7
221.06070	0.7
221.09624	1.1
223.07582	1.3
224.08534	0.8
225.09128	1.1
235.07471	0.7
237.09125	1.3
239.07045	0.9
239.10765	0.7
240.07645	1.0
241.08540	0.9
249.08983	1.5
251.07027	0.7
253.08725	1.1
254.09270	0.6
255.09985	0.8
265.08533	0.8
265.12762	0.7
266.09503	0.9
267.10205	2.5
269.08026	1.0
271.09784	0.8
277.08655	1.0
281.08322	0.9
283.09610	1.5
285.11359	1.1
295.09805	1.9
297.11322	1.4
299.12674	1.9
300.09970	1.1
309.11194	2.5
317.13971	0.7
327.12238	1.6
344.16116	0.9
345.17032	2.5
353.13974	0.9
357.16953	1.6
359.14938	9.7
403.15335	0.9
491.20496	2.2
509.21716	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	509.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39264	0.2
53.03941	0.5
55.05508	0.3
56.29102	0.2
59.27751	0.2
59.56245	0.2
67.05502	0.3
69.45551	1.6
71.04935	0.3
78.04721	2.0
79.05495	1.3
80.48486	0.3
81.03424	0.3
81.07053	0.7
91.05470	2.1
93.07037	0.8
95.04990	0.5
95.08600	0.4
103.05492	0.5
105.07023	1.1
106.04177	1.3
107.04960	1.7
107.08591	0.4
115.05455	0.3
119.04944	0.8
119.08586	0.3
121.06503	0.9
121.10166	0.3
122.03646	0.5
123.04433	5.4
123.11762	0.4
124.05197	1.6
129.07034	0.6
133.06512	0.9
134.03580	0.4
135.04395	0.4
137.05983	1.9
137.09569	0.2
147.04428	0.5
147.07936	0.2
147.11665	0.4
149.06018	1.2
149.09721	0.3
151.03891	1.1
151.07565	2.2
152.04691	1.5
161.05992	1.4
167.07051	100.0
168.07503	0.4
175.07581	0.8
179.07066	0.4
181.08618	1.2
189.09152	0.4
193.08617	3.1
211.09653	2.8
229.14244	0.3
299.12955	0.7
305.00500	0.2
399.54358	0.3
509.20776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89766	0.4
62.81648	0.4
70.47551	1.1
97.08647	0.4
98.21355	0.5
98.97569	1.8
101.00878	1.5
116.98625	1.1
119.01945	4.2
128.90611	0.4
134.99785	0.8
136.66125	0.4
137.02913	0.6
140.98772	0.4
158.99899	0.8
165.99725	0.5
177.00958	10.4
182.99921	0.6
201.00946	2.6
208.70807	0.4
216.98912	0.8
217.04144	2.5
217.99094	0.4
219.02023	22.6
220.02011	0.7
224.00209	0.4
225.00816	2.8
235.00040	1.9
236.00163	0.9
236.99847	1.1
240.99036	1.5
241.99092	1.1
242.99332	0.6
243.02011	15.4
244.02155	0.8
258.99945	6.1
260.00104	3.7
261.03079	100.0
262.03189	4.5
263.03101	1.1
264.99033	0.5
274.97769	0.6
277.01001	3.7
278.01047	2.0
279.00854	2.5
283.00003	13.3
284.00128	8.4
284.04681	1.8
284.99854	6.3
285.99860	0.9
300.98041	0.6
301.01083	9.9
302.01190	7.2
303.00888	5.0
304.00928	0.9
305.00742	0.5
318.98734	0.5
358.47308	0.6
358.96658	0.7
359.00510	0.6
359.96808	0.6
361.00085	2.1
367.02136	3.3
383.00327	0.5
384.00241	0.7
385.03333	27.0
386.03250	1.2
387.03528	0.4
391.98187	0.5
396.94925	0.5
401.01633	2.2
402.01480	2.3
402.99951	2.9
403.04932	17.4
404.04736	0.6
406.99957	0.8
407.08170	0.4
408.04700	0.9
416.48477	0.5
425.01276	3.2
426.01361	5.7
427.00998	1.2
443.02332	3.2
444.02475	8.5
445.02078	1.9
446.01300	0.6
446.99838	0.9
496.98917	0.6
499.49219	0.6
499.99240	0.8
509.03580	9.3
509.50113	0.5
510.03262	0.7
518.00513	0.8
526.94427	0.5
527.01270	5.9
528.01349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.5
67.05513	13.2
69.07062	8.4
69.74519	31.2
79.05493	9.2
81.07069	16.8
83.04987	6.7
91.05489	14.9
92.79391	4.8
93.07044	22.2
95.04944	9.1
95.08600	22.5
99.08105	100.0
105.07045	20.7
107.08595	29.9
109.06541	6.2
109.10164	19.5
111.08035	8.5
119.08556	24.2
121.10187	27.0
123.08110	4.7
123.11745	7.6
127.07557	57.7
131.08597	19.2
133.10144	20.6
135.08110	6.2
135.11702	10.7
145.10120	24.6
147.11696	12.3
149.09631	8.6
157.10136	9.5
158.11020	5.3
159.11725	13.0
161.09634	6.8
161.13289	9.0
163.14775	9.6
171.11685	7.9
173.13304	18.1
175.14806	11.5
177.16476	10.9
185.13338	8.6
187.14799	29.8
189.16551	7.1
191.14250	10.1
203.14268	9.1
205.15955	26.3
215.14362	10.5
217.15889	6.6
223.16980	15.4
233.15422	17.8
237.33398	5.3
251.16437	15.8
263.76154	5.4
297.68109	5.8
313.95651	5.1
419.29480	10.8
437.30478	19.8
455.31570	46.8
473.32526	18.3
508.29352	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	508.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12297	4.7
51.99986	5.0
55.05516	7.1
58.73377	5.1
60.01046	4.4
67.05496	14.5
69.07063	14.3
70.45190	15.9
70.45547	5.9
79.05479	19.9
81.07061	20.9
83.04964	6.3
83.08607	11.0
85.06542	8.5
91.05486	16.7
93.07043	19.1
95.08620	35.4
97.06528	5.5
99.08102	29.4
99.08627	4.9
105.07036	37.6
106.97696	4.7
107.08610	55.5
109.06491	7.0
109.10154	29.7
111.08057	7.0
117.07031	6.2
119.08575	47.9
121.06505	13.2
121.10172	40.3
123.08059	14.3
123.11714	9.9
127.07527	6.8
131.08591	23.4
133.10114	31.9
135.07997	14.2
135.11694	12.3
137.09596	17.1
143.08533	11.6
145.10115	39.6
147.04382	7.9
147.11697	15.6
149.09633	9.9
149.13264	10.0
151.11136	9.7
157.10139	13.8
159.11723	22.4
161.09602	6.0
161.13272	16.0
163.07556	5.7
163.11182	9.2
163.14845	13.7
171.11655	11.6
173.13293	27.4
175.14804	17.9
177.16393	17.6
183.11642	6.1
185.13243	12.0
187.14838	50.4
188.29276	5.0
189.12723	9.4
189.16464	6.5
191.14331	12.0
199.14783	5.8
201.12820	6.3
201.16370	10.0
205.15884	63.9
213.12700	5.4
213.16365	5.8
217.12271	18.9
219.13840	5.7
223.16913	33.8
229.15816	7.5
235.13217	6.9
241.15547	5.3
259.17007	10.3
395.39948	5.2
401.28503	8.1
409.30527	5.6
413.30618	5.6
419.29382	11.4
437.30646	26.4
455.31628	100.0
473.32590	78.5
473.99652	5.0
491.34271	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	508.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.0
56.05037	0.5
57.07067	0.3
57.20630	0.2
58.06607	0.5
59.07393	0.3
60.08163	5.6
67.05497	0.7
69.07056	0.5
69.15544	2.5
71.07378	3.3
72.08163	0.2
79.05478	0.7
81.07067	0.9
83.08606	0.4
86.09710	31.7
91.05487	0.4
93.07052	0.9
95.08610	0.9
97.10183	0.3
98.98473	4.1
104.10737	2.6
105.07017	0.4
107.08620	0.3
107.53835	0.2
108.08956	0.3
109.10154	0.5
120.49386	0.2
125.00011	22.0
131.08566	0.3
174.82776	0.2
184.07349	100.0
185.07635	0.6
203.40730	0.2
262.22559	0.2
275.35071	0.2
336.26248	0.8
428.41696	0.3
447.32034	0.6
490.32840	1.0
508.33636	1.3
509.32224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88728	0.4
55.05512	1.9
56.05038	1.0
57.07077	0.8
58.06610	1.2
60.08169	16.2
62.73639	0.4
67.05499	1.6
69.07085	2.5
71.07384	6.6
79.05487	1.2
81.07056	1.5
83.08625	1.4
86.09713	48.5
91.05516	0.5
93.07041	1.5
95.08614	1.4
97.10161	0.7
98.98482	4.4
104.10749	97.8
105.11109	0.5
107.08622	0.4
121.10188	0.9
125.00012	29.8
149.13358	0.5
163.01596	0.7
167.33453	0.4
182.98744	0.4
184.07353	100.0
249.93469	0.4
258.11111	0.9
325.27423	1.4
490.33020	9.3
505.56903	0.4
508.34091	25.5
509.33627	0.7
533.10986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28384	1.0
57.03414	1.4
61.02916	1.7
61.53040	1.2
67.72154	1.2
69.03421	5.2
69.96355	5.3
81.03418	2.6
81.64405	1.2
85.02915	13.2
88.47331	1.3
97.02902	4.6
98.94305	1.1
110.44047	1.3
110.81223	1.1
112.48305	1.3
127.03963	3.4
136.26073	1.1
145.05006	2.0
147.04427	1.7
151.03911	2.9
153.06958	2.4
163.03925	2.4
165.07094	2.3
167.08559	9.2
171.08133	2.9
177.07014	5.1
178.07823	2.8
179.08562	3.6
181.06485	1.7
181.10094	1.2
183.08015	1.9
191.08589	10.2
193.10188	2.9
194.07314	2.9
195.08086	19.3
199.07643	3.3
207.08067	4.4
208.08835	3.3
209.09653	5.8
219.08086	24.0
221.09618	3.2
223.07582	5.1
224.10789	1.7
227.07004	5.7
236.10728	4.6
237.09117	33.6
238.12175	4.0
241.08621	4.1
247.07567	1.4
254.11768	13.6
265.08527	5.6
269.08096	2.3
271.09711	1.2
282.11206	1.5
283.09641	25.9
287.09137	16.6
300.12323	74.3
311.09219	2.8
312.12335	1.3
329.10291	13.5
346.12885	100.0
472.16040	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	507.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
53.64657	1.5
55.01881	1.7
55.05511	17.2
57.03442	4.3
57.06796	2.4
57.07081	47.7
60.15745	1.5
65.03928	2.2
67.05507	55.9
68.39032	1.7
69.07072	22.7
71.04999	3.3
71.08633	30.8
71.23920	4.1
71.24261	2.1
72.81851	1.7
79.05497	22.5
81.03419	9.3
81.07060	80.1
82.03748	4.1
82.07383	2.5
83.05008	3.7
83.08624	25.9
85.06574	4.5
85.10197	15.8
91.05486	19.1
93.07052	34.5
95.04979	3.7
95.08608	38.3
95.09179	2.7
96.69743	1.6
97.03884	1.8
97.06552	7.9
97.10178	11.7
99.08103	1.9
103.05265	1.7
105.04564	1.7
105.07046	7.7
107.08605	18.9
109.10153	17.9
109.10763	2.1
111.08103	5.6
111.11755	3.0
117.07032	5.3
119.08612	5.4
121.10149	11.1
123.11736	8.8
131.08600	7.8
133.10136	10.9
135.11739	6.3
137.13319	3.0
149.13245	22.9
151.11197	2.4
151.41022	1.7
159.11737	7.7
167.14354	2.2
177.12811	2.8
195.13850	10.7
239.23703	9.6
507.40546	100.0
508.41229	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	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	20.4
67.05504	23.6
69.07052	26.8
69.34664	69.6
69.35017	13.8
73.23148	7.8
79.05486	20.9
81.07075	49.3
83.08613	21.2
87.48813	6.8
91.05485	38.9
93.07054	50.1
95.04988	12.4
95.08619	68.2
105.07042	62.2
107.08605	75.3
109.10154	32.7
111.08088	15.5
113.22102	7.5
117.07005	11.2
119.08582	100.0
121.06522	11.7
121.10131	53.1
122.57579	8.6
123.08121	8.6
129.07066	9.4
131.08557	32.1
133.10141	73.7
135.11688	33.8
137.05972	33.4
137.09586	9.2
143.08563	18.2
145.10123	35.9
147.11731	39.6
149.09627	10.4
149.13284	19.1
151.07574	19.3
157.10124	24.9
159.11736	49.5
161.09608	12.1
161.13278	21.1
163.14825	20.6
167.10742	9.8
171.11656	15.2
173.13287	43.0
175.14824	20.7
177.16402	13.5
185.13271	21.8
187.14868	34.0
189.16446	14.9
191.14272	23.1
199.14873	15.7
203.14294	18.4
203.17961	81.0
205.15843	17.1
213.16414	16.9
217.15846	9.6
221.15421	34.8
221.18967	10.7
223.16914	11.1
227.18037	8.4
235.16867	10.1
249.18495	23.1
319.54825	9.7
407.33200	13.4
423.32736	11.0
425.33997	30.1
435.32605	16.4
441.33853	9.4
453.33615	31.4
471.34665	26.9
507.33627	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	507.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
53.37189	1.1
55.01872	1.6
55.05513	20.0
57.03444	4.1
57.07079	39.4
61.86495	1.0
65.03944	1.5
67.05507	62.8
69.07070	25.5
69.17307	9.0
69.17723	2.2
71.04998	3.1
71.08633	27.6
79.05494	28.3
81.03445	3.7
81.07059	67.5
82.03754	1.2
82.07419	1.6
83.04993	4.7
83.08624	22.6
85.06551	4.4
85.10185	15.1
91.05481	14.7
93.07047	37.3
95.04996	3.4
95.08611	39.1
96.08942	1.2
97.06525	7.1
97.10162	10.2
99.08121	2.4
105.07044	8.0
107.05008	1.1
107.08594	21.1
109.06553	2.9
109.10152	21.9
111.08109	5.4
111.11736	2.5
117.07047	5.3
119.08613	3.6
121.10150	11.9
123.11700	8.6
125.09647	2.1
131.08554	5.1
133.10115	6.0
135.11713	6.8
137.13268	2.3
139.11230	1.4
147.11803	1.3
149.13269	25.7
149.14366	1.6
151.11256	1.6
159.11702	10.5
163.14864	1.2
177.12805	5.6
183.78079	1.0
193.12161	1.2
195.13838	9.3
198.07043	1.0
213.14876	1.4
229.14359	2.0
239.23680	10.5
252.18694	1.0
261.22339	3.0
279.23071	1.1
335.26086	1.9
489.36063	3.0
507.40582	100.0
508.40781	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	507.3688
Annotation	Lycernuic acid D
Peak:m/z	Relative Intensity
52.05477	2.4
55.05511	31.9
57.07082	5.6
59.05001	2.9
67.05502	13.8
69.07081	14.1
79.05489	19.6
81.07059	31.9
83.04980	5.9
83.08620	20.4
86.91631	2.6
91.05486	17.6
93.07043	35.5
95.04967	6.8
95.08614	36.3
97.06540	5.2
98.21637	6.0
99.08104	8.2
105.07042	41.0
107.08604	41.3
109.06528	7.0
109.10172	35.5
109.67731	3.0
111.08082	14.6
117.07011	5.5
119.08585	52.1
121.06496	6.2
121.10155	45.6
123.08079	11.6
123.11720	10.0
125.09650	5.0
127.07493	3.4
129.07024	2.9
131.08585	23.0
133.10133	40.7
135.07172	3.1
135.08040	19.3
135.11711	20.4
137.05983	3.8
137.09636	7.4
137.13203	3.0
139.07487	2.8
139.11142	3.4
142.07832	3.2
143.08585	10.4
144.09436	2.7
145.10135	36.1
147.08095	3.6
147.11707	33.5
149.09642	12.6
149.13289	21.7
151.11212	4.7
156.09369	2.8
157.10135	12.9
159.11705	31.9
161.13252	11.0
163.11157	4.4
163.14821	23.8
169.10143	4.4
171.11699	12.2
173.13268	14.3
175.11206	4.7
175.14828	10.9
177.12732	4.3
177.16376	18.2
179.14319	3.3
183.11728	5.4
185.13283	7.3
187.11154	3.1
187.14813	42.5
189.16359	19.0
191.14276	5.1
191.17963	4.2
197.13266	6.3
199.14886	8.2
201.12709	3.2
201.16385	25.8
203.14336	6.0
203.18024	4.4
205.15875	53.7
213.16435	7.7
215.18127	4.3
217.15939	7.6
217.19380	3.5
219.17493	6.8
223.16928	36.2
224.17401	3.2
229.15866	4.2
229.80116	3.4
230.81053	3.1
231.17494	5.7
235.16997	8.1
241.19496	3.3
246.15623	3.0
255.21130	4.4
379.26398	3.2
389.26694	5.5
389.31845	3.2
407.27850	9.3
407.33185	10.6
425.34515	20.1
426.34732	3.0
435.32816	8.3
443.35220	29.9
453.34238	15.6
461.35953	6.0
471.35236	37.6
489.36002	100.0
505.68524	3.4
507.28571	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	507.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	17.1
67.05506	22.3
69.07067	23.0
70.55606	23.3
71.72404	8.7
79.05500	34.7
81.07081	49.7
83.08640	9.2
91.05486	40.7
93.07070	56.8
95.04984	12.2
95.08610	65.3
99.08118	11.8
101.98272	8.4
105.07056	63.1
107.08612	74.0
109.06561	17.9
109.10175	36.9
110.28622	6.7
119.08588	100.0
121.06557	9.2
121.10172	66.4
123.08076	8.2
123.11689	15.7
131.08627	39.7
133.10143	81.2
135.11685	18.9
137.05934	8.5
137.09636	10.3
143.08658	15.3
145.10147	60.9
147.11685	42.2
149.09654	11.2
149.13364	8.7
153.09068	10.7
157.10172	27.3
159.11714	46.5
161.09608	10.2
161.13266	25.5
163.11188	8.8
163.14850	21.9
167.10718	11.2
171.11716	14.1
173.13269	41.4
175.14839	31.0
185.13275	17.0
187.14793	36.4
189.16406	16.9
191.14389	23.5
191.17953	8.2
193.12151	8.7
197.13196	8.3
199.14876	14.0
203.14542	15.8
203.17975	67.3
205.15958	20.9
205.19560	12.3
213.16350	21.1
217.15977	16.2
221.15392	27.7
231.17427	11.4
249.18536	24.8
320.61191	8.0
423.32532	18.7
425.34464	37.2
453.33521	30.4
471.34479	34.9
507.22034	15.0
507.33057	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	507.369
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
50.16674	5.2
53.03931	5.2
55.01871	5.7
55.05515	33.2
65.03912	5.2
67.05508	27.5
69.03428	9.4
69.07082	29.1
69.07368	5.3
75.44573	6.4
79.05491	37.0
81.03426	7.6
81.07063	69.8
83.05046	5.6
83.08617	21.4
89.24844	5.2
91.05473	43.9
93.06490	6.6
93.07050	67.5
95.04958	12.3
95.08618	71.5
97.06529	9.1
97.10192	5.8
99.08128	11.5
102.05454	5.6
105.06393	9.5
105.07041	84.2
107.08601	80.6
109.06483	17.9
109.10163	44.5
111.08078	18.4
117.07034	11.7
119.08591	100.0
121.06527	20.9
121.10155	65.4
123.08071	12.3
123.11722	14.8
125.05994	8.2
125.09620	11.6
127.07484	5.6
128.06200	5.8
129.06989	6.0
131.08566	48.3
133.10155	83.0
134.23166	5.6
135.08115	11.1
135.11700	39.0
137.05992	20.8
137.09651	9.9
143.08578	20.4
145.10118	50.0
147.08031	8.1
147.11708	47.0
149.09616	16.9
149.13309	15.0
151.07498	9.8
151.11185	7.2
153.09103	6.5
157.10107	31.0
158.10944	7.1
159.08118	7.0
159.11742	49.0
161.09625	15.8
161.13268	20.7
163.11195	10.2
163.14827	16.8
165.09149	10.1
167.10727	9.4
169.10020	7.9
171.11717	18.5
173.09680	6.6
173.13303	49.4
175.11217	10.1
175.14861	22.6
177.05432	5.5
177.12781	6.9
177.16365	6.7
183.11702	8.3
185.13245	20.6
187.14873	41.4
189.16418	29.5
191.14349	19.9
191.18021	8.0
193.12225	9.5
197.13345	8.4
199.07576	8.6
199.14795	11.9
201.16457	13.1
203.14301	18.2
203.17995	69.7
205.15884	18.5
213.16380	16.5
217.16022	7.1
221.15384	39.7
221.19011	8.4
224.49823	5.4
227.17860	7.2
229.03256	8.6
231.17468	13.1
235.17024	6.9
237.18449	5.1
249.18517	34.3
377.32272	5.7
389.32120	6.0
395.32974	8.7
407.33047	15.0
423.32611	18.3
425.34479	34.0
435.32919	11.8
441.33740	9.8
453.33688	15.3
471.34543	26.8
489.31934	19.1
507.21841	16.1
507.28827	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	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01874	1.6
55.05276	2.1
55.05516	25.2
57.03431	9.3
57.07064	5.9
59.05000	2.2
65.03942	3.1
67.05507	100.0
69.03417	1.4
69.07069	16.1
69.73530	4.3
69.73941	2.5
71.04991	3.3
71.08638	3.2
79.05495	29.0
81.03401	4.7
81.07059	61.1
82.07372	1.4
83.04953	2.9
83.08627	19.4
85.06549	3.4
85.10188	1.6
91.05489	20.8
91.81980	1.2
93.07047	33.3
95.04960	4.4
95.08611	41.1
97.06556	2.8
97.10174	16.8
99.08115	3.0
104.23555	1.4
105.07020	16.0
107.04929	1.3
107.08599	24.3
109.06521	2.0
109.10161	58.9
111.08083	5.0
117.07027	8.1
119.08586	16.6
121.10155	18.1
123.11713	9.0
125.09634	10.5
129.06993	3.0
131.08585	13.5
133.10126	12.2
135.08078	2.6
135.11708	13.0
137.09621	3.3
137.13261	2.8
139.11192	1.9
143.08624	1.5
143.60345	1.5
145.10110	9.3
147.11687	9.1
148.22122	1.3
149.13217	6.5
151.14778	1.6
153.09119	1.3
155.10695	4.6
157.10167	3.1
159.11703	8.1
161.13301	7.2
163.14822	5.2
169.10069	2.1
171.11667	1.8
173.11740	13.2
173.13243	7.4
175.14783	2.1
177.16307	2.0
179.14206	1.7
185.13251	3.2
187.14871	4.4
189.11267	8.5
189.12724	1.9
195.00246	3.5
199.14787	2.3
201.16426	1.7
211.14799	1.6
213.16507	2.2
227.12701	10.1
229.14349	32.1
231.15889	2.7
233.22691	1.4
241.19458	1.6
243.21098	3.8
255.21069	1.4
259.20670	2.7
261.22171	27.6
263.23697	2.8
279.23175	2.9
299.23547	1.8
317.24774	5.0
333.24210	1.4
335.25769	17.3
346.55060	1.4
360.70065	1.8
379.29922	3.0
385.49561	1.4
397.30951	5.6
415.32138	8.7
433.33151	6.6
456.97821	1.3
471.34644	3.2
489.35760	37.5
507.25977	3.1
507.36588	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	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57323	1.8
53.03938	5.2
53.68272	1.8
55.05524	11.1
57.03446	8.8
62.88807	2.3
62.97460	1.7
65.03961	2.6
67.05511	43.1
69.07083	14.3
71.42671	1.8
71.50978	2.9
79.05500	31.5
81.07061	49.7
83.08614	5.7
91.05481	18.9
93.07050	38.2
95.08611	39.2
97.06535	3.0
97.10151	3.0
98.98476	57.4
105.04491	2.1
105.07055	11.3
107.08595	18.7
109.06477	2.5
109.10177	15.1
117.07018	5.2
119.08567	12.5
121.10150	16.3
123.11703	6.5
129.06975	2.4
131.08582	6.6
133.10135	10.0
135.11700	13.1
138.05420	2.0
145.10121	7.8
147.11717	9.5
149.13266	6.1
155.01059	18.0
157.10172	2.4
159.11726	5.4
161.13228	7.2
163.14804	4.0
173.02084	8.2
173.13281	3.8
175.14780	3.6
184.07304	5.1
187.14767	2.6
211.03737	1.9
243.21136	7.3
247.05833	4.5
261.22119	15.6
317.24768	14.1
327.13144	2.3
335.25815	100.0
336.26056	3.5
422.21945	2.2
470.85913	2.2
471.25244	3.9
507.30612	8.3
507.38992	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69278	5.0
53.03939	6.5
55.05520	9.8
55.98469	4.4
67.05508	14.9
69.07068	13.7
70.41832	19.5
79.05499	19.9
79.77299	6.4
81.07047	23.6
83.08607	11.7
91.05488	23.7
93.07062	37.0
95.08632	21.2
99.08102	8.5
105.07027	39.2
107.08611	63.5
108.08894	7.9
109.10148	24.2
119.08582	30.0
121.10148	42.6
123.11716	17.7
131.08580	17.3
133.10161	26.5
135.11702	63.3
137.09669	6.4
143.08542	10.5
145.10147	24.1
147.11713	31.0
149.13274	100.0
157.10150	15.2
159.11732	18.5
161.13274	14.7
164.15042	5.6
171.11700	22.8
173.13309	16.5
175.14871	13.4
175.53850	5.8
177.16411	13.6
180.72273	5.9
183.11746	7.2
185.13249	21.9
187.14883	20.8
189.16388	9.1
197.13179	8.4
199.14827	9.4
201.16339	14.9
204.14549	7.8
205.15906	14.5
211.14700	9.6
213.16368	11.7
227.18022	7.4
241.19664	6.7
336.14206	5.7
407.33066	22.2
435.32565	19.6
442.33807	22.1
453.33853	58.8
471.34833	18.9
488.34805	8.2
493.13889	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	506.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	16.9
63.27293	12.5
67.05505	74.9
69.07068	22.1
69.44355	93.8
71.40667	12.1
77.04904	13.5
79.05508	39.3
81.07066	86.3
83.08626	18.6
91.05468	28.9
93.07039	65.8
95.08631	59.4
98.21494	28.8
98.98489	28.5
99.08064	17.1
105.07034	49.8
107.08603	66.2
109.06499	20.2
109.10156	66.4
119.08600	68.6
121.10174	58.4
123.04437	12.9
123.08006	15.1
123.11620	15.8
125.05965	12.8
131.08571	41.0
133.10098	42.5
135.11761	34.0
139.11186	14.6
143.08530	16.8
145.10118	49.6
147.11687	26.2
149.13245	22.0
150.77582	11.0
155.10701	11.8
159.11711	38.0
159.39876	11.9
163.14793	21.6
163.84610	13.0
168.59682	12.9
170.10849	14.6
173.13301	22.0
175.14778	23.3
177.16389	33.9
184.07323	18.7
185.13382	15.8
187.14793	36.8
197.13182	15.7
199.15018	15.3
201.16385	39.5
205.15945	37.1
213.16394	14.1
215.17940	14.8
219.17400	37.6
243.17407	24.6
251.09042	13.4
261.22278	15.1
335.25839	44.8
396.54340	12.5
407.33044	42.4
425.34265	89.3
443.35089	51.1
461.36377	100.0
488.37387	67.9
506.41888	81.9
507.30688	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80692	4.4
57.03442	7.3
65.69353	4.2
68.77544	5.0
69.03427	16.5
70.77939	15.5
71.04994	8.0
77.56074	4.6
83.04979	10.0
84.30207	4.8
85.02913	26.5
91.05496	18.1
95.04982	22.2
103.05473	11.8
105.07054	11.0
107.04966	10.3
111.04471	8.7
115.05476	5.8
117.07044	8.0
119.04967	12.3
121.06505	7.6
122.03603	5.4
129.05467	9.2
129.06967	6.4
131.04929	35.7
133.06487	7.9
137.05995	99.2
145.06526	12.6
147.04430	25.7
149.06007	10.2
151.07561	100.0
157.06531	11.6
159.08076	6.7
160.05243	8.0
161.06009	13.6
163.03935	6.4
163.07567	51.8
165.09146	7.5
167.07086	10.7
174.06821	5.9
175.07562	35.0
177.05502	21.1
177.09134	14.2
179.07059	17.3
183.08006	8.4
187.07481	12.2
189.09169	17.0
191.07100	26.0
193.08650	5.2
195.06551	7.0
197.06100	5.8
197.09633	4.7
199.07594	8.2
201.09134	14.6
203.07031	8.0
203.10530	5.8
205.08720	6.5
205.12347	5.2
207.10127	8.5
215.10722	5.2
217.08632	15.0
219.10153	5.4
221.08144	6.7
229.08519	10.8
231.10179	5.8
232.16290	4.7
233.08159	11.4
233.11710	6.4
241.08569	5.6
249.11296	6.0
259.09897	6.3
275.12726	7.4
289.10696	6.5
290.25626	5.8
297.45020	5.0
306.51236	5.2
307.11884	15.4
334.72095	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	506.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37400	1.2
65.03934	1.8
67.70837	1.0
69.03428	3.7
71.49200	1.3
71.49579	1.4
81.03400	1.7
85.02923	8.6
87.53175	1.0
91.05479	5.3
91.56535	1.2
97.02897	4.1
111.04482	1.2
119.04943	18.7
123.04401	1.3
127.03898	1.8
139.03937	2.2
145.04965	3.5
147.04417	100.0
148.04756	1.3
163.06081	1.3
165.05481	45.7
179.05440	1.3
277.03122	1.8
303.01233	1.7
356.33780	1.3
420.74759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09834	0.7
53.03932	1.8
53.26378	0.8
55.01869	2.5
55.05484	0.9
57.03440	5.2
60.04534	0.8
61.02932	6.7
63.50836	0.8
63.89212	0.7
69.03436	17.0
69.58959	2.3
69.59376	2.3
71.04993	1.8
73.02908	3.4
81.03432	7.8
81.07053	0.9
83.01327	1.4
85.02914	100.0
87.04450	2.1
91.03942	4.0
91.05475	1.0
97.02902	31.7
99.04460	5.3
105.07037	12.3
109.02897	11.1
115.03892	0.8
119.08557	1.0
124.05231	12.6
127.03938	22.3
133.06511	8.4
137.05994	15.8
144.06557	1.8
145.04974	52.0
163.06027	13.6
165.09138	45.9
177.05368	1.0
177.62019	0.9
223.13271	1.4
231.10320	0.7
275.31100	0.7
325.11279	0.9
360.15359	0.8
422.72949	0.8
430.22159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56457	6.6
54.98381	5.5
55.88512	5.6
64.24937	5.9
67.05509	8.0
69.07053	5.9
69.07809	6.6
69.29948	41.7
69.30353	15.4
73.07643	6.2
79.05511	10.4
81.07049	8.1
85.10230	6.3
91.05475	12.4
93.07045	22.9
95.08607	27.3
99.08109	15.0
105.07012	23.8
107.08612	37.2
109.10163	20.5
111.08030	6.4
119.08594	55.2
121.10136	28.6
131.08565	26.7
133.10118	41.3
135.11699	17.5
145.10117	34.7
147.11694	58.5
159.11720	24.9
161.13269	12.8
163.11179	10.6
171.11647	9.8
173.13275	15.5
175.14806	16.9
177.16415	16.5
177.36478	7.2
185.13370	8.2
187.14850	51.5
189.16443	12.8
201.16379	100.0
205.15872	71.3
207.17421	17.7
213.16464	12.5
219.17482	8.3
223.16829	8.1
351.79831	7.0
407.33200	37.7
424.31314	7.8
425.34140	27.9
453.34326	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	506.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
56.05034	1.5
60.04519	3.5
65.86640	1.3
67.09003	1.4
69.03426	4.2
70.06586	2.0
71.49581	2.0
80.05022	2.3
81.03419	4.7
83.01416	1.3
84.04510	16.3
84.22984	1.2
85.02900	2.4
86.09696	2.5
94.59811	1.3
96.04496	19.4
97.02875	5.2
98.06070	10.2
99.04463	2.3
105.07011	1.4
105.37974	1.4
108.04512	1.5
109.02881	4.6
114.05505	1.6
120.08146	1.8
126.05530	29.4
127.03887	3.3
138.05511	100.0
144.06572	30.9
145.02849	2.3
150.05493	5.2
160.39296	1.3
163.03967	6.0
168.06583	24.5
177.05478	4.0
185.13356	1.4
186.07622	29.6
203.14349	2.1
204.08696	32.7
204.14728	1.8
229.05063	1.6
257.04398	1.4
303.05029	19.2
419.15866	1.2
459.33398	1.6
505.33820	1.7
506.19595	1.3
529.53387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.05515	23.1
55.62271	4.2
58.65350	4.0
59.95509	4.5
65.03930	10.1
67.05503	8.9
69.03442	35.8
71.48788	6.5
79.34119	4.3
81.03437	24.8
83.04985	98.9
85.02909	25.8
93.03423	25.7
94.03691	4.0
97.02886	47.8
99.04446	6.5
108.04461	5.6
109.02859	17.9
111.04440	53.4
119.04998	4.7
121.02850	24.0
127.03930	28.5
139.03912	100.0
145.04944	17.1
147.04417	17.0
153.01852	12.4
157.04977	47.5
163.03925	5.5
176.08878	4.6
184.14758	4.1
237.02644	6.3
255.08644	11.2
276.02646	9.7
277.03146	11.9
283.08157	11.7
300.99893	5.6
301.09232	50.2
302.00357	7.3
303.01160	22.2
319.10223	39.1
320.01120	7.6
321.01904	7.7
414.45569	4.2
488.01590	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	505.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.0
53.03952	5.2
53.19941	0.7
55.01883	4.6
55.05515	26.3
56.66169	0.6
57.03446	2.1
57.07082	30.9
65.03936	2.3
67.05508	34.3
69.03416	1.5
69.07073	28.8
71.04987	2.0
71.08639	18.5
71.27679	1.2
79.05498	21.0
81.03425	58.8
81.07062	40.0
82.80466	0.8
83.04994	4.0
83.08627	33.2
85.06520	0.9
85.10191	10.3
91.05478	19.0
92.43356	0.8
93.07050	22.4
95.04976	15.4
95.07994	1.4
95.08614	24.1
97.02890	1.7
97.06530	3.3
97.10175	15.0
99.08090	2.1
105.07034	9.6
107.04960	2.9
107.08605	9.8
109.06536	2.6
109.10157	9.7
111.08086	4.9
111.11727	4.9
115.05447	1.6
117.07034	2.8
119.08585	6.3
121.06518	1.8
121.10159	10.6
123.08114	1.1
123.11694	5.2
125.09611	1.0
125.13316	1.6
129.07033	5.8
131.08597	6.5
133.06516	2.0
133.09274	0.7
133.10123	4.6
134.98009	0.8
135.11703	3.9
137.09665	0.9
137.13300	1.7
142.07777	1.4
147.08051	1.7
147.11664	4.5
149.09636	2.6
149.13249	9.4
157.10112	6.0
159.11717	4.2
165.12749	0.9
167.05461	0.7
175.11189	6.3
177.12807	2.0
193.10493	1.0
193.12254	20.1
195.13792	4.4
211.37405	0.8
213.14984	1.4
219.21045	0.9
237.22136	7.5
239.23691	5.2
249.14857	5.4
283.17795	0.8
505.38922	100.0
506.39200	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85315	0.7
52.07893	0.7
53.03950	6.6
54.14879	0.7
54.20475	0.7
55.01863	2.5
55.05278	0.9
55.05515	15.3
57.03417	1.7
57.07078	40.2
65.03932	1.1
67.05508	30.7
69.03425	1.4
69.07068	15.4
69.46737	1.7
69.47146	3.9
70.69423	0.8
71.04977	1.9
71.08243	1.3
71.08636	26.4
79.05075	1.3
79.05498	17.1
81.03421	75.5
81.07058	34.8
83.04968	3.8
83.08618	33.8
85.06551	1.6
85.10185	14.9
91.05481	19.3
93.07046	11.5
95.04972	20.2
95.08607	28.0
97.02887	2.6
97.06553	1.7
97.10168	10.1
99.08093	1.4
99.11753	1.7
103.05476	0.8
104.92542	0.7
105.04488	0.8
105.07026	11.3
107.04977	5.0
107.05599	0.8
107.08589	5.6
109.06519	1.4
109.10163	12.9
111.04482	1.3
111.08080	7.7
111.11706	2.2
115.05482	1.2
117.07042	2.5
119.08578	11.5
121.06483	1.7
121.10121	6.7
123.08079	1.3
123.11718	5.2
125.13240	1.1
128.06226	1.4
129.07014	8.5
131.08568	8.3
133.06493	2.9
133.10144	4.9
135.11723	1.3
137.13277	2.0
142.07776	2.7
145.10144	0.8
147.08066	3.4
147.11713	5.0
148.45634	0.8
149.09627	2.5
149.13301	2.9
151.14896	0.9
157.10135	7.7
159.11670	1.7
165.12781	1.3
175.11174	9.5
179.14290	0.8
185.13278	0.7
193.12242	28.2
195.13852	1.8
221.22659	0.9
237.22147	2.9
239.23662	7.9
249.14806	6.4
445.20499	1.2
505.22656	3.1
505.38913	100.0
506.39270	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	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.2
55.01865	1.9
55.05270	1.5
55.05512	14.5
57.03434	1.5
57.07080	38.9
65.03947	1.7
65.09085	0.9
67.05509	29.0
69.03431	1.2
69.07071	12.6
71.04977	1.8
71.08636	27.5
75.73562	0.8
79.05495	16.4
80.51843	0.9
81.03423	88.7
81.06596	1.6
81.07062	29.0
83.04970	3.5
83.08623	30.7
85.06535	1.1
85.10190	14.8
91.05482	17.0
93.07050	9.3
95.04974	20.8
95.08613	27.9
97.02908	1.9
97.06538	1.6
97.10183	9.1
99.11737	1.5
103.05497	1.1
105.07041	11.6
107.04985	5.0
107.08586	3.1
109.06513	2.6
109.10166	12.3
111.08089	6.5
111.11726	1.8
115.05462	1.1
117.07046	2.3
119.08607	10.3
121.06496	2.1
121.10143	4.8
123.08054	1.1
123.11709	6.5
125.13287	2.4
128.06256	1.2
129.07011	8.5
131.08577	8.0
133.06483	3.0
133.10132	3.7
135.11655	1.8
137.09604	0.9
137.13251	3.5
142.07770	1.9
145.10104	1.2
147.08052	4.1
147.11693	5.9
149.09605	4.4
149.13245	1.5
151.14853	1.4
155.68742	0.9
157.10120	7.6
163.99660	0.9
165.12808	1.7
175.11177	10.5
188.98300	1.0
191.47986	0.9
193.12259	41.1
195.13821	1.2
205.12392	0.9
221.22606	1.5
225.61464	1.0
231.13887	1.7
237.22182	1.4
239.23740	8.8
249.14897	6.7
255.75758	1.0
259.18845	1.0
408.34344	1.1
445.20190	1.5
505.22314	8.7
505.38922	100.0
506.39200	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03944	5.4
55.01870	2.2
55.05513	15.1
57.03426	1.7
57.07079	39.7
65.03943	1.2
67.05508	27.2
69.03413	1.7
69.07070	15.6
69.24431	3.0
69.24852	4.9
71.04996	2.8
71.08634	29.1
79.05078	1.4
79.05494	16.8
81.03422	81.9
81.07059	31.4
82.44505	0.8
83.04977	3.6
83.08623	32.3
85.06554	1.7
85.10183	15.7
85.11646	0.8
91.05483	17.9
93.07048	12.6
95.04975	22.8
95.08614	29.1
97.02882	2.2
97.06526	1.9
97.10180	12.6
98.21500	1.3
99.08109	1.6
105.07028	13.7
107.04964	4.8
107.08566	5.9
109.06516	1.5
109.10164	12.9
110.10005	0.8
110.46450	0.7
111.04451	2.8
111.08086	7.1
111.11729	1.8
114.66513	0.9
115.05455	1.3
117.07005	1.7
119.04996	1.2
119.08573	9.8
121.06519	3.0
121.10153	5.2
123.08086	1.0
123.11727	5.7
125.13243	1.2
129.06984	7.3
131.08577	6.3
133.06508	2.8
133.10158	4.3
135.11661	1.9
137.09669	1.5
137.13269	3.4
142.07787	2.3
142.74770	0.7
147.08054	1.6
147.11687	6.5
149.09653	4.0
149.13274	1.5
157.10127	7.5
159.11685	1.4
165.12701	0.9
175.11192	9.1
193.12253	32.5
195.13782	1.4
204.61189	0.8
213.12808	1.0
237.22169	1.9
239.23672	8.3
249.14888	6.4
422.65573	0.8
505.38934	100.0
506.39462	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3531
Annotation	11alpha-hydroxyasiatic acid
Peak:m/z	Relative Intensity
55.05510	13.0
67.05502	29.9
69.07048	10.9
69.43182	13.4
69.43592	32.6
75.86071	7.4
79.05513	8.0
79.66820	5.2
81.07067	35.5
83.08636	10.0
91.05497	13.4
93.07045	13.5
95.08612	27.1
97.10177	6.9
98.21519	14.0
104.82871	6.4
105.07027	28.1
107.08569	32.3
109.10147	32.5
111.08077	8.7
114.36172	5.9
119.08599	46.4
121.10123	29.9
123.11692	7.3
131.08582	18.9
133.10143	39.3
135.11687	8.5
143.08551	12.9
145.10115	22.7
147.11693	24.6
149.13258	8.2
157.10147	12.7
159.11711	16.3
161.13243	13.9
163.14851	10.2
171.11569	7.4
172.62349	5.9
175.14804	31.1
177.16380	8.9
185.13287	66.9
187.14893	29.0
199.14812	9.3
201.16496	10.6
203.14345	67.6
205.15871	21.3
223.16959	17.4
249.14818	37.8
259.20624	9.1
289.14963	6.5
405.31833	6.5
423.32541	15.8
428.33002	7.2
441.33725	100.0
487.34592	59.9
505.35040	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	505.3529
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
55.05507	9.7
65.39114	7.6
67.05511	33.2
69.07070	13.1
70.62691	16.2
71.26503	6.9
81.07054	25.5
83.08597	8.0
91.05467	22.1
93.07053	24.4
95.08605	31.2
105.07060	39.2
107.08590	30.9
109.06535	7.6
109.10168	46.3
119.08599	40.2
121.10162	24.7
123.07979	6.4
123.82516	6.0
131.08542	16.9
133.10103	35.7
135.11693	10.8
143.08577	16.6
145.10127	22.5
147.11705	16.6
149.13275	7.5
157.10135	20.2
159.11751	16.0
161.13289	15.9
163.14812	9.4
173.13347	8.7
175.14819	29.8
177.16408	7.7
185.13287	57.6
187.14847	27.3
189.16441	12.7
201.16397	13.8
203.14325	70.8
205.15851	22.3
211.14891	8.6
223.16982	21.8
249.14926	40.5
259.20593	11.7
387.15109	6.4
423.32248	18.3
427.46677	7.0
441.28073	9.1
441.33737	100.0
451.32602	8.3
487.34604	60.5
505.28903	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	505.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
55.05511	17.4
57.07069	13.5
67.05503	37.3
69.07059	23.0
71.04961	5.9
79.05481	28.2
81.07063	57.4
83.04969	9.4
83.08604	18.2
85.06544	7.0
91.05480	37.1
93.07063	59.4
95.04952	13.0
95.08627	78.2
97.06495	14.5
99.08112	38.2
103.34244	5.9
105.07041	82.4
107.08596	73.4
109.06503	10.1
109.10170	57.6
111.08092	8.9
117.07021	15.0
119.08599	100.0
121.06495	12.7
121.10159	51.6
123.08041	17.8
123.11683	17.4
125.09639	8.7
131.08562	68.5
133.10139	67.8
135.08092	11.5
135.11737	38.4
137.09627	10.7
137.13196	9.5
143.08594	16.4
145.06476	7.1
145.10118	48.7
147.04431	13.4
147.07999	11.0
147.11696	100.0
148.37181	5.6
149.09567	11.1
149.13283	18.2
151.07497	14.2
151.11127	7.3
157.10120	23.3
159.11722	44.9
161.09648	12.6
161.13280	28.8
163.11156	7.8
163.14859	14.1
165.09137	8.0
169.08508	5.6
169.10214	7.7
171.11676	16.3
173.13266	31.5
175.11159	8.4
175.14850	24.9
177.12825	7.4
177.16412	13.7
179.10564	10.1
183.11714	14.6
185.13364	11.4
187.14833	94.0
189.12735	15.1
189.16377	22.9
193.15955	8.7
199.14758	11.2
201.12729	18.1
201.16403	64.6
203.14383	7.1
203.17905	13.1
205.15839	6.5
211.13278	13.2
213.16479	10.6
215.14250	8.8
215.17931	6.2
217.12265	21.6
219.13838	6.3
219.17400	17.9
227.18022	9.3
229.15924	6.9
235.13278	9.3
239.16444	67.9
253.17940	9.1
265.18069	9.0
295.24411	5.2
311.79443	5.6
323.03931	6.6
395.33118	15.4
413.34201	7.5
423.28317	12.7
433.27597	10.5
441.33835	56.6
451.27878	31.5
459.34717	16.7
469.29465	95.2
487.30087	35.9
505.31467	98.8
506.31683	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	505.3528
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
52.18021	6.9
53.06031	7.7
55.05500	15.8
57.35270	7.5
65.82496	7.9
67.05495	28.5
69.07058	21.1
79.05488	27.7
81.07064	34.9
83.08600	13.4
91.05489	29.4
93.07066	46.0
94.31669	7.7
95.08607	40.3
98.21539	16.1
99.08076	30.8
105.07025	65.6
107.08598	66.9
109.06554	10.9
109.10146	35.9
111.08097	12.2
119.07815	10.5
119.08590	100.0
121.06541	8.0
121.10161	40.1
123.08125	11.2
131.08569	31.0
133.10153	58.8
135.08028	15.1
135.11707	35.0
142.07794	10.1
143.08537	18.2
145.10138	51.2
147.11734	46.8
149.09666	9.6
149.13232	18.7
151.07664	9.6
151.11232	14.9
152.14804	8.0
156.09401	9.8
157.10132	35.4
158.10870	8.5
159.11685	38.6
161.09686	16.7
161.13332	22.3
163.14828	18.8
171.11722	23.4
173.13322	38.8
175.11192	12.1
175.14819	29.6
177.16397	19.2
183.11740	17.0
184.12320	9.8
185.13214	33.6
187.14830	68.0
189.12646	8.9
189.16336	14.3
191.14323	22.6
197.13210	11.8
199.14769	60.3
201.16391	28.1
203.14322	26.8
205.15921	48.7
213.16396	32.8
217.15858	18.5
221.15453	12.6
223.16916	11.6
229.15837	17.6
231.17578	11.9
286.03140	8.9
365.37006	8.4
387.30301	8.8
405.26614	9.7
405.31653	39.5
423.32654	48.3
441.33560	32.0
451.32553	43.2
459.35205	41.1
469.33691	43.0
505.35074	8.0
511.80460	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	505.3529
Annotation	Myrianthic acid
Peak:m/z	Relative Intensity
55.05523	11.4
60.55988	1.2
67.05499	4.3
69.07066	5.0
70.03234	4.8
79.05487	4.1
81.07066	8.7
83.08604	5.0
91.05486	5.0
93.07047	11.1
95.08617	10.6
98.20898	1.6
99.08112	1.5
105.07045	15.7
107.08613	11.9
109.06524	2.0
109.10190	9.4
111.08131	1.9
117.07030	2.9
117.26696	1.3
119.08605	18.4
121.06518	2.0
121.10155	12.7
121.31752	1.3
123.08076	2.1
123.11749	1.5
131.07700	1.3
131.08565	7.5
133.06485	2.5
133.10115	14.1
135.08090	3.1
135.11700	5.5
137.13264	2.2
139.07515	1.9
143.08566	4.3
145.10133	14.4
147.07986	1.8
147.11717	9.2
149.13268	2.8
151.11156	2.7
157.10124	4.9
159.11676	7.2
161.09636	1.9
161.13269	4.4
163.07515	1.8
163.11186	2.4
163.14819	4.8
169.10129	1.5
171.11732	4.6
173.13263	4.5
175.14859	15.7
177.12715	1.6
177.16386	5.6
183.11722	3.5
183.87010	1.8
185.13293	11.6
187.14853	15.7
189.16331	3.2
193.15926	2.3
197.13228	2.1
199.14865	4.5
201.16403	5.0
203.14326	16.3
205.15891	14.3
211.14755	1.8
217.15875	1.6
219.17535	1.9
221.15422	4.5
221.65585	1.4
223.16991	15.5
227.17989	1.4
233.15340	1.4
249.14813	8.4
253.19627	1.5
298.80130	1.5
373.27396	4.7
387.25247	9.2
387.30011	2.9
405.26416	100.0
405.31323	5.7
406.26804	3.6
423.32724	6.5
441.27972	2.5
441.33734	45.3
443.35068	5.0
451.32108	2.1
459.34622	9.6
469.32968	3.7
487.34897	7.7
505.35178	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3533
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.03920	9.4
53.39741	9.2
53.57407	8.1
55.05494	35.0
67.05505	40.8
69.07068	28.1
69.31490	10.1
69.90751	38.2
79.05489	22.3
81.07059	54.0
83.04999	15.9
83.08607	24.2
85.64402	8.0
91.05483	32.8
93.07059	66.9
95.04962	15.5
95.08627	57.9
97.06528	17.8
99.08107	11.1
105.07056	81.3
107.08616	76.4
109.06516	17.8
109.10181	46.8
117.07010	12.2
119.08583	100.0
121.06527	10.8
121.10142	57.2
123.08050	20.4
123.11697	13.4
131.08551	32.6
133.10135	79.0
135.08070	20.5
135.11694	26.7
137.09636	18.4
143.08563	22.8
145.10098	46.6
147.11685	49.6
149.09644	15.9
149.13196	22.5
151.07472	9.6
157.10123	28.4
159.11711	52.2
160.11977	9.5
161.09589	13.3
161.13251	31.7
163.11298	12.7
163.14815	20.5
171.11673	22.3
173.13220	14.6
175.14845	40.6
177.12788	15.8
177.16393	17.2
183.11610	15.7
185.13226	38.8
187.11195	11.4
187.14812	56.0
188.15141	10.3
189.16423	16.0
191.14325	24.1
197.13139	12.1
199.14809	28.8
201.12814	12.0
201.16304	29.2
203.14351	58.2
205.15919	53.6
213.16272	10.4
217.15938	14.7
221.15424	13.3
223.16931	22.9
226.28235	9.1
247.16789	9.0
256.82990	8.4
300.05258	9.7
405.26291	22.6
405.31320	13.3
416.28851	10.7
417.99033	8.7
423.32281	27.3
441.33841	76.4
442.33728	10.6
459.34842	94.2
469.33432	15.7
487.33798	28.7
505.31094	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	12.6
56.91026	9.8
59.35927	9.3
61.43907	9.8
67.05509	13.2
69.07062	17.8
70.89018	23.0
71.24009	8.4
79.05487	23.3
81.07043	35.1
91.05467	29.1
93.07049	48.1
95.08583	29.2
99.08098	19.7
105.07053	47.2
107.08616	50.4
109.10154	24.5
119.08590	100.0
121.10120	51.6
123.08079	13.7
123.11693	18.6
131.08557	50.9
133.10118	67.9
135.07985	15.1
135.11694	24.0
143.08537	13.2
145.10109	47.4
147.11719	51.1
149.09644	10.6
149.13208	18.0
156.09317	12.7
157.10136	31.3
159.11681	50.8
161.09592	14.9
161.13307	26.2
163.14854	13.7
171.11652	24.7
173.13261	41.2
175.11139	13.0
175.14819	35.7
177.16409	19.8
184.12454	10.3
185.13242	17.7
187.14838	63.5
189.16417	26.3
191.14302	15.2
197.13211	12.9
198.02046	9.5
199.14824	70.0
201.16348	49.3
203.14401	26.4
205.15814	37.6
213.16412	28.0
215.17944	11.2
217.15852	27.6
221.15318	13.5
223.17046	11.0
229.15907	12.0
231.17450	16.0
328.03430	9.9
369.28064	10.8
387.29959	13.3
405.31424	33.4
423.32831	52.8
441.33548	42.1
451.32040	51.9
459.34540	35.0
469.32962	30.0
487.33661	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55027	1.9
55.05503	9.1
67.05499	7.2
69.07055	6.8
69.47218	14.5
75.70746	2.0
79.05493	6.1
79.82255	2.1
81.07060	11.8
83.04969	2.6
83.08607	7.7
91.05476	8.2
93.07034	15.0
95.08602	11.8
99.08087	3.6
105.07050	15.6
107.08607	16.8
109.06523	4.4
109.10168	10.3
111.08086	2.9
117.07021	3.5
119.08597	20.3
121.06503	4.7
121.10146	13.2
123.08063	2.4
123.11720	4.7
129.06996	2.3
131.08563	9.3
133.06490	2.9
133.10127	19.2
135.08046	3.9
135.11650	5.7
137.09604	3.3
143.08545	6.4
145.10147	16.3
147.08044	3.2
147.11652	8.0
149.09616	3.3
149.13231	4.3
157.10152	3.4
159.11758	10.6
161.09724	3.4
161.13268	6.0
163.11237	3.5
163.14816	7.1
171.11688	6.8
173.13261	5.2
175.11108	3.5
175.14828	15.6
177.16351	4.8
183.11685	2.8
185.13275	13.7
187.14807	17.9
189.16536	2.9
197.13266	4.3
199.14835	6.4
201.12671	2.2
201.16278	4.3
203.14323	16.6
205.15852	18.1
215.17947	2.4
217.15837	2.6
221.15260	3.9
223.16908	14.9
224.17201	2.7
249.14902	9.1
373.27240	4.6
387.25208	9.3
405.26434	100.0
405.31427	7.8
406.26697	3.8
423.32257	6.2
441.33762	42.6
443.35303	4.7
451.31979	2.5
459.34674	10.6
462.24460	3.2
469.33551	2.8
487.33813	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	505.3525
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
52.11857	7.6
52.42200	7.5
55.05512	12.1
67.05480	20.8
69.07071	21.7
69.43961	63.2
77.03162	7.1
79.05495	21.8
81.07045	39.2
83.04971	11.5
83.08597	10.8
91.05486	25.2
93.07037	40.3
95.05003	7.9
95.08609	51.2
97.06573	8.8
99.08075	13.2
105.07040	100.0
107.08575	58.9
109.06520	13.7
109.10173	38.9
117.07037	18.3
119.08577	77.5
121.10158	49.6
123.08075	11.3
123.11700	13.8
131.08563	40.9
133.10136	55.8
135.11676	19.8
143.08542	21.0
145.10155	64.4
147.11670	43.3
149.09625	14.4
149.13252	13.3
155.08507	8.9
157.10150	17.7
157.83934	8.0
159.11708	49.7
161.09593	11.7
161.13252	30.2
163.11252	10.6
163.14865	39.1
171.11719	17.9
173.13295	53.3
175.11224	13.0
175.14822	33.6
177.16365	18.3
183.11732	12.7
185.13199	20.5
187.14844	60.0
189.16431	22.8
191.14302	58.8
197.13287	8.3
199.14780	16.0
201.16403	56.3
203.14355	32.4
203.17949	28.2
205.15848	38.8
213.16377	19.3
215.18027	14.8
217.15895	14.6
218.79240	8.1
219.17390	10.9
221.15390	26.9
223.16939	33.9
233.15521	10.3
235.16859	8.9
247.16957	21.4
249.18591	9.4
327.89291	9.4
405.26611	8.1
405.31454	27.7
423.32767	44.2
424.33194	8.1
425.33609	10.9
441.33749	69.5
459.34363	27.9
469.33231	14.0
505.35410	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	505.3527
Annotation	Yardenone A
Peak:m/z	Relative Intensity
52.75622	8.6
54.19932	9.0
55.05510	17.5
56.35570	10.3
61.91021	8.2
67.05506	18.4
69.07075	25.2
70.51260	33.2
74.37942	9.2
79.05502	28.7
81.07047	55.8
83.08623	13.7
85.93716	9.0
85.94334	8.8
91.05481	44.3
93.07050	87.3
95.04958	12.4
95.08597	77.0
105.07052	70.4
107.08597	94.5
109.10155	49.0
117.07018	21.0
119.08592	100.0
121.06467	14.2
121.10155	51.8
130.07922	11.5
131.08574	43.0
133.10141	94.3
135.11674	48.8
139.11160	9.7
142.07814	12.8
143.08549	28.0
145.10121	68.1
147.08067	17.9
147.11679	50.1
149.09625	11.3
149.13274	35.0
153.09134	10.6
155.08595	12.4
156.09297	11.6
157.10135	29.5
159.11661	50.0
161.09622	30.5
161.13292	26.4
163.11136	20.0
163.14851	45.4
167.10751	11.0
169.10144	20.7
171.11702	45.1
173.13271	42.2
175.11250	27.1
175.14783	20.7
183.11696	26.6
185.13268	44.2
187.11156	12.5
187.14853	27.7
189.12717	23.2
189.16447	41.7
191.14430	12.5
193.12364	11.4
197.13344	15.9
199.14781	28.8
201.16498	12.3
203.14314	26.8
203.18056	22.9
209.15240	14.1
211.13283	23.2
215.14417	19.8
235.16945	13.2
243.17542	18.2
275.19733	11.2
297.00262	11.5
299.20117	14.4
393.31577	14.4
405.31546	26.3
411.21075	11.0
421.31021	39.3
423.32709	53.0
433.31229	16.3
439.32117	46.9
441.33856	18.3
451.32056	36.4
469.33118	35.7
472.10422	9.9
487.33948	10.2
505.35339	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.4
57.07080	5.9
58.14751	4.8
65.15486	5.5
67.05482	17.3
69.07069	18.3
69.35179	42.5
69.35535	4.5
71.08629	5.0
79.05499	27.4
81.07068	45.0
83.08605	21.3
91.04990	5.2
91.05479	32.7
93.07061	54.5
95.04958	6.0
95.08620	61.4
97.06520	13.3
105.07042	67.7
107.08604	76.9
109.06539	13.0
109.10152	34.2
117.07015	10.4
119.08595	100.0
121.06513	14.8
121.10156	52.2
123.08047	12.8
123.11720	9.0
125.09602	6.5
129.06895	6.8
131.08588	42.0
133.10135	70.0
135.08064	13.0
135.11674	22.8
137.05949	7.1
137.09596	9.9
140.37117	5.1
142.07788	6.6
143.08601	26.6
145.10150	61.9
147.08043	20.9
147.11732	53.3
147.12846	8.0
149.09633	13.3
149.13235	21.7
153.09117	8.6
157.10173	32.6
159.11703	52.2
161.09647	21.3
161.13272	22.1
163.11223	25.3
163.14886	28.6
167.10637	10.2
169.10127	8.9
171.11716	37.0
173.13286	44.8
175.11235	25.1
175.14832	19.7
177.12680	10.9
183.11714	20.6
185.13292	36.8
187.14815	39.8
189.12758	17.8
189.16382	35.9
191.14296	12.1
193.12239	10.5
195.11745	5.9
197.13252	11.6
199.14781	31.9
201.12738	9.0
201.16371	25.0
203.14346	14.8
203.17981	17.1
209.13397	7.4
209.15356	15.1
211.13274	23.7
211.15047	8.5
213.16360	16.2
215.14296	10.4
215.17996	9.6
217.15948	5.8
221.15334	20.8
223.13219	11.0
225.16472	6.7
229.15915	14.8
231.17490	7.1
243.21024	5.5
247.16948	8.2
249.18547	6.8
253.19748	7.2
255.20905	7.3
265.30576	5.5
267.87570	5.7
269.22668	6.2
299.20258	8.5
315.23361	9.0
342.12814	5.6
393.31403	16.7
405.31702	29.8
411.32748	6.8
421.30991	21.9
423.27438	6.8
423.32590	46.3
433.30957	11.7
439.32101	41.4
441.33603	13.9
451.32343	40.0
459.34753	11.5
469.33417	32.2
487.34283	13.4
505.35077	15.2
533.20306	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	505.3527
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
51.04218	7.4
51.86756	6.0
55.05506	22.7
57.07084	8.8
67.05502	26.4
69.07057	29.4
69.41523	47.3
69.41926	11.3
79.05496	20.0
81.07059	34.6
83.08636	20.6
91.05503	34.9
93.07061	63.3
95.04961	9.0
95.08638	44.4
105.07026	68.7
107.08601	80.8
109.06504	10.2
109.10185	41.7
119.08575	100.0
121.10157	39.7
123.08148	9.6
123.11684	8.6
125.32314	7.9
131.08566	30.4
133.10130	56.4
135.08099	12.1
135.11711	25.0
139.73120	6.8
141.09233	7.9
142.07835	9.8
143.08582	27.3
145.10150	49.2
147.08046	15.4
147.11691	41.9
149.09619	13.6
149.13286	16.9
153.09100	10.2
155.08611	9.5
157.10147	28.1
159.11691	46.9
161.09633	27.9
161.13286	27.7
163.03947	16.7
163.11237	22.9
163.14844	24.5
167.10666	9.9
169.10170	8.9
171.11710	27.5
173.13304	26.3
175.11212	24.1
175.14832	20.0
179.10599	8.8
182.10977	8.8
183.11667	12.8
185.13336	22.7
187.14847	19.8
189.12796	9.8
189.16389	37.5
197.13229	12.0
199.14857	21.0
201.16458	11.1
203.14368	20.8
203.17975	13.8
209.15462	9.5
211.13310	14.1
213.16373	9.1
215.14359	9.7
217.15846	8.6
223.13274	10.5
223.16830	8.0
249.18567	11.0
269.22714	8.1
299.20212	13.2
387.30121	7.8
393.31546	21.7
405.31680	18.2
423.32492	29.7
433.31232	11.1
439.32169	23.1
451.32108	21.2
469.33081	22.8
487.34146	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	505.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94454	0.5
51.02392	0.6
53.03948	1.2
53.61935	0.5
55.01868	1.9
56.10835	0.5
65.03970	1.2
65.91175	0.5
67.05489	0.7
69.03439	4.5
70.74474	1.3
71.05007	1.1
72.12461	0.6
74.42719	0.5
79.05490	2.7
81.03415	7.1
85.02902	4.0
91.05486	6.0
93.07055	0.7
94.04219	2.7
95.04974	1.9
97.02882	1.8
99.04463	1.4
103.03983	0.6
103.05468	3.8
105.07050	7.5
107.04942	0.9
109.02892	3.9
109.06551	1.0
115.05451	1.3
117.07014	1.1
119.04951	6.4
121.06512	1.2
122.03651	4.9
123.04405	1.6
127.03930	3.9
128.06258	1.1
131.03413	1.4
131.04907	4.1
133.06506	8.2
135.04459	0.8
136.05196	0.8
137.05988	100.0
143.04861	0.7
145.04929	0.6
145.06496	2.0
147.04408	4.6
147.08057	1.3
151.03934	3.0
151.07549	32.1
157.06551	0.8
161.05978	4.2
162.06718	0.7
163.03918	1.4
163.07559	5.5
164.04704	1.4
165.05458	0.8
165.09109	3.6
165.89082	0.5
167.07120	0.9
169.06598	0.6
170.70029	0.6
175.07571	3.5
177.05470	1.8
177.09143	2.3
178.97147	0.6
179.07045	37.2
187.07521	0.6
189.09074	1.7
191.07019	1.6
193.06686	0.6
193.08635	1.8
195.08130	0.7
195.10127	0.8
197.06070	1.0
199.07402	0.8
201.05487	0.9
201.09111	1.4
203.07037	2.1
205.08705	1.0
213.09148	0.9
215.07085	0.6
217.08664	1.1
219.10141	0.7
221.08047	0.7
225.08946	0.6
228.08972	0.8
231.10376	0.7
241.08583	0.7
261.11206	0.8
265.08557	0.9
271.54166	0.6
273.11176	1.0
283.10724	1.6
285.11359	0.8
291.12399	1.2
293.11716	0.9
297.11172	1.8
299.12930	0.9
302.12488	0.8
307.09613	0.6
309.11316	1.6
323.12964	0.6
325.14355	0.8
327.12311	1.9
330.12134	5.3
335.13116	0.7
341.13956	1.2
343.11584	1.2
343.15353	2.1
394.71545	0.5
439.54428	0.6
441.92642	0.6
505.13898	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	505.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01876	1.6
69.03446	4.5
71.38272	1.2
71.38602	1.2
79.05496	1.7
81.03426	5.2
81.07085	1.0
85.02898	4.8
86.34361	0.8
91.05491	6.9
94.04205	1.5
95.04960	1.7
97.02912	1.8
99.04466	1.7
102.01407	0.8
103.05475	3.3
105.07040	5.5
107.04960	1.5
109.02882	3.3
115.05425	0.9
117.07018	1.3
119.04936	5.4
122.03674	6.3
125.17932	0.8
127.03898	4.2
129.07048	1.1
131.03432	1.3
131.04929	4.9
133.06516	6.5
135.04398	1.2
137.05986	100.0
138.06360	1.1
139.39729	0.9
145.06456	1.4
147.04424	5.4
149.05952	1.9
151.03915	2.0
151.07550	31.0
161.05962	4.4
162.06726	1.3
163.07529	3.9
164.04683	1.3
165.05470	1.2
165.06894	1.0
165.09108	4.2
167.07002	1.0
170.92047	0.9
171.08005	1.3
175.07585	2.7
177.05478	2.3
177.09099	2.2
179.07043	36.1
187.07567	1.1
189.05424	1.1
189.09091	2.4
191.03427	1.3
191.07039	2.2
193.08644	1.8
197.05962	1.2
201.09076	1.4
203.07022	1.9
203.10681	1.1
207.06645	1.4
207.10208	1.3
209.08035	0.9
212.52783	0.8
291.12329	1.0
297.07077	1.1
297.10980	0.9
307.09839	1.2
309.11197	0.8
313.10864	1.2
327.12299	0.9
343.11731	1.1
343.15399	2.6
505.18195	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14420	2.1
55.05512	4.8
56.75890	2.3
67.05501	7.9
69.07071	3.5
74.29520	2.0
79.05485	6.3
80.95042	2.1
81.07057	7.4
83.94251	2.2
91.05475	5.3
93.07038	4.5
95.08615	15.0
95.59863	2.1
98.20727	5.2
99.08073	6.3
105.07031	7.4
107.08595	9.6
109.10142	8.4
111.08063	4.9
119.08581	13.0
121.10137	9.3
122.10391	2.2
131.08607	4.4
133.10141	13.8
135.08052	2.3
135.11705	5.1
143.08557	2.7
145.10124	9.8
147.08061	3.5
147.11664	6.5
157.10133	4.5
159.11697	9.2
161.09625	2.3
161.13254	5.7
163.11205	3.3
163.14822	3.1
171.11676	4.5
173.13286	7.4
175.14819	6.8
180.61142	2.3
185.13208	3.3
187.14813	7.7
189.16313	3.4
197.13272	2.2
199.14771	3.8
201.16377	2.4
203.14316	7.1
205.15930	6.9
217.15892	13.9
227.17926	2.3
235.16890	4.8
244.33087	2.2
405.31689	14.5
408.29495	2.7
423.32736	13.6
441.33704	100.0
442.33978	2.9
459.34756	67.0
475.33636	2.5
529.57471	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05146	8.6
55.05508	8.1
67.05492	20.4
69.21545	43.7
69.21972	38.2
70.07762	7.4
81.03415	9.5
81.07034	15.6
86.09700	18.9
89.10440	7.9
91.05451	9.5
93.07034	15.3
93.07593	7.9
95.08625	20.2
98.21468	16.7
105.07024	25.0
107.08600	23.8
109.10165	24.4
119.08566	18.4
121.10150	11.2
123.06682	7.9
130.09094	7.5
131.08600	11.4
133.10123	17.0
135.11685	8.3
143.08638	9.4
147.11668	11.6
173.13216	9.1
175.14844	10.0
187.14906	11.5
201.16451	8.8
203.14407	8.8
223.16895	8.5
309.26743	7.6
364.77866	8.6
403.46228	9.3
441.33685	34.3
459.34399	24.6
504.33588	41.0
504.40350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	19.3
57.07043	8.3
60.78787	6.4
64.01765	6.6
67.05511	40.6
67.73744	6.0
68.05837	6.3
69.07058	25.1
71.50153	11.5
79.05478	23.3
81.07060	53.7
83.08617	12.3
85.06535	6.6
91.05477	31.4
93.07053	65.6
95.04948	8.0
95.08609	63.9
97.10163	7.5
99.08080	19.7
105.07027	100.0
106.07367	7.5
107.08588	87.4
109.10159	47.2
117.07005	18.1
119.08582	75.8
121.10142	64.5
123.11694	14.6
129.07024	9.2
131.08629	36.5
133.06487	6.4
133.10118	52.2
135.11665	23.9
137.09581	8.8
143.08565	16.7
145.10118	43.4
147.11668	47.8
149.13284	16.5
157.10156	32.4
159.11731	36.2
161.13283	28.4
163.14857	13.8
169.10065	16.0
170.10869	8.1
171.11676	24.0
173.13248	29.2
175.14821	56.7
177.12706	20.1
179.14291	13.7
183.11667	13.8
184.12239	9.7
185.13252	23.4
187.14778	29.4
191.14165	7.5
195.11850	11.2
195.13782	14.5
197.13246	13.6
199.14786	22.7
201.12695	10.1
201.16362	36.2
203.14389	13.2
203.17902	16.5
205.15887	15.6
206.01468	7.9
211.14897	16.5
213.16354	22.7
215.14294	18.5
217.15897	6.9
219.17471	13.6
229.15880	33.3
231.17552	9.5
249.10071	7.4
253.19495	12.5
275.20102	9.6
283.20483	10.4
405.31573	48.6
423.32571	77.7
441.33810	36.9
451.31934	24.8
459.34628	49.3
504.33960	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	504.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01862	1.7
55.05515	5.7
57.03420	2.6
57.06839	0.7
57.07076	8.6
61.02923	5.5
69.03431	10.8
69.70616	3.9
71.04987	0.9
73.02895	2.0
79.05497	1.1
81.03419	5.1
81.73246	0.7
82.82441	0.7
83.08643	1.3
83.09225	0.6
85.02908	56.0
87.04459	1.8
88.04030	0.7
89.05501	1.4
89.06029	24.2
90.70809	0.7
91.03934	2.5
91.05472	1.7
97.02897	14.2
99.04458	2.4
99.27357	0.7
101.09661	11.4
103.05474	0.7
105.07034	1.0
107.07067	24.5
109.02888	6.4
109.06554	0.8
115.03858	0.8
115.05382	0.9
116.05843	0.7
122.03619	1.4
124.07652	0.7
127.03929	12.4
131.04982	1.2
133.06454	0.8
137.05977	25.3
138.06320	7.8
139.03914	1.0
140.13667	0.8
145.04956	18.7
145.12210	0.9
147.04396	1.7
147.08057	1.1
149.05959	0.9
151.07532	2.0
160.08385	0.9
161.05942	2.9
162.06375	1.1
163.03952	1.6
163.06017	6.1
163.07458	1.8
163.13293	100.0
175.07576	3.5
176.07869	2.7
176.38760	1.2
177.05557	0.8
179.07043	2.0
187.07494	2.7
188.07912	1.8
189.09081	0.8
190.03108	0.7
192.08940	0.8
196.13240	1.3
200.07936	0.8
203.08415	0.9
217.08641	0.8
219.07889	1.4
220.08467	1.3
231.90770	0.7
232.08459	1.7
237.08777	0.9
248.07974	1.4
249.08569	0.9
251.10571	1.1
252.11024	1.6
256.95184	0.8
280.10492	1.1
291.10117	1.0
292.10556	2.6
297.10968	0.8
311.12695	1.7
312.13181	3.8
321.01120	0.7
323.12772	1.0
324.13025	3.6
326.14584	1.2
342.14218	1.4
401.08887	0.7
504.19641	1.0
505.18311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36959	2.7
55.05505	10.5
56.83477	3.2
57.07086	7.6
63.91533	2.8
67.05126	2.7
67.05503	9.0
69.07072	8.7
71.11530	4.9
79.05483	8.2
80.79170	3.3
81.07061	16.5
83.08624	6.4
86.15652	2.8
91.05481	17.5
93.07048	29.3
95.08613	17.5
96.77717	3.2
97.07102	2.9
99.08104	17.9
105.07028	29.6
107.08598	65.2
109.10155	10.1
117.07031	7.0
119.08578	37.1
120.08876	3.4
121.10151	47.5
123.11717	16.7
129.07034	5.6
131.08554	11.8
133.06454	4.1
133.10126	28.9
135.11696	67.1
142.07762	5.3
143.08571	13.7
145.10118	19.6
147.11676	37.4
149.09601	3.6
149.13258	100.0
153.06987	3.2
156.09370	5.6
157.10126	17.7
159.11678	18.0
161.13268	9.0
163.14786	3.3
169.10139	34.5
171.11664	19.1
173.13281	18.2
175.14868	14.6
181.10123	3.5
183.11703	7.8
185.13228	18.2
187.14856	20.2
189.16446	8.8
195.11790	4.3
197.13249	4.6
199.14836	13.2
201.16397	4.4
205.15852	8.8
209.13261	5.8
211.14850	9.2
213.16418	13.2
215.18015	3.9
219.23064	3.2
223.14635	4.0
227.17995	7.9
233.23024	3.6
239.17979	24.0
257.19034	7.3
261.16321	3.8
333.25610	5.5
387.30435	4.6
405.31558	30.2
407.33041	9.7
423.32751	21.0
433.31320	4.3
441.33606	10.0
451.32162	79.0
458.33441	5.9
486.32986	9.7
504.33856	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	503.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.1
55.01865	1.9
55.05515	45.4
55.86137	0.9
57.03439	1.5
57.07075	17.4
67.05505	12.4
69.03422	1.6
69.07071	43.2
71.04975	1.7
71.08636	9.9
79.05497	14.0
81.03422	91.0
81.07053	12.0
83.04986	3.7
83.08623	56.7
85.10177	3.9
87.54900	0.9
91.05491	17.7
93.07059	7.3
95.04379	2.0
95.04971	26.2
95.08623	4.7
97.02911	2.8
97.06540	1.4
97.10178	30.5
105.07036	13.5
107.04972	6.8
107.08610	4.9
107.40614	0.8
108.28640	0.9
109.06545	2.2
109.10178	1.3
111.04417	1.6
111.08083	8.4
111.11726	11.8
115.05473	2.0
117.07005	2.2
119.04951	1.3
119.08584	12.4
121.06528	3.0
121.10164	4.2
125.09665	1.1
125.13280	3.0
129.07019	9.9
131.08559	7.9
133.06487	3.0
133.10150	2.6
137.09648	2.2
139.14948	1.0
142.07816	3.8
145.10110	1.0
147.08063	3.0
147.11697	4.9
149.09619	4.8
157.10135	9.7
165.12857	1.3
175.11198	9.8
193.12251	43.4
211.13435	1.0
213.12820	1.5
231.13832	1.5
237.22211	2.4
249.14868	8.9
293.22116	0.9
503.37347	100.0
504.37454	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	12.2
67.05505	14.7
69.07092	8.7
69.88887	15.0
69.89287	24.8
79.05498	24.2
81.07059	28.1
82.55500	7.8
90.52625	9.6
91.05486	35.2
93.07034	49.3
93.25922	7.1
95.04976	13.2
95.08627	44.3
99.08083	22.9
105.07026	81.2
107.08590	82.4
109.06505	12.6
109.10174	13.0
117.07056	10.5
119.08602	100.0
121.06554	7.3
121.10174	27.9
131.08562	53.5
133.10159	97.6
135.08087	17.6
135.11699	28.1
137.05978	28.9
137.09662	8.7
143.08578	31.0
145.10143	72.8
147.08076	19.3
147.11697	61.5
149.09569	10.3
151.07597	9.4
157.10147	34.8
159.11703	43.7
161.09665	20.5
161.13231	23.9
163.03922	23.8
163.11215	16.1
169.10132	20.6
171.11708	24.4
172.05942	7.7
173.13335	38.8
175.11194	15.1
175.14876	20.4
179.14406	12.6
183.11702	27.7
185.13283	38.7
187.11165	8.7
187.14825	58.9
189.12784	18.6
189.16484	8.0
191.14366	12.3
193.12248	10.5
197.13268	23.8
199.14871	29.1
201.16402	26.0
203.14363	30.7
205.15942	17.0
211.13159	10.9
211.14963	18.3
213.16446	26.7
215.14232	15.2
217.15834	12.3
219.17566	8.1
221.15536	8.6
223.13309	12.5
271.20654	11.4
299.20108	28.2
337.25067	10.0
351.07040	9.7
367.26434	17.0
391.29941	26.3
403.29846	20.7
408.88815	7.4
409.31137	31.3
421.25940	15.7
421.31024	33.3
437.30768	8.7
439.32275	42.1
449.30212	15.1
457.33386	47.1
467.32053	15.3
485.32602	15.0
503.33835	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	503.3368
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05503	6.5
66.71044	1.8
67.05503	6.2
69.03439	3.2
69.07068	3.2
70.67544	4.9
70.67891	2.1
79.05497	6.1
80.46892	2.1
81.07062	16.0
83.04971	2.8
85.06550	3.0
91.05488	7.7
93.07024	13.6
95.04961	2.9
95.08609	18.9
99.08102	7.4
105.07035	23.5
107.08587	23.2
109.06579	2.7
109.10151	22.4
109.20473	2.1
117.07055	4.1
119.08580	36.7
121.10146	14.6
123.08078	3.9
123.11700	4.9
129.06969	3.5
130.07828	2.0
131.08575	17.5
133.06520	3.8
133.10129	30.7
135.08038	3.6
135.11714	9.0
141.07082	1.8
142.07799	2.6
143.08597	9.5
145.10114	27.5
147.08075	3.4
147.11700	13.3
149.09668	3.6
149.13271	4.5
151.11197	5.1
155.08563	2.7
157.10162	8.0
159.08148	2.3
159.11714	12.0
161.09634	17.3
161.13312	7.0
163.07603	2.8
163.11147	3.5
163.14847	4.7
169.10219	3.0
171.11717	9.2
173.13301	25.0
175.11241	4.4
175.14806	19.0
177.16357	4.2
183.11760	5.9
183.46931	2.1
183.95511	2.3
185.13258	23.3
187.11209	3.9
187.14821	36.1
189.12668	3.4
189.16431	9.0
191.14291	14.5
195.11673	2.8
196.12585	2.7
197.13258	5.5
199.14857	11.9
201.12862	3.6
201.16400	7.3
203.14336	27.0
204.56569	2.2
205.15915	13.0
211.14775	3.2
213.16435	5.0
215.14333	12.8
217.15878	2.8
221.15431	4.8
223.16914	5.0
233.15388	23.4
249.14801	11.6
251.16475	8.3
287.95908	2.4
299.20023	2.3
349.25424	3.0
403.30054	5.2
409.30988	3.3
421.25970	4.3
421.30920	15.4
439.32132	24.2
449.30682	4.6
455.31635	10.5
457.33157	75.0
467.31747	18.5
485.32718	32.8
503.33716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73353	1.3
53.03941	1.8
55.05510	3.9
56.46041	1.0
67.05495	3.5
67.14153	1.2
69.03435	3.2
69.07054	3.5
71.48919	1.6
79.05507	5.7
81.03392	1.4
81.07065	11.0
83.08630	2.4
84.09743	1.1
85.02912	2.7
91.05471	7.5
93.07056	7.8
95.04992	2.0
95.08617	13.8
97.02882	1.6
97.06535	2.1
99.08113	1.3
105.07037	18.6
107.04973	1.4
107.08603	14.1
109.02876	1.2
109.06538	5.2
109.10174	7.8
117.07027	3.3
119.08586	29.2
121.06544	2.7
121.10137	12.1
123.08061	2.5
123.11708	1.4
127.92857	1.2
128.06253	2.4
129.07025	3.1
131.08565	10.1
132.19550	1.2
133.10123	13.7
135.08057	3.0
135.11720	4.1
137.05971	5.2
137.09598	6.2
142.07785	1.5
143.08554	14.9
145.02902	1.3
145.06549	1.2
145.10147	14.9
146.20712	1.2
147.04460	3.2
147.08084	2.5
147.11736	5.5
149.02394	1.3
149.09663	3.2
149.13318	2.4
155.08585	2.6
156.09383	1.3
157.10126	15.0
158.10867	1.6
159.08104	1.3
159.11691	17.8
161.09663	4.4
161.13223	7.3
163.03944	3.0
163.11266	1.5
163.14854	2.4
169.10135	2.9
170.10951	4.0
171.11691	6.0
173.13272	16.9
175.11227	1.5
175.14835	16.3
177.12759	2.0
177.16365	1.7
179.03473	1.7
181.10123	1.8
182.11002	1.5
183.11684	5.9
184.12453	1.5
185.13268	59.9
187.14827	9.8
189.12843	3.0
191.14323	8.6
197.13321	3.2
199.14812	13.5
201.12871	2.0
201.16438	4.9
203.14325	100.0
204.14793	1.8
205.15999	1.6
211.14902	3.0
213.16414	4.5
215.18030	2.1
217.15790	3.0
221.15350	8.3
225.16446	1.4
229.15929	2.7
239.16388	16.3
239.18417	1.5
245.15556	1.8
247.17014	1.4
249.14864	58.1
250.15253	1.1
253.19691	1.8
267.21121	2.1
358.98471	9.9
372.96451	1.7
376.99573	2.1
403.30115	4.4
421.31146	3.5
431.29953	1.3
439.32162	5.3
457.33124	60.8
458.33841	1.6
467.31757	2.0
485.32480	2.3
503.03711	1.2
503.18549	3.9
503.33731	74.3
504.33624	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3367
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05500	6.2
63.90840	2.3
67.05515	11.1
69.03419	2.9
69.07084	6.3
69.40051	20.8
70.65234	2.4
71.05000	3.0
79.05492	10.0
81.07053	19.3
83.05005	4.8
83.08625	4.6
84.35022	2.2
91.05466	15.7
93.07025	21.9
95.08608	29.3
99.08098	14.7
105.07038	55.7
107.08607	36.5
109.06498	4.0
109.10165	33.9
117.07036	6.2
119.08580	43.8
121.06474	3.0
121.10149	25.2
123.08123	4.5
123.11700	8.6
125.09706	2.5
128.06256	3.0
129.07036	3.7
131.08574	38.9
133.06535	14.0
133.10136	50.5
135.08089	6.4
135.11691	18.3
137.09613	5.2
143.08514	12.6
145.10114	37.2
147.08087	7.2
147.11693	23.4
149.09659	4.9
149.13319	4.6
151.11223	8.2
156.09358	4.6
157.10156	8.6
159.08041	3.3
159.11665	20.9
161.09622	26.9
161.13268	11.8
163.07576	7.4
163.11250	4.5
163.14894	6.7
169.10127	4.5
171.11761	9.0
172.12659	2.8
173.09647	6.2
173.13286	40.4
175.11198	7.1
175.14830	16.1
177.12820	4.1
177.16406	3.9
181.10222	3.0
183.11743	8.0
185.13304	11.7
187.11258	5.6
187.14804	44.3
188.03711	2.8
189.12770	4.4
189.16423	12.8
191.14346	9.2
197.13310	10.9
199.14842	6.1
201.12843	7.9
201.16383	3.6
203.14363	11.1
205.15825	16.2
211.14819	6.9
213.16388	2.6
215.14308	17.4
217.16014	3.2
219.13818	14.6
221.13344	4.8
223.14957	4.7
223.17035	8.4
225.16417	3.9
229.16000	5.2
233.15392	28.5
239.18089	4.0
251.16516	5.4
255.17528	4.6
281.19034	3.6
349.25348	7.7
367.26529	5.4
385.27682	3.6
389.80185	3.0
391.30222	2.8
403.30087	8.4
409.31058	6.3
421.31003	21.6
439.32159	39.6
449.30569	4.3
455.31577	7.2
457.33139	66.5
467.31686	30.7
485.32709	47.1
503.33774	100.0
504.34247	6.0
509.44641	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3371
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05528	16.6
67.05508	24.4
69.07038	14.8
69.18728	84.3
79.05488	27.6
79.68622	8.1
81.07053	37.5
91.05479	26.8
93.07050	43.7
95.08600	33.4
98.20721	15.0
99.08107	23.0
105.07045	64.7
107.08609	84.6
109.06553	15.0
109.10153	70.3
117.07030	18.7
119.08592	100.0
121.10153	47.7
123.08042	17.2
123.11713	15.4
131.08566	39.2
132.08055	8.0
133.10135	85.9
135.08081	12.2
135.11710	22.3
143.08553	21.4
145.10150	82.4
147.08002	11.0
147.11652	36.3
149.13251	13.3
151.11150	9.5
157.10124	22.0
159.11726	58.3
161.09621	18.5
161.13226	21.9
163.11264	10.2
163.14758	12.8
169.10077	15.0
171.11664	24.0
173.13293	48.7
175.14844	24.7
177.12712	12.8
177.16354	14.9
183.11723	11.5
185.13275	27.2
187.14810	56.5
189.16469	13.8
191.14360	16.5
195.11768	11.0
197.13223	12.7
201.12709	10.8
201.16493	9.1
205.15842	53.3
211.14684	10.8
213.16417	18.9
214.86632	9.0
215.14240	17.5
215.17952	10.5
219.13815	15.7
219.17654	10.1
223.16985	30.5
231.17451	14.4
233.15352	20.1
235.14890	9.9
241.19501	10.7
249.18416	10.4
251.16544	12.1
253.45593	8.0
267.16281	7.9
349.25443	10.9
385.27408	23.2
403.29819	18.1
416.13028	9.0
421.30835	40.6
439.32349	53.2
449.30936	12.4
454.82816	8.1
457.33252	74.2
467.31482	14.4
485.32571	29.4
498.49625	10.0
503.33621	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3367
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
53.03943	1.9
53.30662	1.1
55.05505	4.2
57.07071	1.7
62.89089	1.0
67.05513	6.4
69.07076	6.3
69.97916	0.9
70.07459	4.2
70.28374	1.1
79.05490	7.6
81.07056	14.5
83.08591	2.5
85.06547	1.8
91.05478	11.9
93.07050	11.1
95.04978	2.9
95.08612	14.7
97.06505	1.5
98.20824	1.6
99.08094	12.6
103.05493	1.6
105.07039	50.4
107.08604	22.1
109.06506	3.0
109.10165	15.9
111.08089	1.9
115.05428	1.3
117.07039	6.3
119.08590	32.1
121.06477	3.9
121.10154	23.2
123.08070	3.6
123.11696	4.2
123.96754	1.1
125.06019	6.3
129.06961	1.9
130.07809	1.3
131.04942	13.5
131.08572	26.0
133.06509	3.1
133.10153	20.3
135.08075	3.7
135.11682	6.1
137.09642	1.3
139.85533	1.2
143.08565	8.5
145.06526	1.4
145.10132	33.6
147.08058	16.8
147.11713	14.0
149.05991	38.1
149.09627	4.4
149.13275	8.0
151.11186	4.0
155.08559	1.4
157.10126	5.6
158.10873	1.7
159.11691	8.5
161.09674	2.9
161.13254	9.8
163.11203	4.8
163.14813	18.9
169.10199	2.0
171.11708	2.7
172.12610	2.4
173.13278	29.1
175.11224	3.5
175.14861	10.3
177.12820	2.9
177.16408	13.4
179.11118	1.1
183.11690	2.8
185.13245	5.1
187.14845	56.2
189.16457	1.3
191.14317	2.3
193.15779	1.3
197.13235	2.0
199.14813	2.7
201.12769	12.7
201.16402	1.5
203.14301	9.2
203.17888	2.1
205.15892	65.7
207.64006	1.2
211.14790	1.8
213.16443	1.7
219.13817	69.2
221.15411	2.4
223.16943	98.5
235.16997	1.6
237.14900	3.8
253.19720	1.3
331.24417	1.2
349.25229	3.7
403.29803	3.0
421.31244	8.6
423.32358	1.3
439.32050	14.7
441.33545	7.5
457.33176	100.0
459.34702	2.2
485.32486	4.7
491.74924	1.1
503.33685	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	503.3369
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05512	5.9
58.31059	4.2
59.05002	4.5
67.05505	12.3
69.07063	7.4
69.48396	18.6
69.48816	14.4
74.69524	4.3
75.73083	4.5
79.05502	10.7
81.07057	25.9
83.04929	4.9
83.08606	7.4
85.06536	6.4
91.05479	18.6
93.07066	24.3
95.04972	5.5
95.08631	31.4
99.08084	16.2
105.07043	40.8
107.08601	42.4
109.10168	35.3
113.21529	4.4
117.07040	13.8
119.08590	66.5
121.10167	35.6
123.08063	6.8
131.08553	30.5
133.06450	4.8
133.10147	53.3
133.23691	5.0
135.08058	6.4
135.11691	21.3
143.08536	8.0
145.10123	74.0
147.11758	29.0
148.75146	4.4
157.10150	8.7
159.11713	18.9
161.09644	30.7
161.13287	9.3
163.07542	10.9
163.11191	4.7
171.11662	9.8
173.09547	6.1
173.13301	33.8
175.14816	24.2
177.16379	15.8
183.11740	6.9
185.13211	11.0
187.11111	5.9
187.14833	100.0
189.12691	6.0
189.16368	13.0
191.14372	11.3
203.14395	8.2
205.15910	59.1
211.14902	7.5
215.14317	16.1
219.13721	5.5
223.16887	16.0
229.16016	8.5
233.15367	75.8
239.76476	4.2
251.16420	71.1
332.48807	4.8
384.53421	5.3
403.29730	8.9
409.31180	8.0
421.30920	24.2
439.32141	38.9
455.31384	13.1
457.33115	42.8
467.31915	26.8
485.32718	28.6
503.33777	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3371
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05503	10.5
56.90531	5.2
58.85677	4.9
67.05501	13.9
69.07055	14.4
69.60960	32.6
79.05485	15.7
81.07048	10.6
83.08615	6.9
85.06530	5.0
85.64637	5.0
91.05480	15.8
91.52602	4.5
93.07056	39.1
93.73411	4.2
95.08608	35.9
97.06518	8.1
98.20862	10.1
99.08110	25.7
105.07062	24.1
107.08608	54.1
109.10171	29.8
109.48376	4.7
119.08598	64.7
121.06519	9.3
121.10170	42.5
123.08058	15.8
123.11691	8.9
124.41486	4.4
130.07677	4.7
131.08560	19.7
132.25349	4.5
133.10162	44.0
135.11731	26.6
137.09584	9.7
143.08601	12.1
145.10124	34.4
147.08049	11.2
147.11696	18.1
149.09651	8.7
149.13246	14.9
156.09390	5.7
157.10120	16.2
159.11700	45.7
161.09619	8.9
161.13240	18.3
163.11130	15.0
163.14810	8.9
169.10184	7.9
171.11710	24.5
173.13310	28.0
175.11240	9.3
175.14809	23.9
175.23920	5.4
177.12743	13.7
177.16382	5.5
183.11673	11.4
185.13293	17.8
187.14864	19.5
189.12711	6.4
189.16386	16.4
191.14293	16.5
195.13763	6.4
197.13261	8.1
199.14844	17.6
201.12704	6.5
201.16396	10.2
203.14343	8.1
205.15881	13.9
209.13365	5.7
213.16356	14.3
215.14247	8.4
217.15897	17.2
217.19545	7.1
219.34776	5.1
223.14839	5.2
225.16289	5.1
227.18053	5.3
231.17453	8.4
233.15405	6.5
235.16895	14.2
243.17627	6.2
283.20395	6.3
349.25156	9.2
356.46417	5.3
367.26233	8.3
387.18124	6.1
403.30243	23.4
421.31067	69.9
439.32056	91.7
449.30753	6.0
457.33163	100.0
465.57663	6.3
467.31628	9.9
485.32797	23.6
503.34018	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	503.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.05506	17.3
57.03437	3.8
57.07061	6.4
65.03949	3.8
67.05504	37.8
69.07085	19.0
69.07394	3.7
71.50009	3.8
73.04770	6.9
79.05498	24.3
81.03416	17.2
81.07069	40.0
83.08620	17.5
85.06533	6.7
91.05452	26.5
93.07040	35.4
95.04963	12.3
95.08624	27.8
97.06528	6.3
97.10192	7.1
99.08105	14.7
100.51459	3.5
105.07036	42.4
106.92419	4.0
107.08604	46.6
109.06483	5.8
109.10149	16.3
111.08064	4.6
117.07017	7.7
119.08578	43.1
121.06528	3.7
121.10163	23.9
123.08090	3.8
123.11713	20.8
125.09573	5.0
129.07011	4.7
131.08604	24.5
133.10135	33.8
135.11696	100.0
137.09532	5.5
137.13223	5.6
143.08572	11.3
143.70363	4.0
145.10147	24.3
145.73618	4.1
147.08098	6.2
147.11659	20.9
149.09630	8.6
149.13249	17.5
155.08557	6.1
157.10173	8.6
159.11713	15.3
161.13271	8.8
167.05600	6.0
169.10208	4.1
171.11703	12.7
173.13263	20.9
175.14806	18.9
177.16412	6.4
183.11684	5.2
185.13222	8.8
187.14851	15.5
189.16335	10.4
193.12248	4.9
195.11685	6.6
197.13243	7.4
199.14839	8.9
203.14377	4.2
205.15810	5.0
211.14903	7.4
219.13806	9.3
227.17883	5.1
299.06229	12.7
353.24710	5.1
403.29666	8.3
407.29022	5.5
421.30994	15.0
439.32126	5.4
449.30408	10.5
457.32974	5.9
467.31744	21.1
485.32532	19.7
503.29834	13.1
503.38126	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
57.03427	1.5
61.02936	1.4
69.03434	5.3
69.47218	6.1
73.49850	0.9
76.75963	0.9
79.05493	1.8
81.03401	2.1
81.07066	1.4
83.04978	1.0
85.02911	11.7
89.03911	1.7
91.05472	4.7
94.04180	4.4
97.02898	5.5
99.04481	1.2
101.17619	0.9
103.05465	2.6
105.07025	4.4
107.04969	1.3
109.02872	1.4
109.06488	2.8
115.05447	2.3
117.06956	1.2
119.04939	1.8
119.08540	2.1
122.03653	7.7
127.03922	1.8
128.06229	1.9
129.07030	2.2
131.04907	2.9
133.06462	3.6
135.04465	1.1
137.05986	100.0
141.07028	1.9
144.05765	1.4
145.04961	2.6
146.03642	1.0
147.04417	2.5
147.08031	3.2
149.05963	2.3
151.07538	2.7
159.08020	2.2
160.05136	2.0
161.05963	11.9
163.03906	3.7
163.07541	4.9
163.13327	4.8
167.06990	1.6
172.05235	1.4
174.06732	1.3
175.07555	25.9
187.07559	13.5
189.09053	2.6
190.07805	1.0
191.08516	4.3
192.09233	1.0
199.07544	7.7
201.09111	4.0
202.07793	2.8
203.08598	6.2
205.06410	1.2
210.15408	1.0
217.08575	3.7
218.07236	2.4
219.08066	7.2
220.08798	2.2
222.11983	1.0
231.07971	5.4
232.08752	1.3
232.61502	1.4
235.07607	1.2
236.08305	2.5
236.16614	1.3
237.16718	1.4
247.07555	4.5
248.08354	3.9
251.10716	10.1
259.07501	3.4
261.09109	1.5
263.10678	4.4
264.07809	1.2
277.08569	2.2
279.10153	9.5
283.13721	1.4
291.10202	9.6
292.10867	2.1
296.10333	2.5
308.10110	1.4
311.12772	18.6
323.12759	17.6
325.14426	3.4
341.13821	5.0
495.80734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
54.61071	0.6
55.01887	0.7
57.03427	2.3
61.02918	2.4
67.05495	0.7
69.03446	6.6
71.04987	0.8
71.49207	0.8
73.02905	1.1
74.46819	0.7
79.05497	1.5
81.03403	2.7
81.07055	2.6
85.02910	15.4
87.04480	1.2
91.05459	4.1
93.07033	1.7
94.04172	3.6
95.04949	1.0
97.02893	5.7
99.04469	1.2
103.05451	3.0
105.07030	4.3
107.04961	1.6
107.08594	0.8
109.02898	2.1
109.06517	2.6
109.10142	0.8
115.05479	2.8
117.07058	1.0
119.08603	3.3
122.03644	7.9
127.03928	3.0
128.06245	2.3
129.07021	2.5
131.04961	4.0
131.08536	0.9
132.05731	2.0
133.06490	2.8
133.10147	1.2
135.07983	0.8
137.05986	100.0
141.07005	1.6
143.04951	1.0
143.08534	1.1
145.04939	2.0
145.06514	1.6
145.10178	0.8
146.03625	0.8
147.04442	1.1
147.08086	3.5
147.11591	1.1
149.06010	1.8
151.07608	0.8
154.39137	0.7
159.08067	1.8
160.05244	0.7
161.05975	10.3
161.13309	0.7
163.03920	1.2
163.07582	6.2
167.06949	0.8
171.08031	1.2
173.13300	1.0
175.07559	33.1
177.05527	0.9
184.05223	1.5
185.13258	2.8
187.07599	5.4
189.06906	0.8
189.09169	1.0
190.07793	1.6
191.08533	4.9
195.88718	0.7
199.07558	14.4
199.14851	1.3
201.09167	1.2
201.16373	0.8
202.07787	4.8
203.08566	8.3
203.14340	2.0
205.06589	1.0
218.07310	1.3
219.08040	7.3
220.08853	2.6
230.07320	1.0
231.08063	10.6
232.08922	1.9
235.07715	1.0
247.07623	2.8
248.08299	4.8
249.09079	0.9
249.15038	0.9
251.10715	7.5
259.07599	6.0
260.08325	2.3
261.09293	1.4
263.10727	5.2
265.08600	1.6
273.56186	0.7
275.07040	0.8
276.07855	2.7
277.08597	4.2
279.10220	5.0
281.08304	0.8
291.10162	11.9
292.10956	4.5
293.08069	1.7
295.13498	1.8
303.10056	0.7
308.10449	2.2
311.12784	16.0
323.12784	22.4
325.14410	1.9
341.13968	0.9
358.98273	0.9
439.32153	0.8
457.33176	2.8
465.18729	0.8
503.34033	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15464	1.9
55.05515	10.0
57.03441	14.7
57.07080	30.8
59.04997	4.0
62.62918	1.7
67.05511	84.8
69.03410	1.8
69.07061	8.1
69.67864	4.0
69.68260	10.3
71.05032	2.9
71.08643	22.4
72.62616	1.9
73.04750	4.1
78.56911	1.7
79.05500	2.5
81.03397	2.5
81.07062	23.0
83.08630	10.4
85.06508	3.0
85.10189	12.4
89.06032	1.8
91.05414	3.4
91.05885	2.0
93.07034	4.4
95.08602	20.4
97.10167	5.7
98.95775	2.2
107.08583	2.0
109.10169	75.9
111.08101	2.6
119.08569	5.5
123.11692	3.4
137.09636	4.0
137.13240	2.6
138.80400	1.6
147.35071	1.6
155.10695	7.7
167.05566	5.5
173.11771	22.9
229.14366	100.0
239.09558	2.2
239.23743	4.2
299.06213	8.3
313.27405	90.6
314.27887	1.9
344.97714	2.4
415.03824	2.1
467.30685	3.0
467.37338	52.2
467.88034	2.0
513.98560	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.5
57.29580	2.4
67.05520	14.0
69.07071	6.4
69.54408	17.0
70.01058	2.9
71.07365	9.4
73.04876	3.1
79.05486	11.2
81.07066	19.6
83.04991	2.7
83.08595	3.7
86.04738	2.6
86.09712	37.7
91.05488	12.5
93.07056	17.6
95.04977	2.6
95.08587	20.4
97.10087	2.8
98.98489	4.3
99.08097	19.5
105.07030	22.7
107.08578	15.1
109.10191	12.5
111.08045	3.7
117.07029	6.2
119.08601	27.5
121.10175	23.7
123.11674	5.7
124.99991	8.3
131.08556	15.5
133.10124	24.2
135.11673	11.1
135.12621	2.8
141.28067	2.6
143.08539	7.0
145.10141	14.0
147.08049	3.5
147.11687	12.3
149.09612	10.4
149.13281	5.3
151.11208	3.2
157.10095	10.7
159.11694	12.0
161.09631	5.2
161.13326	6.7
163.01558	8.7
163.14822	2.9
169.10034	3.7
171.11685	7.5
173.09608	3.9
173.13313	15.6
174.13855	3.1
175.07574	3.9
175.14822	14.3
177.16422	5.3
183.11720	6.3
184.07420	2.9
185.13217	6.8
187.14868	14.0
189.09132	14.3
189.16400	7.1
191.14198	5.2
197.13248	6.4
199.14828	6.8
201.12711	4.3
201.16470	5.3
203.14430	3.6
205.15884	4.3
211.14844	3.0
213.16394	7.4
215.14311	3.7
223.14944	3.9
223.17003	4.2
229.15912	3.3
231.17479	3.7
243.13841	3.2
348.52966	2.7
349.25067	4.4
399.25443	4.6
403.29855	16.2
405.31732	5.4
413.26965	8.8
421.30923	23.3
438.30554	3.8
439.32001	11.8
443.25748	4.0
449.30511	12.0
457.33160	7.6
467.31558	16.3
485.32684	100.0
502.32669	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	501.1605
Annotation	kn-93
Peak:m/z	Relative Intensity
51.02381	0.4
61.62950	0.2
65.03930	0.9
69.03433	1.5
70.08858	1.3
83.02629	0.3
83.04973	0.4
84.77484	0.3
85.02896	0.8
91.05483	7.7
96.19801	0.3
97.02946	0.3
98.07902	0.2
109.02825	0.4
110.05199	0.3
110.34189	0.3
119.04948	20.7
127.03905	1.0
144.98416	0.3
147.04416	100.0
148.04759	0.3
158.29897	0.3
163.03986	0.5
165.05511	0.5
206.87225	0.3
239.01973	0.3
240.31857	0.3
247.46802	0.3
291.08685	0.7
309.09760	1.3
321.02652	0.3
323.43939	0.3
339.03418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05615	1.0
52.87403	1.1
54.74630	1.0
55.05519	2.5
59.05001	1.1
67.05504	2.5
69.03427	4.4
69.07062	3.0
69.94250	1.0
70.06584	1.1
70.42294	2.3
70.42660	2.2
71.04998	11.7
71.76805	1.0
73.06564	1.5
79.01859	3.2
79.05504	4.4
81.03423	5.3
81.07066	18.1
81.75827	1.0
83.08652	1.2
85.02922	5.4
91.05470	3.3
93.07055	11.4
95.08629	5.1
97.02910	3.6
97.06520	1.4
97.10199	2.3
105.07031	3.5
107.04993	1.8
107.08608	7.2
109.02886	5.5
119.04987	1.9
119.08612	2.3
121.10169	1.9
125.02344	2.7
127.03944	8.5
133.10147	2.4
135.11728	15.0
137.05981	3.6
137.50050	1.1
142.64024	1.5
143.03339	2.1
147.04459	3.5
153.01846	100.0
153.02835	3.7
153.12762	58.7
159.11685	1.9
163.03864	1.5
171.02908	13.7
173.13278	1.1
185.13318	1.2
297.06189	5.1
315.07138	31.0
484.18439	1.4
505.77927	1.3
508.73578	1.6
525.05688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03610	2.1
51.82983	2.2
53.03945	3.4
55.01872	5.7
56.96576	2.4
61.28637	2.3
63.94942	2.5
69.03441	33.4
69.39150	19.4
81.03418	39.4
81.77876	2.2
85.02904	7.5
85.55183	2.5
89.42500	2.3
91.05473	5.5
97.02914	13.7
98.21532	4.7
109.02885	14.3
117.93266	2.3
119.04919	6.8
127.03954	18.0
135.04385	3.6
145.02901	3.0
146.03299	2.2
147.04416	32.5
149.57898	2.5
151.51793	2.3
153.01904	4.4
163.03885	14.3
165.01823	5.8
175.03886	3.6
177.01909	3.6
187.03929	2.4
191.03398	26.9
193.01331	3.5
201.01903	2.5
203.03429	8.1
205.01369	3.9
219.02963	29.6
221.00851	31.4
221.10794	2.6
223.02412	3.1
231.02966	9.8
233.00916	12.5
239.01901	16.8
247.02417	25.8
251.57301	2.6
257.00903	4.3
259.02454	11.5
265.03342	3.2
267.11349	5.7
272.11700	3.9
275.01904	49.1
277.03448	13.3
285.12378	7.0
293.02969	9.8
303.01392	20.9
303.13434	11.6
321.02319	12.7
321.14426	9.9
339.03482	100.0
383.91144	3.1
444.60913	2.5
465.06778	14.0
483.07425	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67013	2.7
55.05517	24.1
57.03444	15.3
57.07071	13.7
67.05507	87.4
69.07066	27.3
69.15945	14.2
69.16379	19.6
71.04964	5.8
71.08627	9.0
74.87495	2.9
79.97382	3.0
81.07056	17.7
83.08607	26.4
85.90687	2.9
90.88284	3.1
91.05463	6.5
93.07040	4.3
95.08604	10.7
97.10185	15.5
97.67406	3.4
107.08558	3.6
109.10153	83.6
111.08124	3.6
111.11710	6.1
116.77075	3.1
119.08576	8.6
121.10149	3.3
137.09636	4.4
155.10675	7.5
165.71048	3.2
173.11772	24.0
229.14368	100.0
283.26358	5.2
311.25803	81.6
465.35745	61.4
500.46634	10.2
511.00986	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	500.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.05508	0.8
57.03438	0.7
61.02920	1.6
67.05507	2.6
68.05841	0.6
69.03434	0.9
69.07084	0.7
69.24151	2.4
69.24578	1.3
71.08620	0.6
73.02903	0.5
77.63750	0.5
77.76052	0.4
79.05504	1.6
80.05827	0.5
81.07060	2.3
82.07400	0.5
83.08630	0.6
84.08994	0.4
85.02909	1.2
85.06613	0.4
86.03227	0.3
91.03957	0.7
91.05515	1.3
93.07061	2.7
94.07395	0.5
95.08623	2.7
96.08975	0.9
97.02901	1.1
99.08107	0.9
105.07036	2.3
107.08591	3.3
108.08889	0.4
109.10143	2.1
119.08589	1.8
121.10151	1.9
123.11750	0.9
131.08588	1.1
133.10144	1.6
135.08018	0.5
135.11716	1.2
135.62311	0.4
143.08563	1.0
145.10153	1.5
146.09619	0.7
147.11725	1.1
149.09718	0.4
149.13280	0.6
154.26250	0.4
157.10191	0.8
158.09671	0.6
159.10507	0.6
159.11757	1.3
160.98851	0.4
161.13275	1.0
162.09149	2.0
163.14906	0.4
167.08502	0.4
169.10158	0.9
171.11714	0.5
172.11223	2.6
174.12796	0.9
175.14941	0.5
183.11755	0.8
186.12798	1.4
199.14818	0.6
205.16026	0.4
244.16988	6.0
245.17760	0.4
248.16536	0.5
258.18600	1.4
262.18076	2.7
263.18311	0.5
276.19583	3.2
277.13928	0.4
307.93442	0.4
311.24655	0.4
327.51120	0.4
336.26056	0.6
337.26416	0.7
338.26822	0.8
358.27521	1.6
398.90488	0.4
404.88531	0.4
405.32071	0.5
423.32648	1.2
441.33731	0.8
464.35278	0.6
482.36334	4.7
500.37439	100.0
501.37772	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.7
55.01873	10.0
55.05512	36.6
57.03439	29.2
57.07073	10.1
58.06605	3.6
60.08170	13.8
61.02930	62.6
63.57331	3.7
63.82387	3.3
67.05507	85.9
69.03431	29.0
69.07063	36.4
70.46188	4.2
71.05023	4.9
71.50211	4.4
71.50671	6.7
73.02918	29.7
79.05488	33.0
81.03428	38.9
81.07060	100.0
83.04976	9.1
83.08617	26.2
85.02908	61.1
85.06542	4.1
86.09716	36.2
87.10040	12.9
89.48256	3.6
91.03962	38.1
91.05490	27.4
93.07047	37.5
94.65977	4.6
95.04939	8.7
95.08611	72.7
97.02905	48.2
97.06500	6.0
97.10186	14.5
98.02581	4.3
99.04436	10.0
101.02371	10.3
103.03914	11.8
103.69575	3.6
104.10753	67.1
105.07074	23.2
105.11073	29.6
106.11164	6.6
107.08607	29.7
109.02874	10.0
109.10165	33.1
111.08046	5.6
115.03945	7.2
117.07026	7.1
119.08613	23.0
119.09341	4.8
121.10162	23.3
123.08011	5.3
123.11724	18.9
124.99998	16.1
125.09608	5.3
127.00430	7.3
127.03957	22.7
129.06979	6.7
131.08554	19.3
133.10118	17.4
133.43581	4.3
135.11737	10.3
137.13280	10.5
142.07709	4.5
143.08589	4.8
145.04907	6.0
145.10092	8.3
147.11684	14.0
149.13290	13.0
151.14893	3.9
157.10101	5.0
159.06528	4.8
159.11691	11.3
161.13251	11.8
163.14807	6.9
171.11662	6.7
173.13298	5.3
175.14818	9.5
183.06554	8.2
184.07355	48.0
185.07674	21.8
186.07793	28.6
187.08067	4.5
193.12238	4.3
213.62218	3.9
245.22629	8.1
263.23752	19.6
303.23251	6.1
337.27353	77.9
379.20822	4.2
407.29230	6.2
478.89282	4.7
481.33102	13.3
499.34259	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3396
Annotation	Hyperibone J
Peak:m/z	Relative Intensity
59.32892	0.3
63.17231	0.2
67.05519	0.3
69.26038	2.2
81.07063	0.4
91.05513	0.4
95.08624	0.4
105.07028	0.4
107.08637	0.5
107.75588	0.3
108.21593	0.2
119.08624	0.8
119.90903	0.2
121.10162	0.5
131.08609	0.4
133.10135	0.4
136.24091	0.2
145.10161	0.5
159.11696	0.3
161.13290	0.3
167.41690	0.2
171.11693	0.3
173.13362	0.3
187.14706	0.4
315.38586	0.2
406.16666	0.3
416.23694	0.3
453.30655	0.4
499.34000	100.0
500.34247	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	499.1427
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
58.40826	0.6
69.03441	1.8
70.06612	0.8
70.15896	2.0
72.84534	0.5
75.65318	0.5
81.03435	1.1
81.72356	0.6
85.02914	0.8
97.02889	0.7
97.77496	0.5
99.04481	0.5
104.96690	0.5
111.04468	0.6
126.09183	2.8
163.03934	0.8
166.05034	2.0
192.06058	0.7
194.04568	1.4
203.05276	1.3
235.02443	0.8
248.64047	0.6
259.07950	1.1
270.75937	0.6
283.10919	0.7
301.12006	0.9
304.28497	0.6
312.29602	0.6
319.12949	1.3
337.01907	2.3
347.09537	11.8
347.13745	0.8
355.54407	0.6
499.14264	100.0
500.14944	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77318	0.9
66.21321	0.9
67.05593	1.0
69.03392	1.1
71.48681	1.6
82.99870	3.6
85.01401	1.2
85.02899	2.9
94.99894	2.0
97.02888	2.5
98.97583	3.2
101.00878	21.1
103.02438	3.0
113.00864	6.1
115.02417	1.5
119.01923	22.8
127.02424	18.2
131.01917	18.3
133.03468	1.3
137.00870	1.6
137.02931	1.3
139.02412	5.0
143.01903	27.4
145.03477	45.3
147.01363	2.9
149.02965	1.2
153.04016	1.6
155.01901	36.7
157.03476	22.2
157.04758	1.1
159.05083	1.1
161.02957	21.0
162.14896	1.2
163.04477	2.9
167.01894	17.6
169.03473	4.9
170.99977	1.5
171.01372	7.9
171.04962	5.1
173.02974	47.7
174.03180	1.0
174.99202	1.6
175.00856	1.4
175.04536	4.7
179.01895	6.8
181.03445	2.1
185.02957	46.5
187.03011	1.2
187.04451	5.4
189.02448	8.7
191.03998	2.5
197.02940	17.8
199.00883	4.7
199.04530	4.0
201.02437	1.9
203.04019	12.6
209.02946	3.1
211.00960	1.4
215.03995	8.4
217.01947	57.5
217.05496	2.9
219.01788	1.5
221.03018	1.5
221.05006	5.9
223.04735	1.1
225.02309	1.5
227.04015	10.3
229.01941	10.8
229.05548	2.4
235.02980	13.1
239.04170	1.1
241.01923	1.3
243.01805	1.1
245.05083	100.0
246.05446	1.8
247.03008	15.5
247.06812	2.4
257.05051	14.2
261.02737	1.8
263.06149	12.5
265.03754	1.5
273.04797	1.3
275.06143	15.3
277.04028	19.7
279.03769	1.2
293.07101	3.4
301.04053	11.0
305.07269	9.1
307.08740	3.2
319.05133	25.3
319.08594	1.7
321.05002	1.3
335.08170	4.2
337.06128	28.4
337.09872	1.5
365.09338	11.2
481.10880	1.1
499.11401	25.8
500.11313	1.4
510.58716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86165	1.3
56.96552	5.6
69.03419	2.9
69.19571	5.0
69.19991	9.5
71.30048	1.4
81.03423	1.8
82.99862	5.5
84.96017	2.4
85.01402	2.5
85.02902	6.0
89.20250	1.6
94.99872	2.0
97.02859	3.9
98.21461	3.2
98.97585	25.9
101.00889	22.4
103.02451	3.6
108.88873	1.3
110.97555	11.0
112.99184	1.3
113.00856	10.7
116.98619	4.1
119.01926	20.1
124.99184	1.3
127.02421	20.1
127.03880	2.1
128.98578	6.6
129.00378	2.2
129.03984	1.6
131.01910	15.5
133.03468	3.6
139.02373	5.3
140.98619	3.6
143.00143	4.3
143.01904	31.4
143.02928	2.6
145.03482	41.9
147.01384	2.6
152.98613	2.5
155.01906	41.7
156.98103	12.6
157.03490	18.9
158.99663	7.7
159.05046	1.9
161.01434	2.4
161.02956	19.9
163.03819	2.3
167.01909	21.3
169.03488	6.4
170.99641	8.4
171.01312	10.1
171.04991	2.9
173.01419	2.3
173.02962	40.5
174.99165	28.8
175.00696	2.8
175.04529	2.5
177.00728	2.5
179.01898	6.2
182.99648	8.7
183.01257	2.3
185.02965	42.5
187.04471	5.6
189.00766	4.3
189.02444	6.5
191.03995	2.7
193.00255	11.8
193.01813	2.8
197.02927	17.4
199.00868	5.8
199.04504	4.3
201.00755	16.6
201.02429	2.9
203.04041	11.7
209.02925	5.6
211.00969	1.7
215.03989	10.8
217.00154	9.9
217.01978	61.7
217.05351	3.2
219.01782	11.4
221.05016	4.8
227.03964	11.0
229.01985	9.8
229.05519	1.5
235.01109	4.4
235.03094	8.0
237.02769	5.9
243.01904	7.1
245.05083	100.0
246.05177	1.7
247.00810	2.8
247.03143	12.3
247.06781	2.7
257.05096	13.4
261.02853	19.6
261.05603	2.0
263.03732	1.9
263.06125	13.1
275.06104	13.4
277.04248	16.0
277.07465	2.4
279.03891	9.8
291.03857	4.1
293.07108	3.6
301.04242	10.3
305.07141	8.6
307.08691	3.2
319.05484	20.2
321.04910	8.6
335.08206	5.2
337.06470	22.0
337.10126	3.0
351.05795	2.0
365.09268	8.7
381.07098	3.0
481.08643	5.7
499.10379	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
57.16373	1.0
57.69224	1.2
69.03439	33.5
71.12933	2.1
79.05460	1.4
81.03428	36.3
83.01321	1.1
85.02910	2.0
95.01341	2.4
97.02927	8.9
99.04449	3.3
109.02895	11.8
117.03387	1.5
120.53552	1.2
127.03943	13.5
129.02597	1.3
133.02809	3.8
135.04440	2.5
137.02368	1.3
145.02850	2.0
147.04388	1.7
151.03899	2.0
153.01855	2.1
161.02344	4.4
163.03912	16.4
173.02383	2.6
179.03395	3.8
189.01834	10.6
191.03413	11.3
193.01385	2.5
195.02969	1.3
201.01842	3.6
203.03383	2.7
205.01183	1.1
207.02908	12.5
217.01341	20.2
219.02895	9.1
221.00806	3.9
229.01289	2.8
231.02864	2.8
235.02388	46.2
245.00868	16.8
247.02415	9.7
257.00845	1.8
259.40689	1.1
263.01901	14.7
273.00336	15.1
274.00662	1.3
275.01920	12.3
291.01355	13.6
300.99811	5.4
319.00882	14.2
325.03403	1.3
337.01932	100.0
338.02310	2.1
355.03351	1.6
445.04166	3.3
463.05182	18.6
481.06235	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	23.0
57.03428	6.8
57.07074	9.9
59.05018	4.6
59.32592	4.3
67.05511	43.0
69.03428	9.4
69.07079	40.0
69.20907	3.8
71.05000	13.1
71.49970	5.3
72.81865	4.3
79.05504	39.3
79.06716	3.8
79.67477	3.2
81.03389	6.3
81.07063	69.7
82.33620	4.1
83.04976	11.3
83.08624	23.7
85.06549	11.2
91.05492	40.0
93.07052	63.7
93.16349	4.3
95.04970	12.8
95.08622	75.5
97.02931	4.1
97.06528	16.4
97.10151	9.4
99.08117	19.4
105.07043	51.8
107.08602	84.6
109.06538	16.6
109.10175	75.2
111.08089	16.2
117.07008	10.5
119.07815	7.3
119.08604	100.0
121.06518	12.1
121.10162	75.8
123.08083	7.4
123.11728	28.6
125.09657	11.2
129.07010	12.4
131.08549	24.4
133.10135	47.0
135.08073	15.6
135.11697	48.7
137.09613	19.8
137.13266	8.6
142.07738	5.1
143.08572	12.1
144.09256	3.8
145.10139	74.2
147.11736	34.2
147.12860	5.5
149.09645	15.6
149.13289	21.0
151.11212	8.5
153.12767	6.1
155.08566	6.2
157.10118	25.1
159.11719	58.1
161.09625	7.8
161.13272	23.1
163.11188	9.6
163.14830	28.1
165.12862	5.2
167.08554	4.6
169.10156	12.7
171.11719	17.5
173.13310	25.4
175.14879	16.8
177.12759	7.3
177.16405	16.5
179.14281	4.0
181.10118	6.0
181.15929	7.8
183.11713	9.4
185.13260	18.2
187.11246	7.3
187.14844	64.6
189.16479	10.0
191.14343	4.5
193.12285	5.3
195.11710	7.6
197.13284	10.9
199.14754	13.1
199.16763	4.8
201.12779	6.5
201.16447	24.1
203.14410	4.6
203.17943	7.7
205.15892	66.5
207.17572	4.0
209.13327	6.3
209.51976	3.8
211.13274	5.3
213.16379	33.8
215.14355	6.9
215.17844	7.3
219.17409	13.8
223.14940	7.3
223.16945	37.8
224.17438	4.4
225.16350	9.4
233.15498	5.4
237.18584	23.7
237.20824	3.3
237.21407	3.3
241.19563	5.6
243.17477	18.2
261.39914	4.6
283.20502	4.2
291.60208	4.5
389.32263	6.6
407.33017	20.7
425.34091	29.2
433.27185	5.3
443.35376	33.0
451.28351	11.6
461.26865	4.6
461.36313	14.1
479.27859	9.6
479.37540	8.4
497.28735	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	23.0
57.03428	6.8
57.07074	9.9
59.05018	4.6
59.32592	4.3
67.05511	43.0
69.03428	9.4
69.07079	40.0
69.20907	3.8
71.05000	13.1
71.49970	5.3
72.81865	4.3
79.05504	39.3
79.06716	3.8
79.67477	3.2
81.03389	6.3
81.07063	69.7
82.33620	4.1
83.04976	11.3
83.08624	23.7
85.06549	11.2
91.05492	40.0
93.07052	63.7
93.16349	4.3
95.04970	12.8
95.08622	75.5
97.02931	4.1
97.06528	16.4
97.10151	9.4
99.08117	19.4
105.07043	51.8
107.08602	84.6
109.06538	16.6
109.10175	75.2
111.08089	16.2
117.07008	10.5
119.07815	7.3
119.08604	100.0
121.06518	12.1
121.10162	75.8
123.08083	7.4
123.11728	28.6
125.09657	11.2
129.07010	12.4
131.08549	24.4
133.10135	47.0
135.08073	15.6
135.11697	48.7
137.09613	19.8
137.13266	8.6
142.07738	5.1
143.08572	12.1
144.09256	3.8
145.10139	74.2
147.11736	34.2
147.12860	5.5
149.09645	15.6
149.13289	21.0
151.11212	8.5
153.12767	6.1
155.08566	6.2
157.10118	25.1
159.11719	58.1
161.09625	7.8
161.13272	23.1
163.11188	9.6
163.14830	28.1
165.12862	5.2
167.08554	4.6
169.10156	12.7
171.11719	17.5
173.13310	25.4
175.14879	16.8
177.12759	7.3
177.16405	16.5
179.14281	4.0
181.10118	6.0
181.15929	7.8
183.11713	9.4
185.13260	18.2
187.11246	7.3
187.14844	64.6
189.16479	10.0
191.14343	4.5
193.12285	5.3
195.11710	7.6
197.13284	10.9
199.14754	13.1
199.16763	4.8
201.12779	6.5
201.16447	24.1
203.14410	4.6
203.17943	7.7
205.15892	66.5
207.17572	4.0
209.13327	6.3
209.51976	3.8
211.13274	5.3
213.16379	33.8
215.14355	6.9
215.17844	7.3
219.17409	13.8
223.14940	7.3
223.16945	37.8
224.17438	4.4
225.16350	9.4
233.15498	5.4
237.18584	23.7
237.20824	3.3
237.21407	3.3
241.19563	5.6
243.17477	18.2
261.39914	4.6
283.20502	4.2
291.60208	4.5
389.32263	6.6
407.33017	20.7
425.34091	29.2
433.27185	5.3
443.35376	33.0
451.28351	11.6
461.26865	4.6
461.36313	14.1
479.27859	9.6
479.37540	8.4
497.28735	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3242
Annotation	Secaubryolide
Peak:m/z	Relative Intensity
51.30324	0.6
57.03416	0.6
60.13436	0.5
70.02973	1.9
70.03333	1.1
70.64331	0.6
79.05524	0.6
81.07055	1.2
93.07037	1.3
94.79108	0.5
95.08590	0.6
105.07032	1.1
107.04839	0.6
109.10201	0.6
110.17555	0.6
119.08573	0.9
121.10161	1.0
131.08548	0.8
142.61133	0.6
145.10130	0.8
146.06966	1.0
159.07831	0.7
193.12051	0.8
198.91023	0.6
229.12033	2.8
230.12778	8.1
231.13573	9.0
289.17749	6.9
297.94818	0.6
451.31927	4.9
479.31354	1.2
494.75775	0.7
497.32404	100.0
498.32751	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	497.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01501	1.4
50.25074	1.1
55.05505	2.6
57.07069	1.4
58.34980	1.2
58.99399	1.4
65.03925	1.3
67.05499	5.9
69.03411	1.3
69.07062	2.4
70.02291	2.2
70.02689	3.0
70.77324	1.3
79.05498	5.5
81.07065	6.6
82.95863	1.3
83.08623	1.5
91.05487	9.9
93.07046	8.4
95.08614	7.4
98.20783	1.7
99.08100	11.2
105.07045	12.7
107.08612	20.4
109.10191	6.0
117.06986	2.5
119.08589	21.7
121.10147	10.7
129.07019	3.3
131.08591	11.6
133.10146	15.1
135.08080	1.6
135.11713	5.8
137.09576	2.0
142.07794	2.5
143.08583	5.9
145.10138	15.1
147.08070	8.2
147.11682	8.5
149.09756	1.6
155.08563	3.6
156.09317	2.0
157.10139	10.6
158.10973	1.7
159.08093	1.6
159.11745	12.1
161.09589	3.1
161.13280	5.8
167.08507	1.5
167.10696	3.1
169.10135	3.9
170.10904	2.6
171.08054	1.5
171.11743	9.1
173.09560	1.8
173.13234	11.9
175.14871	3.3
179.10715	3.6
183.11725	6.9
184.12512	2.0
185.13278	9.7
187.14838	12.2
195.11737	3.2
197.13326	6.5
199.11313	1.5
199.14792	7.5
201.12776	1.8
201.16273	2.6
205.12355	1.5
207.11809	1.9
209.13210	3.1
209.53612	1.3
211.14854	4.7
213.12770	3.6
213.16408	4.8
215.14360	2.9
217.12257	1.3
221.13332	2.1
225.16483	2.3
227.14307	2.8
227.18030	1.8
229.15749	2.8
231.13947	1.7
233.15504	2.3
235.14807	1.8
235.17036	1.7
237.16470	1.6
239.18100	1.4
245.15555	2.5
247.17026	3.5
251.18056	2.1
253.19461	2.1
255.17430	2.1
257.19019	2.3
259.16986	2.1
267.17435	1.5
267.21146	1.6
267.69067	1.2
269.19183	2.4
275.18045	1.7
279.17407	1.5
285.22256	2.2
291.17096	1.3
311.19913	1.8
319.24411	4.0
335.23868	1.6
347.23755	5.7
363.23145	1.5
373.29047	1.8
377.24506	2.1
379.26297	4.7
391.30038	10.7
401.28360	4.6
419.29443	27.4
433.31024	3.5
437.30643	12.7
447.29196	5.8
451.32208	20.3
465.30179	13.7
479.30887	1.8
483.31213	3.4
497.32410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3241
Annotation	Stypodiol diacetate
Peak:m/z	Relative Intensity
52.09423	0.4
55.03239	0.5
55.05512	0.6
67.05496	1.0
69.07073	0.6
71.50313	0.7
75.80508	0.4
79.05477	0.7
80.49592	0.4
81.07063	1.7
83.08607	0.6
91.05495	1.2
93.07062	0.7
95.08614	1.4
96.77797	0.4
99.08130	0.4
105.07034	1.4
107.08592	1.2
109.10141	0.9
111.08115	0.4
119.08603	1.8
131.08577	0.9
133.10191	1.0
143.08592	0.4
145.10184	1.3
147.11705	0.8
159.11713	1.0
169.25848	0.5
173.13361	0.6
175.14899	0.5
185.13342	0.5
187.14854	0.7
201.19444	0.4
205.15936	0.5
250.37012	0.4
271.07852	0.4
451.28113	0.6
462.33392	0.4
479.32004	1.0
497.32498	100.0
498.33002	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3244
Annotation	Stypodiol diacetate
Peak:m/z	Relative Intensity
50.32506	0.3
50.37535	0.3
50.91317	0.3
53.03965	0.3
55.05515	0.6
57.03430	1.0
61.02928	1.0
67.05510	2.6
69.03432	0.8
69.07063	0.5
69.34992	2.8
71.04990	0.4
71.15450	0.3
79.05499	1.3
81.03429	1.3
81.07073	2.5
85.02924	1.1
91.03960	0.5
91.05493	1.0
93.07051	1.6
95.08604	2.0
97.02918	1.0
99.04469	0.5
103.03966	0.7
103.49569	0.3
105.07035	1.0
107.08618	1.1
109.02889	0.6
109.10190	1.2
111.08016	0.3
115.03976	0.5
117.07018	0.5
119.08633	0.9
121.10155	0.8
123.08019	0.4
123.11752	0.3
127.03998	0.5
133.10190	0.4
135.11769	0.6
145.10146	0.6
149.13269	0.4
161.13373	0.4
161.76572	0.3
172.43365	0.4
173.13217	0.4
216.97073	0.3
261.22113	0.5
335.25906	1.2
348.47476	0.3
497.32358	100.0
498.32541	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3239
Annotation	Secaubryolide
Peak:m/z	Relative Intensity
68.00076	0.6
69.03410	0.6
69.54755	2.8
69.55180	1.9
70.01870	0.6
72.30254	0.5
76.01635	0.7
77.80139	0.6
81.07063	0.6
88.00026	0.6
91.11145	0.5
93.07054	0.9
105.07065	0.8
107.08582	0.7
109.10183	0.7
114.62094	0.6
119.08592	1.3
121.10191	0.6
145.10132	1.0
175.73428	0.8
179.98683	0.6
187.14812	0.7
221.95302	0.7
289.93933	0.7
432.28601	0.9
479.31491	12.8
497.32474	100.0
498.33057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3243
Annotation	Stypodiol diacetate
Peak:m/z	Relative Intensity
67.05495	0.3
70.88531	0.7
81.07059	0.4
93.07059	0.3
95.08607	0.3
105.07045	0.4
107.08591	0.4
133.10155	0.3
136.32010	0.3
145.10184	0.2
159.11635	0.4
159.74187	0.2
171.11749	0.3
187.14824	0.3
291.96713	0.2
451.28467	0.5
479.31531	0.6
497.32422	100.0
498.32755	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	497.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	1.4
67.05515	1.9
69.03420	3.3
69.07076	49.0
69.96297	3.3
71.05030	1.0
73.02972	0.8
79.05494	1.3
81.03403	2.1
81.04559	0.9
81.07053	3.4
81.07478	0.8
85.02909	7.9
92.05030	0.9
94.06571	2.2
96.08118	1.5
97.02889	2.9
97.06535	8.6
98.20837	1.3
99.04465	0.9
105.07045	1.1
107.04919	0.8
119.03720	0.9
121.06516	1.0
122.06016	6.1
124.07614	2.0
125.05975	1.2
127.03970	1.4
131.79187	0.8
134.31546	0.8
137.05986	2.9
138.05518	3.3
140.07066	3.8
141.06622	0.8
144.08099	1.3
145.08839	1.9
146.09613	2.7
147.04424	1.2
148.03946	1.4
150.05519	55.4
157.08844	1.0
161.08362	2.9
162.09174	2.1
165.04245	1.0
166.05014	14.8
168.06590	1.3
172.11234	3.1
173.08409	1.6
174.09216	1.0
174.12750	5.3
176.03397	4.7
177.05397	1.2
178.05037	1.2
185.08348	1.4
190.08585	0.8
190.12245	5.4
194.04549	2.0
199.06371	1.0
200.07083	1.3
200.10719	5.9
202.12283	5.4
213.10315	1.4
216.10228	3.0
218.08295	1.7
218.11757	16.3
219.02753	1.0
227.11722	0.9
228.10231	9.1
234.11250	2.6
244.09656	2.6
246.11287	15.1
254.08026	1.1
255.11244	1.6
256.09824	0.9
257.09216	1.6
261.12622	1.2
271.10770	4.3
272.09167	2.4
273.12326	2.9
274.10764	2.4
281.09125	1.0
285.16852	0.9
287.10297	7.7
289.11826	7.6
290.10175	1.7
299.10281	5.3
317.11356	30.1
318.09650	1.5
335.12399	100.0
336.12601	2.2
497.17264	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
57.03426	0.8
61.02931	1.1
63.02353	0.5
65.03941	0.9
67.05505	2.3
69.03429	4.1
69.07076	45.8
70.51772	0.9
70.52133	1.0
71.05001	0.6
73.02914	0.4
74.84721	0.4
77.43832	0.5
77.99753	0.4
80.05013	0.6
80.35001	0.5
81.03414	1.1
81.07066	3.3
82.51434	0.5
82.75501	0.4
85.02914	6.4
92.05006	0.9
93.07016	0.6
94.06565	1.8
96.08087	0.7
97.02914	2.3
97.06529	8.7
99.98156	0.5
103.49174	0.4
108.04445	0.6
109.02891	0.5
122.06055	6.3
124.07603	1.6
125.05989	1.5
127.03888	1.4
128.06226	0.6
132.04355	0.6
137.05981	2.0
138.05501	3.5
140.07094	4.0
142.08609	0.6
144.08076	0.9
145.08907	1.5
145.10100	0.6
146.09618	3.1
148.03934	2.5
150.05513	55.8
157.08894	1.6
158.09631	0.7
159.10416	0.8
160.07632	1.0
160.11208	0.5
161.08377	3.2
162.09128	1.9
164.03445	0.6
166.05006	12.6
166.06340	1.0
168.06671	1.2
170.09697	0.7
172.07652	1.2
172.11212	2.8
173.08340	1.0
174.05464	0.5
174.09161	1.1
174.12810	4.9
176.03439	3.7
177.27287	0.5
178.04990	1.3
185.08398	1.2
186.07649	0.9
188.10680	1.0
190.12314	4.8
194.04504	1.5
200.07014	0.7
200.10728	6.2
202.12257	4.3
206.11862	0.6
213.05498	0.5
213.10272	0.9
216.10258	3.3
218.08412	0.8
218.11775	16.7
226.08690	1.3
227.11765	0.6
228.10226	10.4
229.13393	0.9
234.11272	2.4
241.09856	0.7
243.11359	1.1
244.09818	1.3
245.12894	1.0
246.08745	1.0
246.11284	15.3
254.08025	0.8
255.11336	1.3
256.09705	1.4
257.09317	1.7
261.08752	1.1
269.09296	0.6
271.10727	3.0
272.09085	2.5
273.12259	2.3
274.10794	2.3
280.11307	0.5
287.10272	6.1
289.11807	6.7
290.10208	1.4
291.13562	0.9
299.10260	6.6
317.11337	24.2
318.09775	1.9
335.12390	100.0
336.12781	1.4
411.08936	0.5
425.74493	0.5
426.69778	0.6
497.17880	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01853	0.7
55.05507	0.8
57.03444	2.3
57.07077	3.2
61.02924	2.5
67.05511	4.8
69.03434	7.0
69.07070	5.6
70.42544	0.6
71.04990	1.0
71.09038	1.4
73.02924	2.0
79.05502	8.7
81.03426	2.5
81.07063	100.0
82.07403	1.3
85.02913	46.9
87.04471	1.4
91.03969	2.7
93.07069	1.0
95.08615	23.3
97.02896	11.4
99.04480	1.4
101.99162	0.6
103.03967	0.7
107.08562	0.7
109.02880	3.9
109.10194	2.4
118.45957	0.6
121.62553	0.7
127.03927	12.5
127.04829	1.0
137.13268	25.9
145.04973	25.6
156.68698	0.6
159.11853	0.7
163.06030	16.4
217.48701	0.7
245.37427	0.7
263.15771	0.7
289.09219	1.0
303.56622	0.7
325.11349	0.9
408.14917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
56.05030	0.5
57.07068	0.8
58.06383	0.2
58.06617	0.3
60.08167	6.1
67.05490	0.2
69.39665	1.3
71.07375	2.8
71.08646	0.5
81.07083	0.3
85.10156	0.2
85.38377	0.2
86.09711	29.9
89.06059	0.2
95.08595	0.3
98.98468	2.5
104.10758	3.0
123.40919	0.2
125.00013	20.0
140.45560	0.2
184.07350	100.0
199.55064	0.2
270.04724	0.2
327.98785	0.2
478.33105	1.1
496.33926	2.0
497.32382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3399
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05515	0.6
56.05030	1.0
57.03420	0.6
57.07078	2.4
58.06598	1.3
58.76061	0.5
58.99633	0.6
60.08167	14.1
63.76623	0.6
69.07076	0.6
69.24987	5.4
69.25301	1.3
71.07376	5.9
71.08632	1.7
72.58025	0.6
81.07063	0.5
83.08620	0.9
85.10181	1.2
86.09711	45.0
86.42331	0.5
95.08617	1.0
98.21564	1.0
98.98485	2.8
103.86921	0.5
104.10748	100.0
109.10149	0.9
125.00009	22.9
128.12527	0.5
163.01566	0.8
184.07350	99.0
258.11240	1.5
313.27396	2.4
326.90384	0.6
419.25781	0.7
478.32956	9.3
496.33987	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	496.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.05510	1.2
65.03938	1.2
67.05483	1.2
69.07076	1.0
70.05528	4.2
79.05504	3.4
81.03435	1.9
81.07051	1.7
84.00259	0.8
91.05499	13.8
93.07050	14.4
95.08609	1.3
105.07062	1.5
107.08609	20.7
109.06524	1.1
119.04952	22.2
123.75456	1.0
127.34252	0.9
131.67830	0.8
135.11710	10.8
141.82121	0.9
147.04420	100.0
148.04723	1.1
152.03699	0.8
165.05478	1.6
212.42281	0.9
215.84581	1.0
220.12064	1.0
231.66632	1.0
291.08704	1.3
309.09814	1.3
451.65161	0.9
459.06015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01853	0.7
55.05507	0.8
57.03444	2.3
57.07077	3.2
61.02924	2.5
67.05511	4.8
69.03434	7.0
69.07070	5.6
70.42544	0.6
71.04990	1.0
71.09038	1.4
73.02924	2.0
79.05502	8.7
81.03426	2.5
81.07063	100.0
82.07403	1.3
85.02913	46.9
87.04471	1.4
91.03969	2.7
93.07069	1.0
95.08615	23.3
97.02896	11.4
99.04480	1.4
101.99162	0.6
103.03967	0.7
107.08562	0.7
109.02880	3.9
109.10194	2.4
118.45957	0.6
121.62553	0.7
127.03927	12.5
127.04829	1.0
137.13268	25.9
145.04973	25.6
156.68698	0.6
159.11853	0.7
163.06030	16.4
217.48701	0.7
245.37427	0.7
263.15771	0.7
289.09219	1.0
303.56622	0.7
325.11349	0.9
408.14917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
53.68615	2.5
55.01859	7.9
55.05509	29.0
57.03424	12.6
61.02920	10.8
65.03949	2.8
67.05183	4.8
67.05511	62.6
69.03433	8.7
69.07066	23.4
71.01363	2.9
71.04993	12.9
71.23548	4.1
71.23900	4.9
73.02912	3.7
74.94474	3.0
79.05495	52.4
81.03424	46.2
81.06593	5.8
81.07061	96.6
83.05006	16.0
83.08627	26.6
85.02488	3.3
85.02910	26.8
85.06561	6.1
85.26002	2.8
91.03953	5.1
91.05487	65.3
93.07052	43.1
94.07410	2.7
95.04973	22.6
95.08613	32.9
97.02879	4.4
97.06522	6.5
97.10191	5.4
99.08099	5.5
105.07045	49.3
107.04961	6.3
107.08600	29.8
108.63780	2.8
109.06512	7.2
109.10152	14.9
111.04378	3.3
111.08083	10.9
115.05485	3.1
117.07029	12.0
119.08591	43.6
121.06523	4.2
121.10172	31.1
123.08078	6.5
123.11718	24.8
125.09656	5.0
127.07605	5.2
129.07014	12.2
131.08568	17.7
133.06464	4.8
133.10159	24.0
135.11688	10.2
137.09622	9.0
139.11147	3.2
143.08557	4.4
145.10172	14.8
147.08026	5.4
147.11693	52.5
149.09685	4.3
149.13280	7.5
151.11221	3.6
152.25592	2.9
155.08575	4.7
157.10150	17.1
159.11725	11.4
163.11238	5.0
165.12772	16.5
169.10130	4.0
171.11662	5.7
173.13254	4.5
175.11188	11.8
175.14851	4.8
185.13336	3.0
187.14793	4.5
193.12248	38.8
195.13797	3.5
199.14812	3.2
209.11761	5.5
211.13228	42.4
229.14316	3.2
259.20471	3.9
267.15933	28.0
277.21835	3.0
285.17093	3.8
333.24454	3.5
334.06909	3.1
367.22336	3.5
385.23813	3.6
441.26450	3.8
477.28677	9.2
495.30060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
54.74098	1.4
55.01876	3.6
55.05275	2.0
55.05516	24.9
57.03440	17.4
57.07079	2.2
58.06807	1.3
65.03944	3.6
66.61939	1.6
67.05508	39.4
69.03425	7.1
69.07069	12.5
69.39342	5.8
69.39761	5.8
71.05003	7.4
79.05499	45.9
81.03423	96.7
81.07059	46.8
83.04988	18.8
83.08629	29.9
85.02914	46.5
85.06551	5.3
85.87663	1.6
91.05491	52.1
93.07051	28.8
95.04974	41.0
95.08617	19.2
97.02910	4.9
97.06525	7.7
97.10182	6.9
99.04497	1.6
99.08111	3.6
105.07032	36.7
105.07697	2.4
107.04967	8.0
107.08595	15.5
109.06528	13.8
109.10141	7.2
111.04475	4.8
111.08097	15.0
113.06023	5.5
115.05488	2.1
117.07040	3.1
119.04976	2.7
119.08588	28.6
120.46764	1.7
121.02854	1.6
121.06525	5.1
121.10155	16.1
123.08104	5.5
123.11721	3.7
125.05949	1.5
125.09672	5.5
129.07008	18.6
131.08582	18.5
133.06520	6.1
133.10126	15.0
135.08047	2.2
135.11681	1.9
137.05997	3.5
137.09637	3.2
142.07785	4.5
143.08640	1.5
145.10144	5.3
147.04434	5.7
147.08095	4.1
147.11710	23.2
149.09625	10.1
151.07576	2.2
154.98489	1.5
157.10132	21.3
159.11816	2.1
161.05917	1.8
163.03967	2.4
165.12805	6.3
167.07120	3.9
175.11211	22.5
179.10625	1.5
180.09300	1.6
185.03951	1.7
189.09230	1.8
191.14273	1.9
193.12265	92.3
211.03702	1.5
211.13298	100.0
267.16025	5.7
285.17026	4.1
385.23926	2.4
431.15182	1.9
433.26208	2.1
451.26895	1.7
459.31543	2.3
477.28348	5.0
495.29584	83.4
496.29892	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.05514	21.8
57.03440	14.6
59.04995	1.4
65.03947	1.7
67.05507	38.0
69.03426	5.0
69.07074	9.9
71.04994	7.2
72.54105	0.7
77.03922	1.3
79.05495	38.6
81.03420	88.5
81.07059	39.8
82.07368	0.8
83.04981	19.7
83.08623	34.1
85.02907	48.6
85.06530	3.2
87.04474	1.1
88.00495	0.7
91.05483	49.6
93.06490	1.6
93.07046	27.4
95.04969	38.5
95.08610	16.9
97.02892	4.7
97.06536	6.0
97.10193	4.9
99.04374	1.2
99.08081	1.6
103.05434	1.6
105.04504	1.7
105.07031	29.6
107.04963	7.8
107.08599	12.1
109.02354	0.8
109.06516	5.4
109.10139	5.0
111.04430	3.2
111.07392	1.3
111.08095	17.1
113.06003	5.1
115.05458	1.7
116.76732	0.8
117.07034	2.8
119.08586	27.8
121.06499	3.1
121.10151	16.8
123.08064	3.6
123.11707	3.5
125.06011	1.5
125.09631	3.0
127.07603	1.1
129.07016	14.6
131.08571	14.6
133.06512	3.9
133.10132	14.7
135.08089	1.5
135.11697	0.8
137.05962	0.8
137.09631	3.3
142.07780	4.9
143.24878	0.7
145.06580	0.9
145.10101	2.3
147.08046	4.9
147.11685	23.3
149.09633	8.4
157.10130	18.4
163.11200	1.1
165.12740	6.2
175.11182	22.4
189.11198	1.3
193.12250	94.3
194.12601	1.4
195.11650	1.0
211.13295	100.0
214.18526	0.8
267.15958	7.0
285.16953	3.1
359.22156	1.4
385.23764	1.5
403.25018	1.0
433.26740	1.0
456.30579	0.8
459.27524	1.9
477.28616	4.6
495.29532	80.7
496.29727	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	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
54.56665	0.9
54.94741	1.0
55.05513	24.5
57.03439	13.1
59.04999	1.2
65.03928	2.8
66.93435	1.1
67.05507	39.0
69.03442	5.3
69.07075	10.3
69.54163	3.8
69.54581	3.5
71.04995	8.9
79.05495	40.4
81.03422	88.7
81.07055	46.7
83.04499	1.4
83.04983	20.8
83.08622	31.8
85.02911	45.6
85.06537	3.3
91.05485	51.4
93.07045	29.5
95.04969	34.6
95.08614	19.5
97.02890	4.8
97.06532	6.6
97.10172	5.8
99.08115	1.4
103.05448	1.3
104.19638	1.1
105.04517	1.9
105.06310	1.8
105.07035	36.2
107.04951	8.8
107.08596	15.6
109.06525	8.2
109.10149	8.4
111.04447	3.7
111.08091	18.4
113.06030	4.6
115.05470	3.1
117.07011	3.5
119.07691	1.6
119.08582	29.9
121.06524	3.3
121.09331	1.9
121.10139	18.2
123.08070	3.4
123.11701	3.7
123.86278	0.9
125.09628	3.1
128.06190	1.5
129.07019	14.8
131.08569	18.0
133.06497	3.8
133.10133	17.6
135.11688	2.1
137.05927	0.9
137.09621	3.7
142.07805	6.2
143.08563	1.3
145.10129	6.4
147.08046	4.3
147.11688	22.9
149.09636	7.7
149.13307	1.4
155.08606	1.1
157.10136	20.1
159.11673	2.2
163.11212	1.8
165.12727	6.7
175.11195	21.7
185.13235	1.4
187.14839	3.4
193.12250	87.6
195.13724	1.0
199.11290	1.2
205.15952	3.1
211.13297	100.0
212.13657	2.0
221.11749	1.4
223.16898	1.8
249.15079	1.0
260.12729	1.1
267.15900	8.1
285.16971	4.9
377.28387	1.5
405.26425	2.8
413.30084	1.9
415.32162	1.4
431.31592	3.3
436.56693	1.1
459.26752	1.7
477.27863	3.1
477.32288	3.0
495.29550	78.4
496.29913	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	495.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01867	3.3
55.05512	1.5
57.03445	8.3
57.07080	10.2
59.04985	4.1
61.02940	12.9
67.05511	10.7
69.03092	2.1
69.03432	24.3
69.07068	6.8
70.06574	1.9
70.77960	3.2
70.78295	2.2
71.04997	6.7
73.02911	6.0
76.82626	1.6
81.03423	13.3
81.07061	4.5
83.08643	3.8
85.02911	100.0
85.06536	6.5
87.04481	1.8
91.03955	5.0
91.05460	1.9
93.07046	7.0
95.04947	3.8
95.08611	51.6
97.02311	2.2
97.02897	31.8
97.06514	3.7
99.04443	5.0
99.08086	9.1
107.08552	3.9
109.02869	11.7
109.06522	11.1
109.10151	10.3
111.08072	5.1
111.11709	2.5
113.09653	71.4
115.03905	2.3
127.03925	21.1
127.11200	17.9
133.04976	7.1
135.08049	1.7
135.11693	9.8
137.13252	4.5
145.04984	27.6
153.11522	3.4
153.12756	53.8
153.92104	1.5
155.14288	10.7
163.06056	3.7
171.13814	42.4
171.15269	2.2
177.12721	2.5
179.05499	6.5
195.13828	3.1
202.09644	1.5
206.11504	1.9
213.14838	11.7
236.93236	1.8
279.16034	4.0
297.17053	2.3
333.19086	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	21.7
63.48291	7.2
67.05489	22.8
69.07062	15.4
71.04335	11.9
71.04656	10.9
79.05479	24.8
81.07059	51.6
83.04976	9.9
83.08620	18.7
85.06545	12.0
91.05483	16.8
93.07053	43.8
95.04937	11.6
95.08612	59.9
99.08110	44.8
101.02310	6.8
105.07034	56.4
107.08591	72.1
109.06487	12.7
109.10171	35.0
111.08089	10.6
111.41969	6.6
119.07789	11.2
119.08579	78.8
121.10154	49.7
122.10439	8.0
123.11695	13.1
127.07564	23.8
131.08580	19.5
133.02794	8.2
133.10153	49.1
135.11714	33.9
143.08545	16.8
145.10095	38.0
146.10574	8.5
147.11731	34.4
148.56206	6.5
149.09616	16.4
149.13286	8.8
157.10092	22.4
159.11665	50.1
161.13240	28.2
163.11217	17.1
163.14763	15.5
171.11612	11.8
173.13261	27.2
175.14804	30.8
177.16415	14.4
183.11752	14.2
185.13246	25.2
187.14836	27.9
189.10550	7.9
189.16324	18.4
199.14815	23.5
201.16376	16.5
203.14310	33.4
205.15903	51.7
207.17418	18.9
213.16412	18.1
215.17955	13.8
217.15843	19.0
219.17326	7.5
221.15495	10.7
223.16920	15.6
235.16890	10.7
322.27557	11.9
387.31049	8.0
405.31464	30.8
423.32645	66.2
441.28909	7.9
441.33789	100.0
444.69016	6.9
459.34885	42.9
494.29486	8.8
495.30978	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	494.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.01872	2.3
55.05511	12.1
57.07078	2.4
59.05023	2.9
67.05513	16.4
69.03406	2.7
69.07079	14.9
69.85210	11.6
71.05003	2.4
78.34740	2.0
79.05494	14.5
81.07063	34.9
83.04993	2.4
83.08644	7.7
83.82090	1.9
85.06530	4.1
91.05473	21.7
93.07050	34.5
95.04949	4.9
95.08611	44.9
97.06565	3.6
97.10199	2.1
98.21445	2.6
99.08110	9.4
105.07038	63.2
107.08597	55.4
109.06513	9.3
109.10165	39.8
109.10857	3.7
111.08102	8.8
117.07027	6.6
119.08588	75.1
121.06523	2.6
121.10151	52.1
123.08084	6.9
123.11729	16.2
125.09631	5.3
128.06210	2.1
129.07040	4.9
130.07849	3.6
131.08571	31.1
133.06477	4.2
133.10138	54.4
133.11107	3.9
135.08061	4.7
135.11708	31.8
137.09642	4.7
137.13278	3.3
142.07796	4.2
143.08553	17.9
144.09398	2.3
145.10130	45.8
147.08040	3.0
147.11693	39.3
149.09612	7.3
149.13251	13.5
151.11237	5.2
155.08626	6.0
156.09354	4.4
157.10112	25.5
158.10886	3.5
159.11694	47.6
161.09613	4.5
161.13274	30.2
163.09947	2.1
163.11131	9.6
163.14807	16.5
169.10222	5.6
170.10913	8.3
171.11708	16.6
173.13277	32.1
175.11200	2.8
175.14827	39.5
177.12796	7.6
177.16382	18.2
179.14307	5.0
182.10846	2.5
183.11702	8.8
184.12563	3.1
185.13258	31.7
187.14828	38.4
189.12843	3.8
189.16383	18.6
191.14330	10.1
193.15973	3.2
195.11641	2.8
197.13298	4.2
199.14851	26.8
201.16422	19.3
203.14333	65.4
203.18001	4.7
205.15897	66.6
207.17480	4.9
211.14822	7.7
213.16467	11.7
215.14397	3.3
215.17972	8.9
217.15817	19.9
219.17448	9.0
221.15416	8.9
221.18867	2.4
223.14954	2.2
223.16933	40.9
225.16409	4.1
227.17972	5.9
229.15881	2.6
231.17490	8.5
235.16978	5.6
237.16423	2.4
241.19594	2.6
243.17471	5.4
251.18015	3.2
253.19476	7.1
255.21123	2.7
267.21112	3.1
271.20496	2.9
283.20673	2.6
285.22217	2.9
301.21729	2.7
325.25214	2.8
343.83188	2.4
387.30457	6.2
389.26926	2.2
393.31570	3.3
403.13095	2.0
405.31580	28.9
423.26831	3.2
423.32581	60.1
428.00089	2.4
441.33670	100.0
442.33838	3.9
459.34824	13.7
494.38248	2.5
495.30856	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	494.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.0
53.10122	2.0
55.05512	11.5
57.07070	3.6
59.35716	2.4
67.05521	12.8
69.07071	15.7
69.55276	15.5
79.05511	11.9
81.07058	31.3
83.08616	10.2
91.05482	18.3
93.07051	35.2
95.08617	45.2
97.06557	2.5
99.08112	7.4
105.07043	51.1
105.35864	2.2
107.08601	58.9
109.06519	9.4
109.10159	36.0
111.08076	4.0
114.92854	2.3
115.05521	2.4
117.07021	5.3
117.79334	2.4
119.07726	4.1
119.08581	78.6
121.06512	3.4
121.10143	45.5
123.08126	4.0
123.11724	10.8
124.15833	2.7
128.06195	2.8
129.07027	5.5
131.08600	26.3
133.06483	3.8
133.10141	54.3
135.08107	5.7
135.11699	32.8
137.09637	5.1
142.07765	3.4
143.08588	19.8
144.09369	5.0
145.10133	50.6
147.11703	34.7
149.09651	4.6
149.13303	14.2
151.11252	6.3
155.08534	4.4
156.09381	2.7
157.10136	22.6
158.10965	3.5
159.10451	4.4
159.11697	40.7
161.09592	4.1
161.13257	30.5
163.11180	7.8
163.14774	12.7
169.10138	6.6
170.10916	4.0
171.11722	17.1
173.13315	26.5
175.11154	5.1
175.14844	29.7
177.12808	5.9
177.16393	23.5
179.14348	4.6
183.11742	10.2
185.13269	36.0
187.14819	40.9
189.12761	4.1
189.16382	17.6
191.14349	6.3
191.17957	2.6
197.13222	6.8
199.14856	26.3
201.16362	15.4
203.14314	64.8
203.18011	4.4
205.15892	61.8
211.14835	7.8
213.16400	10.2
215.17934	7.6
217.15915	20.2
219.17522	7.6
221.15361	9.1
223.14900	3.1
223.16927	36.5
227.18047	4.5
229.15901	5.0
231.17488	5.4
235.16965	6.1
239.18047	3.4
239.46271	2.5
253.19614	6.2
267.21274	3.7
271.20670	5.3
273.22253	2.6
369.28107	2.6
387.30533	5.7
393.31339	3.0
405.31601	30.4
423.26956	3.1
423.32565	52.7
441.33652	100.0
458.36044	3.5
459.34833	11.0
494.38367	3.1
495.30820	3.0
521.97858	2.8
524.37573	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	494.3242
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05508	2.0
56.05028	1.3
57.07086	0.6
57.78458	0.6
58.04634	0.7
58.06605	1.6
60.08170	18.4
67.05502	2.3
69.07080	3.3
70.02101	1.3
70.02509	1.7
70.06623	1.2
71.07383	6.4
71.08606	0.5
79.05499	1.9
81.07065	3.0
83.08620	1.8
86.09711	50.5
88.07600	0.6
91.05452	1.2
93.07049	1.8
95.08601	3.1
97.06564	0.7
97.10172	0.7
98.21550	0.6
98.98483	3.9
104.10751	100.0
105.07008	1.6
107.08605	2.0
109.10212	0.9
119.08562	0.9
121.10164	1.9
125.00012	27.8
131.08542	0.7
133.10129	0.6
135.11702	1.2
149.02386	1.9
149.13290	0.6
161.74608	0.5
162.88387	0.6
163.01526	0.8
181.93347	0.6
184.07353	95.6
193.05040	1.6
201.16510	0.6
225.59862	0.7
237.07646	1.4
253.90785	0.6
258.11121	0.9
284.26392	0.6
284.29489	1.2
311.25748	1.1
476.31415	7.2
494.32651	28.9
495.30920	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01877	3.6
57.03438	3.7
57.72632	1.6
61.02935	8.6
69.03426	19.2
69.37472	9.3
71.04979	1.9
73.02927	4.4
81.03420	6.8
85.02912	100.0
87.04466	2.3
91.03970	7.1
97.02901	27.4
97.19078	1.2
99.04468	4.2
109.02879	10.6
121.02872	25.8
127.03928	27.1
130.33781	1.6
145.04979	52.5
152.07077	2.4
153.05487	30.5
155.81262	1.5
163.06010	16.8
328.28595	1.5
348.07788	1.7
412.65332	1.7
468.63208	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3245
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05507	2.2
55.77045	0.6
56.05026	1.0
57.07068	1.1
58.06608	1.0
60.08167	15.9
63.92968	0.8
67.05504	2.7
69.07079	2.7
70.06617	1.0
71.07378	7.7
76.10311	0.5
79.05487	1.6
81.07066	3.3
83.08620	1.8
86.09711	47.5
88.07631	1.0
91.05462	0.8
93.07059	1.9
95.08617	2.6
97.10165	0.8
98.21543	1.3
98.98463	3.7
102.09229	0.8
104.10751	100.0
105.07082	0.8
107.08598	3.0
109.10188	1.0
119.08634	1.0
121.10143	1.6
125.00014	26.7
133.10098	0.8
135.11694	1.3
136.42366	0.6
137.13208	0.6
145.10162	0.7
149.02367	2.0
151.11153	0.6
159.11574	0.6
184.07355	94.3
193.04953	1.1
237.07645	1.4
238.67439	0.6
258.11008	1.1
284.29459	1.3
305.39072	0.6
311.25906	1.9
357.72491	0.7
417.23996	0.7
476.31360	9.2
494.32663	30.3
495.30841	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39429	0.4
55.05513	3.8
56.05010	0.4
59.78647	0.4
67.05494	1.3
69.90829	0.4
70.56306	0.4
70.56633	1.0
71.92867	0.4
72.08157	46.3
75.05232	0.4
77.95137	0.4
79.05487	1.0
81.03417	0.7
81.07057	1.6
83.04965	0.6
83.08618	0.6
86.00022	0.4
86.09734	0.7
91.05478	1.4
93.07066	2.4
94.30086	0.4
95.04961	0.9
95.08601	1.0
103.05469	2.6
104.10730	0.7
105.07026	1.2
107.04934	0.4
107.08575	1.4
107.61535	0.4
119.08603	0.8
120.08109	100.0
121.08449	0.8
121.10140	0.9
131.08621	1.0
133.10152	0.9
135.11671	0.5
145.10143	0.8
147.11728	0.5
151.18268	0.4
159.11667	0.6
160.12184	0.4
171.14938	8.2
174.12817	2.4
184.07484	0.5
187.14819	0.5
191.94955	0.4
193.12227	0.5
199.14413	6.9
205.15999	0.7
216.14755	0.4
219.14938	18.6
222.12730	0.7
226.09981	0.5
247.14430	20.4
267.14957	8.4
273.19617	1.1
295.14423	12.3
301.19147	3.5
321.19687	0.8
328.19965	0.6
346.21307	6.4
349.19037	1.9
394.21268	5.0
440.90134	0.5
448.25854	0.4
457.32864	0.6
465.28909	1.0
475.34155	0.6
493.27881	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	56.0
67.05506	41.5
69.03416	15.5
69.07055	41.5
69.47536	96.7
79.05498	35.3
81.02093	13.9
81.03412	18.2
81.07058	74.8
83.04962	16.3
83.08606	70.2
83.31392	13.6
91.05466	46.5
93.07030	61.9
95.08599	70.9
99.08118	25.7
105.07043	78.2
107.08582	67.6
109.06571	18.2
109.10143	46.6
111.08083	21.8
111.99818	16.3
112.68275	15.3
117.06950	20.5
119.08588	54.2
121.00249	15.1
121.06490	26.9
121.10148	35.8
123.08021	16.3
129.07005	20.9
129.09125	35.2
131.08543	45.8
133.10104	50.7
135.07990	20.6
135.11743	19.9
137.05975	100.0
137.09628	18.1
139.11162	30.2
143.08569	20.8
145.10123	47.9
147.04413	32.1
147.11664	37.5
149.09662	23.9
151.07603	28.3
153.01825	40.8
157.10164	25.0
159.11731	47.7
161.13350	23.3
165.09116	20.2
166.77783	17.4
171.11620	21.3
173.13226	29.1
187.14856	30.0
201.12715	21.7
203.14328	21.4
323.12756	17.9
335.18079	15.8
421.30963	23.6
439.31985	38.6
457.33231	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2799
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03941	8.2
55.01873	18.2
55.05514	41.7
57.03439	16.3
57.07052	2.6
59.04996	4.9
65.03936	4.1
67.05510	44.7
69.03412	3.9
69.07066	13.2
71.01353	2.9
71.04994	11.7
71.49677	1.7
77.03918	2.0
79.05492	58.3
81.03423	78.9
81.06601	3.0
81.07059	53.7
83.01351	9.3
83.04980	31.2
83.08627	38.2
85.02908	34.9
85.06548	3.7
86.99769	1.5
87.04492	2.2
91.05483	56.4
93.07047	59.0
93.88911	1.5
95.04973	37.3
95.08611	21.9
97.02898	7.2
97.06517	10.0
97.10172	7.2
99.04465	3.5
99.08080	4.7
105.04513	1.9
105.07038	38.2
107.04953	20.6
107.08592	26.5
109.06520	14.4
109.10163	12.7
111.04444	9.3
111.08092	16.6
111.79382	1.6
113.06028	3.7
115.05457	3.1
117.07037	16.1
119.08590	34.6
121.06570	8.7
121.10139	22.8
123.08080	13.9
123.11737	3.6
125.09646	5.8
125.10485	1.6
129.07014	15.9
130.07838	2.6
131.08563	17.5
133.06480	5.2
133.10156	18.2
135.08047	6.6
135.11696	17.0
137.06023	1.8
137.09613	4.9
142.07780	1.8
143.08556	3.5
145.06514	2.0
145.10124	25.3
147.08073	6.3
147.11693	18.1
148.12000	1.6
149.09639	11.5
149.13341	1.7
151.07567	3.0
153.12724	5.3
155.08566	2.1
157.10110	14.1
159.11656	2.9
163.11189	41.5
165.12827	4.1
169.10231	2.2
171.11610	2.0
173.09662	4.5
173.13232	2.7
175.11194	20.2
178.63759	1.9
181.12267	6.8
185.13237	2.6
187.14815	3.1
189.11211	2.8
189.87793	2.1
191.10614	6.7
191.14328	2.2
193.10457	3.4
193.12250	69.4
209.11723	13.1
211.13292	72.9
227.12828	8.2
267.15921	3.6
282.81287	1.7
283.15399	3.1
383.22192	3.5
401.23328	3.0
457.33310	2.6
475.26959	4.2
475.33798	4.4
493.27942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.37
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	45.2
58.00946	15.3
59.13576	13.0
63.72581	16.0
67.05497	35.4
69.07061	35.4
69.49477	26.2
69.49879	81.3
79.05491	54.6
81.03434	22.8
81.07046	82.3
83.04966	19.6
83.08598	18.8
83.10244	14.5
91.05460	48.9
92.05749	17.5
93.07075	78.6
95.04941	22.4
95.08609	72.1
97.06541	22.5
99.08087	44.5
100.86388	14.1
105.07044	79.0
107.08595	91.1
109.06525	33.0
109.10129	34.8
109.80058	15.3
111.08128	20.0
117.07021	28.6
119.08590	100.0
120.08911	39.0
121.06538	26.1
121.10181	80.8
127.07584	16.3
129.07016	14.3
131.08588	60.5
133.10120	66.7
134.10472	33.3
134.50432	13.2
135.11700	33.1
145.10129	59.5
146.10464	18.0
147.08049	26.6
147.11703	43.6
157.10196	18.5
159.11644	42.8
160.12091	16.6
161.09673	19.2
161.13239	19.4
163.11206	22.4
171.11719	14.4
172.12099	18.2
173.13274	34.0
175.11089	16.2
175.14766	18.2
176.15257	15.4
177.16335	20.6
187.11090	26.9
187.14874	41.5
188.15166	20.3
189.12663	20.6
191.14363	17.2
205.15840	61.8
219.13786	31.1
223.16916	56.4
438.30759	39.6
445.33936	16.5
446.32397	18.1
456.31720	48.5
457.33069	61.8
474.32764	66.6
492.33978	75.8
505.33441	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2064
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
50.78455	2.8
53.03961	3.1
55.01872	3.6
57.03429	9.1
62.14806	2.9
66.62733	2.8
69.03434	15.5
70.27770	11.4
71.04994	27.9
79.05498	9.8
81.07058	5.1
84.25257	3.0
85.02901	25.6
91.05479	11.1
93.07090	4.8
95.04979	7.6
98.20865	3.9
103.05470	40.2
105.07018	20.0
107.04932	5.4
111.04435	14.8
112.35561	3.4
115.05477	5.5
117.03198	3.4
119.04939	9.8
119.08531	3.2
120.08121	3.2
121.06535	7.6
123.04436	5.2
129.05518	4.9
130.04169	4.5
131.04924	100.0
133.02835	6.4
133.06464	8.6
134.15259	3.6
135.04390	5.1
137.05983	70.2
145.06546	8.0
147.04390	30.4
147.08104	7.3
149.05930	17.5
150.06743	6.0
151.07579	11.5
161.05986	36.3
162.06776	20.0
163.03949	5.8
163.07539	63.4
171.04355	4.2
171.08063	7.4
173.05995	9.2
175.07510	20.0
177.05424	4.1
179.07037	5.9
187.07503	10.4
189.09143	3.2
191.07071	10.5
193.08571	18.7
199.07509	8.4
203.07019	5.4
205.08662	6.6
217.08594	8.3
229.08508	4.7
259.09726	5.7
265.08640	4.6
285.11227	10.2
297.11279	17.7
311.13266	4.1
315.12280	7.6
317.13986	7.9
323.12814	5.8
331.08115	11.1
380.84360	3.1
439.17474	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	492.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74602	2.4
54.15162	2.4
59.04524	2.5
62.16088	2.3
69.40858	22.2
77.42568	2.5
93.07023	3.8
95.08648	3.3
99.08101	100.0
105.07059	3.7
107.08594	10.1
109.10149	4.3
109.83097	2.3
111.11487	2.3
119.08571	7.1
121.10120	7.5
127.07565	59.7
133.10126	3.3
135.11685	4.7
145.08612	4.4
145.10109	3.3
189.16321	3.0
205.15976	4.2
243.17606	2.6
295.24121	3.7
301.93213	2.6
313.25122	4.1
336.50891	2.9
354.73123	2.9
385.27420	4.3
457.33078	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	491.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57431	4.6
55.05521	31.6
58.35773	5.3
67.05507	27.2
69.07074	31.4
69.15337	8.8
69.15740	48.4
69.85815	5.7
79.05490	24.6
81.07063	52.4
83.04969	10.5
83.08620	23.1
91.05471	31.6
93.07052	61.0
95.04970	6.6
95.08614	69.1
99.08080	13.9
105.07025	56.5
107.08603	83.9
109.06507	6.1
109.10149	48.5
111.08073	13.4
117.06963	8.8
119.08576	76.4
120.08121	6.4
121.10160	76.4
123.08059	7.4
123.11701	17.4
131.08568	27.5
133.06322	6.0
133.10136	83.7
135.08054	10.1
135.11674	39.0
137.09636	11.1
145.10143	44.0
147.04379	9.5
147.11713	53.3
149.09613	8.5
149.13225	18.2
153.09117	5.8
153.73613	6.2
157.10135	8.1
159.11699	39.9
159.15559	5.2
161.13313	27.7
163.11179	18.3
163.14787	18.7
165.09119	9.8
167.10709	10.4
171.11708	6.2
173.13249	20.3
175.14868	35.9
177.05562	6.7
177.08990	5.9
177.12836	8.8
177.16385	34.3
181.12163	5.0
183.11726	7.9
185.13344	9.2
187.14833	42.3
189.16367	31.5
191.14259	7.5
191.17972	16.2
199.14781	9.2
201.14810	5.1
201.16380	29.3
203.17978	78.8
205.15900	100.0
207.17407	7.3
213.16339	10.5
219.13876	4.9
219.17487	9.4
223.16975	9.6
231.17372	11.0
249.18524	20.1
269.80652	6.2
324.48996	5.4
338.17288	5.4
399.75787	5.8
409.34818	58.5
437.34549	41.1
455.35635	51.3
473.31799	15.4
491.33868	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	491.3734
Annotation	Armatinol B
Peak:m/z	Relative Intensity
55.05513	28.6
57.03433	5.4
58.84931	5.8
66.19316	5.0
67.05504	36.0
69.07072	30.5
69.60272	15.3
69.60684	18.5
79.05508	44.7
81.03406	12.9
81.05737	5.4
81.07068	58.0
83.04975	9.9
83.08611	23.1
91.05492	49.0
93.07054	65.5
95.04960	18.6
95.08616	60.5
97.06532	10.4
97.10165	9.1
99.08086	21.1
105.07047	54.3
107.08598	97.0
109.06530	8.2
109.10174	46.5
111.08061	6.9
117.07000	12.9
117.51490	5.1
119.07800	9.5
119.08582	89.3
119.22342	4.9
121.06462	9.9
121.10151	77.8
123.08073	7.4
123.11720	22.4
127.07558	8.1
129.06979	8.0
131.08598	31.6
133.10135	76.9
135.08098	9.7
135.11693	48.4
137.09630	12.9
143.08572	15.3
145.09024	9.1
145.10103	54.0
146.18114	6.3
147.11678	48.7
149.09631	12.5
149.13263	19.0
153.09109	8.3
157.10091	10.1
159.11690	49.1
161.13255	30.1
163.11160	14.9
163.14804	19.6
167.10637	11.6
171.11664	17.1
173.13234	20.1
175.11165	6.9
175.14821	26.0
177.12778	5.7
177.16408	41.1
185.13266	8.0
187.14812	42.3
189.12805	6.0
189.16399	30.9
191.17964	9.7
193.12263	12.4
199.14835	8.2
201.16399	19.9
203.17969	72.4
205.15875	100.0
205.19441	5.4
207.13956	7.7
211.13210	8.5
213.16228	8.1
215.18080	8.5
217.15910	9.1
219.17500	12.7
223.16925	10.9
229.16064	5.7
231.17371	9.8
249.18488	30.0
391.33087	7.2
409.34723	57.3
419.29547	12.4
437.35187	25.3
455.35867	49.3
473.32269	11.2
491.29681	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	491.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.7
55.01875	8.4
55.05533	36.2
57.07079	9.8
57.36551	4.9
67.05518	43.3
69.03431	10.1
69.07073	46.6
69.19152	4.9
69.72387	21.5
69.72800	7.4
77.03945	5.5
78.30096	4.9
79.05502	35.6
81.03412	10.1
81.07063	94.8
83.04998	8.4
83.08631	33.1
85.02917	8.7
85.06540	14.5
91.05502	34.1
93.07054	47.5
94.07392	5.0
95.04984	18.3
95.08617	100.0
95.09187	9.2
97.06542	20.2
97.10177	16.2
98.20783	5.1
99.08102	27.9
103.05492	5.9
103.83728	5.1
105.07045	54.3
107.04972	12.8
107.08607	65.1
109.06536	16.4
109.10166	55.1
111.08133	12.0
111.11726	10.9
117.07044	7.6
119.04985	7.4
119.08604	69.8
120.08897	5.7
121.06522	12.0
121.10147	48.0
123.08113	10.0
123.11732	22.1
125.09650	10.6
127.07597	6.3
129.06978	8.1
129.09081	7.9
131.08601	27.9
133.06522	8.6
133.10165	49.3
135.08055	26.7
135.11713	19.5
137.05995	23.2
137.09642	13.8
137.13269	5.2
139.11188	6.6
143.08588	21.0
145.10156	35.7
147.04443	7.8
147.08125	12.7
147.11681	28.3
149.05959	7.2
149.09668	14.4
149.13322	14.0
151.07590	14.6
151.11203	9.7
151.14818	11.7
156.09306	5.9
157.10124	15.5
159.08102	8.5
159.11716	28.1
161.09637	11.7
161.13232	16.7
163.11240	7.1
163.14857	13.9
165.09151	22.5
165.12689	8.0
167.07065	9.6
167.08455	6.4
169.10150	10.8
171.11748	22.0
173.09647	5.1
173.11926	5.0
173.13220	26.4
175.14856	18.8
177.05504	6.2
177.16406	9.2
183.11705	11.7
185.13245	18.1
187.11285	6.4
187.13425	5.2
187.14807	29.2
189.09064	8.3
189.12744	10.1
191.14394	10.4
193.16217	5.0
199.14716	7.4
201.12796	6.9
202.54497	5.9
203.14395	10.5
205.15878	12.7
207.13893	6.1
209.13232	7.6
213.16428	7.5
217.12206	6.6
217.15860	6.2
219.13809	9.3
221.15424	8.4
223.16962	12.8
237.16469	6.4
293.28406	7.3
339.23276	7.6
374.95068	5.2
419.29788	9.3
437.30701	18.7
455.31491	40.2
459.18466	5.9
473.32849	55.7
491.19199	6.5
491.34079	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.8
55.01883	14.9
55.05516	43.7
57.03449	6.7
59.04967	4.6
67.05510	57.2
69.03448	9.1
69.07078	31.2
71.05006	19.9
71.33486	4.4
71.49804	9.2
79.05493	63.2
81.03443	16.4
81.07063	76.0
83.05002	15.7
83.08632	27.3
85.06553	9.0
91.05496	49.0
93.07048	76.9
94.07372	8.7
95.04988	31.8
95.08619	65.4
97.06568	13.6
97.10201	18.3
99.08125	16.3
105.07040	60.9
107.04971	49.6
107.08598	62.1
109.06512	33.4
109.10174	53.5
111.08112	11.4
114.56881	4.4
115.05451	6.5
117.07050	18.4
119.08592	61.6
120.08949	6.4
120.91541	4.9
121.06516	43.1
121.10164	48.1
122.10526	5.9
123.04506	7.8
123.08115	22.1
123.11762	16.6
125.06032	6.5
125.09683	18.9
127.07594	8.9
129.07013	11.1
131.08582	41.0
133.06519	13.0
133.10129	53.2
135.08099	17.3
135.11736	21.6
137.06012	6.9
137.09654	22.2
139.07559	7.2
139.11227	12.5
141.07014	8.5
142.07805	5.5
143.08577	13.4
145.06549	11.7
145.10132	34.0
147.04449	5.5
147.08112	14.6
147.11734	24.9
148.11972	6.9
149.09618	22.2
149.13284	10.8
151.11201	6.0
153.09152	7.2
155.08524	10.5
156.09325	4.7
157.10159	20.6
159.08154	5.6
159.11746	38.7
160.12093	9.2
161.09697	14.4
161.13284	12.6
163.07629	7.4
163.11252	18.0
163.14777	9.8
165.09122	100.0
167.10712	6.0
169.10176	7.7
171.08095	6.5
171.11746	17.1
173.09624	13.2
173.13298	35.1
175.07622	7.9
175.11319	7.2
175.14922	12.3
177.05505	6.4
177.12816	10.3
183.11819	12.9
185.13333	21.0
187.11217	8.7
187.14876	16.3
189.11256	7.8
189.12820	11.6
189.16449	6.9
191.14305	24.9
193.12331	6.7
195.11763	7.2
195.13603	5.8
197.13313	8.9
199.11200	6.1
199.13254	6.3
199.14960	9.9
201.12718	11.0
202.16805	6.2
203.14406	20.4
205.12326	4.8
205.15945	18.8
207.13829	6.0
211.14851	6.0
213.12706	6.2
213.16478	6.1
216.60828	4.8
217.12302	5.2
219.13908	14.2
219.66628	5.1
221.15324	6.0
229.15921	7.9
231.13828	14.2
233.15430	6.9
247.17076	7.1
249.14903	11.2
273.15024	12.3
275.16458	6.8
286.66708	4.7
325.17416	5.0
349.21631	11.6
367.22687	29.0
373.23883	12.4
385.23853	37.8
403.24722	5.8
427.32593	5.2
437.30670	21.4
441.26523	8.1
445.29642	9.0
455.31967	16.9
459.27383	75.1
473.32990	39.3
491.30273	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
69.03416	0.6
69.07061	1.0
69.65887	1.8
69.66280	0.9
71.31588	0.4
73.02902	0.4
85.02871	1.0
85.06519	0.5
91.05472	2.6
95.85891	0.4
97.02899	0.6
98.20780	1.0
103.05443	0.8
105.03378	0.5
108.04469	0.6
109.06492	0.9
119.04964	3.3
120.04444	0.6
120.08130	0.8
121.08920	1.0
121.50967	0.4
122.06050	0.5
126.28226	0.5
127.03934	0.6
131.04889	0.6
132.08075	1.9
133.06432	0.5
134.06035	1.0
137.05995	4.0
140.07097	0.8
146.05974	0.8
147.04419	2.2
148.07561	1.2
150.05492	2.2
151.07532	1.7
161.05977	0.9
163.03928	1.2
163.07448	0.5
166.08620	0.7
167.07381	0.8
168.06578	1.6
174.07901	3.7
175.08698	1.4
179.06967	1.6
188.09506	0.7
192.06500	0.5
193.08655	0.6
198.09157	1.1
199.08723	2.4
200.09392	1.1
201.10226	4.0
202.11006	0.7
207.06517	0.8
208.06851	1.2
211.08678	1.7
213.10181	2.3
214.10994	1.5
215.11800	5.4
216.12537	0.9
224.09474	0.6
225.07594	0.8
225.10295	1.7
226.08633	0.6
226.10966	1.6
227.08136	1.6
227.11749	4.1
228.12428	0.8
229.09750	3.6
229.13368	3.0
238.12347	0.8
239.11813	4.2
241.09650	1.5
241.13351	0.9
242.10448	2.7
243.11267	2.0
244.12082	1.6
253.09839	1.1
253.13266	1.7
255.11325	3.8
257.12878	3.5
267.11246	1.9
269.12958	2.7
270.13513	0.9
271.14450	0.6
273.09735	0.6
273.12354	2.9
281.12878	4.6
283.10751	1.3
287.05481	3.5
287.13947	5.9
288.14731	0.9
295.10620	0.8
297.12338	2.8
298.13141	1.8
299.13928	27.7
300.14175	0.9
301.11816	0.8
313.11670	0.8
315.10648	0.5
315.13422	18.3
316.14197	62.9
317.14584	2.2
355.12811	0.8
385.14023	0.7
431.14661	2.5
463.17462	0.6
473.15659	0.7
479.72958	0.5
491.16638	100.0
492.17032	3.3
504.96448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
56.73057	2.7
69.03406	4.7
71.49020	3.3
77.00578	2.5
81.03397	3.5
81.07046	7.1
85.02897	8.8
88.96902	2.8
89.03925	4.6
90.30215	2.4
91.05447	4.3
93.07051	7.8
105.74982	3.1
107.08553	4.1
109.27761	2.6
117.03407	21.6
127.03921	2.7
131.04939	4.7
132.95847	9.9
135.11728	4.0
144.95799	2.9
145.01791	4.1
145.02855	45.5
147.04364	7.3
149.06021	7.5
151.07462	2.9
151.41570	2.8
160.98961	2.8
163.04012	3.4
174.97003	6.5
177.05479	100.0
193.47824	3.0
202.99884	3.8
217.14909	2.5
225.05730	7.5
234.99049	5.5
243.06798	4.5
267.06839	3.8
285.07880	32.6
287.05569	21.4
297.07758	8.3
313.11725	3.5
316.14240	6.8
327.08725	5.2
329.06573	6.8
339.10806	3.3
371.07904	5.1
405.12061	14.4
491.16861	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	491.1188
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03949	3.0
54.33316	0.3
55.01867	0.6
57.03433	0.4
57.75087	0.3
61.02917	0.9
67.05468	0.4
68.99779	0.8
69.03435	8.9
69.07063	0.5
70.92978	0.4
71.01347	0.5
71.04980	0.7
71.49940	0.4
71.95395	0.3
73.02902	0.7
79.05498	0.5
81.03425	11.0
81.07050	0.5
85.02907	5.0
91.05473	1.3
93.07044	0.7
95.04961	0.6
95.08562	0.4
97.02909	4.5
99.04471	2.3
105.07039	1.0
107.04964	0.7
107.08593	0.6
109.02887	7.9
109.06454	0.4
109.10144	0.4
111.00839	0.7
118.86025	0.3
119.04960	0.8
119.08599	0.9
121.02890	3.5
121.10116	0.7
123.36540	0.4
127.03928	6.1
133.02794	0.4
133.10106	0.9
135.04478	0.7
137.02400	0.7
137.05968	1.0
143.08557	0.4
145.02953	0.5
145.04932	0.9
145.06482	0.8
145.10017	0.5
147.04440	2.6
147.11713	0.4
148.07704	0.3
151.07523	1.0
153.01823	3.9
157.06548	0.4
159.11674	0.6
165.01799	2.0
167.07051	3.0
171.04279	0.4
173.05946	0.5
173.13362	0.5
177.05452	0.4
181.04944	0.7
183.02866	0.5
187.06026	5.2
201.05417	0.4
209.03648	0.4
213.05530	1.3
231.06557	0.6
235.09584	0.4
241.04985	0.7
258.05325	1.1
259.06055	0.5
287.05518	100.0
288.05856	2.1
356.94489	0.4
411.28778	0.4
417.15689	0.5
473.32520	0.7
491.18939	1.5
491.33942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.4
57.07072	4.9
59.04996	3.1
67.05509	15.9
67.54223	3.0
69.03419	3.3
69.07070	9.1
69.77242	13.6
69.77653	5.1
79.05493	17.5
81.07058	18.7
81.53028	3.2
82.07375	3.8
83.08633	6.4
91.05480	13.6
93.07072	16.7
93.30331	3.1
95.04970	4.7
95.08618	20.6
99.08131	5.4
100.38867	3.0
102.42062	3.2
105.07028	20.6
107.05022	2.8
107.08591	32.5
108.08919	4.0
109.10155	25.5
117.07030	5.5
119.08582	27.0
121.10175	20.9
123.08066	4.5
123.11723	7.2
125.05968	9.7
131.08586	18.8
133.10133	26.1
134.10461	3.6
135.08070	22.6
135.11694	10.2
137.09599	5.8
143.08534	4.6
145.10143	17.1
147.11696	20.2
149.13261	9.0
151.07497	3.6
151.11145	4.1
157.10129	5.8
159.11674	14.7
160.11980	3.3
161.09598	10.2
161.13191	13.9
163.11206	3.6
163.14841	5.8
169.10197	3.5
171.11682	5.4
173.09630	3.3
173.13263	14.2
174.13708	3.8
175.11180	13.0
175.14796	9.6
177.12729	5.7
177.16437	5.1
185.13300	5.2
187.14850	15.7
189.12749	6.1
189.16205	4.2
191.14294	6.4
199.14864	3.9
201.12744	13.1
201.16409	3.4
203.14319	10.0
205.15910	21.8
217.15921	3.1
219.13786	43.0
223.16933	9.5
341.39063	3.6
373.27350	8.9
391.30078	4.5
409.31177	8.1
413.62332	3.2
419.29001	3.1
427.31921	10.0
437.30341	15.9
445.33182	100.0
451.01953	3.1
455.31601	36.0
472.31033	5.6
473.32565	18.6
490.36993	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	491.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64952	3.2
64.97606	2.6
69.03439	7.1
71.48688	3.8
72.93758	6.0
81.03421	4.0
85.02917	8.6
90.94817	4.1
97.02946	4.0
98.97595	12.9
118.95881	3.5
119.04916	4.1
120.08121	7.4
121.08425	4.0
131.04938	7.9
132.95836	10.7
137.05943	15.6
144.95842	11.0
147.04427	11.8
152.15178	3.7
153.01863	7.0
154.94228	3.1
158.97386	22.8
162.96933	5.4
163.03885	7.7
166.08667	5.1
167.06953	3.7
168.95880	5.3
176.98495	8.4
186.96846	6.8
192.99443	4.4
194.97417	7.6
198.96849	3.6
201.12323	3.2
209.96155	4.5
216.97981	9.5
219.01820	8.5
220.99052	3.6
234.99011	37.5
236.98412	4.6
237.02766	7.0
239.00140	6.5
244.99156	3.8
248.98552	2.8
251.00031	6.6
253.00209	4.7
257.04541	3.1
265.98871	3.4
269.01196	3.3
272.98618	5.2
275.99216	3.1
277.01639	10.1
281.01050	4.5
293.01093	9.4
301.98727	5.7
317.01242	4.5
368.01901	4.5
383.04214	100.0
401.05255	5.8
413.05356	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	490.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.1
55.01872	1.0
55.05508	1.0
56.05027	1.5
60.04530	1.5
67.09497	0.7
68.05038	0.8
69.03417	3.3
70.06580	1.4
71.00748	2.0
71.04995	1.3
72.54215	0.7
79.05487	1.1
80.05006	1.2
81.03420	4.0
83.04996	1.2
84.04514	14.8
85.02898	1.3
91.05479	1.5
95.08591	0.8
96.04498	19.5
97.02888	4.2
98.06080	8.3
99.04427	1.4
105.07044	2.3
108.04479	1.0
109.02869	4.5
109.38370	0.7
111.04450	1.4
114.05499	1.0
119.08617	1.1
122.03697	1.0
126.04589	1.4
126.05529	24.1
127.03916	1.6
132.05309	0.7
133.06488	2.2
134.06844	1.0
137.05984	13.6
138.05504	100.0
139.05798	1.2
144.06573	20.6
145.02905	1.2
147.04497	1.4
149.09590	0.9
151.07552	3.3
152.07875	2.2
153.01814	2.5
153.65120	0.9
161.05997	1.2
163.03935	1.0
163.07564	1.4
166.09413	1.3
168.06577	25.3
173.13266	0.8
175.07513	0.9
177.05469	1.5
179.07042	2.0
180.07475	1.4
182.08932	0.7
186.06094	1.4
186.07634	19.8
204.08698	25.6
207.13896	1.6
251.47722	0.8
287.02353	1.1
287.05521	20.9
452.48981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.2
55.05508	20.7
57.07076	5.6
64.33272	3.5
67.05509	25.3
68.05033	3.0
69.03439	4.8
69.07075	27.1
69.38649	22.2
71.04986	4.5
79.05508	30.6
81.07061	49.2
83.05002	7.9
83.08601	17.7
89.88955	3.1
91.05485	26.5
93.07045	56.9
95.04973	11.9
95.08618	69.6
97.06534	7.8
99.08099	6.8
105.07041	67.9
107.08598	74.1
109.06516	8.4
109.10165	42.8
111.08109	15.0
115.05483	4.4
117.07040	10.6
119.04948	4.4
119.08591	100.0
121.06533	13.9
121.09323	6.3
121.10153	69.2
123.08081	8.5
123.10916	3.2
123.11711	17.1
125.09705	3.7
127.07610	4.3
129.07008	6.2
131.08569	35.2
133.10136	85.4
135.08098	11.7
135.11681	32.8
137.06015	20.5
137.09668	7.8
137.13339	3.6
139.07526	5.2
139.11214	4.7
142.07802	5.1
143.08565	14.5
144.09329	3.3
145.08578	7.8
145.10143	47.2
147.04442	19.5
147.08035	7.0
147.11707	56.8
149.09630	9.3
149.13304	18.7
151.03978	3.2
151.07549	8.2
153.09090	4.7
157.10147	23.2
159.11714	31.4
161.09636	12.6
161.13261	27.6
163.11218	9.6
163.14859	25.3
165.09134	16.6
165.12796	3.0
167.07117	3.9
167.10693	12.1
169.10245	3.4
171.11694	18.2
173.13261	63.3
175.07510	3.8
175.11205	9.7
175.14839	29.5
177.12741	7.8
177.16423	8.2
181.04906	3.8
183.11728	7.5
185.13275	23.1
187.14841	45.1
188.15273	3.9
189.12714	9.8
189.16422	23.6
191.14316	30.6
191.17978	9.1
193.12270	9.5
197.13356	7.1
199.11189	3.6
199.14882	20.7
201.16402	14.0
203.14322	27.4
203.17973	95.5
205.15860	17.0
213.16338	16.2
215.18024	8.5
217.15941	11.7
219.17560	3.5
221.15398	42.5
221.18927	6.5
223.16853	7.5
231.17493	16.9
231.20976	3.9
233.25375	3.0
235.17035	8.7
239.17859	3.1
249.18529	55.0
277.19205	3.1
389.32111	5.3
395.33386	7.8
407.33032	18.8
418.14182	4.1
423.32785	17.4
425.34164	39.7
435.32599	12.5
441.33578	7.6
453.33911	34.9
471.35254	38.9
489.18512	9.4
489.31192	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	489.3578
Annotation	Uncargenin C
Peak:m/z	Relative Intensity
53.03969	6.9
55.05510	24.7
57.07068	8.2
67.05511	33.7
67.99890	5.9
69.07071	24.6
69.62319	41.2
75.37392	5.4
79.05502	38.7
81.07068	42.2
83.08612	18.7
91.05477	32.1
93.07059	66.7
95.08625	63.7
99.08105	11.2
105.07039	62.6
107.07970	10.7
107.08611	100.0
109.10172	77.6
110.12778	7.0
117.07060	16.2
119.08594	81.7
121.06405	6.6
121.10167	64.9
123.08048	8.5
123.11724	27.3
125.06035	7.4
125.09616	10.9
128.69371	5.8
129.06967	7.0
131.08546	42.1
133.10138	82.1
135.08104	6.9
135.11693	57.0
137.05928	6.1
137.13321	7.9
142.07788	8.7
143.08614	15.5
145.10133	57.6
147.11673	67.5
149.09561	7.9
149.13312	29.9
157.10121	28.0
159.11720	62.7
161.13242	31.3
163.11165	11.6
163.14861	43.1
170.10979	10.5
171.11739	30.1
173.13269	37.7
175.14847	25.0
177.12735	26.1
177.16428	11.5
183.11665	10.6
185.13310	30.7
187.14871	49.0
189.16370	26.7
191.14314	11.1
195.13811	24.2
197.13263	9.8
199.14819	24.7
201.16400	46.5
203.17958	17.2
205.15909	38.5
207.17506	10.3
209.13319	8.6
211.14850	8.4
213.16380	22.3
215.17932	11.8
221.15311	9.9
223.16954	14.3
225.16336	10.8
231.17506	11.2
245.19075	8.9
249.18599	9.1
253.19536	13.5
255.21078	17.3
265.19327	7.9
269.22528	9.7
283.20572	25.8
301.21722	15.4
315.23254	9.6
355.26239	10.4
360.55612	6.8
407.33240	69.7
425.34094	33.0
435.32590	45.2
443.35226	16.7
453.33691	70.4
471.34827	30.7
489.17368	8.8
489.36066	17.6
498.54031	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	489.3578
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
51.24102	0.8
55.05507	2.9
57.03436	1.3
57.07085	1.0
58.68031	0.8
67.05518	4.8
69.07076	4.9
69.55143	1.6
69.55552	3.4
75.83769	0.7
79.05509	4.1
81.07059	8.1
83.08615	2.1
91.05490	2.9
93.07043	9.1
95.08611	13.3
97.06523	1.4
97.10193	1.0
98.20838	0.9
101.94576	0.7
105.07027	8.4
107.08604	15.7
109.06519	1.9
109.10180	10.1
117.07023	1.9
119.07819	1.2
119.08595	13.3
121.06489	1.0
121.10159	12.0
123.08087	5.0
123.11701	4.0
125.09545	0.9
129.07001	1.1
131.08559	6.7
133.10149	8.7
135.08069	2.8
135.11690	6.1
137.09660	0.9
137.13251	0.8
143.08553	2.0
145.10109	11.5
147.11707	11.9
149.09622	1.2
149.13277	5.0
151.11169	1.0
157.10127	2.6
159.11691	6.8
161.13310	5.4
163.11201	1.6
163.14813	5.5
165.12775	1.2
169.29626	0.8
171.11653	2.4
172.98357	0.8
173.13284	4.3
175.14819	4.4
177.12776	1.0
177.16389	6.6
179.12059	0.8
185.13257	2.5
187.14833	12.7
189.16411	5.1
199.14861	1.8
200.79132	0.8
201.16403	20.9
203.14462	0.9
203.17914	4.6
205.15892	18.5
211.14804	0.7
213.16350	2.6
215.17970	2.6
217.15898	0.8
219.17465	2.4
223.16936	5.1
227.17979	2.0
229.15909	0.9
229.19536	1.7
234.53232	0.8
235.16832	1.0
241.19592	1.5
243.21140	1.4
247.16963	5.9
249.18552	1.3
255.21162	4.1
257.22513	1.8
269.22632	1.9
289.21283	0.8
301.21735	1.9
303.23303	2.2
315.23135	1.3
335.25671	1.2
341.25403	0.8
347.25836	7.9
373.27368	4.5
389.32022	1.4
407.33029	3.3
425.34308	5.8
435.32465	2.9
443.35239	100.0
444.35434	3.5
453.33514	1.8
471.34586	1.8
487.31265	0.8
489.36163	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	489.3579
Annotation	Tormentic acid
Peak:m/z	Relative Intensity
51.10793	1.6
55.05510	5.7
57.03432	2.0
57.07077	2.1
57.62050	1.8
59.05002	1.7
64.02690	1.6
67.05511	18.0
69.07063	6.5
77.32130	1.7
79.05500	9.8
79.05875	1.6
79.85584	1.7
81.07054	18.1
83.08609	8.2
90.64401	2.0
91.05489	11.1
93.07049	17.0
95.04964	2.9
95.08602	22.7
97.10189	2.5
98.21561	3.8
99.08107	4.3
105.07030	14.0
107.08599	23.4
109.06570	4.5
109.10167	21.1
111.08067	2.0
117.07062	4.4
119.08611	20.9
121.06527	4.3
121.10155	17.3
123.08063	10.0
123.11720	4.7
131.08598	12.5
133.10135	13.3
135.08032	5.8
135.11710	9.4
137.09659	3.2
137.13268	2.1
143.08589	3.6
145.10156	14.6
147.11687	15.4
149.09563	3.5
149.13264	5.3
151.11134	2.1
157.10197	4.1
159.11700	10.2
161.13266	8.1
163.11156	2.3
163.14761	4.5
169.10136	1.8
171.11659	3.8
173.09569	2.1
173.13261	7.3
175.14845	5.7
177.16391	5.1
183.11685	2.7
185.13251	4.7
187.14833	27.1
189.16434	5.9
195.13831	2.0
197.13312	2.8
199.14876	3.1
201.16412	13.2
203.14264	2.2
203.17973	2.0
205.15884	24.6
213.16428	2.1
215.17847	2.6
223.16982	3.3
347.25821	17.5
373.27347	5.4
407.33145	4.3
425.34058	6.4
435.33047	2.6
443.35297	100.0
444.35602	3.8
453.33911	2.4
454.30588	2.0
471.30737	3.5
489.35510	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	489.3575
Annotation	Uncargenin C
Peak:m/z	Relative Intensity
55.05509	27.5
57.07089	8.6
57.08738	7.1
67.05500	31.5
69.07067	25.9
69.39420	32.8
69.39828	14.8
79.05494	27.3
80.87579	6.0
80.97717	6.0
81.07058	58.0
83.08628	28.2
91.05484	28.2
93.07050	72.0
95.08612	75.8
99.08112	10.0
105.07034	76.6
107.08595	100.0
109.10171	83.8
111.08131	7.9
112.10663	5.5
115.82197	6.1
117.07051	13.2
119.08590	86.3
121.10149	73.8
123.08054	13.5
123.11733	25.9
129.06992	15.1
131.08582	37.1
133.10138	87.5
135.11678	53.6
137.13217	7.2
143.08589	21.4
145.10126	47.2
147.11708	62.4
149.09599	6.0
149.13257	27.7
151.11159	9.9
155.08693	8.8
156.09366	9.1
157.10139	36.4
159.11708	76.4
161.09659	6.8
161.13272	23.8
163.14821	43.3
169.10147	11.0
170.10916	11.3
171.11690	38.9
173.13326	37.8
175.14848	25.1
177.12778	35.6
177.16383	9.7
183.11728	24.6
185.13307	51.9
187.14841	42.3
189.16458	33.9
195.13861	34.2
197.13242	9.2
199.14922	24.8
201.16437	31.0
203.14307	15.1
203.18011	22.4
205.15936	15.3
209.15329	12.6
211.14880	11.1
213.16446	18.6
215.14427	11.5
215.18095	10.9
217.15952	8.1
221.15369	8.3
223.16963	8.3
227.17931	8.5
229.19725	8.8
231.17574	8.1
235.16901	8.7
239.18007	8.3
241.19557	12.2
243.21178	14.6
249.18547	13.3
255.21095	19.4
257.22736	10.1
269.22574	11.9
273.22232	6.7
275.20117	8.2
283.20560	25.6
299.20349	8.9
301.21667	25.4
303.23325	9.6
309.22018	12.0
315.23019	9.5
355.26340	17.7
386.09747	6.4
389.32156	13.2
407.33188	69.1
425.34155	22.8
435.32660	61.4
443.35211	14.5
453.33746	97.2
471.35022	33.2
489.35632	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	489.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49476	5.1
55.05519	29.4
57.07087	6.7
67.05505	17.0
68.49841	5.7
69.07072	31.6
69.42529	43.5
79.05498	30.2
81.07053	47.4
83.04954	7.3
83.08623	28.0
91.05475	31.4
93.07061	71.9
95.08614	58.3
97.06499	6.6
98.20799	11.4
99.08101	16.9
105.07043	59.6
107.08608	81.1
109.06547	9.8
109.10160	74.8
117.07000	12.6
119.07823	8.1
119.08593	100.0
121.10147	72.7
123.11726	22.3
125.05964	5.8
125.09648	8.7
129.06993	6.5
131.08572	40.5
131.09387	7.0
133.10143	68.8
135.08023	11.8
135.11694	47.7
137.09647	6.7
137.13350	6.9
143.08586	12.2
145.10129	58.8
146.82945	6.7
147.11696	89.0
149.09630	11.8
149.13264	19.2
151.11168	10.0
153.09161	5.4
156.09309	8.0
157.10146	26.8
159.11711	58.0
161.09705	6.5
161.13298	29.2
163.11137	12.2
163.14847	30.1
168.86426	5.1
169.10114	13.4
170.10973	12.8
171.11763	39.2
173.13264	35.9
175.14775	18.1
177.12737	23.7
177.16330	17.8
183.11708	17.1
185.13248	36.2
187.14822	52.1
189.16397	19.8
191.14334	7.3
195.11807	4.9
195.13824	29.7
197.13298	9.7
199.14810	22.4
201.16389	75.3
203.14334	13.0
203.18024	10.2
204.98076	6.6
205.12103	5.8
205.15877	61.2
207.17480	11.8
209.13249	8.5
211.14650	6.8
213.16351	19.1
215.17841	8.5
217.12247	5.9
217.15930	6.4
219.17413	11.6
223.16959	12.8
225.16359	6.1
227.17917	12.7
231.17493	7.3
237.16342	7.9
237.44545	5.7
243.21123	7.8
245.18973	6.1
249.18571	10.3
251.18092	6.3
255.21120	16.0
257.22699	7.6
283.20538	13.9
301.21616	18.5
301.64893	5.3
303.23068	5.7
337.25381	7.9
355.26306	10.9
366.57751	5.7
407.33163	59.6
425.34540	28.8
435.32666	20.1
443.35120	13.4
453.33908	48.6
471.34772	21.0
489.36118	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	489.358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39122	5.0
55.05495	15.5
57.03439	6.4
60.87089	5.5
67.05500	21.0
69.07061	24.6
70.70014	12.9
77.17854	5.4
79.05477	23.2
81.07058	42.5
83.04964	6.0
83.08614	7.9
91.05482	20.4
93.07046	38.6
95.04959	6.1
95.08611	54.7
97.06518	10.4
99.08126	12.1
105.07039	49.3
107.08604	66.0
109.06517	11.9
109.10178	39.2
111.08051	6.1
117.07010	11.0
119.08597	76.1
121.10155	59.4
123.11710	17.8
127.07525	7.9
129.07031	7.4
131.08563	33.5
133.10127	54.6
135.08075	12.0
135.11722	19.4
137.05945	6.7
137.09572	8.6
137.13342	6.2
143.08595	12.6
145.10139	58.6
146.24052	5.2
147.11665	38.3
149.02344	14.8
149.09621	6.6
149.13264	17.9
154.38759	5.1
157.10106	18.4
159.11693	50.5
161.13289	24.5
163.11229	15.6
163.14822	22.6
165.12932	5.3
167.07063	10.4
169.10115	9.3
171.11696	8.4
172.12413	4.8
173.09773	7.6
173.13240	30.4
175.11217	10.9
175.14789	24.4
177.12798	13.7
177.16362	23.8
181.04993	6.1
183.11646	10.5
185.13225	15.4
187.14882	65.4
189.12801	7.3
189.16432	30.7
191.14323	21.0
191.17981	10.3
195.13631	7.2
199.14786	7.2
201.12767	8.1
201.16408	100.0
203.14340	10.3
203.17976	29.8
205.15901	87.6
207.17424	10.6
211.14919	8.7
213.16388	11.8
217.12259	56.4
217.16042	6.3
219.17477	14.1
223.16858	25.4
231.13824	7.5
233.15446	6.1
235.16940	6.4
245.19170	6.2
247.16989	17.1
254.54962	5.0
310.28687	5.6
337.50143	5.9
389.31854	9.5
407.33231	46.3
425.33932	23.8
453.29468	15.6
453.34625	9.6
471.30939	28.3
489.31671	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	489.3578
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
55.05507	2.0
67.05510	4.3
69.07065	3.0
69.47118	7.9
79.05500	2.8
81.07063	11.2
83.08618	3.9
91.05501	5.3
93.07052	10.6
95.08625	14.1
105.07037	10.0
107.08593	15.7
109.06520	2.7
109.10165	11.2
111.08024	1.2
117.07028	1.7
119.01642	1.2
119.08596	14.0
121.06530	1.0
121.10136	12.0
123.08082	3.6
123.11708	3.8
131.08574	5.5
133.10129	12.8
135.08057	3.3
135.09656	1.2
135.11688	6.5
143.08559	1.6
145.10141	13.9
147.11705	11.3
149.09654	1.9
149.13272	5.7
151.11189	2.2
151.14923	1.1
157.10188	3.0
159.11751	8.3
161.13264	5.7
163.11194	1.4
163.14838	6.5
164.41974	1.0
171.11696	2.5
173.13287	4.8
175.14841	3.5
177.12794	1.1
177.16397	6.0
183.11748	1.2
184.12721	1.1
185.13228	1.9
187.14825	12.3
189.16396	4.9
192.03944	1.0
199.14857	2.2
201.16388	19.9
203.14281	1.6
203.17982	6.2
205.15884	21.1
213.16270	2.4
215.18001	3.1
219.17465	2.2
223.16927	7.1
227.18051	1.3
235.16937	2.0
241.19539	2.2
243.21120	2.1
247.17026	6.1
255.21136	5.4
257.22531	2.0
269.22626	2.1
292.67960	1.2
301.17227	1.0
301.21436	2.2
303.23236	1.9
315.23245	1.1
335.25940	1.2
347.26016	5.6
373.27530	5.1
389.31921	1.2
407.33185	5.9
425.34344	6.3
435.32663	2.7
443.35263	100.0
444.35321	2.3
453.33331	2.2
471.34735	1.6
489.35583	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	489.3578
Annotation	Arjunic acid
Peak:m/z	Relative Intensity
52.10898	10.6
52.36892	10.4
55.05507	12.7
60.04785	10.0
65.46485	10.6
67.05502	23.1
69.07076	20.9
69.52998	61.8
79.05492	35.5
81.07054	45.3
83.08627	17.2
91.05492	27.9
93.07044	59.6
95.08618	65.4
99.08071	14.7
105.07038	40.6
107.08609	78.6
109.10162	53.0
117.06979	11.4
119.08599	79.9
121.10148	75.2
123.11664	16.8
124.30315	9.4
131.08595	47.3
133.10153	60.3
135.11690	38.3
137.13260	10.1
143.08612	13.2
145.10107	73.2
147.11700	89.2
149.13283	22.0
157.10149	26.1
159.11720	55.0
161.13272	22.2
161.50247	9.6
163.11230	25.0
163.14828	25.6
171.11743	22.7
173.13275	23.5
175.14856	28.0
177.12697	13.6
177.16443	20.9
185.13290	22.6
187.14832	72.2
189.16422	39.4
195.13812	15.9
201.16461	100.0
205.15929	99.8
207.17505	21.2
213.16370	19.2
215.17949	20.9
263.04926	9.8
341.29144	11.3
342.14008	10.9
373.09003	12.7
407.33136	60.7
425.34183	27.2
435.32782	27.5
453.33640	62.4
471.34476	11.6
489.35870	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	489.3577
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05504	1.2
58.91961	1.0
63.65899	1.0
67.05503	2.3
69.07052	2.7
69.25300	9.0
70.76757	0.9
79.05476	1.7
81.07067	7.9
83.08627	1.4
90.42670	0.9
93.07055	5.4
95.08621	10.8
100.56602	0.9
105.07033	4.1
107.08595	10.2
109.06523	1.5
109.10158	7.2
116.17900	1.0
117.06969	1.4
118.82326	0.9
119.08578	7.0
121.10146	10.3
123.08044	1.3
123.11742	1.9
131.08562	4.3
133.10159	6.5
135.08057	2.4
135.11685	3.8
145.10165	8.1
147.11725	9.2
149.13271	7.9
159.11699	4.2
161.13257	3.0
163.11226	1.0
163.14853	6.8
171.11777	1.2
173.13263	2.7
175.14824	2.6
177.12790	1.2
177.16441	6.6
185.13258	1.0
187.14848	14.3
189.16423	1.9
191.14238	1.0
201.16389	3.4
203.44057	1.2
205.15901	39.3
213.16254	1.4
215.17924	2.5
219.17432	1.8
223.16933	4.0
255.21048	2.2
269.22571	1.5
425.34009	5.2
425.39233	1.2
443.35257	100.0
444.35986	2.2
513.36530	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97441	7.0
55.05508	18.4
59.18673	6.6
66.19431	6.8
67.05503	14.8
69.07060	19.3
70.62926	7.3
70.63275	21.0
79.05492	13.5
81.07042	19.0
91.05478	27.7
93.07071	46.1
95.08618	59.2
97.06721	7.1
99.08066	21.1
105.07049	51.8
107.08607	59.6
109.10145	26.0
111.08138	8.4
119.08596	100.0
121.10165	50.9
123.11715	10.7
131.08594	53.6
133.10129	50.0
135.08051	14.1
135.11681	42.4
137.09616	8.7
143.08572	10.3
145.10150	53.8
147.11711	83.6
147.49335	8.2
149.13190	13.8
157.10126	17.5
157.44685	7.0
158.10799	10.2
159.11723	42.2
161.13260	15.9
163.11134	11.6
163.14883	14.2
171.11700	16.3
173.13280	26.2
175.14819	22.2
177.16376	29.6
187.14803	46.8
189.16412	42.6
201.16411	95.1
203.17946	11.0
205.15903	95.1
207.17490	23.6
213.16316	9.5
219.17389	23.0
223.16962	10.1
247.16823	11.4
259.16476	9.2
407.33228	55.1
425.34030	50.7
443.35019	12.2
453.33786	16.9
489.31726	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	489.3574
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
52.54903	10.6
52.96139	8.0
55.05502	12.3
62.00821	8.3
69.07088	9.3
70.67667	18.4
70.68022	15.8
77.42641	8.3
79.05495	13.5
81.07053	23.0
86.24864	10.5
91.05482	17.4
93.07047	36.2
95.08611	38.0
99.08104	11.6
105.07040	35.4
107.08609	48.9
109.10162	21.4
119.08604	65.9
121.10144	23.7
131.08565	31.6
133.10155	48.7
135.11719	22.6
145.10114	44.5
147.11685	78.0
149.13234	10.5
157.10146	10.0
158.98512	8.7
159.11716	38.6
161.13237	11.7
163.11235	12.7
167.07484	8.2
173.13292	15.7
175.14845	14.0
177.16364	27.3
187.14789	48.7
189.16374	18.3
199.14751	12.5
201.16393	100.0
203.18001	11.8
205.15892	79.3
207.17419	14.2
213.16478	10.4
215.17970	8.6
284.89160	9.9
360.50244	9.3
407.33084	37.4
425.34164	24.9
453.33429	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Uncargenin C
Peak:m/z	Relative Intensity
53.45824	7.0
53.61317	7.9
55.05503	33.6
57.02705	7.8
57.07082	8.5
62.88646	8.3
67.05503	28.2
69.07073	20.5
69.41527	20.1
69.41931	38.2
74.66537	8.4
79.05482	15.2
81.07066	47.2
83.04977	7.4
83.08628	33.3
87.31985	9.1
91.05483	36.5
93.07031	74.8
95.08615	68.5
98.20709	14.0
105.07014	46.2
107.08599	100.0
108.33324	8.8
109.10162	79.1
109.85804	7.8
111.14233	6.8
117.07018	15.1
119.08590	78.0
121.06503	10.3
121.10170	68.3
123.08087	8.0
123.11703	18.8
125.41494	8.4
129.07027	9.8
131.08562	29.2
133.10139	95.8
135.11694	39.3
137.09583	9.9
139.11296	9.9
143.08549	19.2
145.10103	52.4
147.11700	68.2
149.13246	35.9
151.11229	14.8
157.10143	27.9
159.11737	72.9
161.13245	29.6
163.14853	42.1
169.10164	8.7
171.11684	34.1
173.13237	53.3
175.14845	19.5
177.12822	24.2
179.84280	9.2
183.11667	18.7
185.13237	52.1
187.14847	29.6
189.16414	34.4
195.13817	39.0
195.30563	8.5
197.13310	14.9
199.14824	34.2
201.16400	31.7
203.17970	15.8
205.15907	38.7
209.15306	9.6
211.15031	10.3
213.16388	17.4
223.16954	11.9
227.17934	12.7
235.43680	7.9
241.19507	10.2
253.19662	11.3
255.21156	24.1
257.22586	13.4
271.20370	8.7
283.20578	13.3
299.20084	12.7
301.21689	35.9
304.56711	8.2
315.23273	14.2
346.13669	9.2
348.95508	10.7
355.26447	11.5
389.32016	17.0
407.33136	65.6
417.31625	8.9
425.34045	28.7
435.32819	56.8
443.35159	10.7
453.33609	85.7
471.34714	18.4
489.35419	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Uncargenin C
Peak:m/z	Relative Intensity
51.99247	10.0
55.05503	32.3
56.72319	9.4
56.98784	8.8
65.03930	11.0
66.28164	9.8
67.05502	37.0
69.07059	21.5
69.50364	74.6
79.05494	24.2
81.07063	57.8
83.08609	19.0
91.05489	32.6
93.07047	49.5
94.14960	10.5
95.08623	75.7
105.07041	62.2
107.08604	85.6
109.06586	10.4
109.10175	82.3
111.08071	12.2
117.07011	12.0
119.08573	100.0
121.10144	72.9
123.11681	23.0
130.35873	8.1
131.08553	39.9
133.10155	73.2
135.08054	13.0
135.11674	50.7
137.09555	10.5
143.08588	17.8
145.10162	52.8
147.11673	82.9
149.13275	32.9
151.11163	11.7
157.10127	30.6
159.11711	65.4
161.13280	28.5
163.11218	13.1
163.14845	35.0
170.10938	11.4
171.11722	39.8
173.13280	40.2
175.14832	19.5
177.12810	11.6
177.16405	23.8
183.11697	18.8
185.13245	33.0
187.14861	53.8
189.16383	29.2
195.13770	25.8
199.14905	15.6
201.16354	75.0
203.14255	16.0
203.17867	11.9
205.15894	58.1
207.17570	14.3
213.16397	15.4
217.15871	11.1
223.17007	34.8
227.17883	12.0
255.21133	22.9
257.22458	9.6
283.20551	13.3
301.21658	12.0
389.31763	15.1
407.33072	60.5
425.34061	33.8
435.32608	23.0
453.33990	49.8
471.34637	36.0
489.36737	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	489.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84028	0.8
53.03944	1.3
55.01886	0.9
55.05516	1.8
57.03431	1.1
65.03910	0.8
65.87326	0.8
65.95373	0.8
67.05505	0.9
69.03426	2.9
69.67165	5.6
71.04994	2.2
72.83567	0.9
79.05494	3.8
81.07051	1.1
83.04978	8.5
84.04501	1.2
85.02921	4.0
91.05476	5.1
94.04201	3.0
95.04964	1.4
96.04551	0.9
97.06568	0.9
98.20744	0.9
102.50965	0.9
103.05476	5.5
105.07039	14.3
107.04946	2.0
111.04439	8.5
115.05485	1.6
117.07013	1.7
119.04973	4.2
119.08640	0.9
122.03661	7.8
128.06218	1.7
129.07034	0.9
131.04910	6.5
131.08571	1.1
133.06499	19.4
133.10144	0.8
135.08041	0.8
136.05193	1.1
137.05989	100.0
138.05499	6.1
143.08563	1.0
145.06500	1.7
145.10138	1.0
147.04399	5.4
147.08075	1.0
149.06021	2.8
151.07555	29.0
153.17749	0.8
155.08592	1.0
159.08134	1.6
160.05244	1.0
161.05981	2.7
163.07545	6.6
165.06989	1.5
165.09126	8.5
171.04451	0.9
171.06512	3.4
171.08075	2.5
173.06145	0.9
174.06715	1.3
175.07553	6.1
177.05476	2.4
177.09125	3.0
179.07063	16.0
179.10606	1.1
183.08113	2.9
187.07538	3.1
189.09094	2.8
191.07027	3.1
191.10713	0.9
193.08662	1.6
195.10164	1.1
197.09734	1.0
199.07550	2.5
201.09151	2.0
203.07069	2.4
203.10742	1.4
204.08672	1.2
213.09019	1.1
215.10811	1.4
217.08589	2.1
219.10196	2.1
229.08580	1.0
231.10106	1.3
247.09598	1.1
248.08286	1.4
249.11261	3.6
257.11844	1.2
275.12869	6.2
287.05554	1.1
291.10114	1.4
293.13818	1.2
307.11826	3.8
309.11105	4.3
317.12534	0.9
325.14380	1.0
337.85568	0.9
341.13843	3.1
343.15506	1.1
489.20880	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.05508	13.2
57.03444	13.1
57.07065	4.4
58.84748	2.2
64.51591	2.5
67.05508	64.1
69.03414	2.2
69.07072	16.1
69.60950	13.4
71.04996	2.1
79.05496	43.6
81.06605	3.8
81.07059	64.6
82.07413	3.4
83.05004	3.8
83.08593	10.2
85.06551	3.2
91.05475	24.0
93.06488	4.2
93.07045	51.8
95.08609	54.6
97.06524	6.7
97.10162	3.9
98.98470	77.4
99.08083	8.7
105.07042	31.5
107.08599	40.0
109.10160	38.9
111.08064	3.5
112.29152	2.2
117.03362	2.2
117.06998	10.0
119.08588	29.3
119.97613	2.2
121.10145	35.7
123.08067	3.5
123.11696	11.4
129.06995	3.8
131.08569	22.9
133.10155	22.8
135.08006	4.4
135.11711	23.0
136.99969	5.1
137.09598	2.7
137.13260	4.6
145.10144	22.5
147.08043	5.4
147.11720	19.0
149.13260	17.6
149.72443	2.3
151.11238	3.3
155.01045	61.4
157.10121	4.8
157.61208	2.3
159.11674	17.7
161.13274	10.5
163.11162	3.8
163.14799	7.4
169.10172	3.2
170.10854	3.2
171.11707	6.7
173.09624	3.1
173.13261	15.7
175.14769	10.6
177.05551	3.9
177.12828	5.0
177.16393	5.1
181.10217	3.2
183.11673	4.1
185.13274	4.5
187.11235	3.2
187.14870	11.1
189.12717	2.9
189.16412	4.6
199.14824	4.7
201.12735	7.8
201.16373	5.9
205.15846	5.2
211.03581	4.3
215.14186	2.9
217.12210	2.8
219.13818	2.5
227.14380	2.5
229.04749	7.9
243.21155	20.7
247.12912	2.5
261.22141	35.0
317.24701	15.8
335.25806	100.0
415.22293	3.3
422.56482	2.5
425.30023	2.9
435.28665	5.3
441.30203	4.5
443.35196	5.2
453.29895	12.0
471.24905	13.8
471.31009	27.7
474.33527	2.5
489.31375	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3425
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
53.03953	6.7
55.01883	5.9
55.05518	25.4
57.07070	5.2
65.03934	4.9
67.05508	23.6
69.03429	7.1
69.07063	16.5
69.17199	12.8
69.17612	30.2
71.05027	4.3
79.05507	27.4
81.07070	45.9
83.04969	6.7
83.08617	17.4
87.08213	4.0
91.05495	45.2
93.07043	62.4
95.04991	9.2
95.08614	60.4
97.06555	14.7
97.10164	4.9
97.38913	3.6
98.21556	9.4
99.08098	7.2
103.05470	5.0
105.07037	75.0
107.04977	7.1
107.07891	4.8
107.08601	77.0
109.06519	16.3
109.10171	31.5
111.04512	5.8
111.08099	6.6
117.07029	13.2
119.04976	9.8
119.08596	100.0
121.06506	11.1
121.10143	42.0
123.08110	8.7
123.11722	9.9
125.05994	4.6
125.09632	11.1
129.07011	10.1
131.04909	5.3
131.08582	42.6
133.06519	5.1
133.10138	70.1
135.08061	13.7
135.11707	21.2
137.05998	31.3
137.09587	9.8
139.11206	6.7
141.09164	5.7
142.07773	7.6
143.08551	23.4
145.10132	69.9
147.04430	10.4
147.08041	10.3
147.11703	67.0
149.09663	13.2
149.13240	19.7
151.07573	8.3
151.11179	4.4
153.09053	6.5
155.08580	6.5
156.09337	5.8
157.10124	34.9
158.10945	4.7
159.11716	49.9
161.09637	23.5
161.13284	21.7
163.03944	14.9
163.11205	16.4
163.14806	31.1
165.09160	7.2
165.12834	5.8
167.10712	6.4
169.10109	12.1
171.11723	32.3
173.09644	6.6
173.13284	35.4
175.11226	13.8
175.14876	23.2
177.05499	7.4
177.12703	7.6
179.10698	6.6
181.10240	4.6
183.11687	17.4
185.13263	29.2
187.07584	10.6
187.11235	9.1
187.14810	38.6
189.12762	14.8
189.16417	24.8
191.10750	4.8
191.14310	22.0
193.12225	8.5
195.11676	8.8
197.13301	17.9
199.14836	23.3
201.12744	8.0
201.16388	43.5
203.14323	18.3
203.17934	14.4
205.15891	13.1
209.13286	6.2
211.14853	10.6
213.16403	12.2
215.10802	4.5
215.14333	8.9
215.18008	4.7
217.15855	9.8
217.19479	4.6
219.13922	6.9
219.17529	12.8
221.13498	5.7
221.15303	23.2
223.14944	6.7
225.16432	8.1
227.17986	5.5
229.15961	8.6
229.19492	7.3
231.13992	5.3
231.17389	4.1
235.17064	8.2
237.16403	9.5
239.18051	5.6
243.21114	5.2
253.19492	5.3
255.21136	7.3
257.18976	5.1
267.21133	4.6
281.18967	4.6
299.20145	10.9
301.21796	4.8
303.23203	5.3
307.23990	4.3
315.23361	5.4
321.25848	6.1
387.30573	11.7
393.31479	10.2
405.31635	20.2
411.32791	8.9
421.31000	13.5
423.32751	45.7
433.31097	18.8
439.32175	21.3
441.33722	13.8
451.32388	30.6
469.33612	26.2
487.15958	6.2
487.30154	12.0
487.34030	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	487.342
Annotation	Euscaphic Acid C
Peak:m/z	Relative Intensity
52.25398	6.0
55.05514	9.0
67.05500	8.3
69.07062	17.7
69.39103	50.2
69.39499	12.1
79.05479	18.3
81.07076	31.0
91.05489	26.8
93.07069	51.7
95.08606	47.5
99.08121	30.6
105.07037	40.8
107.08601	100.0
109.10156	52.3
117.07056	15.8
119.08597	73.8
121.10136	38.1
123.08113	9.3
123.11675	9.8
129.06938	7.7
131.08556	34.0
133.10144	67.8
135.08145	7.1
135.11700	29.1
142.07851	6.2
143.08578	18.2
145.10124	56.4
147.11696	93.2
149.13306	15.6
151.11290	8.0
153.12773	10.9
155.08646	7.1
156.09380	9.2
157.10159	26.6
159.11726	50.5
161.09570	8.5
161.13266	27.7
169.10078	9.2
171.11723	37.8
173.13281	43.0
175.14825	14.8
177.12738	16.3
183.11728	18.6
185.13252	32.5
187.14789	47.2
189.16513	8.3
191.14342	13.7
195.11804	8.0
195.13783	18.6
197.13242	18.4
199.14819	45.4
201.16405	39.8
203.14291	13.0
205.15926	30.6
211.14873	9.6
213.16429	28.0
215.14406	9.1
217.15906	6.4
223.17035	9.9
227.18005	11.7
231.17372	6.8
237.16214	6.5
239.17879	6.9
253.19592	15.8
259.20474	7.0
283.20587	82.8
285.22232	9.5
301.21655	14.7
333.25671	7.4
351.26886	13.9
369.27939	12.5
405.31622	36.9
423.32654	62.0
441.33585	79.5
451.32007	29.5
469.33588	34.0
487.34610	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25465	3.8
53.03967	3.9
55.05502	13.0
57.07083	5.6
67.05491	15.1
69.03403	4.6
69.07059	16.3
71.16804	6.7
74.49419	3.6
79.05494	21.6
81.07062	29.3
83.08588	8.4
86.43560	3.4
91.05486	25.4
91.54605	3.5
93.07063	50.5
95.04969	7.1
95.08615	40.5
97.06551	7.4
99.08109	21.0
101.27644	3.6
105.07046	78.4
105.38766	4.1
107.08613	60.8
109.06490	7.6
109.10162	19.3
111.08067	6.0
115.51388	3.5
117.07019	10.9
119.08595	100.0
121.06498	7.9
121.10157	33.6
123.08079	7.3
123.11676	5.4
129.07040	4.7
131.08574	57.4
133.10149	64.0
135.08028	7.5
135.11699	27.2
135.48854	3.8
137.09621	7.0
139.11296	4.5
143.08568	18.9
144.09370	4.7
145.10138	52.9
147.08023	6.2
147.11699	94.5
148.38602	3.8
149.09624	9.1
149.13216	12.6
156.09273	5.0
157.10150	20.8
159.08134	3.9
159.11713	48.7
161.09625	13.6
161.13257	22.5
163.03951	8.7
163.11212	10.5
163.14835	15.2
169.10179	4.3
170.10878	5.3
171.11678	20.1
173.13245	53.3
175.11188	7.4
175.14810	32.5
177.12732	8.6
177.16406	11.7
183.11697	9.7
185.13290	21.0
187.14841	66.1
188.60658	3.6
189.12801	5.7
189.16379	19.7
191.14323	15.9
193.15891	6.3
197.13321	6.4
199.14822	22.1
201.12596	6.0
201.16405	95.0
203.14299	21.5
203.18034	8.2
203.39313	4.1
205.15971	22.6
211.14810	5.1
213.16463	10.1
215.17908	3.7
217.15900	9.4
219.17458	24.6
221.13368	6.3
221.15385	53.7
223.14914	5.2
235.17017	8.6
243.17493	5.5
247.17023	4.1
299.19916	5.1
369.28128	7.2
387.30344	7.5
393.31116	10.7
405.31790	21.1
411.32709	8.8
419.81253	4.1
421.31003	5.8
423.32678	38.9
433.30927	5.8
439.32025	10.8
441.34009	18.5
451.32025	15.7
469.33484	19.8
487.34283	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	487.3422
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05510	17.5
57.03448	4.5
57.07082	5.0
67.05508	13.6
69.07049	22.0
78.44703	4.0
79.05508	27.6
81.07063	36.7
83.08617	7.2
91.05490	33.1
93.07042	53.6
95.04997	7.8
95.08613	48.6
97.06551	8.4
97.10229	5.3
97.38799	4.7
98.21541	9.4
99.08088	8.9
105.07032	69.0
107.08614	56.2
109.06517	10.2
109.10151	24.6
111.08105	5.0
117.07058	10.8
119.08589	100.0
121.06538	6.5
121.10152	40.0
123.08061	11.8
123.11735	8.6
129.07010	4.3
131.08580	73.0
133.10146	61.6
135.08035	7.5
135.11694	23.3
137.09610	6.0
141.09174	4.4
143.08614	16.2
145.10127	60.5
147.08080	9.3
147.10542	6.8
147.11710	94.8
149.09628	13.6
149.13268	14.5
156.09325	6.1
157.10178	23.2
159.11703	53.8
161.09651	15.3
161.13297	28.7
163.11237	10.2
163.14844	18.7
165.09326	4.9
167.10715	6.1
169.10110	8.0
170.10901	6.7
171.11667	23.2
173.13266	49.1
175.11258	8.6
175.14853	32.2
177.12720	6.2
177.16391	5.0
183.11707	17.4
185.13287	18.1
187.14825	58.7
188.15265	4.6
189.12787	9.0
189.16422	17.7
191.14343	18.1
193.12265	5.0
197.13333	10.8
199.14827	23.7
201.16396	71.7
203.14256	23.4
203.18073	10.3
205.15909	9.5
211.14842	6.6
213.16408	11.7
215.14284	5.2
215.17863	6.1
217.15799	9.7
219.17445	17.8
221.15388	46.1
229.19695	6.3
231.17450	5.3
235.17035	10.4
237.16214	5.9
253.19501	5.5
255.21161	5.2
259.99240	4.8
269.22678	6.7
299.20193	9.5
301.21710	4.4
387.30408	7.1
393.31555	10.1
405.31485	19.7
411.32867	10.8
421.31235	13.6
423.32651	32.9
433.30927	9.5
434.37454	5.2
439.32101	10.9
441.33426	20.6
451.32187	24.2
457.33905	4.8
469.33307	22.8
487.34296	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	487.3421
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
53.47235	3.0
55.05506	3.9
56.17946	3.0
67.05508	7.7
69.07038	6.6
70.67792	5.1
70.68158	8.2
79.05489	9.1
81.07067	17.4
91.05460	8.1
93.07043	12.3
95.08627	20.9
98.95535	2.9
99.08083	5.8
105.07025	22.8
107.08599	31.9
109.06516	3.7
109.10155	27.2
111.08127	3.7
117.06975	3.2
119.08582	37.8
121.10159	21.2
123.11708	11.9
129.07014	4.2
131.08594	16.6
133.10153	33.6
135.11671	11.7
143.08617	18.9
145.10167	25.4
147.11708	27.4
149.13217	4.7
157.10110	17.4
159.11737	24.1
159.12820	4.0
161.13223	14.2
163.14822	6.6
169.10138	3.7
170.10893	4.2
171.11700	13.8
173.13257	8.1
173.57874	3.2
175.14886	19.8
177.16447	4.5
183.11761	6.5
184.56982	3.6
185.13257	76.4
187.14796	27.3
189.16367	19.4
197.13188	7.2
199.14821	19.9
201.16391	13.4
203.12480	5.4
203.14343	100.0
205.15883	20.3
210.43303	3.9
213.16402	6.7
217.15814	4.3
223.16885	19.6
227.17943	5.1
249.14856	68.4
253.19478	5.7
271.20508	6.5
277.08325	3.4
283.20599	15.1
285.22214	3.3
301.94537	3.6
307.22626	4.0
333.69470	3.7
351.26614	4.2
405.31436	8.0
423.32559	23.3
433.30737	3.8
439.31894	10.1
441.28033	6.8
441.33710	88.4
442.33859	5.6
451.32294	4.4
487.34265	80.1
488.34653	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3422
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
55.05512	6.2
66.98410	2.2
67.05502	6.1
69.00368	2.2
69.07076	5.5
69.38519	13.4
79.05500	4.6
81.07064	16.1
83.08640	4.3
87.55285	2.3
90.53619	2.3
91.05501	8.4
93.07061	17.1
95.08609	12.9
105.07026	21.4
107.08601	19.9
109.06524	3.0
109.10161	22.1
109.27956	2.4
117.07040	3.4
119.08594	30.5
121.10120	17.6
123.08113	3.3
123.11707	5.6
129.07021	3.8
131.08594	12.8
133.10152	22.6
133.32439	2.2
135.11723	10.2
137.13297	3.3
143.08591	14.9
145.10120	24.8
147.08092	2.8
147.11716	15.9
149.13251	5.9
157.10162	10.9
159.11725	11.8
161.13269	8.0
163.14833	7.7
169.10075	5.0
170.10954	3.6
171.11720	8.7
173.13301	7.3
175.14833	24.2
177.12764	2.4
177.16438	7.2
183.11751	6.8
185.13286	51.6
187.14828	35.3
189.16393	6.3
191.09195	2.4
197.13217	4.9
199.14874	16.2
201.12740	2.4
201.16441	18.3
203.14343	55.7
205.15900	19.7
211.14828	2.8
213.16525	3.0
217.15942	3.9
221.15314	4.9
223.16919	24.4
227.17934	4.4
231.13855	3.5
249.14850	31.0
253.19688	3.4
267.21454	3.2
283.21051	4.2
314.52667	2.5
405.26367	8.5
405.31702	13.0
423.32730	17.8
426.80658	2.7
441.33661	100.0
451.32425	5.6
469.33130	7.7
487.34247	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3421
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05494	6.7
56.02482	6.2
67.05513	11.8
69.38799	16.8
69.39207	34.7
71.04987	5.6
72.29987	6.6
79.05472	20.7
81.07057	33.8
91.05473	28.9
91.88065	8.1
93.07051	50.9
93.59693	6.3
95.08627	40.6
99.08088	17.8
105.06436	5.8
105.07058	46.4
107.08611	100.0
109.10159	50.7
119.08606	59.0
121.10149	45.1
123.11733	9.4
131.08569	40.1
133.10136	69.3
135.11688	38.4
143.08548	18.6
145.10107	52.2
147.11710	68.6
149.13264	16.2
151.11209	8.7
153.12749	7.7
157.10130	28.0
159.11732	53.2
161.13248	32.2
165.12808	6.3
169.10097	11.5
171.11711	28.9
173.13277	41.6
175.14804	14.9
177.12761	10.6
179.14334	8.1
183.11606	33.1
185.13359	31.4
187.14859	56.5
195.13820	13.1
197.13217	17.3
199.14871	41.5
201.16348	31.9
203.14255	7.6
205.15916	36.4
209.13243	6.3
211.14784	8.0
213.16371	14.6
215.14326	9.5
215.17947	8.2
217.15990	11.5
219.17456	11.3
220.35606	6.3
223.14598	6.5
227.17876	15.8
250.08539	6.6
251.18098	7.6
253.19504	14.5
267.21002	9.4
271.20523	19.1
273.22205	6.9
283.20630	61.4
285.22092	7.5
301.21805	15.3
333.25629	7.2
346.14407	8.0
351.26840	22.0
369.27902	12.6
387.30115	10.3
405.31497	31.7
423.32642	74.0
433.31015	9.6
441.33624	72.3
451.32242	33.0
469.33084	20.3
487.33823	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05517	16.0
56.97282	3.1
67.05500	14.1
69.07076	16.4
69.38828	12.9
69.39251	13.8
79.05482	18.7
81.07066	29.7
83.08636	3.6
91.05475	29.8
93.07047	38.1
95.04981	5.5
95.08616	39.3
97.06556	3.8
99.08108	13.1
105.07041	67.3
107.08598	53.5
109.06529	7.8
109.10150	15.6
111.08076	6.1
115.02200	3.3
117.07011	6.9
119.08595	100.0
121.06524	8.0
121.10145	28.2
123.08039	4.0
123.11694	7.0
125.09588	3.7
131.08571	63.9
133.10141	61.5
135.08063	4.7
135.11687	24.7
137.09653	6.1
142.07809	5.1
143.08589	15.2
145.10135	48.4
147.08133	6.8
147.11702	97.4
149.09659	7.5
149.13284	12.5
155.08585	4.6
156.09378	6.3
157.10126	20.3
158.10931	4.6
159.11693	43.9
161.09647	14.0
161.13246	21.5
163.11211	10.3
163.14819	11.2
169.10123	6.8
171.11667	19.7
173.13274	53.3
174.25127	3.5
175.11273	7.6
175.14841	27.8
177.16428	8.5
183.11736	9.6
185.13271	27.9
187.14821	56.5
189.12828	6.4
189.16425	16.5
191.14316	24.4
193.12294	4.2
197.13182	6.2
199.14792	19.6
201.16394	96.2
203.14304	18.8
203.18004	8.1
205.15874	20.9
211.14932	7.2
213.16380	10.4
215.14349	4.1
215.17934	6.8
217.15874	10.1
219.17438	24.5
221.15408	47.0
222.15967	3.4
223.17050	5.6
227.17993	3.8
229.15785	5.8
235.16924	10.0
247.16951	6.2
261.18408	5.8
297.22299	3.9
299.20337	4.6
365.28510	4.1
369.27734	5.1
387.30594	7.1
393.31494	11.1
405.31647	18.0
411.32669	11.7
416.01663	3.7
421.30618	5.8
423.32681	33.3
433.31174	7.1
439.32034	8.2
441.33530	16.4
451.32272	16.5
469.33774	18.4
487.33798	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	487.3423
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.41324	5.8
51.48324	6.1
52.98970	5.8
54.18048	6.1
55.05513	18.0
56.92122	7.0
57.03406	6.6
57.07080	6.7
59.89301	9.0
62.49767	6.9
67.05498	23.2
69.07056	23.3
70.85128	14.2
79.05501	23.3
81.07054	48.8
83.08641	8.7
91.05468	26.3
93.07064	58.4
95.04962	11.2
95.08620	70.3
97.06560	13.8
105.07047	77.2
107.08611	87.4
109.06502	9.4
109.10172	45.4
117.07001	11.8
119.08591	100.0
121.06546	6.4
121.10172	50.1
123.08071	9.0
123.11711	18.9
125.09569	7.2
129.06999	8.4
131.08578	54.7
133.10141	94.0
135.08110	13.1
135.11699	34.4
143.08575	26.4
145.10135	76.2
147.11719	43.2
149.09628	12.6
149.13266	18.6
149.74327	6.7
153.78943	7.1
155.08548	7.7
157.10168	34.1
159.11732	60.3
161.09622	14.6
161.13326	37.2
163.03909	10.8
163.11182	19.5
163.14818	24.8
169.10101	8.3
171.11674	14.7
173.13297	69.1
175.11116	8.7
175.14850	48.2
177.12759	10.4
177.16397	22.4
183.11688	11.7
185.13283	41.0
187.14868	73.8
189.16354	18.9
189.34064	7.6
191.14328	65.5
191.17967	16.1
197.13252	12.4
199.14821	22.2
201.16396	85.6
203.14331	39.5
203.17998	31.0
205.15887	18.2
211.14899	9.8
213.16354	14.0
215.17963	12.5
217.12263	6.9
217.15874	16.5
219.17386	13.2
221.15332	40.1
227.17972	10.2
229.15973	7.9
245.15405	10.7
247.16908	13.6
249.14848	17.7
281.22745	7.6
405.31589	50.5
411.33008	10.6
421.31079	9.0
423.32755	67.3
433.30908	16.1
439.31900	12.3
441.33548	30.1
451.32413	39.9
469.33319	18.7
487.34534	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.49081	3.7
55.05501	18.1
57.07080	7.1
57.93959	4.0
58.72258	3.9
67.05515	19.8
69.07055	14.7
69.71220	23.3
79.05492	26.4
81.07066	36.1
83.08598	9.2
85.02903	6.1
85.06532	6.2
91.05490	30.4
93.07059	46.1
93.82637	4.1
95.04975	10.3
95.08617	47.5
97.06531	12.5
99.08084	18.6
105.07038	84.2
107.08611	56.3
109.06513	8.0
109.10140	31.4
111.08090	9.0
117.07003	11.1
119.08592	100.0
119.09428	4.5
121.06508	11.6
121.10146	36.8
123.08086	4.1
123.11749	6.5
129.06973	5.0
131.08580	64.7
133.10133	66.0
135.08023	8.7
135.11693	26.0
137.05983	9.3
137.09593	9.4
142.07739	6.2
143.08543	16.2
145.10132	54.1
147.04454	8.1
147.08043	6.1
147.10551	4.3
147.11707	85.4
149.09657	6.2
149.13223	12.1
155.08562	6.0
157.10143	29.5
159.11720	48.0
161.09622	8.5
161.13257	21.7
163.03906	9.8
163.11171	10.9
163.14792	13.5
169.10118	10.1
171.11714	20.3
173.13272	47.0
175.07408	5.6
175.11223	5.1
175.14853	27.0
177.12740	7.6
183.11694	11.4
185.13307	25.1
187.14825	52.6
189.12706	6.2
189.16348	20.2
191.14278	16.3
193.12265	5.9
193.15875	8.2
197.13322	9.4
199.14845	16.3
201.16397	85.5
203.14282	23.1
203.17990	7.0
205.15906	17.3
205.19304	3.8
209.13350	6.0
211.14873	4.8
213.16420	11.1
215.17885	5.0
217.15840	8.4
219.17395	20.2
221.15384	42.4
231.17613	6.1
235.16968	11.5
247.17004	8.0
253.19539	5.0
255.20988	6.5
261.18619	4.8
284.10999	4.5
299.20087	6.1
363.26788	5.9
393.31525	11.2
405.31656	23.7
411.32025	7.4
423.32697	39.7
433.30890	9.6
439.31927	5.3
441.33728	19.2
451.32303	19.9
469.33115	22.6
487.34033	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	487.3419
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
55.05519	2.8
55.64228	0.6
57.07080	0.7
59.05002	0.8
67.05505	3.2
68.14896	0.5
68.50403	0.6
69.07063	2.7
69.56396	3.8
79.05491	2.9
81.07063	8.4
83.04985	2.3
83.08591	1.3
85.06541	0.6
87.50339	0.6
89.62500	0.5
90.16396	0.6
91.05485	3.2
93.07056	6.4
95.04958	1.2
95.08621	10.6
97.00820	0.5
98.54496	0.6
105.07042	11.2
107.08604	10.0
109.06523	1.5
109.10168	7.9
111.08080	1.5
117.07040	1.3
119.08590	13.3
119.72684	0.7
121.06544	1.5
121.10153	10.9
123.08086	1.6
123.11709	2.3
129.07027	1.4
131.08572	4.9
133.10147	12.1
135.08104	1.7
135.11714	6.3
137.09631	0.9
143.08589	4.1
144.09383	0.8
145.10133	7.7
147.08060	1.2
147.11702	5.9
149.09644	2.1
149.13284	2.5
151.07518	0.8
151.11217	1.7
153.09148	1.0
155.08603	1.0
156.09378	1.0
157.10138	5.3
158.10873	0.7
159.08083	0.9
159.11697	6.3
161.09637	3.5
161.13274	4.1
163.11182	1.5
163.14777	2.9
169.10100	0.9
170.10924	0.8
171.11681	3.4
172.32063	0.7
173.09622	0.9
173.13263	5.1
175.11241	1.4
175.14838	10.9
177.12770	0.9
177.16405	2.3
183.11737	2.3
185.13274	11.5
187.11203	0.7
187.14832	8.9
189.12822	1.4
189.16408	7.0
191.14386	0.9
191.17873	1.1
193.15913	1.1
195.11691	0.8
197.13268	2.4
199.14763	4.5
201.12753	1.4
201.16348	4.2
203.14316	11.7
203.17969	0.6
205.15900	6.7
211.14847	1.6
213.16440	1.1
215.14291	2.9
215.17943	1.3
217.15916	3.5
221.83394	0.6
223.16916	2.9
225.16330	1.0
227.17986	1.3
229.15910	1.3
229.19633	0.9
230.63742	0.6
233.15388	2.7
235.16980	1.4
237.16495	1.0
239.18161	0.8
241.19487	1.0
245.15385	0.9
249.14900	11.6
251.16437	2.7
253.19566	2.3
257.19067	0.9
267.21149	0.6
271.20621	1.9
276.82159	0.7
299.20096	0.7
309.21951	0.7
317.20941	0.7
369.25049	0.8
387.30341	0.8
405.26767	0.7
405.31506	3.5
423.32813	4.2
433.31030	1.1
441.33618	15.2
442.34073	1.0
451.32233	4.1
452.32721	0.7
469.33109	2.3
487.34222	100.0
488.34689	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	487.3419
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05510	8.2
57.07067	3.4
60.08261	3.6
67.05489	9.2
69.07066	8.4
69.39214	23.7
69.39616	7.9
79.05490	13.6
81.07063	25.0
83.05003	4.0
83.08625	7.7
91.05483	13.9
93.07053	20.9
93.50636	3.7
95.05000	3.7
95.08614	29.9
99.08114	10.9
101.21693	3.9
101.30602	4.0
105.07027	39.3
105.17725	3.8
107.08607	39.8
108.65199	3.6
109.06525	4.7
109.10165	25.9
117.07040	5.4
119.08588	55.1
121.10145	27.7
123.11668	8.7
130.58160	3.8
131.08572	20.8
133.10147	40.1
135.11702	18.0
142.07776	5.5
143.08560	22.5
145.10153	37.2
147.11699	32.2
149.13289	5.3
151.11130	4.7
157.10101	17.6
159.11700	25.1
161.13257	19.7
163.11130	5.4
163.14862	10.5
169.10216	5.3
170.10895	4.7
171.11702	14.8
173.13268	27.5
175.14865	21.9
177.12712	6.0
177.16353	12.4
183.11668	9.2
185.13269	83.9
187.14804	35.6
189.16318	19.6
191.14313	11.0
195.13789	3.8
197.13312	10.0
199.14890	20.7
201.16435	24.9
203.14330	100.0
203.17972	7.6
205.15871	25.7
211.14813	8.6
213.16386	9.2
217.15816	9.3
219.17336	8.0
221.15410	8.9
223.16945	14.9
225.16324	5.4
231.17374	3.8
249.14903	67.3
253.19511	4.8
263.60062	4.0
273.21906	5.2
275.65121	4.5
283.20618	11.0
405.31345	14.2
423.32556	33.8
441.33661	79.9
451.32120	6.5
469.33374	9.8
487.34320	75.8
488.34183	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3419
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05501	19.9
55.46229	5.1
67.05481	21.3
69.07050	23.0
69.07385	6.1
69.72721	11.9
69.73132	20.8
71.04991	5.4
79.05483	21.8
81.07061	44.9
83.08596	15.0
91.05476	28.1
93.07037	36.6
94.72120	5.1
95.04906	5.5
95.08609	55.4
98.21429	11.3
99.08108	11.3
101.77330	6.1
105.07030	49.9
107.08614	69.5
109.10152	36.5
111.04393	5.6
111.08102	11.5
117.06950	7.4
119.08585	100.0
121.10157	50.2
123.11669	16.2
125.09598	18.0
129.07001	10.2
131.08574	38.5
133.10144	62.8
135.11697	22.3
137.09630	8.5
138.79213	5.8
142.07822	5.9
143.08530	26.3
145.10152	42.6
147.11668	35.8
149.13210	12.9
157.10118	22.8
158.10895	8.7
159.11726	52.2
161.13239	29.7
163.11252	5.2
163.14825	10.0
170.10919	5.8
171.11699	19.9
173.13290	42.6
175.14833	27.9
177.12801	9.3
177.16312	9.0
181.10190	6.5
183.11700	16.0
185.13277	49.3
187.14810	61.2
189.16402	23.7
191.17905	5.4
197.13266	13.1
199.14844	31.2
201.16383	49.2
203.14336	26.6
205.15897	18.6
211.14651	7.0
213.16417	18.7
215.18002	9.5
217.15794	9.1
219.17371	13.6
225.16260	6.4
227.17979	9.3
229.15710	6.6
231.17337	7.3
239.17979	7.2
245.15312	9.6
247.16777	6.8
249.14871	19.9
253.19403	6.8
267.21057	7.3
279.21338	6.0
281.22760	5.8
405.31686	46.1
407.33289	10.1
423.32455	24.3
433.31021	14.6
441.33496	15.7
451.32346	34.9
469.33398	25.4
472.02194	6.0
487.34750	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3419
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
59.30050	6.3
67.05508	21.8
69.07066	18.4
69.39733	60.3
69.40066	9.9
79.05478	24.6
81.07040	33.8
83.08623	10.6
91.05488	28.3
93.07047	47.2
95.08633	39.9
99.08092	31.3
104.92302	6.1
105.07024	50.1
107.08608	87.9
109.10142	54.0
112.45073	7.0
117.07031	20.5
119.08576	66.0
121.06523	9.3
121.10146	47.7
123.11707	19.2
129.07018	12.0
131.08586	35.1
133.10120	65.7
135.08093	10.6
135.11748	39.4
143.08562	16.9
145.10089	54.6
147.11685	100.0
149.13240	12.7
153.12775	7.0
155.89806	7.8
157.10139	28.8
159.11691	47.3
161.09727	8.9
161.13313	38.6
169.10094	11.8
170.10773	8.7
171.11655	31.8
173.13298	38.2
175.14874	19.1
177.12817	22.4
181.10146	8.6
183.11716	29.2
185.13329	47.6
187.14787	50.4
189.16347	12.8
195.11971	7.8
195.13828	32.0
197.13280	32.3
199.14841	42.5
201.16342	37.4
203.17900	8.1
205.15903	26.9
211.14758	18.8
213.16446	29.3
215.14278	9.0
219.17494	11.4
223.14932	11.5
225.16374	10.4
227.17886	18.1
237.16313	7.4
239.17990	11.6
241.19521	10.8
243.17500	9.0
245.18990	10.7
251.18056	11.9
253.19461	13.7
267.21103	11.7
271.20648	15.1
273.22134	13.6
283.20551	76.3
301.21780	10.6
351.26895	11.4
369.27975	15.5
405.31726	56.3
423.32648	96.5
441.33725	93.1
451.32327	41.4
469.33505	14.6
487.34628	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	487.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69056	4.4
55.05497	17.2
57.07071	5.3
67.05503	23.0
69.03441	5.1
69.07063	15.5
69.37475	32.7
75.90153	3.4
75.94547	3.5
76.60170	3.7
79.05504	21.8
81.07063	42.7
83.08609	11.0
88.54542	3.4
91.05464	26.3
93.07052	46.7
95.04965	9.1
95.08621	46.8
97.06520	10.9
99.08092	38.1
103.05452	5.0
104.11681	4.2
105.07049	52.6
107.04956	4.0
107.08605	61.3
109.06535	10.7
109.10168	45.4
111.08072	12.8
113.19432	4.5
117.07040	11.5
119.08596	68.7
121.06513	10.9
121.10163	53.2
122.53525	4.6
123.08074	10.6
123.11732	18.5
125.09628	7.6
128.06239	4.6
129.07018	10.6
131.08629	25.6
133.06476	11.1
133.10135	66.6
135.08051	11.7
135.11699	24.5
137.09642	12.0
142.07771	6.0
143.08577	29.5
144.05663	4.1
144.09367	5.6
145.06502	10.2
145.10118	54.8
147.08047	7.2
147.11691	34.9
149.09634	9.4
149.13274	14.6
151.11183	10.2
155.08597	6.5
155.63385	4.5
156.09294	4.6
157.10138	39.3
159.08133	9.3
159.11719	51.4
161.09630	12.2
161.13287	23.6
163.11159	9.5
163.14835	15.0
169.10138	16.6
170.10835	4.8
171.08138	5.5
171.11745	22.7
172.08813	4.8
173.09615	15.8
173.13275	26.5
175.11263	9.3
175.14862	41.3
177.12758	7.3
177.16408	18.7
181.10159	10.2
183.11763	18.7
185.09673	26.9
185.13261	57.6
187.11197	29.1
187.14824	50.9
188.49049	3.8
189.12743	8.0
189.16415	16.1
191.14314	5.9
197.09636	5.9
197.13242	7.1
199.11214	13.1
199.14789	24.5
201.12790	14.2
201.16447	16.7
203.14336	64.4
205.12257	30.1
205.15872	45.3
207.11708	5.3
209.13335	5.7
211.11139	10.0
211.14861	10.4
213.16423	11.1
215.14326	8.4
215.17848	4.4
217.15942	4.2
219.13853	7.1
219.17480	5.1
221.13441	6.2
221.15445	11.7
223.14893	7.4
223.16898	30.6
225.16415	5.5
227.14281	4.9
227.17978	4.7
229.15916	5.7
231.13838	9.2
233.15363	7.4
237.16338	7.0
239.14343	5.5
239.18018	4.9
241.15849	4.4
245.15402	7.6
249.14812	19.2
253.19640	6.0
257.15381	11.9
269.18982	5.8
271.17029	8.1
273.18655	4.6
345.25653	5.0
363.26770	5.9
381.27823	20.8
387.26318	7.3
389.28073	6.2
391.26266	8.4
405.26593	56.0
405.31644	9.0
407.29459	11.4
409.27570	21.8
423.28140	8.4
423.32712	13.7
425.30197	19.7
433.31805	5.2
441.33862	100.0
451.27881	25.2
469.29150	71.4
487.35010	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07032	0.6
53.03938	1.2
55.01864	1.2
57.03445	4.8
60.14857	0.6
61.02930	4.4
64.88998	0.7
69.03095	1.0
69.03438	16.3
69.25754	1.4
69.26077	6.2
70.06605	0.6
71.01339	1.3
71.04985	2.7
73.02912	2.7
81.03419	6.0
83.01320	0.7
85.02912	11.5
87.04468	2.3
88.62045	0.6
97.02881	5.2
99.04466	4.6
106.75783	0.6
109.02883	2.5
117.05493	0.8
124.24548	0.7
127.03922	2.3
139.03828	0.8
145.02771	0.7
145.04958	1.0
147.04399	0.6
147.09157	1.1
163.03860	3.1
163.08699	0.8
172.08713	9.4
173.07103	2.1
175.08739	2.2
190.09764	50.8
191.08174	31.1
192.08537	0.8
214.09775	1.0
232.10738	1.2
261.38629	0.7
303.01492	1.1
306.14590	2.8
307.12894	20.1
307.16220	1.2
324.15564	53.6
325.15912	1.1
469.18484	3.7
486.20871	100.0
487.21005	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	485.3268
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
51.02375	4.4
55.05506	13.0
67.05503	12.3
69.03427	5.7
69.07070	7.7
69.83631	21.5
79.05498	17.7
81.07061	28.5
81.33495	4.3
83.05001	5.8
83.08575	4.0
91.05502	30.3
93.07053	41.4
95.08618	32.1
97.06547	12.4
98.21526	4.8
99.08114	25.5
105.06398	6.6
105.07040	61.9
107.08606	67.7
109.06512	10.9
109.10143	15.3
111.08086	8.5
117.07019	14.4
119.08591	72.1
121.06514	10.1
121.10158	26.3
121.70744	4.2
123.08076	12.3
123.11663	5.9
128.71928	4.8
129.07050	5.7
131.08572	38.7
133.10149	57.4
135.08051	13.3
135.11716	23.6
137.09613	6.6
142.07764	5.4
143.08649	21.3
145.10135	53.7
147.11707	92.1
149.09616	10.1
149.13251	5.8
153.12735	6.8
155.08589	8.0
156.09372	7.3
157.10147	36.4
159.11736	39.7
161.09662	6.0
161.13277	14.3
163.11188	17.5
163.14845	6.2
168.25023	4.4
169.10129	17.1
170.10947	4.9
171.11670	27.2
173.13301	36.4
175.11200	9.7
175.14841	15.8
181.10103	7.8
183.11731	30.6
185.13300	27.4
187.14845	48.0
189.12767	7.1
191.14355	11.6
195.11710	12.4
197.13303	24.4
199.14853	22.4
201.12827	9.5
201.16397	23.2
203.14322	13.2
203.17957	4.7
205.15886	9.1
209.13275	9.3
211.14806	13.1
213.16367	13.1
215.14404	6.9
217.15895	11.4
219.17401	5.5
221.13321	4.3
223.14714	5.5
225.16451	8.7
229.15894	10.2
231.17557	7.4
233.15485	4.7
251.18033	6.2
253.19569	4.7
255.90698	4.2
257.19070	6.5
267.21085	5.3
269.19086	5.8
271.20477	6.7
281.18991	9.1
299.20093	100.0
349.25385	7.4
367.26297	15.1
391.30066	11.0
403.29956	20.3
409.31036	14.7
421.31137	48.2
437.30307	5.7
439.32083	59.4
449.30429	12.1
455.31613	6.1
467.31741	21.6
485.32806	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	485.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79284	2.9
55.05515	16.5
57.07067	2.9
67.05508	18.5
69.03451	15.2
69.07067	17.0
70.06567	3.8
70.87383	5.9
70.87726	4.8
71.04996	3.2
79.05498	20.2
81.03407	5.8
81.07064	38.2
83.04969	7.6
83.08607	6.7
85.02901	8.5
85.06534	3.9
86.09663	3.9
91.05478	35.2
93.07056	41.1
95.04959	8.4
95.08613	46.5
97.02889	4.1
97.06523	9.6
97.10196	3.4
99.08095	6.2
103.05480	3.2
105.07036	59.0
107.04966	4.7
107.08607	61.9
109.06512	10.1
109.10158	23.3
111.08076	8.9
117.07006	16.6
119.04938	11.0
119.08588	100.0
121.06507	11.3
121.10165	38.4
123.08068	9.1
123.11700	9.0
125.09602	5.1
127.03889	4.0
129.07013	5.7
131.08578	44.9
132.00000	2.9
133.10143	57.9
135.08029	11.9
135.11710	15.4
137.05957	4.9
137.09584	7.5
137.68230	3.1
141.06973	3.4
142.07765	9.9
143.08571	24.7
144.09366	6.0
145.02797	5.4
145.10135	87.4
147.04416	25.0
147.08040	5.4
147.11714	45.4
149.09564	4.9
149.13286	20.1
151.11191	5.3
155.08572	5.8
156.09299	9.7
157.10123	38.8
158.10878	5.1
159.08104	4.0
159.11703	52.3
161.09637	6.2
161.13258	26.0
163.03859	4.0
163.11176	7.3
163.14848	15.6
169.10133	11.8
170.10902	10.5
171.11703	29.4
173.13266	42.4
175.11177	7.5
175.14749	24.1
177.05501	13.3
177.12802	7.9
177.16360	7.5
181.10083	7.7
183.11699	19.0
185.13307	38.9
187.11223	3.8
187.14835	80.8
189.12772	6.3
189.16408	23.3
191.14359	28.9
195.11800	3.7
197.13261	11.3
199.14839	46.9
201.12727	5.7
201.16368	42.3
203.14287	15.9
203.17975	7.0
205.15887	19.5
209.13338	6.4
211.14825	7.0
213.16386	14.1
215.14317	5.0
215.17999	6.9
217.15973	23.6
219.17407	3.6
221.15410	6.7
223.14850	4.0
224.38716	2.8
225.16422	4.0
227.17981	5.0
229.15694	5.4
231.17276	5.3
233.15373	9.5
239.17992	4.0
245.15379	4.3
253.19371	6.0
263.16489	9.3
299.20016	6.2
317.23169	3.0
391.29807	5.9
403.30035	8.2
405.31674	6.8
419.29861	3.8
421.30948	11.9
423.32568	5.7
431.29373	4.3
437.30359	13.1
439.31958	14.0
449.30374	13.2
455.31436	5.6
467.31729	14.6
485.14301	5.4
485.33411	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	485.3266
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05522	6.1
64.92857	4.4
67.05517	17.5
69.03451	4.2
69.07083	9.2
69.20152	20.2
69.20580	29.4
79.05503	20.5
81.07050	30.7
83.04999	6.6
83.08640	11.1
91.05486	33.1
93.07050	38.1
94.59966	4.6
95.08611	35.9
97.06563	8.2
97.10209	5.6
98.21607	8.8
99.08125	17.5
105.07034	69.6
105.07685	5.5
107.08604	65.3
108.56299	4.6
109.06512	5.9
109.10174	26.0
111.08088	7.7
117.07057	11.3
119.08588	96.0
121.06515	5.3
121.10143	56.1
123.08113	6.7
123.11741	11.9
125.09654	6.9
129.07022	10.8
131.08565	42.1
133.10146	67.5
135.08130	5.7
135.11691	30.8
137.89363	4.8
143.08615	14.8
145.10149	71.5
147.08075	5.2
147.11699	41.8
149.09586	25.6
149.13284	12.9
151.07529	5.8
155.08633	6.7
156.09296	7.3
157.10107	22.1
158.10980	5.9
159.11670	29.7
161.09676	9.0
161.13292	28.8
163.11214	15.1
163.14847	12.6
169.10133	14.4
170.10887	8.3
171.11685	23.2
173.09656	8.4
173.13283	34.2
175.11295	8.1
175.14845	48.1
177.16362	5.3
183.11760	12.6
185.13312	18.9
186.96803	7.8
187.14824	100.0
189.12859	8.2
189.16405	22.2
191.14435	5.3
191.54578	4.6
194.11105	7.2
197.13234	24.4
199.14883	16.4
201.12750	8.2
201.16437	27.2
203.14328	13.5
205.15909	16.3
209.13332	15.9
211.14694	27.1
213.12952	5.2
213.16460	16.8
215.14357	11.2
221.15347	6.9
223.14937	4.5
227.14340	5.6
229.15952	18.3
231.17509	7.1
233.15483	8.4
237.16443	5.4
247.17035	5.7
249.15025	6.7
317.17883	10.0
321.25705	7.1
349.25220	4.9
367.26175	6.9
375.30493	10.8
393.31488	16.3
403.30069	34.4
421.30991	56.6
439.32190	37.4
449.30518	13.4
453.18048	5.5
467.31509	22.8
485.32492	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3267
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
51.13113	1.0
51.68229	1.2
53.03935	1.2
55.01868	1.0
55.05502	3.6
67.05497	4.8
69.07065	4.9
70.22698	3.2
79.05492	3.9
81.07058	6.5
83.08620	2.5
84.83000	1.1
86.44922	1.0
91.05510	5.3
93.07047	12.0
95.04970	1.2
95.08618	11.0
97.06548	1.1
99.08071	1.5
105.07044	13.8
107.08595	18.5
109.06517	1.9
109.10149	7.4
111.08071	2.4
117.07047	3.4
119.08593	17.4
121.06513	1.6
121.10156	12.5
123.08100	2.5
123.11709	4.3
129.06909	1.9
131.08563	9.0
133.10141	12.1
135.08072	1.7
135.11710	10.2
137.09669	1.6
141.07030	1.6
143.08588	5.6
145.10156	11.1
147.08054	1.4
147.11673	9.2
149.09639	2.2
149.13298	3.4
151.11224	1.2
155.08441	1.1
156.09499	1.3
157.10126	7.5
159.11703	13.3
161.13277	4.9
162.88998	1.3
163.11205	2.6
163.14876	2.1
169.10144	3.3
171.11707	8.9
173.13313	6.9
175.14871	5.6
177.12743	6.2
177.16412	1.7
181.10181	1.8
183.11731	3.3
185.13248	10.4
187.14804	8.2
189.12744	3.3
189.16412	2.1
191.14371	2.8
195.11749	1.9
197.13286	2.6
199.14864	4.3
201.12749	2.6
201.16402	6.0
203.14339	5.6
205.15924	4.7
209.13231	2.0
211.14845	2.5
213.12848	1.2
213.16476	3.0
215.14377	7.6
215.17880	1.2
217.15973	3.9
219.17503	1.6
223.14876	1.7
225.16484	1.7
227.18024	2.0
229.15945	4.5
231.17590	1.3
237.16325	1.2
241.15985	1.7
243.17485	5.3
247.13251	6.1
249.14877	3.1
255.17525	3.8
261.14896	8.0
265.19553	1.9
265.51730	1.0
269.19040	3.0
271.20752	1.4
275.16443	6.3
283.20569	2.2
287.16330	1.6
289.17984	3.4
297.18335	1.1
301.18158	1.8
311.20117	1.1
315.19684	2.1
317.21207	1.3
357.24341	2.3
375.30893	1.3
386.54004	1.3
403.29916	2.9
421.31097	9.6
439.32132	36.7
449.30713	9.7
467.31799	11.2
485.32700	100.0
486.32986	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	485.3268
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05510	11.3
57.31601	3.7
67.05503	14.1
67.10678	4.0
67.74850	3.3
69.07072	16.3
70.04968	8.4
70.05360	9.7
79.05482	21.8
81.03465	4.4
81.07054	34.4
83.05000	4.9
83.08617	10.7
85.99814	3.5
91.05486	20.9
93.07047	43.3
95.04973	5.4
95.08614	59.6
97.06565	6.8
99.08098	25.5
105.07043	60.3
107.08597	72.9
109.06545	5.6
109.10154	32.4
111.08088	5.8
117.07039	13.7
119.08595	78.0
121.06477	5.1
121.10143	52.2
123.08106	7.5
123.11723	13.2
128.06299	4.6
129.06982	8.4
131.08595	44.0
133.10141	61.4
135.08116	7.9
135.11711	23.5
137.09537	6.5
141.07047	3.9
143.08588	22.3
144.09415	4.4
145.10139	59.6
147.11687	40.3
149.09644	9.1
149.13289	10.7
151.11259	5.1
155.08557	10.8
156.09254	5.0
157.10133	28.8
158.10872	5.4
159.08066	7.9
159.11693	43.6
159.12871	4.4
161.09673	13.6
161.13274	27.7
163.11270	10.8
163.14839	7.8
165.06993	4.9
169.10162	16.9
170.10988	5.8
171.11734	26.1
173.09702	7.2
173.13275	42.9
175.11205	10.4
175.14832	25.2
177.12704	9.3
177.16454	9.3
181.10121	7.6
183.11722	26.6
185.13280	28.0
186.14001	3.5
187.11317	5.5
187.14816	52.0
189.12843	5.7
189.16469	9.4
191.14349	11.4
195.11809	6.4
195.13641	5.7
197.13307	17.6
199.14825	14.3
201.12723	14.6
201.16399	17.0
203.14359	11.0
205.15854	24.9
207.11713	5.7
207.13751	6.9
209.13228	8.5
209.15294	5.2
211.14839	17.5
213.12967	5.1
213.16431	13.2
215.14273	20.9
215.17717	7.0
217.15981	9.8
219.17366	5.3
221.13274	5.9
223.14886	6.6
223.17012	4.5
225.16437	6.0
227.14476	4.6
227.17999	8.5
229.15862	7.4
231.17528	8.8
233.15469	12.1
235.16977	4.2
237.16460	5.9
239.17911	4.2
241.16049	6.1
243.17332	4.7
245.18922	4.4
247.16966	4.1
255.17575	5.4
265.19720	8.4
269.18924	5.8
281.19073	6.6
283.20367	4.5
327.23578	4.0
333.22198	6.2
337.25128	5.5
349.25327	10.5
365.24667	5.0
367.26425	4.3
403.30014	24.5
409.31198	5.1
413.26724	4.2
415.24536	4.5
421.31183	50.5
431.29153	7.3
437.30554	5.6
439.32150	88.0
449.30582	23.1
467.32050	37.4
485.32956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3264
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
55.05510	7.9
57.07084	4.3
67.05515	10.8
69.03419	2.8
69.07072	10.0
70.75744	6.0
79.05505	8.0
81.07060	22.5
81.48272	1.9
83.04970	11.6
83.08627	6.3
84.23024	2.4
85.06538	3.0
90.46515	2.0
91.05482	16.5
93.07059	23.0
95.04959	3.2
95.08605	30.0
96.65510	2.0
97.06528	3.7
97.10186	2.1
99.08089	4.0
105.07039	54.0
107.08598	37.1
109.06547	6.3
109.10181	15.0
111.08088	4.0
115.48502	2.3
117.07043	6.2
119.08589	47.9
120.15859	2.1
121.06490	3.4
121.10153	30.9
123.08103	4.2
123.11699	4.9
125.09595	2.8
129.07016	3.9
131.08577	27.6
133.10133	33.3
135.08105	5.3
135.11703	14.1
137.09622	2.5
137.13290	3.4
142.07794	2.6
143.08562	20.6
144.09338	3.1
145.10126	32.3
146.03110	2.2
147.08076	4.3
147.11678	33.4
149.09689	3.9
149.13280	7.4
151.11150	2.7
155.08603	4.6
156.09325	3.3
157.10118	19.8
159.11682	26.8
161.09642	7.1
161.13260	18.3
163.07710	2.5
163.11188	5.6
163.14893	12.1
168.09424	2.8
169.10159	8.4
169.72710	2.2
170.10925	4.4
171.11688	13.8
173.09698	3.5
173.13280	27.9
175.11380	2.5
175.14842	42.9
177.12759	6.1
177.16428	6.2
183.11655	10.4
185.13258	50.5
187.14839	30.8
189.12801	3.7
189.16469	10.5
191.14313	16.7
193.15962	3.7
195.11714	4.1
197.13237	5.7
199.14845	17.8
201.12839	5.3
201.16403	14.4
203.14320	39.8
205.15895	8.3
209.13429	2.3
211.14893	5.5
213.16400	4.6
215.14381	9.3
215.17993	3.3
217.15938	7.6
219.13919	8.5
219.17546	4.7
221.15302	18.9
223.14920	4.1
225.16435	3.2
227.17967	4.3
229.15834	4.3
231.13907	7.7
231.17476	3.2
233.15425	10.5
237.16484	4.1
241.16060	2.5
243.17569	3.0
245.15364	2.9
247.13345	5.7
249.14786	17.1
253.19467	2.6
261.14658	4.6
315.19949	2.5
339.26840	3.2
339.51285	2.7
363.27026	3.0
367.26022	3.5
391.29904	2.7
393.31641	2.8
403.25186	3.6
403.30145	10.1
421.30951	21.1
431.29407	3.2
439.32095	56.2
449.30820	7.0
467.31876	19.1
485.32745	100.0
495.31586	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	485.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89737	19.5
56.96575	20.8
69.03415	26.1
70.09159	20.6
71.37002	43.0
85.02917	30.8
87.73881	23.1
98.97588	51.4
101.00927	33.0
119.01932	24.4
136.56282	20.2
147.04433	25.1
163.03903	51.8
173.02954	37.4
175.02870	26.6
177.70338	20.7
185.02934	52.9
187.02753	25.6
245.05058	85.4
247.04799	71.0
261.02921	29.3
296.40228	20.8
303.01389	32.1
337.40170	24.2
365.09161	27.6
485.06686	100.0
485.10767	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70121	1.9
56.96570	3.4
69.03406	3.3
70.06594	77.2
71.48746	2.2
85.02906	4.5
94.67429	1.6
97.02914	1.9
98.97569	8.1
103.05524	2.0
110.97531	2.5
112.07613	73.9
116.07102	16.2
116.98605	2.6
119.04953	1.6
120.08098	26.5
123.04436	1.7
123.05532	1.7
127.03911	3.1
135.04385	3.1
136.06233	2.0
137.05988	2.4
140.07082	13.0
147.04372	2.8
153.01807	5.5
158.08133	100.0
158.99632	1.7
163.03902	5.1
166.08635	7.0
178.18037	1.6
219.01747	3.8
237.02869	2.8
284.11331	3.2
302.00873	1.9
302.12512	2.8
303.01465	3.6
383.00397	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.2
57.03444	8.1
57.07082	27.6
62.27639	3.8
67.05498	12.6
68.54764	3.9
69.07057	11.3
71.08630	20.5
71.24109	8.4
73.27374	4.2
76.79032	3.7
79.05518	4.5
81.07051	18.6
83.08601	7.4
85.10181	9.5
89.06009	7.9
91.05495	6.8
93.07039	12.5
95.08601	18.4
98.98484	9.2
105.07030	17.0
107.08585	12.9
109.10149	9.9
119.08566	18.0
121.06467	4.8
121.10158	12.7
123.11659	6.2
131.08548	11.9
133.08618	5.8
133.10129	14.7
135.11713	9.4
145.10117	11.2
146.23398	4.0
147.11713	7.0
149.13326	5.0
155.01010	7.4
157.10175	5.8
159.11736	4.7
161.09634	4.8
161.13341	4.5
171.11723	4.5
175.11230	4.8
187.14761	8.1
203.82355	3.9
205.15723	7.1
291.93463	4.1
313.17139	4.1
313.27423	100.0
387.76633	4.6
398.42963	4.6
421.31232	7.4
439.32147	6.5
467.31415	7.3
484.47137	8.5
485.27957	49.6
485.34436	22.6
485.47314	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	484.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
57.07077	14.8
58.06590	1.4
67.05504	2.1
69.07065	2.6
69.28964	3.8
70.06593	14.5
71.08633	7.3
72.08156	0.4
73.02912	1.7
81.07053	3.1
83.08619	2.0
85.10189	2.6
88.07629	18.9
95.08609	3.4
97.10164	1.0
98.20714	0.7
101.06082	0.4
102.09184	13.3
106.08642	0.8
109.10133	1.2
111.11709	0.4
112.93976	0.4
123.11777	0.4
136.09811	0.4
200.20094	19.6
218.21205	1.8
228.23235	26.1
246.24255	2.7
255.23120	1.9
256.26367	1.7
270.78928	0.4
283.26312	31.7
284.26669	0.5
311.29453	18.5
361.54648	0.5
380.13919	0.4
484.47269	100.0
485.47485	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	3.3
67.05488	2.5
67.30706	2.4
69.03432	13.3
71.10793	5.4
71.11153	2.8
81.03403	4.1
85.02913	15.7
93.23633	2.8
94.06573	5.3
97.02893	7.0
98.06052	2.6
109.02837	2.8
110.09657	3.3
118.06532	18.2
119.04955	7.0
120.08067	4.9
123.04437	7.3
124.04702	4.1
127.03925	5.5
132.08115	4.9
137.02386	3.6
138.05472	5.4
138.09163	20.8
139.03897	5.6
144.08139	13.6
145.00301	2.6
146.06030	62.1
147.04414	27.7
153.01833	5.8
156.06548	17.7
157.73228	2.9
159.09161	9.1
163.03894	7.4
166.08656	31.1
170.06123	3.9
175.03964	4.1
188.07080	100.0
188.10678	4.2
191.03391	6.2
196.09923	4.3
205.09741	33.1
206.08398	11.5
211.12279	8.4
216.10210	3.5
219.02910	26.4
220.10008	4.6
221.00963	2.6
221.10684	8.4
223.08606	3.7
224.09457	5.9
231.02924	3.2
234.11356	3.0
237.10312	4.2
238.10986	4.3
239.11783	22.2
254.10364	2.6
257.12878	5.2
259.02414	5.7
262.10654	7.0
267.11325	47.2
272.11581	8.2
275.09781	3.3
276.12219	7.5
277.03448	15.2
285.12354	39.7
290.12714	4.7
303.01575	3.6
303.13403	54.5
303.48141	2.8
304.11826	7.3
313.05725	3.5
314.05878	3.7
321.14444	93.4
322.14713	2.7
339.11017	5.4
483.09015	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	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	26.2
56.95491	3.5
57.03439	6.9
57.07075	12.4
67.05505	10.6
69.07077	24.2
71.08634	6.5
71.50198	3.2
75.03240	2.8
79.05491	5.2
81.07045	9.9
83.08636	21.7
85.10164	3.5
85.51653	3.3
91.05492	7.8
93.07044	11.9
95.08610	10.7
97.06591	4.3
97.10188	12.9
98.98463	9.2
99.08074	6.2
104.07019	3.2
105.07035	12.0
107.08590	11.7
108.18835	2.7
109.10165	6.7
111.08155	2.8
111.11702	2.9
117.07043	2.9
119.08584	11.6
121.10176	14.3
131.08580	7.5
133.10165	15.8
135.08047	3.6
135.11676	5.6
137.83504	3.2
143.08582	12.2
145.10129	8.8
147.08083	5.5
147.11646	5.6
149.09555	3.3
151.11287	3.1
155.01064	6.6
157.10098	8.5
159.11722	5.4
161.09724	4.0
161.13284	4.0
173.13290	9.5
174.51091	3.0
175.14832	13.6
185.13324	3.2
197.13251	4.3
199.14877	6.2
201.12859	4.4
203.14357	6.8
211.14897	3.7
219.13808	6.2
225.16402	3.7
264.36868	2.8
293.18741	2.8
311.25833	100.0
409.67276	3.4
437.30423	22.5
465.29868	5.0
483.30981	12.8
483.36502	4.8
486.34448	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31910	1.0
57.03422	2.0
59.84555	1.1
61.02926	2.5
65.15007	1.0
69.03448	6.8
71.04992	1.0
73.02914	1.7
73.34746	0.9
81.03418	4.0
85.02914	11.9
87.04435	2.0
88.28500	1.1
91.05467	1.4
94.06564	2.4
97.01113	0.9
97.02889	5.5
98.21618	2.2
99.04471	1.4
109.02850	2.5
119.04944	4.4
122.05984	1.5
127.03940	2.4
135.04475	1.7
136.07602	2.1
137.02321	1.6
145.04907	1.5
147.04425	14.9
151.05753	1.1
153.01868	2.4
163.03891	3.2
173.07053	1.7
174.07928	2.6
183.09146	1.2
189.10353	2.9
194.09621	1.7
195.09189	2.5
196.09956	8.2
196.11479	1.4
197.10760	3.2
201.10323	1.7
202.10909	2.6
203.11842	1.3
206.08405	23.8
209.07079	2.3
210.11699	1.5
211.08698	2.3
211.12309	12.8
212.09422	1.5
213.10321	1.2
219.02902	12.7
220.09976	3.9
221.00774	1.9
221.10767	8.1
223.08688	5.8
224.09464	7.9
226.11018	1.3
227.08153	3.5
227.11711	1.5
229.13467	1.6
231.02922	2.6
237.10210	3.3
238.11069	6.7
239.08194	2.0
239.11806	24.9
241.09769	2.2
244.12016	2.7
254.10503	2.2
257.12900	8.6
259.02353	3.9
267.11319	61.6
272.11539	5.6
275.13925	3.5
277.03479	9.5
285.12369	68.4
290.12640	3.7
303.01407	2.2
303.13419	100.0
321.02240	1.3
321.05945	1.4
321.14453	27.0
322.14600	1.3
339.03232	1.8
433.23135	1.1
483.20380	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
56.96548	0.5
61.02930	0.6
65.03933	1.5
69.03423	2.3
71.49077	0.7
81.03419	1.1
85.02901	4.0
90.84196	0.5
91.05484	9.5
95.04994	2.7
97.02889	1.0
108.68070	0.6
119.04947	23.2
119.15418	0.5
121.02867	0.6
124.48844	0.6
127.03919	1.3
145.04941	0.6
147.04420	100.0
148.04753	0.7
153.01862	0.6
165.05463	3.4
206.08459	1.7
211.12317	1.0
219.02910	10.9
221.10722	1.0
223.08307	0.5
224.09396	0.9
237.10262	0.8
238.10931	1.1
239.11743	2.0
251.81674	0.6
259.02298	1.2
267.11325	5.9
277.03503	2.0
285.12357	5.6
303.08807	1.5
303.13434	6.9
309.09756	0.6
321.10104	0.8
339.11072	1.1
346.23486	0.7
363.11298	0.6
483.14960	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	483.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29951	1.6
56.80024	1.5
57.03438	2.4
57.20555	1.5
61.02928	4.0
65.03928	2.0
66.57098	1.8
69.03432	12.7
71.00909	2.7
71.01236	1.6
73.02916	3.1
77.67347	1.9
81.03434	9.5
84.55039	1.7
85.02913	24.3
87.04446	1.7
91.05476	4.1
93.38490	1.6
94.06569	3.7
95.04967	1.8
97.02918	7.6
99.04459	2.4
108.08054	3.1
109.02886	5.3
111.05585	3.1
118.06537	5.0
119.04932	5.8
121.05248	2.8
122.06026	4.4
123.05531	1.6
127.03912	6.5
135.04440	3.7
136.07582	5.6
137.02348	5.4
141.06487	3.4
144.08218	2.0
145.07590	7.5
146.06017	8.2
146.08331	2.2
147.04420	25.4
148.07590	2.1
153.01875	3.3
159.07703	2.7
159.09041	1.9
161.07101	1.8
163.03873	10.0
164.07024	2.4
173.07120	48.1
174.07872	7.5
175.03909	2.9
184.11182	2.0
189.10207	10.1
191.03403	2.5
196.10043	6.0
197.10832	3.0
201.10289	3.0
202.10901	8.1
203.03368	2.6
203.11813	6.3
206.08394	13.3
211.12263	7.6
219.02921	45.7
221.00807	3.6
221.10725	3.8
221.12744	1.7
223.08713	4.4
224.09476	4.4
225.10274	1.7
227.08090	2.1
227.11781	1.8
228.12535	2.0
229.13301	3.7
230.11871	2.7
231.02892	7.2
232.12091	2.3
238.11000	3.5
239.11835	18.0
241.01167	2.2
241.09767	2.0
242.11902	1.7
243.02905	1.8
244.12115	11.3
247.14368	1.8
257.12894	20.1
258.11261	3.9
259.02393	11.6
261.12515	2.2
262.13086	6.0
267.11313	30.3
275.01917	3.8
275.13953	22.6
277.03452	30.5
285.12372	49.1
286.10815	2.6
290.12662	7.6
303.01364	5.1
303.05313	2.6
303.13416	100.0
315.16943	1.7
321.02347	3.0
321.14471	78.4
339.03558	2.9
445.25900	1.6
483.14026	3.2
483.19913	4.3
503.60074	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03394	1.3
69.19060	7.7
69.19473	1.8
70.99856	1.6
82.99816	5.0
85.02905	1.6
93.04083	0.8
94.99845	1.8
97.02882	1.8
98.97559	1.7
101.00877	19.3
101.01511	1.5
113.00864	9.5
115.02429	1.4
119.01923	17.3
127.02414	4.4
127.03866	1.2
129.03981	1.2
131.01912	11.5
133.03465	1.5
137.00841	2.2
139.02376	2.3
143.01906	34.3
145.03485	11.6
147.01413	1.6
147.04416	2.7
149.03006	1.8
155.01901	35.0
157.03487	8.3
159.01428	3.1
161.02942	16.3
167.01897	16.8
169.03459	5.1
171.05064	3.1
173.02971	34.9
174.03119	1.3
175.04503	2.6
177.02464	3.9
179.01903	5.5
181.03363	1.3
183.00003	1.1
183.01407	6.1
183.05013	1.5
185.02965	40.6
186.03038	1.9
187.04503	5.2
191.03853	1.1
195.01331	1.0
197.02972	17.6
201.02452	79.4
202.02702	2.0
203.04010	11.9
209.02951	4.4
213.02457	15.0
215.04001	9.1
219.03511	73.4
220.03662	1.0
221.03055	1.2
221.05106	2.6
225.02412	2.6
227.04013	12.1
229.05556	1.1
231.01755	1.0
231.03568	10.7
237.02501	3.8
237.04596	1.4
242.05197	1.1
243.03542	2.7
245.05086	100.0
246.05251	3.1
249.04585	7.7
250.47722	1.1
255.03566	4.4
257.05005	4.7
261.04590	17.4
263.06149	11.8
273.04495	2.0
275.06122	15.4
275.99280	0.9
279.05637	5.4
281.07138	1.0
285.04486	3.7
291.09006	1.3
293.07190	3.8
303.05640	29.6
304.05832	1.1
305.07169	11.1
321.06686	36.8
322.06631	1.3
335.08197	3.1
363.07477	1.3
365.09390	8.8
483.12106	17.7
483.18240	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	1.7
57.17382	0.4
68.07063	0.5
69.26514	0.8
69.26915	3.5
82.78995	0.4
86.14978	0.4
98.97580	12.7
99.46320	0.4
102.04054	0.4
114.95557	0.9
116.97855	0.5
116.98614	6.6
132.96606	0.7
134.99641	2.0
138.95580	0.7
156.96576	1.2
160.86002	0.5
174.97670	7.2
190.95584	1.4
192.98735	3.1
196.94542	1.1
198.97725	1.0
208.96645	1.1
214.95645	10.7
215.95720	0.7
216.98743	5.5
232.96707	18.0
233.96776	0.9
234.99834	6.6
238.95645	1.9
240.98987	1.8
250.97762	10.2
256.96698	47.8
257.96829	2.2
258.99893	8.6
260.00079	1.3
260.99930	1.1
261.02985	0.7
263.02774	0.5
274.97748	63.4
275.97803	3.2
277.00873	5.2
278.01147	0.6
280.96481	3.9
283.00000	11.0
284.00067	1.1
284.99698	1.6
286.99628	0.6
289.96445	1.3
292.98785	7.3
297.99133	0.5
298.97754	91.8
299.97925	4.4
300.98193	0.6
301.01065	11.0
302.01120	0.9
303.00879	1.8
314.95544	1.2
316.98816	100.0
317.98969	5.7
318.99185	0.8
332.96747	1.2
334.99960	1.2
338.95667	0.6
340.00494	2.2
340.98837	3.1
356.96866	1.6
358.99911	6.6
360.00290	0.6
374.97955	3.7
380.96658	1.0
398.98096	5.0
401.01089	0.7
416.98962	11.7
417.99069	1.3
422.97754	6.9
423.02280	0.6
425.01263	0.8
427.01144	0.6
440.98941	89.9
441.99091	8.2
443.02948	1.0
445.02142	0.8
458.99966	76.9
460.00220	6.5
482.01593	2.8
483.00449	4.2
484.00040	0.6
500.98160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
56.07790	0.3
57.07074	0.5
58.06585	0.4
67.05493	0.9
69.07062	1.0
70.06568	0.5
70.09076	1.2
70.70596	0.3
79.05495	2.2
79.64864	0.3
80.25809	0.3
81.07062	2.0
82.06608	0.3
85.06542	0.7
86.09700	0.3
91.05486	2.2
93.07043	4.8
94.06566	0.5
95.04954	0.3
95.08611	2.3
99.08099	1.4
103.05473	0.3
105.07024	4.0
107.08600	9.1
109.10144	2.3
115.05465	0.4
117.07027	1.1
119.08585	4.1
120.08061	0.4
121.10150	2.8
123.11736	0.8
128.06247	0.5
129.07036	0.8
131.08582	2.1
133.10107	2.5
134.09689	0.4
135.11702	1.1
137.09634	0.4
143.08583	1.3
144.08072	1.2
145.08955	0.6
145.10089	2.9
146.09688	1.1
147.11702	3.0
149.09644	0.3
149.13277	0.5
151.11227	0.3
155.08591	0.8
157.10205	1.7
158.09673	1.2
159.10449	1.5
159.11711	2.4
160.11238	1.8
161.13252	2.3
163.11171	0.3
163.14842	0.7
165.12778	0.3
169.10162	1.3
170.09605	0.5
170.10948	0.4
171.11685	1.1
172.11217	16.5
173.11964	0.8
173.13293	1.7
174.12772	2.6
175.14848	1.0
177.12769	0.5
177.16420	0.4
179.14339	0.6
181.10107	0.5
183.11694	1.2
184.11275	0.9
185.13281	1.2
186.12775	8.0
187.14861	1.4
188.14355	0.5
191.14369	0.5
195.11867	0.6
197.13324	1.2
199.14822	1.0
205.15874	0.4
209.13364	0.7
211.14838	0.7
213.16466	0.9
218.15390	0.4
219.17319	0.3
223.14819	0.8
225.16472	0.7
227.18080	0.4
232.16951	0.4
239.17792	0.3
242.02344	0.3
242.15482	0.7
243.17482	0.5
244.16982	30.9
245.17613	1.1
246.18517	1.5
257.19156	0.6
258.18542	7.3
259.19327	0.7
263.20227	0.4
333.25671	0.3
351.26877	0.6
356.25919	2.2
371.16348	0.4
392.29807	0.9
398.30692	0.7
405.31613	1.4
410.30557	3.8
423.32608	1.0
430.23056	0.4
434.30328	0.4
441.33902	0.6
446.34378	0.7
452.31662	5.5
464.35352	2.4
467.34177	0.5
482.36374	100.0
483.34720	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	482.3243
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
54.24038	1.1
55.05505	3.9
57.03443	3.8
57.07082	27.5
62.06092	24.6
67.05515	5.5
67.36778	1.1
69.07064	3.7
71.00061	1.8
71.08640	20.2
73.06602	1.1
81.07050	8.3
83.08626	3.4
85.10188	14.1
89.06042	11.9
91.66262	1.2
95.08617	8.0
97.10174	3.5
98.98473	7.1
99.11755	1.5
107.08595	1.2
109.10155	4.2
111.11693	1.6
118.78268	1.1
123.11700	1.5
124.01658	1.8
124.09461	1.0
133.08597	7.7
142.02734	1.3
155.01065	6.9
177.11269	3.9
198.05406	1.1
216.06429	2.0
283.17560	6.1
310.31021	12.0
312.54697	1.2
330.98868	1.1
341.30524	100.0
342.30737	1.8
421.27097	6.5
462.32593	2.0
464.31412	1.7
465.37775	3.4
482.32950	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
56.05022	1.1
57.07066	3.1
58.06605	2.3
60.07890	1.1
60.08168	15.9
66.05106	0.9
67.05484	1.8
67.20097	0.7
69.07071	1.7
71.07384	7.1
71.08627	1.8
79.05512	1.6
81.07054	3.0
86.09712	47.1
91.05489	1.4
93.07030	3.8
95.08598	2.2
98.92705	0.8
98.98476	3.6
100.23994	0.7
103.13844	0.8
104.10751	100.0
105.07027	2.6
107.08616	6.1
109.10155	2.3
119.08581	3.0
121.10129	2.8
125.00013	25.4
133.10123	2.6
135.11700	0.8
143.08578	1.1
144.08124	1.3
145.10109	1.9
147.11707	1.4
157.10069	1.1
158.09663	0.9
159.10466	0.8
159.11745	1.2
160.11270	1.4
161.13261	1.9
161.53964	0.7
162.62538	0.9
171.11745	1.2
172.11214	12.5
173.11900	1.4
173.13286	1.5
174.12802	3.0
184.07356	90.4
185.65405	0.8
186.12794	6.3
244.16994	20.6
246.18677	1.2
258.11011	1.6
258.18484	5.2
260.25150	0.9
299.25763	2.3
356.25858	1.2
402.90155	0.8
410.30536	2.6
452.31656	3.2
464.30838	7.6
475.45856	1.0
482.36060	57.1
483.36346	1.4
505.58463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75991	1.4
55.05502	5.3
57.03434	4.7
59.04994	1.6
67.05510	3.6
69.03436	15.9
69.07068	2.9
70.59373	1.9
70.59727	5.0
71.05005	13.6
73.06556	4.3
79.05489	6.7
81.03434	14.2
81.07065	22.3
83.04999	2.9
83.08619	3.5
85.02923	20.7
86.09705	1.6
87.04481	13.0
91.05499	7.6
93.07057	12.5
95.04980	5.3
95.08611	2.4
97.02905	21.2
98.21436	1.6
105.07067	3.1
107.08575	9.6
109.02892	1.8
109.10133	1.9
111.08096	2.6
115.03948	22.2
119.08595	2.6
127.03950	2.1
129.07068	2.5
131.08585	3.3
133.04982	27.7
133.10132	1.8
135.11713	20.1
137.05978	9.2
138.06337	4.4
144.81972	1.7
145.04951	3.0
147.11778	2.2
150.02655	1.5
153.01915	2.0
153.12759	100.0
157.10152	2.3
171.13751	2.9
175.11246	2.8
193.12299	11.5
200.22118	1.5
211.13351	9.4
226.19234	1.4
251.91045	1.5
267.16000	3.8
285.17017	21.8
295.10254	2.1
326.23590	1.8
428.25443	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06317	0.7
53.03941	0.9
55.01872	1.1
55.05507	1.4
57.03436	3.4
59.04998	1.8
61.02914	2.3
67.05483	0.8
69.03433	5.7
69.07063	2.1
70.27693	2.1
71.04994	8.7
71.25558	0.6
73.02913	5.9
73.06563	2.9
78.69388	0.5
79.05508	3.5
81.03420	2.0
81.07062	13.3
83.04977	0.8
85.02908	14.6
86.75405	0.6
87.04482	0.8
91.03916	0.6
91.05497	2.3
93.07051	9.1
94.96909	0.5
95.04980	1.0
95.08614	1.8
97.02901	9.7
97.06538	1.2
97.80262	0.6
99.04453	1.5
103.03919	0.8
107.08604	7.3
109.02883	1.6
109.10153	2.1
111.08060	0.6
115.03938	4.0
119.08541	1.1
127.03923	4.5
127.08283	0.5
127.72359	0.6
131.08534	1.0
133.04980	6.5
135.11703	15.4
137.05977	1.9
138.06291	1.2
145.04974	6.9
153.12753	100.0
154.13123	1.7
163.06042	2.2
171.13850	1.0
206.19527	0.6
211.09496	0.8
223.06015	1.0
241.07082	1.7
259.08112	3.1
285.17023	2.0
303.13480	1.0
321.14505	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49702	3.7
53.03942	5.8
53.64671	3.6
55.01867	7.3
55.05497	17.1
57.03436	4.0
57.07069	13.6
58.65103	3.5
64.97779	3.7
67.05496	10.9
69.03422	20.9
69.07073	63.2
71.04990	7.9
71.08618	7.6
71.49654	4.8
73.02924	4.5
73.06561	7.1
78.11610	5.0
79.05508	6.3
79.34959	3.8
80.04016	3.6
81.03433	24.4
81.07056	14.1
83.05011	5.4
83.08606	5.3
85.02911	61.1
85.10185	5.1
86.91147	4.1
87.00834	28.7
89.06039	20.8
91.05489	17.6
93.07081	6.7
95.04979	4.9
95.08611	9.4
96.93524	3.8
97.02905	34.0
99.04431	10.9
99.08150	3.7
105.01886	32.1
105.07014	13.5
107.08598	9.6
109.02879	22.1
109.10173	6.2
111.11736	76.9
119.08607	9.0
120.08889	4.9
121.10126	9.1
127.03923	48.1
129.12762	100.0
131.08519	5.8
133.10144	11.0
145.04993	25.5
159.02876	8.2
159.11754	4.6
199.16922	16.9
217.18034	11.4
231.05066	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	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
55.05511	11.6
55.17797	1.6
57.07063	2.5
67.05476	3.2
69.03451	4.3
69.07073	70.4
71.05003	3.3
71.08640	3.1
71.49687	3.4
78.99529	2.3
79.05488	2.7
81.03427	4.4
81.07043	4.6
83.04990	1.9
83.08610	3.3
85.02924	10.7
87.00813	5.2
87.78564	2.0
89.06013	2.3
91.05454	3.3
93.07042	6.2
95.08598	6.8
97.02894	5.3
97.06535	2.0
97.29701	1.8
98.55215	1.9
99.04423	2.3
99.08081	2.7
105.01853	4.4
105.03358	2.4
105.07042	7.0
106.07400	1.9
106.68134	2.3
107.08591	5.6
109.02852	2.8
109.10150	5.6
111.11726	100.0
117.06989	3.1
119.08572	7.1
121.10110	3.2
122.10438	2.2
123.90725	1.8
127.03897	8.2
129.07033	2.2
129.12755	2.3
131.08598	3.3
133.10124	5.9
137.09641	2.2
145.04980	2.5
145.10121	5.6
145.66748	2.1
147.11603	2.1
159.11707	4.1
161.09683	3.0
163.11197	2.6
167.85774	1.9
171.11568	2.7
173.13210	3.6
178.85458	1.9
183.11700	2.0
185.13295	2.3
187.14812	2.7
195.11589	2.8
197.13348	2.2
199.16931	34.7
204.13910	2.1
205.16035	2.1
208.35472	2.0
217.17992	16.8
224.23840	2.2
261.63403	2.2
301.73343	1.9
344.28958	2.1
418.28091	3.3
436.28989	2.7
446.28708	2.1
464.29083	3.1
482.29312	8.3
482.36066	2.2
483.31183	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01861	1.3
55.05503	1.9
57.03443	2.9
57.07084	0.5
59.04990	1.6
60.36745	0.5
61.02911	2.2
64.18995	0.4
67.05507	0.9
69.03441	6.8
69.07064	2.2
70.41624	0.6
70.41970	1.3
71.05001	11.4
73.02923	6.8
73.06558	3.0
79.05505	3.5
81.03431	2.3
81.07063	16.0
83.05024	0.6
85.02912	16.0
87.04465	1.3
91.03934	0.6
91.05475	1.8
93.07056	11.0
95.04967	1.0
95.08627	1.9
97.02305	0.8
97.02899	10.7
97.06513	1.1
98.25524	0.4
99.04451	0.9
105.07037	1.0
107.08595	8.9
109.02885	1.9
109.10136	2.8
111.08088	0.9
115.03934	4.6
119.08595	0.6
123.11703	0.5
127.03934	5.4
133.04984	5.6
135.11699	19.5
135.12746	1.0
137.05957	2.4
139.11235	0.6
145.04977	5.5
147.11711	0.7
149.06055	0.5
153.12756	100.0
154.13100	0.8
163.06024	2.3
169.12271	1.3
171.13792	1.5
174.56424	0.5
192.28876	0.6
193.08607	0.6
193.12292	0.7
199.05994	0.5
211.09650	0.6
223.06044	1.5
241.07085	1.3
259.08240	2.5
285.16995	2.5
313.11761	0.8
321.14529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.7
55.05501	6.3
57.03446	3.1
67.05507	20.0
69.03419	2.8
69.07071	11.0
71.04980	2.1
71.49732	2.3
79.05513	12.3
81.03423	2.6
81.07060	54.8
83.04987	4.1
83.08630	3.9
85.06547	3.8
91.05487	19.7
93.07047	11.7
95.04977	4.0
95.08611	17.1
97.06525	7.3
97.10163	4.4
99.08072	2.2
101.02379	3.3
105.07040	29.9
107.08604	10.4
109.02887	1.9
109.06513	7.0
109.10103	2.2
111.08070	1.8
119.08588	23.7
121.10152	14.9
123.08055	4.7
123.11716	16.4
125.81523	1.6
127.03960	3.0
129.07007	5.0
133.10110	4.1
137.05998	4.8
137.09610	1.8
137.13298	2.4
147.11705	68.2
148.04802	1.8
148.12022	2.0
153.01787	1.9
155.03391	4.8
157.10172	8.6
165.12756	36.8
175.11200	14.1
193.12245	18.5
204.09370	1.7
211.13235	2.3
229.14325	11.7
252.19803	2.2
252.87265	1.9
267.16150	2.5
272.27716	1.9
283.15512	13.8
285.17047	2.8
293.13708	2.5
311.14908	100.0
429.17487	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	481.3292
Annotation	Kermadecin E
Peak:m/z	Relative Intensity
61.52668	0.3
69.32950	0.8
69.33361	1.9
71.77846	0.3
78.79604	0.3
83.00240	0.3
102.65433	0.3
105.87042	0.3
481.32919	100.0
482.33295	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	481.3294
Annotation	Kermadecin E
Peak:m/z	Relative Intensity
51.00051	0.3
55.05511	0.8
56.34749	0.3
58.90218	0.4
63.18935	0.4
67.05495	1.4
69.07059	0.9
71.09597	0.7
71.09930	0.4
79.05485	1.0
81.07056	1.3
83.04974	0.5
83.08555	0.4
85.77880	0.4
91.05486	1.2
93.07047	1.4
95.08629	1.9
97.06538	0.6
105.07027	1.9
105.46217	0.3
107.08584	2.1
109.10156	1.2
117.07029	0.5
119.08587	3.1
121.10127	1.8
123.08072	0.4
131.08604	1.6
133.06561	0.5
133.10164	2.0
135.08032	0.4
135.11685	0.6
142.07756	0.5
143.08589	1.2
145.10144	1.7
147.11687	0.6
148.95276	0.3
151.07582	0.7
155.08580	0.5
156.09428	0.4
157.10144	0.7
159.11729	1.4
161.09599	0.4
161.13281	1.1
169.10077	0.5
171.11716	0.8
173.13316	1.3
175.14867	0.9
177.09201	0.4
183.11777	0.8
185.13313	0.7
187.11281	0.5
187.14847	0.9
197.13351	0.6
199.14885	1.0
201.16406	0.7
205.12344	0.4
213.16443	0.5
227.18185	0.4
244.16948	0.9
319.05020	0.3
363.23242	0.5
371.27939	0.4
397.27689	0.6
417.27942	2.3
433.27362	0.4
435.28934	2.4
437.29922	0.5
445.27328	0.7
451.28568	0.6
463.27786	2.8
481.33020	100.0
482.33728	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48807	1.7
55.01870	6.3
63.34026	1.4
69.03430	3.7
71.15668	3.7
79.25897	1.4
81.03445	2.3
83.01313	1.7
85.02874	3.7
109.02882	4.1
119.30636	1.5
123.04441	100.0
135.04385	3.0
137.02350	4.9
139.03952	9.9
141.01848	2.6
147.04440	12.1
149.02350	6.7
150.05505	5.6
151.03935	7.5
163.04015	9.5
163.07516	1.6
165.01839	42.7
165.05499	5.5
168.06586	2.2
175.03899	2.1
177.01878	9.2
177.05452	6.9
179.03394	9.3
183.02876	13.8
191.03459	9.2
193.05046	2.6
205.01363	13.2
205.04968	7.8
207.02853	9.9
211.99374	1.8
215.03418	2.1
219.02882	5.9
221.04463	6.7
223.02431	10.7
233.04430	20.8
235.02306	2.7
236.02754	1.7
237.03941	2.1
246.61127	1.5
249.04013	8.7
261.03979	9.3
267.05017	8.3
267.11383	2.8
277.03497	12.1
279.05011	4.4
285.12091	2.7
288.90720	1.7
295.04541	11.2
297.06100	18.9
303.13522	5.9
313.05539	82.4
318.11679	2.6
325.05518	4.5
359.07318	2.2
380.18326	1.8
411.07043	3.5
419.09906	2.3
429.08389	7.7
447.09351	20.8
465.10342	4.7
482.18402	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	480.3088
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03930	1.3
55.05516	13.8
57.03430	3.7
57.07064	4.9
62.05799	1.9
62.06094	28.0
65.15112	1.3
67.05508	12.3
69.06741	1.3
69.07077	20.7
69.78594	3.0
69.79008	4.5
71.08617	2.5
79.05481	4.6
81.07063	9.9
83.08627	12.6
93.07048	5.7
95.08611	13.2
97.10166	5.1
98.98469	6.8
102.89451	1.2
107.08592	4.1
109.10159	4.1
115.22687	1.2
120.63091	1.0
121.10194	5.7
121.10928	1.1
123.11680	2.1
128.99464	1.3
129.23119	1.0
133.42368	1.1
135.11710	4.7
145.10237	1.2
149.13197	2.4
155.01051	6.0
157.08736	1.0
216.06348	2.6
265.25323	5.2
274.53922	1.4
308.29486	17.2
316.71347	1.2
339.28964	100.0
340.29129	3.2
419.25385	3.8
424.28766	2.0
462.29660	2.4
480.13947	3.1
480.34982	3.3
481.14999	5.4
485.42029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.098
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
57.03427	0.5
58.52632	0.6
61.02933	5.8
61.05411	0.5
68.99780	1.8
69.03415	2.5
69.08343	0.5
69.31113	2.9
69.31535	1.7
73.02900	1.3
73.14692	0.5
79.05499	0.7
81.03404	1.3
83.16109	0.6
85.02912	5.5
91.03960	3.4
91.05471	1.0
94.04202	1.8
97.02913	3.5
103.05453	0.7
109.02856	2.2
111.00782	2.7
115.03893	0.5
119.04981	0.8
122.03657	3.2
127.03932	1.5
128.56676	0.5
130.95551	0.6
137.02353	2.8
137.05983	34.9
145.04919	0.9
147.04384	0.8
149.05998	0.6
150.04979	0.6
151.03920	0.7
153.01848	14.8
161.06049	0.8
163.03903	0.7
165.01869	3.6
165.07021	1.3
167.03442	1.4
167.07007	0.9
179.03371	2.0
179.50903	0.6
183.02870	0.9
189.05463	1.1
193.01328	0.9
193.06505	0.7
194.07295	1.6
195.02890	0.8
207.04643	0.6
207.58856	0.6
208.69658	0.6
217.04935	3.9
221.06007	1.3
222.06749	0.7
225.09079	0.8
235.02390	0.6
245.04491	4.2
253.08701	1.1
255.02907	0.7
260.65384	0.6
265.08649	3.5
273.03915	6.2
285.11240	2.4
290.04297	1.1
297.11215	4.3
301.03522	1.6
315.12314	4.7
319.04498	100.0
320.04877	2.0
331.04236	0.7
337.01810	1.0
472.46573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71727	4.9
52.80801	5.1
53.03948	5.3
53.67680	4.1
54.57418	5.1
55.01866	19.4
55.05503	6.2
57.03447	31.6
61.02918	20.6
67.05486	16.5
69.03106	5.2
69.03442	61.2
69.07077	72.5
71.01351	6.9
71.04987	7.1
73.02924	91.2
79.05518	8.2
81.03395	20.8
81.07059	45.7
83.04983	4.6
85.02915	100.0
87.04481	8.2
91.05472	11.4
93.07045	15.7
93.37635	4.8
95.04949	7.1
95.08594	15.5
97.02905	85.4
105.07009	12.3
107.08582	15.5
109.02872	14.2
109.06484	5.8
109.10139	15.1
111.08009	6.3
115.03927	38.5
119.04916	5.7
119.08608	11.9
121.06567	5.5
121.10136	10.9
123.08071	5.3
123.11720	93.8
127.03928	43.0
130.19786	4.8
131.04959	11.1
131.08551	6.5
133.04993	46.0
133.10098	6.7
137.05995	16.8
137.09621	6.7
137.13287	6.2
139.11211	10.9
145.04974	41.4
145.10103	6.3
147.11693	12.5
151.11188	79.4
161.13213	5.9
163.03905	8.3
163.06026	9.1
165.12714	6.5
169.12308	10.2
229.14351	5.0
238.74323	4.6
241.07175	5.9
259.08102	5.9
283.15494	32.2
314.06961	5.2
318.15353	5.4
407.14886	5.8
412.95273	5.3
462.61591	5.0
480.17291	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	480.3089
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.79893	0.6
52.21487	0.6
53.03946	0.9
55.05275	0.8
55.05516	11.6
55.83838	0.5
56.96563	1.0
57.03445	7.6
57.07084	6.8
62.06083	0.8
67.05513	11.1
69.07074	20.4
69.54755	4.3
71.04971	1.0
71.08645	3.5
79.05498	5.3
81.03429	0.8
81.07061	12.4
83.08170	0.9
83.08627	13.0
83.09066	0.4
85.02884	0.9
85.10176	2.1
86.09702	1.4
90.19897	0.5
91.05466	1.1
93.07059	6.1
95.04984	0.6
95.08613	11.2
97.06522	1.5
97.10167	7.4
97.96590	0.5
98.20744	0.8
99.08067	0.8
107.08588	5.5
109.10166	5.2
111.08089	0.9
111.11728	2.6
121.10160	5.9
123.11704	2.0
124.27341	0.6
135.11702	5.7
138.69209	0.7
139.11183	0.6
142.47330	0.6
149.13246	2.0
163.14845	0.8
209.73236	0.6
265.25424	1.4
267.09152	0.9
268.09326	0.7
277.92172	0.7
284.87659	0.7
308.29538	5.1
317.17728	0.7
339.28958	100.0
340.29199	2.1
454.73053	0.8
480.33353	3.8
497.79059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01862	2.1
62.06078	0.5
65.03934	2.5
66.43436	0.6
67.05508	1.1
75.04488	3.6
77.03923	0.8
78.04707	2.4
79.05500	2.1
85.02895	2.2
89.03908	0.8
89.06066	0.7
91.05495	11.3
93.03410	11.8
93.07050	6.2
95.04980	3.9
97.06540	2.8
98.21523	1.2
100.02995	0.6
103.05487	5.4
105.03375	0.7
105.04520	0.6
105.07029	0.8
106.04182	24.5
107.05008	2.6
109.06497	1.2
109.10091	0.6
111.04418	0.6
111.08076	0.7
117.03386	1.1
119.04987	1.1
121.06514	28.6
122.03748	0.5
123.04436	1.5
123.08094	0.9
125.06007	6.7
131.04915	2.4
134.03676	3.8
135.04456	1.2
135.24997	0.6
137.05994	5.4
138.06734	1.0
139.07555	1.9
144.40547	0.6
145.02861	1.1
147.04454	0.9
148.05202	2.2
149.05994	43.5
151.07527	2.0
153.05466	1.1
153.09102	11.5
159.04428	0.8
163.03891	2.2
163.07556	2.2
165.05576	0.8
166.06250	1.3
167.07043	4.7
169.12233	0.9
177.05478	22.6
177.09029	0.6
179.10698	0.6
180.07785	0.7
181.08606	18.8
182.09369	1.7
191.07040	1.9
195.06590	1.0
209.08107	100.0
210.08659	3.5
218.91245	0.6
281.84869	0.6
299.33026	0.7
339.20984	0.7
361.95389	0.6
407.43863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45723	0.6
53.03931	1.6
55.01870	1.8
55.05198	0.5
65.03928	2.3
67.05500	0.7
69.03413	0.8
70.06606	1.0
70.77863	1.5
73.38606	0.6
75.04465	2.5
78.04700	3.1
79.05486	2.2
81.07054	0.8
85.02906	3.1
89.03947	0.9
89.06010	0.9
91.05491	9.7
93.03407	9.4
93.07049	5.7
95.04964	2.3
95.08609	0.6
97.06536	3.0
103.05473	6.2
105.07034	1.3
106.04179	21.9
107.04948	2.3
109.06525	1.0
109.10144	0.8
111.04456	0.8
117.03358	0.9
118.04128	0.7
119.04975	1.0
121.02872	0.6
121.06512	26.5
123.08086	1.1
124.07636	0.6
125.05990	7.6
127.03896	0.7
131.04939	1.7
134.03600	4.0
135.04408	1.3
137.05968	3.7
138.06729	1.0
139.07538	1.9
145.02875	1.5
148.05182	1.8
149.05989	42.4
151.07524	1.5
152.08340	1.2
153.01842	0.8
153.05466	1.4
153.09105	10.9
163.03880	3.1
163.07545	2.1
165.05502	1.0
166.06226	1.6
167.07059	5.5
177.05481	25.2
177.08942	1.1
181.08607	18.7
182.09351	1.1
191.06989	2.0
195.06589	1.0
201.36545	0.6
209.08101	100.0
210.08679	2.5
323.19601	0.6
401.15982	0.8
411.95374	0.7
422.98026	0.7
480.17371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3753
Annotation	Clathriol
Peak:m/z	Relative Intensity
52.84667	1.2
53.03942	2.2
54.63518	1.0
55.01876	1.5
55.05511	13.9
57.03418	1.6
57.07077	2.5
67.05508	22.0
69.03439	2.8
69.07070	10.5
70.01097	4.8
71.04971	1.6
71.08654	1.4
78.05183	0.9
79.05490	15.0
81.03429	3.3
81.07062	33.4
82.07394	1.2
83.04971	3.9
83.08632	7.9
85.02904	2.2
85.06557	2.1
91.05482	18.2
93.07047	26.4
95.04961	4.3
95.08611	29.7
96.08964	1.6
97.06536	4.1
97.10155	4.1
98.24693	1.0
99.08086	5.5
102.07678	1.0
105.07038	30.8
105.49864	1.3
107.04978	3.5
107.07879	2.0
107.08595	29.5
109.06550	9.1
109.10156	21.4
111.04463	1.6
111.08097	5.0
113.09579	1.3
117.07013	4.3
119.08589	41.6
120.08912	1.8
121.06532	5.8
121.10151	26.3
122.10433	1.2
123.08102	4.6
123.11695	8.5
123.88194	1.3
125.09635	2.1
127.07596	1.6
129.07019	3.2
131.05002	1.7
131.08577	13.7
133.10143	25.9
134.10524	1.4
135.08063	5.6
135.11711	14.9
137.09648	6.5
137.13234	1.5
139.11191	3.5
143.08589	3.7
145.10121	22.7
147.08049	2.4
147.11685	15.8
149.09634	5.9
149.13240	8.2
151.11214	3.0
153.01747	2.0
155.08603	2.0
156.09320	1.4
157.10126	7.0
159.11720	14.4
161.09583	2.1
161.13274	8.9
163.11176	2.3
163.14786	5.3
165.12729	2.2
169.10115	2.1
171.11737	5.9
173.13289	9.6
175.11194	3.9
175.14847	9.1
177.12692	2.1
177.16397	4.6
179.14349	1.4
183.11725	2.5
185.13290	4.9
187.11180	1.8
187.14807	10.1
189.12804	2.0
189.16429	6.7
191.14276	5.2
191.17990	1.6
193.12277	2.8
195.11732	2.5
195.13812	1.8
197.13249	2.4
199.14766	5.7
201.16385	5.0
203.14409	3.1
203.17990	8.5
205.15848	6.6
207.17421	1.6
211.13155	1.7
211.14978	2.0
213.16330	3.4
215.14388	1.8
215.18057	3.2
217.15825	2.8
217.19507	1.3
219.13918	1.9
219.17494	1.7
221.15366	2.3
221.18951	3.0
223.16902	1.5
229.15990	2.0
251.17949	1.4
255.17525	1.2
271.24286	1.4
303.05032	2.5
369.23578	2.1
377.13666	1.3
377.32162	1.5
387.24518	2.8
388.32596	1.4
396.98502	1.2
407.33054	5.3
425.34329	7.1
443.35153	4.9
445.43079	1.4
461.29352	3.8
461.36279	100.0
462.27747	1.3
462.36569	3.5
479.18582	2.5
479.29535	7.6
479.37247	23.8
480.37634	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3732
Annotation	Clathriol
Peak:m/z	Relative Intensity
53.04031	0.7
55.05336	3.2
55.05647	5.3
56.01328	0.7
57.07196	1.7
67.05258	3.0
67.05659	7.2
69.03549	0.8
69.06809	2.3
69.07228	4.9
70.62516	1.4
70.62890	1.4
71.05122	1.0
73.84309	0.7
79.05160	2.0
79.05669	6.7
80.68873	0.7
81.03536	0.8
81.06700	4.0
81.07234	15.0
82.90575	0.7
83.04627	1.2
83.05156	2.8
83.08279	1.3
83.08804	4.3
91.05070	2.1
91.05681	8.4
91.40220	0.7
93.06589	3.4
93.07245	14.9
95.05144	1.8
95.08131	4.9
95.08806	22.5
97.06142	0.8
97.06688	1.7
97.10342	1.8
99.08253	1.5
105.06458	4.0
105.07243	20.0
107.05112	0.9
107.08004	3.7
107.08816	21.2
109.06686	1.4
109.09550	2.3
109.10371	15.1
111.08317	2.5
117.07254	3.2
119.07858	4.1
119.08814	27.3
121.06744	2.3
121.09410	2.6
121.10376	17.8
123.07475	0.9
123.08291	2.8
123.11945	4.3
125.09027	0.7
125.09812	1.8
127.13675	0.6
131.07745	1.3
131.08810	10.4
133.09276	1.8
133.10378	16.4
135.08319	3.1
135.10834	0.9
135.11942	10.2
137.09874	3.0
137.13445	1.5
139.11348	1.7
142.07970	1.3
143.08821	4.0
145.10384	14.0
146.10905	0.8
147.08249	0.8
147.11952	13.7
149.09894	3.0
149.13533	7.0
151.11400	1.5
155.08795	0.9
156.09525	0.8
157.10391	6.6
159.11963	11.5
161.09819	1.2
161.13545	7.6
163.11449	2.4
163.15102	5.1
169.10455	2.1
171.11978	4.3
173.13535	9.5
175.11453	1.9
175.15099	6.8
177.12982	1.6
177.16669	4.4
181.15997	0.8
183.11963	2.7
185.13544	4.0
187.14825	8.5
189.12944	1.3
189.16399	6.5
191.14581	2.5
191.18149	0.9
197.13490	1.8
199.15128	2.5
201.12863	0.8
201.16698	3.7
203.14558	2.5
203.17981	9.7
205.15874	4.4
206.16484	1.2
207.17607	1.4
209.13576	0.8
211.15132	1.5
213.16664	2.3
215.14555	1.1
215.18300	2.0
217.16051	1.6
217.19675	1.3
219.17813	1.1
221.13654	0.9
221.15710	2.5
221.19339	2.0
223.17223	0.9
225.16647	1.7
229.16020	1.6
243.17737	1.3
243.21170	1.2
253.19611	0.7
257.22910	1.3
281.19476	0.8
307.24258	0.9
337.25626	1.6
367.30362	1.8
373.60489	0.7
389.32388	0.8
395.33261	1.1
398.31476	1.2
407.33179	5.1
425.34299	5.9
426.30524	0.8
443.35400	5.1
461.36270	100.0
462.36560	3.0
479.30295	2.4
479.37292	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3371
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
53.03931	0.9
55.05518	9.5
57.07084	2.2
61.63098	1.0
67.05514	9.8
69.07073	13.1
69.55677	5.2
71.08612	1.0
79.05495	4.2
81.07062	22.3
83.08630	4.3
85.06534	2.4
91.05464	2.6
93.07050	3.3
95.04983	1.0
95.08616	16.6
97.10162	1.8
98.20773	1.7
99.00819	7.7
99.04455	2.7
105.07046	2.2
107.04969	1.6
107.08597	2.6
109.10181	6.5
113.02367	1.3
119.08560	2.2
121.10146	1.5
123.08062	1.0
123.11716	3.2
125.06004	1.6
131.08586	2.1
133.06551	1.1
133.10114	2.5
135.04465	1.3
135.08101	1.1
137.05983	1.4
137.13274	1.7
139.07513	1.1
145.10098	2.1
147.11728	1.6
149.06009	1.2
149.09659	1.6
153.05489	1.6
161.09698	1.6
163.03906	2.0
163.07578	1.2
163.11212	0.9
171.08072	1.2
175.07567	3.5
177.05504	4.6
177.09111	1.3
178.72217	1.0
181.04977	13.5
183.06520	3.2
189.09129	11.3
191.07068	2.2
191.10698	1.7
195.06554	25.6
203.10756	2.1
205.08719	1.0
207.06546	1.5
209.08095	13.4
211.13237	1.1
221.08218	1.8
223.09695	14.9
235.09697	3.1
237.11229	17.3
249.11238	11.2
251.12788	4.6
263.12817	2.4
265.14334	1.8
271.78696	1.2
279.16028	1.1
291.15814	1.9
293.17456	2.2
299.87677	1.0
307.19095	3.4
319.19186	2.6
333.20432	0.9
443.31436	5.0
461.32669	100.0
462.32825	3.9
479.33768	28.8
480.34460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.7
56.32549	0.7
57.03440	0.7
57.07076	1.9
58.69965	0.7
64.33679	0.9
67.05516	10.6
69.03421	1.0
69.07072	12.4
70.05599	2.9
79.05498	6.0
81.03420	1.7
81.07055	19.8
83.01313	1.2
83.08640	4.6
84.08938	0.9
85.06546	0.9
91.05493	3.0
93.07050	5.0
95.01322	1.7
95.05003	0.9
95.08611	15.3
95.09179	1.1
97.06521	1.1
97.10201	2.6
98.21413	1.0
99.00813	9.4
99.01398	1.0
99.04469	2.1
99.08141	1.0
105.07046	3.0
107.08585	4.4
109.02900	0.8
109.10149	8.1
111.08081	1.4
113.02424	1.0
117.01888	0.9
117.07032	1.5
119.08615	2.6
121.06532	1.3
121.10208	2.7
123.08083	1.3
123.11750	2.8
125.09608	1.1
129.07040	0.9
131.08597	1.9
133.06523	1.3
133.10153	3.2
135.04404	2.0
135.08153	0.9
135.11737	1.7
137.06001	2.1
137.13255	0.9
143.08617	1.0
145.10161	2.8
149.06030	1.9
149.09674	1.0
151.07559	1.3
152.13159	0.7
153.05486	3.0
155.07133	1.1
159.11644	1.6
161.05986	1.2
161.09624	1.4
163.03940	1.6
163.07558	1.8
164.30765	0.8
171.08124	1.6
173.13326	1.1
175.07605	1.9
175.11208	1.5
177.05507	5.9
177.09204	1.0
181.04958	12.4
183.06554	4.4
189.09103	13.7
191.07060	1.7
191.10794	1.0
193.12354	1.2
195.06540	27.3
195.08263	1.7
203.10745	2.7
205.08571	1.6
207.06552	2.1
209.08092	11.6
221.08177	1.3
223.09651	16.4
235.09772	3.0
237.11230	18.9
249.11215	12.5
249.13412	1.1
251.12791	4.7
258.80432	0.7
263.12811	4.9
265.14520	1.6
277.14432	1.1
291.16092	1.3
293.17566	1.6
295.46808	0.9
305.17581	1.5
307.19180	2.5
319.19147	2.5
322.65384	0.8
333.20837	1.3
443.31406	4.6
448.47537	0.8
461.32632	100.0
462.33130	3.2
479.33850	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	479.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95540	0.5
52.97664	0.5
53.03938	0.6
53.41549	0.6
55.01853	1.0
55.05513	11.3
55.15114	0.5
57.03426	0.8
57.07065	2.2
59.05013	0.6
65.03931	0.9
67.05184	0.9
67.05511	11.8
69.03426	0.6
69.07074	15.7
70.05019	1.2
70.05414	1.3
79.05502	6.1
81.03425	1.2
81.07060	22.1
83.01341	0.9
83.04990	1.1
83.08634	4.7
85.02908	0.8
85.06531	2.0
91.05491	4.3
93.07052	5.6
95.01337	1.1
95.04986	1.4
95.08616	14.9
97.06534	1.2
97.10154	2.0
99.00832	7.3
99.04460	2.2
99.08082	1.2
105.07043	3.4
106.68374	0.5
107.08598	4.4
109.02875	0.6
109.06506	1.7
109.10161	7.4
111.08073	1.6
111.11681	0.6
111.21780	0.6
113.02377	1.5
117.07054	1.3
119.04958	0.9
119.08569	3.7
121.06537	1.3
121.10144	3.0
123.04420	0.6
123.08027	1.1
123.11736	3.2
125.05973	1.2
125.09628	1.1
128.06160	0.6
131.08563	2.5
133.06497	1.2
133.10149	3.5
135.04395	1.3
135.08067	1.4
135.11694	1.9
135.72990	0.5
137.05963	1.8
137.09616	1.0
137.13228	1.6
143.08546	1.3
145.10109	2.0
147.08067	0.6
147.11685	1.2
149.05981	1.9
149.09631	1.2
149.13248	1.1
151.07574	1.3
151.11249	0.7
153.05440	3.2
155.07051	0.8
157.10077	1.4
159.11688	1.4
161.05981	1.1
161.09601	1.7
163.03967	1.1
163.07521	2.0
171.08025	1.7
173.13231	0.8
175.07559	2.5
175.11148	1.2
175.14862	1.0
177.05455	6.0
177.09108	1.1
177.12721	0.7
181.04964	12.7
183.06575	3.7
183.11691	0.6
185.13290	1.0
187.14827	1.0
189.09132	12.7
189.12779	0.6
191.07001	1.4
191.10582	0.7
193.12262	1.7
195.06543	26.8
197.13292	0.6
199.14758	0.6
201.12778	0.7
203.10703	2.6
205.08534	0.8
207.06560	2.1
209.06335	1.0
209.08119	12.1
211.13342	1.3
217.12315	1.4
219.10130	0.6
221.08159	1.3
223.07478	0.5
223.09673	14.8
235.09651	2.3
237.11241	16.1
237.14972	0.6
249.11241	13.4
251.12863	4.3
263.12845	3.9
265.14282	2.2
277.14346	2.3
291.15833	1.3
293.17410	0.9
303.05017	0.9
305.17456	1.6
307.18958	3.0
319.19022	1.9
333.20526	0.7
347.22192	0.6
379.25021	0.9
443.31390	5.6
461.32651	100.0
462.32932	3.9
479.33917	24.7
480.34085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3158
Annotation	Ditaxin
Peak:m/z	Relative Intensity
53.03953	3.5
55.05520	10.4
57.03442	5.4
57.07073	2.4
61.02928	1.7
63.14694	1.9
67.05512	28.2
69.03448	2.9
69.07071	13.7
70.03490	5.0
71.04973	2.2
79.05493	18.7
81.03408	10.4
81.07058	34.0
83.04992	4.5
83.08633	10.6
85.02927	7.4
85.06535	1.8
91.03973	2.2
91.05481	22.5
91.05962	2.1
93.07050	24.9
95.05000	7.6
95.08616	19.4
97.02895	2.7
97.06564	5.6
98.21469	2.4
105.07041	25.4
107.08608	32.5
109.06567	4.3
109.10155	10.0
111.08112	2.5
117.07060	7.5
119.08591	39.7
119.09370	2.7
121.06513	2.2
121.10147	18.5
123.08088	2.2
123.11772	3.8
128.06223	2.0
129.07039	5.3
131.08578	17.1
133.06567	2.5
133.10132	22.0
135.11746	7.8
142.07938	2.2
143.08589	9.8
144.09369	2.9
145.10126	18.3
147.08110	7.8
147.11719	16.2
149.09688	2.3
149.13280	9.6
151.11180	1.9
155.08646	4.9
156.09380	2.6
157.10141	11.6
159.11691	16.3
161.09680	6.3
161.13281	16.4
163.14879	4.0
165.09105	3.6
165.12842	2.1
167.10733	4.6
169.10147	6.5
170.10965	3.3
171.11670	8.6
173.13229	14.6
175.11226	4.4
175.14899	7.9
177.09204	2.6
177.12727	2.3
177.16515	1.9
179.10797	7.6
181.10098	2.4
183.11765	6.2
185.13240	12.0
187.14833	17.8
189.16473	3.4
191.10883	2.0
193.12242	13.2
195.11862	4.0
195.13864	2.3
197.13324	7.2
199.11430	2.0
199.14864	12.1
201.12971	3.1
201.16475	5.5
203.10831	2.0
207.11789	2.3
209.13283	4.1
211.13391	7.3
211.15079	3.6
213.16515	7.8
215.14389	2.0
219.13892	2.0
221.13438	3.0
221.15477	2.9
225.16501	4.6
227.14462	2.4
227.17844	2.2
233.15515	5.6
235.14867	2.8
235.31087	2.1
237.16447	2.4
239.18063	4.2
241.19649	5.1
245.15509	6.2
247.17065	4.1
251.18091	2.7
253.19725	4.9
259.17068	4.5
265.19534	2.1
267.21237	5.2
285.18655	4.1
297.18439	2.2
299.05710	2.1
299.20154	4.5
303.05182	3.6
307.28531	4.5
311.20334	3.0
313.21655	3.4
333.15289	2.8
338.27719	9.1
345.22028	2.3
373.29059	4.2
377.24808	2.5
401.28448	28.8
403.30359	2.3
419.29584	22.0
423.25415	3.4
433.31058	23.0
435.32935	2.9
447.28986	23.0
451.32208	3.7
461.29272	3.6
479.31540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63836	1.7
53.03939	7.0
55.01867	8.2
55.05513	29.9
57.03436	12.8
57.07084	3.4
62.13701	2.0
62.92923	1.7
65.03947	4.2
67.05510	83.7
69.03423	6.1
69.07076	29.6
69.11022	1.7
69.15545	7.2
69.15974	13.3
71.04978	8.2
79.05499	61.9
81.03420	58.5
81.07061	100.0
83.04983	17.6
83.08630	29.8
85.02908	25.1
85.06554	4.2
91.05487	54.8
93.07050	71.8
95.04970	33.3
95.08609	36.2
97.02919	2.1
97.06528	16.4
97.10156	5.2
99.08081	7.0
105.04530	2.0
105.06338	1.9
105.07036	38.0
107.04977	5.8
107.08606	38.6
109.06515	8.6
109.10141	12.1
111.04477	3.2
111.08101	19.1
117.07047	10.4
119.08582	29.0
120.50275	1.7
121.06502	4.5
121.10165	32.7
123.08057	4.2
123.11698	6.2
125.09676	5.7
125.77486	1.7
127.07529	2.4
129.07037	13.7
131.08578	24.7
133.06392	3.0
133.10143	20.7
133.43532	1.9
135.08131	2.8
135.11693	13.6
137.09641	4.2
139.11188	2.3
143.08585	3.1
145.10139	7.6
147.08119	3.4
147.11684	19.1
149.09628	6.8
149.13274	35.4
151.11182	2.3
157.10138	11.9
159.11722	18.6
163.11214	3.2
165.12770	3.7
171.11700	2.1
173.13266	3.6
175.11218	16.0
177.12775	6.9
191.14340	2.3
193.12257	62.3
194.12511	2.0
195.13823	11.3
201.16353	3.6
211.13287	64.7
237.18494	4.4
267.15994	4.0
269.17538	5.9
343.22833	2.3
369.24109	2.2
387.25134	5.1
461.28946	12.8
479.30029	88.5
480.30630	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.2
53.03958	8.4
55.01869	5.7
55.05515	30.4
57.03439	13.2
57.07060	2.6
59.04995	1.9
61.13452	1.8
65.03932	4.8
67.05508	79.3
69.03441	5.4
69.07073	26.7
69.25471	10.2
69.25901	7.0
71.04988	8.4
77.03916	1.6
79.05496	65.7
81.02937	2.2
81.03421	40.9
81.07061	100.0
83.04982	18.5
83.08625	27.5
83.62640	1.7
85.02910	22.6
85.06551	5.1
91.05484	62.4
93.07049	67.4
94.07401	1.9
95.04968	28.3
95.08615	30.0
97.02892	3.2
97.06539	14.3
97.10177	7.2
99.08119	5.8
105.04530	2.9
105.07028	39.2
105.07696	2.8
107.04961	7.8
107.08598	39.5
109.06537	7.7
109.10171	13.6
111.04504	2.5
111.08087	17.3
113.05999	2.4
115.05491	3.5
117.07028	13.1
119.08579	28.7
120.08936	2.6
121.06505	6.1
121.10142	31.9
123.08097	4.9
123.11731	7.6
125.09652	4.5
128.06203	2.1
129.06985	11.7
131.08575	23.0
133.06551	3.4
133.10147	23.4
135.08095	3.9
135.11713	8.6
139.11226	2.3
141.06958	2.9
142.07808	5.0
143.08652	3.5
144.85390	1.6
145.10153	7.4
146.10590	2.8
147.08003	2.8
147.11723	20.7
149.09639	9.3
149.13257	28.4
151.11171	2.7
155.08636	4.0
157.10112	9.9
159.11755	12.5
163.11230	3.0
165.12744	3.8
169.10141	2.0
173.13284	5.9
175.11235	13.6
177.12811	6.2
188.15079	2.3
193.12245	44.1
195.13795	9.2
197.13394	2.5
201.12915	2.2
201.16418	2.5
203.21149	2.1
206.16321	2.1
209.13341	2.2
211.13281	41.1
219.83281	1.7
267.15988	7.5
294.07584	2.1
303.04919	3.2
387.24866	2.5
444.31976	2.6
461.29028	7.4
461.35022	2.6
479.30234	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	479.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.1
53.03936	7.4
55.01866	4.1
55.05512	26.3
57.03430	12.5
57.07053	3.8
65.03941	4.1
67.05508	76.9
69.03425	5.0
69.07062	21.7
70.32281	3.2
70.32683	3.6
71.05009	8.4
71.05327	1.8
77.03914	1.8
79.05496	61.2
81.03418	37.4
81.07060	100.0
83.04977	14.1
83.08620	23.2
85.02914	23.3
85.06515	5.2
91.05485	55.3
93.07048	63.5
95.04976	23.0
95.08608	31.3
97.02917	3.8
97.06525	12.8
97.10188	4.7
97.91996	1.8
99.08105	6.6
105.04488	2.3
105.06332	2.2
105.07030	39.8
106.07353	2.4
107.04955	5.1
107.08598	35.4
109.02872	1.8
109.06508	6.6
109.10165	10.4
111.04464	2.2
111.08101	14.2
113.06007	3.4
116.02512	1.7
117.07008	9.7
118.27637	1.6
119.08585	25.2
120.08925	2.4
120.43871	1.9
121.06499	4.8
121.10146	24.1
121.86133	2.0
123.08089	4.4
123.11718	7.5
125.09587	4.5
128.06204	2.3
129.07018	12.1
131.08582	18.5
133.06531	2.1
133.10144	23.8
135.08052	3.6
135.11682	11.8
137.09604	3.4
139.11217	3.4
142.07764	3.4
143.08574	2.5
145.10094	9.9
147.08096	3.5
147.11711	15.6
149.09656	7.3
149.13280	23.2
151.11194	2.0
155.08514	2.3
157.10127	13.2
159.11688	14.0
161.13353	2.2
163.11174	3.1
163.14879	2.1
165.12828	3.9
169.10121	2.1
171.11707	2.8
172.52272	1.8
173.13307	2.5
173.35864	1.9
175.11238	10.9
177.12772	4.1
183.11696	2.0
185.13347	2.8
187.14880	4.1
193.12236	41.5
195.13814	7.6
199.14899	3.3
205.15991	2.4
211.13280	42.5
217.15872	2.2
223.16933	2.8
267.15955	6.3
269.17438	2.3
303.05167	2.5
326.84772	1.8
368.11365	2.1
369.24033	2.6
387.25104	3.3
425.34042	2.2
444.31805	4.3
461.28958	8.1
461.35013	4.0
479.30106	61.9
479.37103	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05494	2.0
57.03441	1.8
58.04640	0.9
62.44963	0.8
65.03934	1.9
66.04335	0.8
67.05502	5.3
69.03416	3.1
69.07064	2.5
70.94921	1.9
70.95282	0.9
77.81831	0.7
79.05499	8.1
81.03419	2.3
81.07062	5.6
83.04980	1.4
85.02895	2.4
87.04468	1.4
90.88582	0.9
91.05481	22.1
91.41498	0.8
93.07045	7.1
94.04193	4.7
95.04976	4.8
95.08597	3.8
97.02872	2.4
97.06522	1.4
103.05458	2.7
105.07064	6.1
107.04943	3.8
107.08598	4.3
108.05762	1.7
109.06562	4.6
109.10124	3.1
115.03915	2.2
115.05466	4.9
117.07034	6.2
119.04951	11.4
119.08565	3.0
121.06512	7.5
121.10130	2.8
122.03658	9.2
123.04444	1.5
123.08050	5.2
123.11684	1.7
125.09595	1.3
128.06203	3.8
129.07014	6.2
131.04950	2.8
131.08542	3.0
133.04985	3.2
133.06505	1.8
133.10127	1.7
135.08064	5.5
135.11685	1.3
136.05180	4.0
137.05980	100.0
138.06276	0.8
139.11174	1.1
143.04907	2.7
144.05716	1.0
145.06473	3.6
145.10114	2.5
146.07262	1.1
147.04391	3.2
147.08044	1.2
147.11626	1.1
149.05975	4.0
149.09593	2.8
149.13188	1.0
150.06731	0.8
151.03983	5.6
151.07544	65.0
153.06975	1.4
157.06485	3.5
157.10139	1.1
159.08035	1.5
159.11612	1.2
161.05983	24.2
161.09654	4.4
163.03911	0.8
163.07542	7.5
165.06975	3.3
165.09125	3.5
167.07088	1.0
167.08534	1.6
167.10626	0.9
174.06755	3.1
175.07520	6.9
177.06953	1.8
177.09120	9.0
178.07872	1.3
179.08513	1.4
181.06503	3.0
182.07217	1.2
187.07518	3.6
187.11191	0.9
187.14871	1.1
189.09119	14.6
190.07747	1.0
191.10658	2.0
191.14360	0.9
193.06569	1.8
194.07237	2.2
195.08163	2.8
195.10167	37.9
197.06029	1.5
197.09650	1.1
202.07744	1.3
205.06451	4.3
205.08598	2.2
207.08212	1.5
207.10138	8.1
209.05948	1.3
209.09668	1.2
210.06775	2.0
211.07581	2.3
212.04660	1.0
213.08946	1.3
219.08127	2.3
221.05968	2.6
222.06656	2.5
223.07486	1.4
224.08400	1.2
225.09151	1.8
227.06979	1.3
233.05995	2.8
234.06778	1.1
235.07504	2.5
237.09142	8.1
238.06242	1.6
239.07169	1.0
239.10556	1.0
240.07790	1.1
241.08537	2.0
245.09607	2.2
247.07480	1.7
249.09062	2.6
250.06184	1.8
251.07040	2.1
251.10551	1.1
253.08640	4.8
255.10075	1.5
261.09067	0.9
264.07779	1.1
265.08572	16.3
267.10168	3.3
268.07288	1.7
269.04904	1.0
269.08011	2.5
273.08926	1.7
273.11472	2.0
277.08530	1.6
277.12228	0.9
278.09537	0.9
279.06674	0.9
279.10080	3.3
281.08014	0.9
283.09583	8.2
284.10452	1.6
285.11206	9.8
296.10379	1.1
297.08356	0.7
297.11203	17.0
298.12314	1.1
299.12759	3.2
305.11594	2.2
309.11157	2.1
311.12778	10.9
317.13956	5.8
323.12689	3.6
337.14304	3.8
341.13870	2.3
355.15387	1.6
388.95526	0.9
403.15686	1.2
433.16574	1.3
435.17279	2.0
479.20367	4.2
479.26758	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.01862	0.7
57.03418	0.7
61.02907	1.4
69.03437	2.8
69.94323	2.1
81.03428	1.5
83.01322	0.6
85.02914	12.2
92.02624	1.6
93.03423	1.7
97.02916	3.1
99.04461	0.7
99.53837	0.5
109.02877	0.8
116.23049	0.5
119.16908	0.6
121.02846	1.2
127.03925	2.0
137.06000	0.8
139.03920	1.2
145.04971	1.0
147.04369	0.6
151.03925	0.7
151.07564	1.0
153.01845	9.1
154.18932	0.5
201.05513	1.0
217.04955	1.2
218.05768	1.6
219.02827	0.6
228.04176	1.2
229.05051	3.6
245.04395	1.0
246.05260	1.9
257.04556	2.3
273.03922	1.1
274.04730	4.3
284.03433	0.6
285.03940	4.4
301.35919	0.6
302.04257	13.7
317.06589	100.0
318.06876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01862	1.3
57.03422	2.6
60.38635	0.5
61.02919	4.0
69.03103	1.0
69.03436	14.7
70.64876	1.7
71.04981	1.8
73.02903	2.3
81.03427	5.8
81.03907	0.7
81.07046	1.0
83.01352	0.7
85.02911	22.4
87.04465	2.9
88.73119	0.6
91.03941	1.6
91.05479	1.7
93.07037	0.8
95.08625	0.7
97.02901	10.0
99.04455	1.7
101.06529	0.6
105.07034	0.9
109.02866	2.3
114.23568	0.6
119.04913	1.4
127.03910	5.5
133.10130	0.6
137.06026	3.0
145.04941	3.1
147.04419	5.3
151.07578	1.0
153.01839	1.3
161.06000	1.1
163.03958	1.5
182.08354	1.0
197.10773	4.1
200.09395	0.6
210.07883	2.5
210.85220	0.6
224.09360	0.8
225.10268	9.4
230.32198	0.6
238.07526	0.9
240.08958	1.8
242.10524	0.6
243.11285	0.7
253.09767	7.5
255.11400	1.8
257.09213	2.2
268.08417	0.8
271.10733	5.9
281.09256	3.3
294.29953	0.6
297.11057	0.6
299.10275	61.9
300.10635	1.1
302.04135	1.5
303.04965	1.4
317.06833	6.4
317.11325	100.0
318.11761	1.5
409.08472	0.6
479.16626	16.8
479.26697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0824
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
52.70296	0.3
55.01870	0.3
57.03430	1.1
67.01849	0.4
68.99789	0.8
69.03426	0.5
70.20352	1.0
71.01360	2.0
73.02924	3.2
75.04496	0.3
78.30750	0.2
85.02914	8.7
93.03421	0.5
95.01315	1.1
95.04967	0.5
97.02891	0.8
98.20800	0.3
99.00823	0.6
101.02366	0.4
101.27002	0.2
103.03927	0.8
109.02890	0.5
111.00794	1.3
113.02386	4.7
121.02865	1.1
131.03381	1.3
137.02356	4.4
139.96819	0.2
141.01862	1.4
149.02402	0.4
153.01859	4.0
159.02928	2.1
159.04066	0.3
161.05925	0.3
163.03909	0.8
165.01831	2.3
173.05980	0.7
183.02853	0.6
183.04408	0.5
187.04048	0.3
190.89606	0.3
191.07071	0.3
196.64696	0.3
201.05478	2.2
211.03954	0.4
213.05440	0.3
219.06572	0.3
229.04993	4.8
247.06117	0.7
257.04483	3.1
274.04770	0.7
285.04007	1.2
303.05017	100.0
304.05374	2.0
421.16177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03940	0.9
55.01865	0.5
55.05520	11.5
57.03200	0.5
57.03449	6.5
57.07071	1.7
58.02832	0.4
62.06078	0.5
65.03940	0.8
67.05511	25.3
68.38327	0.4
69.07074	13.8
71.04985	0.6
71.08611	0.7
79.05502	7.9
81.03405	0.4
81.07064	25.6
83.04982	1.3
83.08624	7.4
85.06544	0.7
91.05487	4.3
93.06496	0.5
93.07052	6.6
95.04971	0.8
95.08616	18.7
97.06531	1.5
97.10175	3.2
98.20782	0.8
99.08072	0.6
105.07019	3.7
107.08609	4.5
109.10165	7.7
111.08077	0.9
111.11685	0.8
113.06361	0.4
119.08575	2.9
121.10194	3.2
121.76333	0.4
123.08070	0.8
123.11721	2.1
124.01633	0.8
133.10172	2.4
133.10985	0.5
135.11714	1.4
137.13287	0.5
147.11716	2.0
153.90671	0.4
161.13266	0.9
163.14828	1.0
175.14809	0.8
198.05286	0.4
206.81865	0.5
216.06354	0.6
224.31764	0.5
245.22688	0.6
263.23706	1.2
284.08755	0.5
306.28064	3.1
337.27396	100.0
338.27661	2.7
341.43433	0.4
479.31091	0.7
488.22198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.41307	0.7
53.03949	1.2
55.01856	0.7
55.05273	0.9
55.05516	10.3
57.03448	3.8
57.07085	1.4
62.06091	30.9
65.03943	1.3
67.05508	28.9
69.07071	13.6
70.06715	2.7
71.08613	0.9
79.05495	8.4
81.07058	27.2
83.08622	5.7
91.05491	5.2
93.07046	11.0
95.05000	1.0
95.08610	21.9
96.08892	0.6
97.06508	1.3
97.10180	2.8
98.06025	0.8
98.98477	9.1
105.07018	3.0
107.08609	5.7
109.10155	9.6
111.08093	1.1
119.08598	3.5
121.10161	4.6
123.11702	2.3
124.01636	2.0
131.08606	0.7
131.28212	0.6
133.10121	3.4
135.11671	3.4
137.13286	1.5
142.02606	1.6
147.11687	2.2
149.13217	1.0
151.14868	0.6
155.01056	5.7
161.13280	1.0
163.14850	1.2
173.02161	1.5
175.14882	0.8
184.82518	0.7
198.05321	1.4
205.15973	0.6
216.06393	3.7
245.22627	2.9
263.23697	6.2
306.27914	13.2
319.26266	0.9
337.27374	100.0
338.27588	2.5
417.23947	1.2
454.63531	0.7
460.28183	3.6
460.35129	2.7
478.29544	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	477.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41988	4.5
53.03947	7.5
53.99744	4.2
55.01886	5.4
55.05517	23.2
57.03411	4.9
57.07068	8.2
65.03944	4.7
67.05499	32.8
68.71206	4.7
69.03432	7.8
69.07063	19.8
69.37858	37.9
69.66113	4.4
76.82856	4.3
79.05504	33.7
81.03428	6.7
81.07063	67.2
83.04970	14.3
83.08619	19.7
85.06526	7.0
91.00673	4.2
91.05480	42.2
93.07048	62.7
95.04962	8.3
95.08618	67.7
97.06525	8.6
97.10142	7.3
99.08083	12.9
105.07036	74.7
107.08611	74.9
109.06519	15.5
109.10164	31.6
111.08090	9.6
113.09567	5.7
117.07018	14.8
119.08582	87.2
119.78717	3.9
120.08864	4.3
121.06497	15.3
121.10168	58.7
123.08080	14.7
123.11710	10.1
125.09636	13.8
129.07039	5.8
130.07820	4.3
131.08577	44.7
133.06487	13.5
133.10139	65.1
135.08047	24.0
135.11694	29.5
137.09622	12.4
141.04797	4.7
143.08562	17.0
145.10144	54.3
147.08025	6.3
147.11687	48.7
149.09625	15.7
149.13263	17.9
151.11186	11.5
153.12727	5.1
155.08598	8.3
156.09332	8.8
157.10123	16.2
159.11687	39.2
161.09573	8.8
161.13258	21.3
163.11176	12.7
163.14839	15.9
165.12914	6.3
169.10146	6.7
171.11699	18.8
173.13286	34.1
175.11177	10.7
175.14856	29.6
177.12746	8.0
177.16429	13.4
183.11765	9.4
185.13254	16.2
187.14870	39.2
189.12779	9.7
189.16357	10.1
191.14249	17.4
193.16035	5.3
195.13625	5.0
197.13249	10.5
199.14803	13.2
201.12624	5.5
201.16418	37.1
203.14392	23.6
203.17902	10.0
205.15927	32.8
211.14864	5.5
213.16467	8.4
215.14386	4.9
215.17970	9.5
217.15909	5.1
219.17455	12.9
221.15343	12.4
223.16933	10.5
225.16557	5.3
226.35435	4.4
233.15410	10.6
235.16943	6.5
239.16418	18.5
273.94000	5.2
385.23743	8.8
389.26886	58.4
395.32367	5.1
404.32843	5.2
405.31549	15.5
423.32843	32.1
441.28763	6.4
441.33771	59.0
459.28436	7.1
459.34763	100.0
460.34897	16.7
477.29080	6.0
477.36099	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3582
Annotation	Oogoniol
Peak:m/z	Relative Intensity
55.01857	0.7
55.05515	7.6
57.07069	1.4
59.15656	0.7
61.55653	0.6
67.05512	6.6
69.03415	0.7
69.07074	4.1
79.05489	5.3
81.07053	9.0
83.05000	1.6
83.08612	4.8
91.05495	5.4
93.06554	0.9
93.07060	7.6
95.04956	1.8
95.08619	8.6
97.06526	1.5
97.10158	2.3
98.21641	1.3
99.08131	0.8
105.07037	6.3
107.04960	1.1
107.08602	9.1
109.06528	2.1
109.10160	8.7
111.08115	1.2
117.07016	1.4
119.08604	6.2
121.06512	1.4
121.10155	8.2
123.08083	2.2
123.11709	2.4
125.09598	3.2
131.08566	2.3
133.06508	1.0
133.10139	9.8
135.08058	1.6
135.11653	3.2
137.06007	4.2
137.09599	1.9
139.07590	0.7
143.08574	1.1
145.10117	7.1
147.08041	1.8
147.11694	2.9
149.09633	2.7
149.13284	2.2
151.07556	10.6
151.11180	1.0
157.10136	1.1
159.11725	3.7
161.09665	1.7
161.13293	3.3
163.11203	2.8
163.14883	3.5
165.09111	1.2
169.08751	0.7
173.13319	0.9
175.11282	0.7
175.14851	2.3
177.12695	1.1
177.16417	2.6
183.11693	1.0
185.13295	1.6
187.14809	10.4
189.12793	0.7
189.16432	0.8
191.14346	0.8
197.13287	0.9
199.14883	0.9
201.12785	1.1
203.14322	3.3
205.15884	8.8
215.14156	1.0
221.15369	16.1
223.16934	3.7
239.16443	1.1
306.28018	1.9
337.27274	0.9
367.22592	0.9
377.26559	1.1
385.23749	2.7
389.26904	40.4
403.28558	2.5
405.31714	1.0
423.32480	1.1
441.33649	2.4
459.34705	100.0
460.35043	4.4
477.14923	1.1
477.29309	5.1
477.35721	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	477.3586
Annotation	28-Homodolichosterone
Peak:m/z	Relative Intensity
51.90792	3.8
53.03944	13.2
55.01866	14.2
55.05279	5.2
55.05518	77.5
57.03419	15.2
57.07061	5.9
67.05511	77.7
69.03436	12.0
69.07080	27.8
70.00424	17.6
71.04984	12.1
78.80070	4.4
79.05073	5.9
79.05499	74.3
80.05814	4.1
81.03431	74.9
81.07072	97.2
81.21120	4.6
83.04967	17.8
83.08627	46.3
85.02897	12.2
85.06543	6.5
91.05492	72.6
93.07053	75.1
94.24654	3.8
95.04981	35.8
95.08614	71.3
97.06525	12.6
97.10175	50.1
99.08101	11.1
105.07041	100.0
107.04971	32.5
107.08610	73.3
109.06503	22.5
109.10158	41.6
111.08067	18.5
113.06037	4.2
113.09628	5.2
117.07013	22.8
119.04913	7.4
119.08598	69.4
121.06541	34.3
121.10158	47.3
123.04502	5.8
123.08076	15.6
123.11715	17.3
125.09638	36.6
128.06261	6.3
129.07025	22.2
131.08583	50.4
133.06483	16.4
133.10147	50.2
135.08060	19.7
135.11705	20.2
137.05992	8.7
137.09639	9.9
137.13321	4.7
139.11166	5.9
141.06985	5.4
142.07790	5.4
143.08542	19.0
145.06470	14.5
145.10156	34.9
147.04413	8.7
147.08054	9.0
147.11699	51.4
149.05980	3.9
149.09610	11.2
149.13260	11.0
151.07426	5.3
151.11179	8.9
153.09128	6.8
155.08548	11.1
157.06543	5.0
157.10147	24.1
159.08078	7.8
159.11685	34.7
161.06012	6.0
161.09605	14.6
161.13232	15.9
163.07529	5.2
163.11180	19.7
163.14738	10.5
165.12723	10.8
169.10144	5.1
171.10300	5.5
171.11697	14.5
172.08771	4.3
173.09679	5.4
173.13263	19.6
175.11197	22.9
175.14850	10.9
177.12767	9.5
180.03065	4.0
183.11728	6.1
185.09578	5.6
185.13286	16.5
187.11140	8.3
187.14812	23.9
189.11234	22.5
189.12758	8.9
189.16335	5.8
191.14282	7.5
193.12248	40.1
195.11607	6.5
197.13216	14.5
199.11159	7.6
199.14783	8.9
201.16391	13.9
203.14313	14.7
205.12177	5.6
205.15881	11.8
207.13770	6.6
211.13249	19.0
213.12740	4.3
213.16298	7.7
215.14299	11.9
223.13185	5.8
227.12730	7.6
231.13762	5.2
233.15405	12.2
235.17084	4.0
235.94905	4.1
237.12715	5.5
237.16505	5.2
239.16383	5.8
241.14453	6.3
249.07558	4.6
267.15927	9.7
273.14868	15.2
339.23166	10.4
349.21655	11.2
350.22037	4.8
357.24332	7.6
367.22653	41.8
385.23819	79.8
387.30191	4.1
389.26822	5.1
403.24689	15.9
411.32608	7.1
423.32449	15.1
441.33957	10.4
459.27115	43.0
459.34537	30.5
460.27399	4.9
477.28424	69.0
477.35272	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	477.3583
Annotation	Oogoniol
Peak:m/z	Relative Intensity
55.01888	3.2
55.05276	3.0
55.05515	29.8
57.03445	3.1
57.07082	5.8
64.20183	2.3
67.05513	27.3
69.03424	5.1
69.07072	21.6
69.84857	14.1
71.04994	3.3
77.87229	2.6
79.05494	35.0
81.03401	2.7
81.07065	53.9
83.04987	4.9
83.08629	17.1
85.06505	3.0
88.49008	2.4
91.05489	39.6
93.06499	3.5
93.07054	67.6
95.04965	10.3
95.08617	51.5
97.06537	7.6
97.10173	6.7
98.21409	3.5
99.08086	16.4
105.07039	66.8
107.04960	4.0
107.08605	82.6
109.06509	14.4
109.10159	31.8
111.08087	5.9
115.05428	3.4
117.07027	14.9
119.08591	85.8
121.06503	14.2
121.10158	52.0
122.10517	2.7
123.08057	14.6
123.11738	8.4
124.52879	3.6
125.09619	10.1
128.06247	2.7
129.07001	4.5
131.08578	53.2
133.06526	5.5
133.10153	59.0
135.08054	27.2
135.11710	22.6
137.09616	12.8
139.11197	3.9
142.07837	2.8
143.08585	17.9
145.10135	56.6
147.08057	7.8
147.11703	48.5
149.09608	11.0
149.13246	19.3
151.07617	3.2
153.09184	2.6
156.09294	2.8
157.10141	21.7
158.10980	5.9
159.11716	48.6
161.09642	13.4
161.13255	23.8
163.11188	10.9
163.14818	22.1
169.10135	8.1
170.10881	3.4
171.11707	14.2
172.12434	2.8
173.09660	3.2
173.13278	37.8
175.11214	3.3
175.14853	31.5
177.12781	6.1
177.16426	13.9
181.12149	2.9
183.11757	8.6
185.13263	20.9
187.11159	3.3
187.14844	57.8
189.12721	5.7
189.16446	7.9
191.14304	22.1
193.12302	4.7
195.11761	4.0
197.13171	4.1
199.14868	11.9
201.16397	45.1
203.14351	39.4
203.17928	7.5
205.15904	45.1
209.13324	4.9
211.14938	4.7
213.16408	8.5
215.14384	4.9
215.17958	9.4
217.16013	6.7
219.17494	10.5
221.13379	3.8
221.15338	20.9
221.94057	2.4
223.15009	3.2
223.16937	16.1
225.16350	5.0
227.12860	9.6
229.15962	6.8
231.17479	5.1
239.16389	59.4
243.17468	3.7
253.19606	2.7
255.21072	3.4
280.91467	2.6
353.24734	4.0
367.22516	3.6
385.23523	5.6
387.30505	4.1
389.26907	49.3
393.31735	6.4
405.31491	15.6
411.32587	5.4
423.32742	33.6
434.21585	2.9
441.33859	46.7
459.34750	69.1
477.28574	11.2
477.35721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3579
Annotation	Oogoniol
Peak:m/z	Relative Intensity
50.03296	3.8
53.03958	4.8
55.01865	16.8
55.05512	59.4
57.03432	7.1
57.07089	4.4
65.03921	4.8
67.05509	62.6
69.03419	12.6
69.07069	27.3
69.44855	17.3
69.45263	10.7
71.04998	5.9
71.71458	4.7
78.52904	3.8
79.05495	59.7
80.79937	3.1
81.03413	22.0
81.07056	72.1
83.04987	15.5
83.08618	37.6
85.06544	10.7
91.05479	56.2
93.07047	70.4
95.04971	27.1
95.08611	67.2
97.06511	13.4
97.10178	39.2
99.08088	21.0
105.07037	74.5
107.04973	20.0
107.07887	7.1
107.08594	100.0
109.06541	20.5
109.10156	47.8
111.08069	16.0
113.09596	4.8
117.06995	19.0
119.08578	90.5
121.06517	29.2
121.10143	44.5
122.10646	4.3
123.08083	17.4
123.11691	12.1
125.09634	27.2
127.07567	6.3
128.06316	5.0
129.07022	15.6
130.07915	4.8
131.04921	6.7
131.08572	43.9
133.06532	20.7
133.10135	71.6
135.08089	31.5
135.11687	24.7
136.48039	4.6
137.09637	36.7
139.11153	6.0
141.07039	5.3
142.07787	6.5
143.08546	18.4
145.06509	15.7
145.10141	55.8
145.52567	3.8
147.08037	14.4
147.11696	35.5
149.09634	14.7
149.13268	15.3
151.11154	5.8
153.09105	6.6
154.07706	3.8
155.08549	10.2
157.06516	3.7
157.10156	24.9
159.08075	4.9
159.11687	43.6
161.09601	10.6
161.13281	21.6
163.11179	15.4
163.14839	14.3
165.09331	4.3
165.12793	7.4
167.08495	4.3
169.10133	9.2
171.11694	17.2
173.09651	6.8
173.13277	35.5
175.07422	4.9
175.11211	12.0
175.14813	24.5
177.12737	6.5
177.16406	10.9
183.11714	12.9
185.13280	17.1
187.14822	48.8
189.11244	15.9
189.12755	10.1
189.16454	8.1
191.14284	16.3
193.12225	11.8
195.11711	4.9
197.13231	6.8
199.11209	8.0
199.14883	11.2
201.16409	23.6
203.10638	4.9
203.14227	20.8
203.17801	4.6
205.12126	6.0
205.15900	66.7
213.12804	4.2
213.16393	7.2
215.14336	12.6
217.12367	9.1
217.15948	6.5
219.17426	10.2
221.15302	11.5
223.13388	5.0
223.16949	33.8
225.16467	4.6
229.15921	12.6
233.15401	10.3
239.16454	17.2
243.13704	4.1
243.17407	8.3
255.13788	5.2
259.13205	4.2
267.15842	5.9
273.14914	11.4
335.23471	4.9
339.23444	5.6
346.07544	4.1
349.21527	13.5
357.24072	8.4
367.22574	23.8
385.23706	60.5
389.26859	76.9
393.31796	5.6
403.24597	13.7
405.31699	14.4
411.32681	5.2
423.33289	18.2
441.33548	21.8
459.27560	26.0
459.34500	38.3
477.27866	30.0
477.34186	6.5
477.35941	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	477.3584
Annotation	Oogoniol
Peak:m/z	Relative Intensity
51.41988	4.5
53.03947	7.5
53.99744	4.2
55.01886	5.4
55.05517	23.2
57.03411	4.9
57.07068	8.2
65.03944	4.7
67.05499	32.8
68.71206	4.7
69.03432	7.8
69.07063	19.8
69.37858	37.9
69.66113	4.4
76.82856	4.3
79.05504	33.7
81.03428	6.7
81.07063	67.2
83.04970	14.3
83.08619	19.7
85.06526	7.0
91.00673	4.2
91.05480	42.2
93.07048	62.7
95.04962	8.3
95.08618	67.7
97.06525	8.6
97.10142	7.3
99.08083	12.9
105.07036	74.7
107.08611	74.9
109.06519	15.5
109.10164	31.6
111.08090	9.6
113.09567	5.7
117.07018	14.8
119.08582	87.2
119.78717	3.9
120.08864	4.3
121.06497	15.3
121.10168	58.7
123.08080	14.7
123.11710	10.1
125.09636	13.8
129.07039	5.8
130.07820	4.3
131.08577	44.7
133.06487	13.5
133.10139	65.1
135.08047	24.0
135.11694	29.5
137.09622	12.4
141.04797	4.7
143.08562	17.0
145.10144	54.3
147.08025	6.3
147.11687	48.7
149.09625	15.7
149.13263	17.9
151.11186	11.5
153.12727	5.1
155.08598	8.3
156.09332	8.8
157.10123	16.2
159.11687	39.2
161.09573	8.8
161.13258	21.3
163.11176	12.7
163.14839	15.9
165.12914	6.3
169.10146	6.7
171.11699	18.8
173.13286	34.1
175.11177	10.7
175.14856	29.6
177.12746	8.0
177.16429	13.4
183.11765	9.4
185.13254	16.2
187.14870	39.2
189.12779	9.7
189.16357	10.1
191.14249	17.4
193.16035	5.3
195.13625	5.0
197.13249	10.5
199.14803	13.2
201.12624	5.5
201.16418	37.1
203.14392	23.6
203.17902	10.0
205.15927	32.8
211.14864	5.5
213.16467	8.4
215.14386	4.9
215.17970	9.5
217.15909	5.1
219.17455	12.9
221.15343	12.4
223.16933	10.5
225.16557	5.3
226.35435	4.4
233.15410	10.6
235.16943	6.5
239.16418	18.5
273.94000	5.2
385.23743	8.8
389.26886	58.4
395.32367	5.1
404.32843	5.2
405.31549	15.5
423.32843	32.1
441.28763	6.4
441.33771	59.0
459.28436	7.1
459.34763	100.0
460.34897	16.7
477.29080	6.0
477.36099	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16417	3.3
54.19180	3.6
55.01866	17.3
55.05516	73.1
57.03438	19.9
58.69001	4.4
62.55039	3.4
67.05505	59.8
69.03429	10.8
69.07059	15.8
71.01463	8.8
71.04991	4.8
79.05087	5.8
79.05500	80.0
81.03423	54.5
81.07059	59.3
83.04967	13.0
83.08624	42.6
91.05486	63.2
93.07054	39.3
95.04967	35.9
95.08618	33.6
97.06535	9.9
97.10177	55.1
99.08064	6.2
105.07036	39.6
107.04959	45.6
107.08608	38.1
109.06540	9.8
109.10170	19.4
111.04393	5.1
111.08117	7.8
117.07046	24.4
119.04929	4.8
119.08585	25.1
121.06510	37.1
121.10162	21.1
123.04472	5.0
123.08076	13.0
125.05925	5.2
125.09628	33.5
128.06255	4.4
129.07051	26.6
131.04959	9.7
131.08586	27.2
133.06563	19.5
133.10095	12.7
135.08058	19.7
141.06992	7.4
143.08551	14.4
145.06522	25.3
145.10135	13.7
147.04417	4.1
147.08054	16.5
147.11691	15.6
149.09628	11.4
153.09093	13.5
155.08575	10.6
157.06561	4.7
157.10117	18.8
159.08049	10.1
159.11725	12.6
161.05934	6.6
161.09637	8.7
163.11200	6.2
169.10115	8.3
171.08047	5.3
171.10185	7.1
171.11678	10.9
173.09659	8.3
175.11208	7.2
181.10127	7.9
185.13237	4.4
187.11102	5.6
187.14792	6.4
189.09315	4.8
189.11218	20.8
189.12732	5.2
193.12242	38.7
197.13411	5.5
199.11165	9.4
211.13235	6.8
213.12775	8.9
215.14258	12.5
217.12257	5.6
227.12793	15.2
233.15364	16.0
243.14078	4.7
245.15556	8.1
250.13385	4.3
266.67105	4.3
267.15851	24.6
273.14816	18.3
275.16287	6.4
339.23212	11.0
341.20984	7.2
349.21677	19.7
357.24237	15.5
367.22714	63.7
385.23767	92.1
403.24869	35.8
433.25763	9.7
441.26120	14.8
459.27414	100.0
459.33789	7.9
477.28616	66.5
477.35004	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	477.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.8
55.01873	13.7
55.05518	81.2
57.03448	16.9
62.30584	3.3
64.96750	2.8
65.03940	4.4
65.46526	2.8
67.05513	88.8
69.03422	12.6
69.07076	22.8
71.04987	11.0
77.03954	3.1
79.05501	93.5
81.03423	89.4
81.07061	79.1
83.04987	22.4
83.08624	54.6
85.02914	16.0
85.06552	4.3
88.28423	2.9
91.05492	98.3
93.07053	52.2
95.04980	50.3
95.08624	33.1
97.02879	5.8
97.06542	13.5
97.10170	46.5
103.05463	3.9
105.04504	4.4
105.07041	68.5
107.04964	47.5
107.08607	46.5
109.06514	12.4
109.10173	21.1
111.04427	7.0
111.08116	15.4
113.06020	4.2
115.05472	8.6
116.06188	3.0
117.07019	21.9
119.08604	49.3
121.06528	34.4
121.10156	17.1
123.04404	3.8
123.08108	14.8
123.11713	5.2
125.09650	44.1
128.06236	5.8
129.07018	32.5
131.04915	7.5
131.08571	37.5
133.06505	18.6
133.10149	25.4
135.08081	18.5
135.11679	7.6
137.05936	3.2
137.09592	6.2
141.07010	6.8
142.07808	6.1
143.08557	16.9
145.06512	21.8
145.10153	18.6
147.04433	8.3
147.08008	17.0
147.11708	28.5
149.09637	13.8
151.07574	3.3
151.11182	6.1
153.09109	11.2
153.12810	3.3
155.08514	6.6
157.06503	8.4
157.10129	25.3
159.08066	5.4
159.11717	8.7
161.09618	6.6
161.13351	4.1
163.11198	10.3
165.12700	4.9
167.08592	6.3
169.10129	6.7
171.08109	6.9
171.10278	5.3
171.11742	8.4
173.09610	4.6
173.13193	6.0
174.14923	2.8
175.07512	3.9
175.11234	25.8
177.12749	4.4
183.11684	4.2
185.09622	4.5
185.13266	9.3
187.11206	7.5
187.14764	4.8
189.11220	24.3
189.12753	5.5
193.10422	4.9
193.12254	75.6
195.11739	6.8
199.11209	6.5
203.10838	3.0
203.14401	5.1
205.12344	5.6
205.15958	3.3
209.09755	3.7
209.13184	3.1
211.13289	29.4
211.15111	4.1
215.14325	9.3
217.12253	5.7
221.13402	3.1
223.13179	5.2
227.12785	10.8
231.13901	3.6
232.46780	2.9
233.15356	16.3
235.13297	3.3
237.12599	3.3
241.14421	6.3
249.14900	6.7
255.13759	6.9
257.15381	2.9
259.13358	5.4
267.15976	20.7
269.15164	3.3
271.16992	2.6
273.14926	21.0
291.15970	5.0
331.82401	2.7
337.87207	2.8
339.23163	9.0
349.21774	21.2
357.24277	12.3
367.22745	50.8
385.23764	100.0
403.24805	27.5
433.25836	6.0
441.26160	9.5
441.33099	2.9
459.27454	88.5
460.28036	3.5
477.28436	91.3
478.28610	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	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	22.8
55.05273	6.3
55.05514	68.8
55.52750	3.7
57.03422	12.6
65.03926	4.6
67.05502	83.4
69.03415	16.7
69.07067	24.6
71.04993	7.8
79.05497	81.9
81.03417	70.0
81.07058	69.1
83.04958	12.2
83.08617	48.7
85.02900	6.8
85.06564	4.6
91.05486	66.8
93.07043	45.2
95.04971	40.2
95.08610	42.8
97.06509	10.0
97.10165	45.4
105.07037	49.6
107.04955	52.2
107.08586	40.1
109.06514	16.9
109.10155	24.5
110.36033	4.7
111.04470	6.3
111.08083	17.0
114.18449	3.8
117.07028	19.6
119.04928	9.6
119.08590	39.4
121.06515	38.4
121.10123	17.9
123.04489	4.9
123.08063	18.5
123.11644	8.5
125.09626	44.4
128.06207	4.4
129.07005	29.3
131.04980	11.9
131.08563	30.6
133.06488	15.4
133.10149	21.8
135.08044	17.9
135.11681	8.7
137.06039	4.3
137.09610	7.0
139.11169	6.9
141.06969	6.6
142.07846	5.8
143.08580	20.0
145.02800	4.6
145.06517	24.8
145.10103	20.0
147.04373	5.4
147.08063	18.4
147.11693	17.1
149.09578	17.7
150.09135	5.6
151.07489	4.3
153.09113	9.4
155.08562	10.3
157.06506	8.9
157.10109	13.0
159.08041	10.1
159.11684	15.2
161.05923	6.5
161.09573	11.3
163.03915	9.0
163.11157	9.3
169.10080	7.6
171.10193	8.8
171.11710	14.5
173.09631	6.8
173.13245	10.0
175.11172	15.0
177.12735	4.4
185.09561	7.0
185.13292	11.0
187.11226	4.4
187.14877	9.7
189.09001	4.9
189.11218	16.6
189.12730	5.1
191.14427	4.5
193.12247	40.8
197.13228	10.1
199.11166	7.3
203.14268	9.1
205.12181	7.1
205.15802	4.5
211.11285	6.0
211.13283	12.2
215.14369	7.1
217.12195	5.7
221.13385	5.4
227.12628	19.5
229.35202	4.7
231.13918	5.4
233.15253	24.1
249.14812	5.7
259.13611	4.1
267.15967	27.1
273.14886	15.3
323.20117	5.4
339.23193	6.5
341.21149	7.1
349.21634	17.0
357.20242	4.5
357.24216	20.4
364.13943	4.4
367.22690	45.2
383.15189	4.9
385.23761	89.4
403.24881	38.1
415.24902	4.7
433.25745	10.0
441.26083	4.8
459.27383	100.0
459.33884	7.8
460.27570	5.7
477.28485	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00933	2.5
53.03942	11.4
55.01867	12.3
55.05279	4.5
55.05517	54.4
55.30694	2.4
55.44127	2.3
57.03428	9.7
57.07074	3.4
58.21558	2.5
59.04993	3.6
61.74929	2.4
65.03928	4.9
67.05511	52.6
69.03427	8.7
69.06799	2.2
69.07077	24.8
69.33849	12.2
69.34273	8.9
71.04977	10.4
79.05497	67.5
81.02998	4.2
81.03429	54.2
81.07064	76.4
83.04997	19.3
83.08625	43.9
85.02887	9.0
85.06538	7.0
91.05490	73.1
93.06493	4.0
93.07052	59.0
94.12845	2.4
95.04980	34.8
95.08616	57.4
97.06551	12.9
97.10164	26.9
98.20711	4.5
99.08073	10.1
105.07040	60.0
107.04959	25.2
107.08613	58.9
109.06513	14.7
109.10163	23.3
111.04486	2.8
111.08125	21.3
113.09680	5.0
115.05527	3.2
117.07043	18.2
119.08595	55.5
120.08959	3.1
121.06508	17.5
121.09336	3.7
121.10158	39.3
123.08095	16.0
123.11688	9.6
125.09637	18.1
128.06198	3.9
129.07022	25.5
131.04892	2.7
131.08586	34.4
133.06464	10.2
133.10147	41.0
135.08069	25.0
135.11665	14.3
137.09636	14.3
139.11217	7.1
141.07004	3.4
142.07770	5.5
143.08569	9.2
145.06520	14.0
145.10121	29.2
147.08025	7.5
147.11685	36.0
149.09625	36.6
149.13275	9.5
151.11163	3.3
153.09087	6.1
154.07880	2.7
157.10123	27.1
159.08102	3.7
159.11699	19.3
161.09592	8.5
161.13255	7.9
163.11171	12.7
163.14809	3.2
165.12791	4.9
169.10059	6.1
171.10292	3.8
171.11610	13.0
173.09575	5.7
173.13274	14.5
175.11205	15.4
175.14824	9.2
177.12764	8.8
177.16441	4.3
183.11594	3.7
185.09727	3.4
185.13309	9.2
187.11211	3.8
187.14828	17.9
189.11243	8.0
189.12769	4.8
189.16374	7.6
191.14352	8.1
193.10481	3.9
193.12239	40.0
195.11649	4.3
197.09619	3.4
197.13240	5.9
199.11284	4.1
199.14848	4.8
201.16438	6.5
203.14323	10.0
205.12404	3.3
205.15875	18.5
211.13222	18.2
213.12770	3.4
213.16277	4.9
215.14360	6.6
217.12346	3.1
217.15840	5.0
219.17499	9.2
221.15369	3.1
223.16934	4.0
225.16438	2.8
227.12778	12.9
231.13976	2.8
233.15350	9.4
237.12714	4.3
241.19351	3.2
249.14912	3.9
255.13605	2.7
267.15924	19.6
273.14822	9.7
281.17255	3.6
335.23834	2.8
339.23203	6.0
349.21579	11.0
357.24045	5.3
367.22568	21.7
385.23767	35.8
389.26883	20.1
393.31561	4.0
395.32596	3.6
403.24734	13.0
405.31427	9.3
423.32437	10.3
433.26099	4.1
441.27017	2.5
441.33914	20.0
442.34021	3.4
459.27374	43.5
459.34586	100.0
460.27386	4.7
460.34317	2.7
477.28375	46.5
477.35440	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	477.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74713	1.6
70.29325	4.0
81.03426	3.0
85.02908	3.7
89.03930	5.4
97.02915	2.5
105.07001	2.7
107.04972	2.9
109.02905	2.6
117.03398	5.8
123.04413	2.2
127.03921	1.8
133.06453	3.3
135.04422	13.5
145.02934	8.8
147.04518	2.2
153.01855	5.7
161.06015	4.9
162.06302	3.8
163.03914	100.0
181.04996	2.8
193.08669	3.6
194.08957	3.9
259.02686	1.8
315.05011	2.3
325.09341	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	26.3
57.07079	9.5
62.06101	31.6
62.63728	8.1
66.48776	7.8
67.05508	46.0
69.07081	20.7
75.36045	9.3
77.13031	8.1
79.05485	43.3
80.77812	9.4
81.07059	73.7
83.05012	10.2
83.08651	22.0
83.21751	9.7
91.05508	38.8
93.07051	77.8
94.07430	11.5
95.08614	69.5
95.70815	7.9
96.08958	17.0
97.06586	11.3
97.10176	11.4
99.08117	23.7
102.68092	8.8
105.07040	100.0
106.07376	24.0
107.08598	85.0
108.08962	14.2
109.06524	14.3
109.10182	43.9
110.10512	18.6
117.07067	16.9
119.08585	63.5
120.08925	20.5
121.10169	62.9
122.10493	16.3
123.11731	22.0
125.09624	12.7
131.08607	40.6
132.08948	12.4
133.06468	9.0
133.10138	65.7
134.10513	11.3
135.08081	11.3
135.11740	36.8
136.12045	16.9
137.09634	13.9
139.11215	15.1
143.08588	31.5
145.10138	59.1
146.10553	17.1
147.11720	33.8
148.12004	13.1
149.09653	11.6
149.13280	15.4
157.10240	19.3
159.11722	38.6
160.12111	11.4
161.13304	28.6
164.74664	8.5
167.10670	12.5
169.10199	11.7
171.11768	28.7
173.13306	35.2
175.14886	34.5
176.15077	9.9
183.11763	13.1
185.13319	35.2
187.14890	40.3
188.15164	15.7
189.16377	15.5
191.14319	12.6
197.13268	12.8
199.14870	21.4
201.16434	15.7
203.14412	24.4
204.14865	10.6
205.15971	38.8
206.16371	14.7
209.13408	8.2
218.16434	8.3
223.15123	10.0
223.17059	37.5
230.16359	11.5
234.15913	11.1
246.19324	10.1
251.16570	11.2
322.90540	10.5
335.25879	66.6
394.31467	12.6
405.31735	16.6
422.31662	20.5
423.32614	37.2
430.34280	18.0
440.32483	39.1
441.33682	91.9
458.33578	94.6
459.34775	28.3
476.34793	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77546	0.6
53.03942	1.5
55.05516	7.7
55.71122	0.5
57.03448	6.0
57.07060	1.0
62.06076	0.8
65.03934	0.6
67.05510	29.0
69.06734	0.8
69.07076	7.3
70.49912	1.9
71.05000	0.7
75.66115	0.7
79.05495	13.9
81.07059	23.5
83.04967	0.8
83.08632	2.8
91.05484	7.5
93.07053	17.1
94.07345	0.8
95.04964	1.7
95.08617	19.9
97.06508	0.7
97.10194	0.8
99.08115	1.1
105.07033	5.1
107.08611	7.6
109.06557	1.1
109.10163	7.8
111.08052	0.7
117.07004	1.4
119.08582	4.5
120.08922	1.2
121.10141	5.7
123.08056	0.9
123.11745	1.6
131.08569	2.6
133.10155	3.0
135.11710	3.6
145.10112	1.3
147.11662	1.5
149.13281	1.8
159.11705	1.8
160.12122	0.6
161.13260	1.2
165.42867	0.6
173.13303	1.8
187.14865	0.7
205.15916	0.9
219.03503	0.6
261.22098	0.7
304.26285	1.8
335.25815	100.0
336.26141	1.5
401.60773	0.6
440.32416	1.1
458.33466	4.7
476.34543	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	476.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47597	4.6
55.05502	8.2
59.05001	3.7
67.05499	14.5
69.07071	11.8
69.36872	6.4
69.37204	31.0
71.65396	4.2
79.05499	11.0
81.07048	20.5
83.08617	5.8
91.05486	17.6
93.07040	27.8
95.04979	6.9
95.08615	31.5
98.34602	4.2
99.08106	29.8
105.06391	7.3
105.07033	64.8
106.07365	6.7
107.08607	41.1
108.08931	6.4
109.06572	5.4
109.10178	25.3
111.08075	5.0
117.07008	5.7
119.08592	46.1
120.08956	4.5
121.06429	5.0
121.10146	38.5
122.10486	7.5
123.11676	13.0
127.07579	3.9
129.06969	9.2
131.08591	37.1
133.06471	8.2
133.10132	41.5
134.10503	9.1
135.08124	5.2
135.11725	10.1
136.12041	4.9
143.08575	13.7
145.10147	35.5
147.08009	6.9
147.11714	28.7
148.12009	4.9
149.09628	8.8
149.13249	10.0
157.10149	15.0
159.11729	24.8
160.12073	7.9
161.13284	18.8
162.13486	3.8
163.11273	4.3
163.14827	10.6
171.11726	12.1
173.13222	21.8
175.14844	23.8
177.16402	9.2
183.11731	9.9
185.13312	16.2
187.14784	23.6
188.15137	7.1
189.16307	4.8
197.13110	5.1
199.14780	19.1
201.12769	7.6
201.16394	7.6
202.16693	4.3
203.14363	22.0
205.15913	32.8
206.16208	5.2
207.17346	6.3
213.16394	10.1
215.14357	4.1
219.13905	4.0
223.16949	28.2
239.18065	4.6
240.37489	4.1
249.69960	4.3
401.18790	4.5
405.31589	14.5
422.31464	7.4
423.32581	18.8
440.32224	12.4
441.33694	100.0
442.34363	5.3
458.33548	48.0
459.34732	47.0
476.34680	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05515	9.3
57.03438	4.9
59.31043	1.0
62.06091	38.8
63.36743	0.9
65.03913	1.2
67.05511	28.8
69.07074	7.4
69.77501	5.8
79.05498	19.4
81.07062	26.6
83.08636	4.2
85.77576	1.0
91.05489	10.9
93.07050	24.7
95.04969	2.1
95.08605	23.3
95.09175	1.5
97.06531	1.5
98.98467	11.2
99.08098	1.9
105.04598	1.4
105.07051	9.4
107.08600	13.4
109.06565	1.9
109.10150	9.2
111.08119	1.8
117.07044	2.8
119.07866	2.0
119.08574	8.2
121.10165	10.7
123.08129	1.2
123.11753	2.8
124.01658	2.1
131.08580	4.6
133.10139	8.7
135.10739	1.2
135.11717	4.9
137.09668	1.5
137.13326	1.2
145.10114	4.2
147.11726	3.6
149.13295	3.3
149.71040	1.1
155.01086	2.8
157.10197	1.9
159.11717	3.3
161.13231	3.3
163.14877	2.2
171.71931	1.1
173.02159	3.0
173.13260	2.8
175.14825	1.5
176.17964	1.1
177.16246	1.6
187.14793	2.9
198.05336	2.5
216.06454	3.6
243.21008	1.9
247.16742	1.3
261.22043	8.3
277.21509	1.4
304.26395	10.1
317.24847	1.3
335.25815	100.0
336.25873	1.4
422.31482	2.6
440.32446	1.7
458.26523	3.7
458.33353	4.2
476.28186	1.7
476.34506	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	476.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72684	4.9
55.56690	4.6
57.03426	17.4
66.93369	4.9
67.05502	8.7
69.03437	75.3
69.71969	20.4
69.72394	8.4
70.02203	4.6
73.46556	5.7
85.02911	53.5
87.04476	50.4
91.05457	5.3
96.93942	4.9
97.02892	64.3
97.06454	5.1
101.30376	4.9
105.07043	11.8
107.08578	6.9
109.02906	5.3
115.03943	75.7
123.08067	5.3
125.09805	4.8
127.03892	8.3
133.04967	100.0
137.05948	13.9
145.05003	7.4
163.03883	5.8
165.09120	19.7
189.09016	7.1
201.09154	7.9
287.05478	12.7
322.43445	6.1
459.16345	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	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99900	2.0
55.01866	10.2
55.78098	2.2
57.03440	29.5
58.60754	2.5
59.04995	2.5
61.02930	20.6
69.03435	47.6
69.39399	18.6
71.01344	4.5
71.04996	3.6
73.02515	4.2
73.02923	84.5
79.22780	2.4
81.03413	9.7
85.02912	100.0
87.04477	8.6
91.03940	3.6
91.05479	2.6
97.02899	88.1
99.04470	5.6
100.88359	2.2
103.03943	3.3
105.07034	6.6
109.02890	10.3
115.03943	44.1
124.05217	6.5
127.03927	37.2
133.04036	3.9
133.04984	60.2
133.06496	4.8
137.05988	14.5
145.04967	54.7
145.06041	5.0
150.07677	5.7
151.03978	2.9
157.05023	2.2
163.03883	2.4
163.06006	17.0
165.09119	22.2
180.08650	4.8
193.04968	3.0
199.06071	4.0
201.09099	4.3
217.07027	3.9
223.05946	4.9
232.03189	2.2
241.07114	8.8
259.08139	8.1
295.10080	2.6
439.08969	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3423
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
55.05500	3.0
57.05597	1.1
67.05503	4.8
69.07069	3.0
69.42535	7.1
69.42950	2.9
71.05013	1.5
79.05504	4.3
81.07062	8.0
83.04970	1.4
83.08629	2.3
85.06557	2.2
91.05492	6.5
93.07039	8.0
95.04990	1.6
95.08611	7.9
97.06530	1.8
99.08101	20.7
105.07041	9.9
107.08598	10.9
109.06543	5.2
109.10155	8.5
111.08065	2.3
113.06030	1.8
117.07024	2.4
119.08595	13.7
121.10145	10.2
123.08072	2.9
123.11733	3.2
125.06040	2.3
127.07553	6.5
131.08568	6.9
133.06444	1.5
133.10120	10.3
135.08080	3.3
135.11688	5.9
137.09613	2.3
143.08621	3.1
145.10135	12.3
147.08102	3.0
147.11703	4.6
149.13289	2.3
156.09369	1.4
157.10156	4.1
159.11717	11.2
161.09579	3.0
161.13278	4.3
163.14857	4.3
169.10175	2.0
171.11765	3.0
173.09662	1.4
173.13275	9.2
175.11302	1.2
175.14865	4.7
177.12772	4.7
177.16394	1.7
183.11757	2.7
185.13275	2.5
187.14883	8.7
189.12762	1.7
191.14352	2.6
195.13805	1.2
197.13161	1.5
199.14876	3.6
201.12759	5.5
201.16429	1.3
203.14305	2.4
205.15862	6.9
211.14970	2.0
213.16341	2.2
215.14400	2.4
217.15843	1.4
219.13821	8.0
223.16910	7.0
225.16298	1.5
243.17453	2.1
294.77319	1.2
309.06744	1.2
385.27551	5.9
387.28958	3.5
421.31082	3.7
439.32059	12.0
445.31531	1.3
457.33194	100.0
458.33676	2.6
475.34384	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	475.3422
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
55.05504	11.6
67.05495	9.9
69.07050	7.6
70.69807	7.3
79.05500	15.9
81.07063	31.8
83.08632	5.1
91.05476	27.3
93.07047	33.2
95.08619	29.8
97.06522	8.3
99.08089	16.7
102.20654	2.6
103.05515	3.7
103.58327	3.0
105.07038	90.7
106.99533	3.5
107.04913	3.4
107.08598	35.6
109.06530	17.1
109.10179	17.2
111.08061	4.3
117.07024	8.7
119.04951	2.9
119.08590	76.9
121.06506	10.5
121.10145	40.8
123.08035	7.0
123.11723	3.7
125.09649	4.2
128.06253	4.1
129.07001	4.8
131.08588	35.0
133.06528	22.6
133.10141	35.1
135.08044	8.1
135.11693	10.9
135.25163	2.9
137.09628	4.9
142.07811	3.9
142.75427	3.0
143.08563	16.3
145.10155	33.8
147.08090	18.6
147.11713	19.0
147.48671	3.6
148.36368	3.3
149.09596	12.5
151.07552	4.2
156.09282	5.5
157.10158	17.7
158.10887	3.5
159.11722	23.2
161.09668	11.5
161.13208	15.0
163.11171	5.9
163.14795	6.9
165.12766	3.7
169.10156	6.2
170.10893	4.0
171.11691	7.7
173.13275	49.0
175.07498	4.2
175.11197	5.8
175.14828	46.1
177.12875	4.1
177.16350	3.5
183.11700	5.5
185.13245	24.2
187.11177	3.6
187.14836	15.6
189.16328	4.1
191.14302	55.0
193.15843	12.7
197.13341	6.8
199.14845	12.9
201.12762	4.2
201.16411	5.4
203.14325	100.0
205.15762	3.9
209.13150	2.9
211.14841	3.8
215.14432	4.4
217.15904	6.3
221.15355	56.6
225.16373	2.9
227.14471	3.1
237.18381	3.9
239.16399	66.5
245.15759	3.1
271.20770	3.0
287.93661	3.5
306.58350	3.3
321.22223	3.5
385.27411	3.5
403.29984	4.7
409.31110	4.5
421.30969	12.2
439.32126	13.9
457.33163	50.6
475.34256	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3423
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
52.37813	3.2
55.01855	4.1
55.05512	24.4
57.07089	5.1
59.04996	5.6
67.05505	12.1
69.03400	3.1
69.07074	23.6
69.44086	20.1
69.44494	7.7
70.43356	3.4
79.05499	18.1
81.07061	30.7
81.64489	3.3
83.04988	3.4
83.08622	29.9
85.06580	3.4
91.05515	19.4
91.15521	3.5
93.07051	34.7
93.93246	3.7
95.04950	5.2
95.08617	49.7
97.06564	8.0
99.08078	13.5
105.07036	35.2
107.08604	42.9
109.06507	8.2
109.10139	20.9
109.81036	3.2
111.08088	13.4
113.09697	5.9
117.07014	8.7
119.08582	39.6
121.06547	9.4
121.10140	32.8
123.08047	7.8
129.07040	5.5
129.09131	17.7
131.08583	24.5
133.10150	27.0
135.08063	8.2
135.11685	12.3
137.09677	7.4
139.11185	13.9
142.07758	4.5
143.08559	10.9
145.10135	30.1
147.08041	9.3
147.11707	20.4
149.09639	13.5
149.13286	7.9
151.11163	4.8
153.12802	4.1
156.09341	4.7
157.10143	20.1
158.10838	4.4
159.11703	29.8
161.09613	4.4
161.13283	12.8
163.11174	11.2
163.14867	4.3
165.12822	3.9
169.10139	5.1
171.11688	16.8
173.13264	18.2
175.11215	9.0
175.14830	10.1
179.14354	7.6
181.10069	3.4
183.11699	19.9
185.13231	16.5
187.14841	11.9
189.12738	6.2
191.14253	8.0
193.15886	4.4
195.11746	6.1
197.13316	6.5
199.14882	9.1
201.12782	3.9
203.14302	10.1
205.15775	6.6
209.13268	6.5
211.14914	7.9
213.16386	8.3
215.17931	3.3
217.15897	8.4
219.17484	5.6
220.12648	3.4
221.13327	5.5
221.15353	5.5
223.14824	3.9
225.16373	5.1
227.14331	3.9
235.14838	6.2
241.19534	5.0
253.19420	4.2
271.20612	4.8
287.20020	4.1
391.29718	4.7
393.31610	5.7
403.30017	8.1
409.30759	6.3
421.31216	16.6
421.40506	3.8
439.32211	26.1
457.33209	100.0
475.34348	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3424
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
55.05502	1.7
67.05518	3.7
67.83654	1.0
68.49052	0.9
69.07064	3.3
79.05493	3.1
80.77873	0.9
81.07071	7.4
83.08643	2.0
85.06558	0.9
91.05473	2.8
93.07058	5.9
95.04980	1.8
95.08611	7.1
96.30454	0.9
97.06550	1.1
99.08105	1.4
105.07058	6.3
107.04980	1.2
107.08591	5.5
109.06464	0.9
109.10194	8.0
111.08056	0.9
117.07053	1.4
119.08616	8.0
121.06515	1.9
121.10143	5.7
123.08068	1.4
123.11729	1.7
125.06004	1.9
129.07013	0.9
131.08556	3.9
133.10143	8.9
135.08041	1.9
135.11710	2.3
137.09613	1.1
143.08589	1.8
145.10153	5.7
147.08069	1.3
147.11684	4.9
149.05977	2.8
149.09621	2.1
149.13281	2.0
151.07500	0.9
151.11157	1.0
155.08566	1.5
157.10117	1.1
159.11723	5.3
161.09619	2.3
161.13329	1.7
163.07582	1.2
163.11214	1.9
163.14836	2.3
170.10863	1.0
171.11731	1.8
173.09636	1.6
173.13345	5.2
175.14827	2.0
177.12784	2.2
177.16388	3.2
183.11700	3.8
185.13277	1.2
187.11154	0.9
187.14867	7.0
189.12788	0.9
191.14246	1.3
197.13396	1.4
201.12787	10.6
205.15947	6.6
211.14766	1.5
215.14503	1.6
219.13766	4.1
223.17029	2.6
229.67709	0.9
363.25134	0.8
389.26837	2.7
403.29028	1.0
421.31088	1.7
439.32059	3.3
457.33185	100.0
458.33551	3.5
475.34305	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	475.3423
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
55.05506	11.5
57.07089	3.0
67.05509	13.6
69.07065	11.1
70.63203	7.5
79.05495	19.6
80.20560	2.6
81.07063	30.5
83.08604	6.2
87.13535	2.6
89.62341	2.6
91.05480	25.2
93.07055	37.8
95.05008	5.2
95.08613	39.1
95.27074	2.3
97.06535	6.3
99.08120	19.6
105.07040	75.8
107.08604	38.8
109.06548	18.6
109.10171	17.7
111.08095	8.4
117.07034	8.0
119.08588	75.9
121.06514	9.4
121.10149	41.3
123.07281	2.6
123.08060	13.6
123.11775	5.0
129.07027	5.6
131.08582	38.4
133.06516	13.0
133.10158	38.3
135.08084	7.9
135.11703	12.2
137.06104	3.2
137.09650	8.2
142.07848	3.2
143.08557	12.8
145.10135	34.5
147.08064	16.6
147.11702	22.1
149.09660	12.0
149.13271	5.5
151.07568	5.7
151.11148	3.3
155.08553	5.0
156.09360	4.3
157.10138	16.0
159.11703	32.0
161.09641	11.2
161.13272	14.4
163.11197	5.3
163.14946	5.9
165.09074	3.6
167.10617	3.0
169.10165	6.6
170.10892	3.2
171.11743	9.5
173.09587	4.5
173.13290	48.9
175.11200	3.8
175.14818	44.7
177.12747	4.6
179.14369	3.2
183.11751	5.9
185.13278	21.3
187.14789	19.8
189.12799	3.0
191.14316	52.1
193.15880	8.4
197.13316	5.4
199.14873	9.9
201.12744	7.0
201.16429	8.7
203.14317	100.0
205.15958	6.3
209.13181	3.3
213.16365	3.0
217.15935	7.5
219.13805	4.0
221.15363	47.3
223.17018	3.9
239.16418	65.6
239.18724	3.5
301.36124	2.6
403.30063	8.1
421.31110	15.0
439.32089	21.1
457.33209	71.5
475.34277	98.6
476.34680	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	475.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.0
55.01864	13.5
55.05515	39.4
57.03442	7.0
57.60061	5.2
67.05501	50.3
69.03432	9.1
69.07066	32.1
69.34128	48.4
79.05504	40.0
81.03410	18.1
81.07059	69.3
83.04978	20.1
83.08634	39.7
85.06536	20.0
91.05489	47.9
92.72611	5.3
93.07056	65.9
95.04961	23.6
95.08608	74.0
97.06537	17.8
97.10151	9.3
99.08100	100.0
105.07039	67.5
107.04932	19.1
107.08595	65.4
109.02872	9.4
109.06522	23.9
109.10172	50.0
111.08082	28.4
117.07018	17.9
119.05004	5.0
119.08581	94.5
121.06514	8.9
121.10150	56.4
123.08086	19.6
123.11742	13.1
125.09597	11.7
127.07539	25.3
128.06264	8.0
129.06985	18.0
131.08569	47.6
133.06493	8.9
133.10136	91.3
135.08061	19.0
135.11707	32.6
137.09602	24.2
139.11174	13.3
141.06958	12.9
142.07726	7.4
143.08569	42.5
145.06473	11.7
145.10127	67.1
147.08052	16.6
147.11690	40.3
149.09618	17.2
149.13277	13.5
151.11116	10.7
155.08549	20.4
156.09315	9.2
157.10147	73.0
158.10861	6.3
158.77055	5.8
159.08118	7.1
159.11711	39.1
161.05940	18.5
161.09605	14.9
161.13257	13.0
163.11220	16.5
163.14876	7.9
165.12770	8.3
169.10135	50.7
170.10854	9.5
171.08055	6.7
171.11679	44.0
173.09633	13.8
173.13304	28.5
175.11015	6.9
175.14803	19.7
177.09128	6.3
177.12761	14.3
177.16335	10.2
181.10106	11.8
183.11714	29.1
185.09622	8.6
185.13319	26.6
187.11237	9.6
187.14841	21.7
189.12608	10.2
189.16342	7.4
191.14301	16.7
193.10146	8.1
195.11731	21.8
197.13216	15.5
199.11267	7.3
199.14793	14.8
201.12778	17.0
201.16348	8.4
203.14343	18.2
205.15894	29.5
207.11716	9.3
208.12413	7.5
209.13249	23.9
211.11230	7.0
211.14789	14.0
213.12602	9.5
213.16342	12.3
215.14384	9.0
217.15897	13.3
219.17325	5.3
221.13274	11.2
223.14848	26.5
223.16937	12.3
225.12839	7.6
225.16348	9.4
227.17784	7.4
229.12128	6.0
229.15919	8.0
230.64725	5.5
237.16655	7.0
249.16428	6.7
251.14337	8.0
251.18037	29.8
255.17445	6.6
263.17917	11.9
269.18991	20.8
283.17072	6.3
285.36844	5.4
289.14413	8.9
292.01028	5.4
293.19092	8.1
295.20694	6.1
299.19965	8.4
303.20969	13.4
309.18567	5.8
309.22186	18.9
321.22147	88.8
339.23114	10.2
365.20978	12.3
375.26904	29.3
383.22171	43.5
393.27908	39.5
401.22937	18.2
403.25983	9.6
411.28860	16.9
421.27115	19.7
421.31561	13.8
439.27917	82.2
457.32980	95.0
475.26825	38.0
475.33917	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98598	2.2
53.03926	4.1
54.39812	2.3
55.01864	3.3
55.05513	5.6
58.28864	2.7
61.02932	2.8
62.91781	2.1
63.67337	2.8
67.05502	6.8
68.99821	2.6
69.03424	10.8
69.07073	4.3
69.92548	12.6
70.06588	8.9
71.04981	7.8
79.05489	7.0
81.03400	8.3
81.07034	9.9
83.01336	6.8
83.04981	7.6
85.02902	17.8
85.06548	4.3
86.09694	3.5
87.00827	10.8
91.05466	10.1
93.07072	12.1
95.08604	9.6
97.02915	6.0
97.06508	5.6
99.04449	19.9
99.08093	22.1
100.59600	2.6
101.06004	4.7
105.01851	3.6
105.07018	7.8
106.70684	2.9
107.08588	16.9
109.02885	11.4
109.10152	8.4
111.08121	4.0
119.05000	3.5
119.08593	5.5
120.08142	3.6
121.02850	2.6
121.10137	16.9
123.04454	3.4
123.08068	4.3
125.09604	7.0
127.03886	9.1
131.08548	5.4
132.95793	3.2
133.10147	14.7
135.04398	2.8
135.08098	7.7
135.11703	7.9
137.05963	6.5
137.09601	4.4
139.07507	6.5
139.11148	6.0
145.04892	5.2
145.10155	4.2
147.04451	15.8
147.11650	3.6
149.09648	16.6
149.13213	7.3
151.03867	7.5
151.11197	5.4
152.04240	2.9
153.01935	3.2
159.02809	4.0
163.03928	7.8
163.14850	7.8
165.12811	3.2
173.13237	9.4
176.96944	6.1
181.04930	3.6
181.15858	4.0
183.13765	5.5
191.14348	17.7
209.15372	100.0
219.10120	4.9
227.16386	22.5
239.39192	2.5
262.96948	3.8
279.08569	11.7
313.10727	2.9
347.50647	2.9
356.06573	2.7
402.38763	2.8
446.16125	2.8
474.88019	2.9
475.17072	3.4
475.26154	4.4
475.32578	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	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01874	3.8
55.05511	8.6
57.03441	4.0
62.36753	2.9
67.05498	7.4
69.03431	17.0
69.07061	7.3
70.06588	11.0
71.04999	9.1
71.49702	3.6
74.06082	2.6
79.05482	6.2
81.03412	10.7
81.07048	7.7
83.01337	4.5
83.04990	3.7
85.02911	21.6
85.06564	5.4
86.09723	5.2
87.00822	8.6
91.05473	10.7
93.07045	11.7
95.04974	3.1
95.08604	4.2
97.02907	13.2
97.06558	5.0
99.04456	25.1
99.08096	21.2
101.06021	3.3
105.01884	4.4
105.07030	9.6
107.04993	4.3
107.08594	18.1
109.02871	10.6
109.06549	5.4
109.10153	8.1
111.08087	6.5
119.04948	8.0
119.08602	7.7
120.08096	4.2
121.10184	16.9
123.04426	3.4
123.08080	6.0
123.11683	3.3
125.09634	7.0
127.03918	12.1
131.08557	3.8
133.06451	3.5
133.10135	21.4
134.95773	2.7
135.08089	6.4
135.11661	4.6
137.05986	5.7
137.09647	6.4
139.07570	4.2
145.04956	5.7
145.10149	4.6
147.04391	22.0
147.11696	5.4
149.09641	18.2
149.13287	6.0
151.03941	8.6
151.11176	5.1
153.09119	3.6
159.11714	3.8
163.03894	8.9
163.14807	6.6
166.08595	2.7
171.11778	3.0
173.13196	13.2
176.96957	5.3
177.05435	3.1
179.58240	2.5
181.15887	5.2
182.77437	2.8
183.13866	4.2
191.14278	19.5
209.15381	100.0
210.40512	3.0
213.03908	2.8
219.10243	5.4
221.08130	3.2
227.16457	25.1
227.18404	4.1
262.97083	2.9
279.08688	12.1
313.10663	5.4
395.16757	2.7
475.15967	3.3
475.32495	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.9
55.05516	1.2
57.03439	0.5
64.87414	0.5
65.03960	0.9
67.05506	2.1
69.03435	2.8
69.07082	1.1
69.90939	0.6
70.83303	1.0
70.83653	0.8
71.05006	0.8
78.70388	0.5
79.05500	5.4
81.07045	2.9
83.05009	0.6
83.08637	1.1
85.06552	0.8
91.05475	6.0
93.07051	4.0
94.07376	0.8
95.04971	5.5
95.08619	5.9
97.06530	1.1
97.26572	0.6
99.08099	1.4
105.07040	7.4
106.07393	0.8
107.04934	1.0
107.08599	15.9
108.08964	1.0
109.06520	3.8
109.10183	3.0
111.08064	0.6
114.69454	0.6
115.05466	1.9
117.07024	5.7
119.06076	1.2
119.08588	3.9
120.08937	1.9
121.06531	1.1
121.10155	2.7
122.10465	0.8
123.08043	0.9
129.06981	0.9
131.04958	0.7
131.08574	5.5
132.08919	1.5
133.06519	0.7
133.10124	3.8
134.10464	0.9
135.08063	100.0
136.08395	1.4
143.08546	0.8
145.10155	1.7
146.10510	0.9
147.08063	0.8
147.11700	1.9
148.12077	1.0
149.06024	1.6
149.09605	2.1
151.11339	0.6
157.10060	0.9
158.10860	0.7
159.11728	1.8
160.12103	0.8
161.09633	0.6
166.13121	0.8
167.07048	0.6
173.13295	5.1
174.13632	1.0
175.14847	1.3
176.57689	0.6
185.13220	1.2
187.14886	0.7
188.15210	0.7
189.12918	0.8
191.14320	75.6
192.14644	2.6
201.12794	1.4
202.13011	0.8
203.14371	1.7
204.14714	1.2
209.15413	1.1
219.13780	1.9
220.14217	1.3
221.15346	1.5
239.16449	1.8
240.16728	1.3
438.30817	1.5
456.31702	1.8
474.33124	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
56.96302	1.8
56.96566	19.4
69.03416	1.6
69.68941	5.3
70.98091	1.1
71.95273	1.9
81.03425	1.1
84.96031	7.6
85.02871	3.0
86.09674	1.0
96.04128	1.0
97.02892	2.1
97.96805	3.2
98.20831	1.5
98.97587	100.0
99.97936	1.1
110.97575	35.1
110.98343	2.0
112.99139	4.5
115.97849	1.7
116.98619	29.2
120.08125	1.7
124.99138	1.5
126.43911	1.1
127.03931	1.0
128.97705	2.0
128.98607	28.6
131.00157	3.7
134.99651	4.7
136.01784	1.3
140.98602	3.3
143.00203	5.5
144.98097	2.3
146.99661	10.2
147.04385	2.1
149.01230	1.8
152.98634	2.3
153.01848	1.9
158.99654	7.5
161.01231	4.2
163.03947	4.0
167.07095	1.1
170.99638	9.2
177.00732	5.3
179.00256	1.3
189.00693	4.1
195.03296	1.5
197.01251	1.9
201.00647	7.2
208.00456	4.4
211.99922	2.0
213.04306	1.3
219.01768	61.2
223.02759	9.1
226.01498	7.4
235.02791	18.7
237.02820	79.5
238.01299	1.6
241.03844	15.6
242.03366	2.1
253.03809	12.5
255.01614	1.4
255.03893	2.9
259.04883	2.3
260.02063	2.9
263.04419	4.3
265.03815	4.1
271.04916	5.8
276.02835	1.3
278.03143	2.0
281.05630	1.7
286.01434	1.8
295.04822	2.8
305.09000	3.0
313.06375	2.2
319.04791	1.7
325.05997	1.2
327.48203	1.0
337.06030	7.6
349.05853	1.4
355.07114	2.8
367.06989	19.0
371.06512	1.3
379.07147	2.0
385.08060	10.8
397.07993	6.4
400.59521	1.1
415.09128	71.0
416.09518	1.9
433.10217	24.0
456.11829	1.8
475.04575	1.5
475.11273	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	474.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91017	1.9
83.06109	0.5
86.70387	0.4
95.06121	0.4
98.97617	0.4
104.05006	0.6
105.03394	0.7
105.05777	0.7
105.51342	0.4
106.06561	0.5
111.05546	2.9
113.26405	0.5
120.04467	2.9
123.04341	0.4
123.05540	1.0
126.06663	1.9
132.04463	23.3
133.05220	0.5
134.06027	5.3
134.23875	0.4
137.04675	2.4
140.08153	0.4
151.06157	10.6
158.06029	0.5
159.05563	0.4
163.03922	1.1
194.06741	5.1
195.07552	1.3
202.09743	1.5
214.09790	0.5
216.11348	1.0
230.09332	1.6
232.10843	0.8
242.09250	5.1
255.08482	0.5
257.10306	4.6
258.08710	0.5
259.11938	11.2
273.69797	0.3
279.62378	0.4
284.11441	7.0
302.12497	15.6
327.11908	2.7
345.13077	100.0
346.13370	2.3
366.85648	0.4
474.17371	9.5
488.62161	0.4
494.60577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3631
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.03934	1.4
55.05515	4.0
57.07072	1.6
66.31200	0.9
67.05508	6.6
69.07073	5.8
70.99912	2.2
71.05012	1.0
79.05490	5.0
81.07060	13.7
83.08630	2.4
85.06512	1.2
91.05484	5.3
93.07048	15.8
95.05000	1.5
95.08614	19.2
97.06528	1.3
97.10182	2.4
99.08125	1.0
105.07034	11.3
107.08604	23.3
109.06528	1.8
109.10159	10.9
111.08079	3.1
117.07021	2.0
119.08587	20.2
119.09386	1.5
121.06462	1.4
121.10156	13.4
123.08065	4.6
123.11709	6.6
125.09720	1.0
131.08557	6.8
133.10135	18.3
135.08083	1.5
135.11700	16.6
137.09662	1.7
137.13252	2.0
143.08549	1.9
145.10123	12.9
147.11714	14.0
149.09595	1.3
149.13261	6.7
151.11150	1.8
157.10138	3.4
159.11714	8.4
161.13272	7.6
163.14847	5.6
171.11694	2.7
173.13297	6.3
175.14813	6.6
177.16449	4.0
179.10806	1.1
179.14201	1.2
185.13283	3.6
186.14026	0.9
187.14824	9.6
189.16393	15.5
191.18027	2.1
197.13264	1.5
199.14857	2.7
201.12634	1.1
201.16376	18.6
203.14459	1.1
203.17950	10.1
205.15904	8.1
207.17439	16.2
211.14790	1.0
213.16414	3.6
215.17989	6.1
217.19525	1.1
219.17563	2.0
221.19115	2.0
225.16119	0.9
226.98788	0.8
227.18015	2.3
229.19545	3.1
233.18947	1.0
241.19426	1.8
243.21143	2.4
247.16963	8.5
249.14891	1.0
255.21095	6.2
257.22672	2.4
269.22702	1.5
289.21613	1.3
301.21585	3.5
303.23169	2.0
315.23251	2.4
331.26309	4.8
357.28009	4.4
391.33505	1.9
409.34656	6.3
427.35760	100.0
428.36182	2.8
437.34418	8.4
455.36169	4.1
473.31888	2.8
473.36066	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	473.3629
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
51.85546	5.1
55.05499	6.8
58.80755	5.8
67.05494	10.7
69.07063	10.3
70.67619	15.6
79.05479	11.3
81.07076	20.4
83.08620	6.1
93.07048	20.3
93.13361	5.8
95.08629	34.1
105.07042	17.7
106.05133	5.4
107.08604	57.3
109.10172	20.5
113.15513	5.6
119.08578	39.4
119.83965	5.2
121.10155	35.3
123.11790	6.5
130.93187	5.5
131.08534	7.8
133.10149	30.5
135.11711	11.4
143.24847	4.8
145.10132	28.1
147.11743	28.1
149.13309	14.5
155.02222	5.6
155.16295	6.2
156.06226	4.9
159.11696	19.5
161.13274	10.1
163.11221	17.3
163.14839	8.5
171.11661	10.1
173.13345	6.3
175.14793	18.1
177.16393	24.7
178.71411	5.3
182.48715	6.4
184.48697	5.0
187.14786	40.9
189.16408	57.2
201.16331	13.7
203.17996	51.2
205.15892	100.0
205.19521	9.0
207.17445	17.5
223.17056	8.6
235.17076	5.7
249.18492	16.9
301.35959	6.1
313.25241	7.0
409.34738	33.3
437.34296	26.3
473.34845	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	473.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57495	9.5
62.16317	10.0
69.07069	18.3
69.55840	69.7
69.56236	18.5
76.41406	9.6
77.55585	10.5
81.07081	27.1
92.05072	11.5
93.07038	27.0
95.08614	60.1
98.09943	10.2
105.07021	25.5
107.08611	59.6
109.10154	16.3
119.08566	39.1
121.10127	30.8
131.08565	11.0
133.10123	44.9
135.11716	12.8
145.10115	18.9
147.11693	23.0
159.11685	21.5
161.13269	23.3
163.11200	13.6
175.14801	25.6
177.16380	21.3
187.14798	32.9
189.16415	59.4
195.57310	12.1
201.16464	11.3
203.17978	63.1
205.15909	100.0
207.17467	24.4
243.87189	11.6
244.97466	11.7
249.18625	17.6
296.96585	11.7
346.65591	10.7
409.34637	37.7
427.35110	14.9
437.33920	24.4
455.31955	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	473.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.05515	26.6
57.07054	3.3
65.42822	2.7
67.05510	25.6
69.07069	29.1
69.39572	9.8
69.39997	12.0
71.04986	2.9
79.05492	32.7
81.03420	22.7
81.06606	3.3
81.07065	47.0
83.05001	5.3
83.08625	19.2
85.06528	5.1
86.82230	2.5
91.05493	39.4
93.07054	65.0
94.90592	2.5
95.04962	12.2
95.08611	60.6
97.06512	7.5
97.10159	6.1
99.08096	15.4
105.07039	59.5
105.45419	2.9
107.04953	4.3
107.08598	75.8
108.37367	2.7
109.06513	5.3
109.10154	46.4
111.08072	6.8
117.07003	12.5
119.08591	76.7
121.06507	7.4
121.10151	72.0
123.08049	7.8
123.11688	16.0
127.07529	3.2
129.06985	7.8
131.08557	25.0
133.09138	3.6
133.10139	74.8
135.08037	9.6
135.11697	41.4
137.09610	6.3
137.13316	6.7
139.11169	3.3
142.35892	2.5
143.08525	6.5
144.09363	3.3
145.10126	42.1
147.08041	5.4
147.11699	50.9
149.09605	7.9
149.13272	19.0
151.11221	5.9
156.09328	3.8
157.10088	13.7
159.11697	43.5
161.09608	5.1
161.13243	27.8
163.11221	15.3
163.14812	12.9
165.09074	3.5
165.12715	4.5
167.10669	6.2
171.11703	12.1
173.13258	24.1
175.11211	8.8
175.14825	28.1
177.12791	5.8
177.16368	34.3
179.10696	4.6
179.14380	3.0
183.11684	4.4
185.13246	10.6
187.14809	40.7
189.12770	8.7
189.16389	27.1
189.46112	2.8
191.14313	8.3
191.17952	8.3
193.12239	7.1
197.13237	5.0
199.14833	9.8
201.12793	3.7
201.16389	21.2
203.14304	10.8
203.17961	84.8
205.15886	100.0
207.13864	6.0
207.17410	7.7
211.14867	4.6
213.12723	3.7
213.16432	10.0
215.14241	5.3
215.17967	7.1
217.12274	18.0
217.15837	4.2
217.19533	2.9
219.17357	9.4
221.15338	2.9
221.19073	3.9
223.16913	7.3
231.13773	3.1
231.17393	12.8
233.15382	4.1
233.19359	2.8
235.16943	9.2
239.17953	3.6
244.96039	2.7
249.18515	23.9
269.18851	3.6
293.86850	3.1
335.23813	3.1
390.48062	2.5
391.33557	5.5
409.34744	45.8
437.34781	34.4
455.30493	10.4
455.35129	31.9
473.32620	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3627
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05506	12.1
57.07063	4.1
67.05514	15.5
69.07076	13.4
69.38676	4.9
69.39080	10.0
71.04973	3.1
79.05507	12.1
81.07063	30.4
83.04998	3.5
83.08627	9.8
85.06533	5.5
86.14443	1.8
91.05476	13.9
93.03527	1.9
93.07052	25.2
95.04957	7.0
95.08617	55.4
97.06515	4.4
97.10163	5.8
99.08118	9.1
105.07029	32.2
107.08605	51.1
107.97984	2.0
109.06503	6.1
109.10170	39.1
111.08075	5.6
113.06004	20.5
116.52102	1.8
117.07037	4.0
119.08591	60.0
121.06519	3.5
121.10152	41.5
123.08059	4.9
123.11722	10.7
129.06969	4.3
131.08554	13.4
133.06444	2.5
133.10141	45.3
135.08035	6.4
135.11685	20.5
137.09602	4.5
137.13304	3.4
143.08525	5.7
145.10123	21.4
147.08092	2.1
147.11693	38.7
149.09648	5.3
149.13261	18.7
151.11165	4.2
153.09079	6.5
157.10150	5.9
159.08153	2.4
159.11694	19.2
161.09669	2.6
161.13248	22.5
163.11166	11.1
163.14830	19.9
167.10580	2.5
169.10214	3.1
171.07906	2.6
171.11668	8.0
173.13284	11.3
175.11229	3.2
175.14821	21.2
177.12784	5.5
177.16379	24.4
179.14235	3.5
183.11694	3.4
185.13176	5.5
187.14835	22.8
189.12804	3.2
189.16388	88.1
191.14365	2.7
191.17938	13.4
197.13356	3.2
199.14859	4.9
201.12718	3.5
201.16403	16.0
203.14233	6.3
203.17967	100.0
205.15878	63.7
205.19458	5.2
207.13763	2.4
207.17439	26.9
211.14810	2.8
213.16342	3.9
215.14240	2.4
215.17918	7.1
217.12265	6.8
217.15953	2.6
217.19466	3.5
219.13867	4.0
219.17455	4.1
221.19022	3.4
223.16971	5.9
229.19495	2.7
231.13773	2.2
231.17413	3.8
231.21060	4.3
235.16913	6.6
247.16905	2.6
249.18546	24.6
257.22754	2.7
313.25256	2.5
323.27368	2.0
354.24960	2.2
391.33423	6.0
409.34750	87.7
419.29510	3.5
427.35693	8.2
437.29611	5.8
437.34207	8.2
455.31439	26.4
473.31848	26.1
473.36331	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	472.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.1
55.01874	11.2
55.05511	3.0
57.03441	8.0
61.02929	7.8
61.85822	1.4
67.05505	1.9
68.99783	3.6
69.03432	30.9
69.07063	2.5
69.38445	8.5
71.05006	7.7
71.87643	1.3
73.02914	11.8
74.07344	1.2
74.09705	1.2
79.05484	4.7
81.03428	34.4
81.07055	5.1
83.04975	2.2
83.07773	1.2
83.08582	1.4
83.44095	1.2
85.02911	100.0
85.06532	2.8
87.00319	2.1
87.00837	42.0
87.04488	3.0
91.03959	4.1
93.07047	5.4
93.52002	1.3
95.04967	3.0
95.08604	7.8
97.02898	58.3
97.06539	2.0
98.21521	3.2
99.04474	23.1
105.01871	62.1
105.03389	24.6
105.07030	7.6
106.07377	1.8
107.08611	8.1
109.02884	38.0
109.06525	1.6
111.04435	1.5
111.08063	1.3
117.01844	5.4
118.08987	1.6
119.08566	6.1
120.08933	1.6
121.10130	6.3
123.04415	5.6
123.11693	1.4
127.03925	94.6
129.01816	2.8
131.08548	3.4
133.10127	5.3
143.08560	1.8
145.04971	57.5
145.10147	3.5
146.10510	2.4
147.02914	3.4
147.11684	5.4
148.12001	1.4
149.13239	1.3
151.07587	1.5
155.10622	2.7
159.02914	27.5
159.11716	3.8
165.09131	3.8
171.11688	1.9
173.13202	3.5
174.13583	2.3
175.07635	2.4
175.14818	3.3
177.04091	1.6
187.14813	2.8
188.15236	1.7
189.03983	2.6
189.09123	4.1
189.16353	2.2
199.14777	1.6
201.16391	3.5
202.16570	1.9
205.15866	4.9
206.16159	3.0
213.03987	4.3
231.05031	26.3
237.72118	1.5
249.06026	5.1
257.19034	1.8
299.24493	1.2
315.10684	2.9
337.42978	1.4
472.22470	10.8
472.30740	6.8
485.82016	1.5
492.18509	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3266
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
53.03925	1.8
55.01863	4.8
55.05500	6.9
57.07072	2.7
67.05517	11.1
69.07068	13.4
69.43124	14.1
73.06519	3.8
79.05505	9.4
81.07065	19.3
83.04984	2.7
83.08629	8.7
91.05501	10.2
93.07039	17.2
95.04961	4.5
95.08603	16.5
97.06528	7.6
98.21538	3.0
98.98512	2.1
99.08096	7.3
105.07040	21.0
107.04964	5.8
107.08602	19.1
109.06538	8.4
109.10167	17.3
110.76580	1.8
111.08085	8.0
115.07603	4.5
117.07056	2.4
119.08591	24.4
121.06522	12.1
121.10153	20.5
123.08092	3.9
123.11720	5.6
125.06048	2.3
127.07497	2.4
131.08569	9.0
133.02809	2.8
133.05579	1.9
133.06459	9.0
133.10138	24.6
135.08035	7.0
135.11703	9.3
137.05949	2.1
137.09624	2.8
142.73634	1.6
143.08582	4.6
145.10123	22.4
147.04431	10.3
147.08034	4.9
147.11699	11.8
149.05972	4.0
149.09610	4.5
149.13280	2.5
151.11206	3.2
152.44548	1.9
157.10161	4.6
159.08061	3.4
159.11667	11.7
161.05983	19.6
161.09612	5.0
161.13286	7.3
163.07593	7.8
163.11203	2.7
163.14827	5.1
165.05467	2.8
167.10640	2.2
169.10074	3.4
171.11658	3.5
173.09618	3.6
173.13286	8.2
175.07570	2.1
175.14836	6.8
177.12770	2.4
177.16405	7.8
183.11737	3.4
185.13269	8.2
187.14822	20.3
188.70442	1.8
189.12761	6.8
191.14348	12.2
199.11218	5.0
199.14806	2.7
201.16418	2.3
203.14388	5.3
205.15912	18.6
207.13898	2.7
209.15390	5.3
210.85709	1.8
211.14728	3.1
215.14363	2.3
217.12250	35.7
219.13828	3.1
219.17488	2.5
221.15439	2.0
223.16977	14.2
229.15910	3.3
233.15372	3.7
235.13234	13.4
269.18954	2.2
309.21945	1.9
359.25607	2.6
391.29956	2.1
401.27936	1.9
419.29495	4.8
427.31815	3.3
437.30490	11.5
455.31601	100.0
456.32260	3.3
473.32632	99.6
474.33313	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	472.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.05504	0.7
63.78228	0.5
69.03428	2.5
70.06582	1.7
71.05006	1.0
79.05487	1.9
81.03422	6.2
81.07063	0.8
85.02901	2.5
85.06533	1.1
86.09696	1.2
91.05489	1.2
93.07037	0.8
95.04969	1.9
95.08627	1.0
97.02906	3.5
97.06544	0.7
98.21516	1.6
99.04459	1.0
105.03402	32.1
105.04517	1.8
105.07018	1.4
107.08599	1.3
109.02866	3.1
109.06535	0.6
119.04961	0.8
119.08582	0.9
121.10074	0.7
123.04437	2.2
127.03889	2.1
132.04457	7.4
133.10156	0.7
137.06020	1.5
145.05005	1.3
147.04413	2.0
148.04730	0.9
153.01826	0.8
160.03874	0.8
163.03917	1.5
164.97144	0.5
177.05440	1.2
178.05008	64.2
179.05385	1.2
179.49562	0.6
206.04503	100.0
207.04779	1.9
249.07634	5.9
251.10410	0.6
267.08679	1.1
314.05563	0.6
472.13065	0.7
472.21597	1.8
472.31476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.03941	3.8
53.41073	2.4
55.05518	18.7
57.07061	7.2
67.05498	12.5
69.07073	22.9
70.17994	2.4
70.71980	4.3
70.72295	4.5
79.05491	18.6
81.07063	32.5
81.24131	2.5
83.04995	4.7
83.08627	16.7
84.35230	2.9
91.05485	26.1
93.07059	50.6
95.04945	5.2
95.08619	49.1
98.20895	3.4
99.08093	7.5
105.07033	47.4
107.08607	76.7
109.10162	38.3
111.08105	5.6
117.07020	7.4
119.08593	75.2
121.10152	66.4
123.08025	3.7
123.11739	16.6
125.09616	3.8
129.06989	4.7
131.08566	42.5
133.10130	60.6
135.08090	4.9
135.11691	39.1
137.13271	4.4
143.08569	8.8
145.10129	55.7
147.11690	79.7
149.09630	6.3
149.13275	17.0
151.11214	5.8
153.09085	3.0
155.08559	3.1
156.09343	2.9
157.10156	14.3
158.10913	3.4
159.11697	47.5
161.13272	14.4
163.11200	14.0
163.14813	21.1
170.10934	4.5
171.11703	21.4
172.12564	2.6
173.13232	23.9
175.14836	26.7
177.12769	11.4
177.16405	23.2
179.10724	4.4
183.11716	12.1
183.63005	2.6
185.13243	17.7
187.14842	57.6
189.16368	27.3
191.14394	7.2
191.17978	4.8
195.13756	14.2
197.13283	6.6
199.14854	11.5
201.12663	4.9
201.16400	100.0
203.14351	4.7
203.17969	10.5
205.15884	86.7
206.16084	3.3
206.36407	2.8
207.17538	13.9
209.15274	3.7
213.16409	10.0
215.14407	3.7
215.17953	7.5
217.12231	5.6
217.15862	5.3
219.17462	18.0
221.15498	2.8
223.16895	4.6
225.16467	5.2
227.17882	6.8
229.16014	3.0
231.13678	3.0
231.17368	7.0
235.16936	6.1
237.16380	5.5
241.19519	3.8
243.21187	3.3
245.19194	3.0
247.16867	5.1
249.18491	5.6
255.21109	4.0
257.22729	4.5
269.22644	3.7
271.18210	2.7
283.20541	7.4
301.21579	9.3
305.22821	2.7
311.23169	2.7
353.28369	6.0
355.26419	4.3
389.32126	5.3
407.33136	52.3
425.34235	22.8
435.32727	26.0
453.29135	2.8
453.33847	36.1
471.21964	6.7
471.35233	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	471.3471
Annotation	fatsicarpain A
Peak:m/z	Relative Intensity
55.05517	33.7
55.07779	3.5
57.07069	7.9
59.05011	5.3
67.05503	41.1
69.07066	31.1
69.32687	14.2
69.33125	15.3
79.05492	29.8
79.88500	3.6
81.06658	5.0
81.07065	51.1
83.04989	6.4
83.08627	19.8
91.05487	33.6
93.07047	77.0
95.04952	5.7
95.08615	70.7
97.06563	4.6
97.10149	4.6
99.08105	7.3
105.07038	69.1
107.08606	100.0
109.06515	8.9
109.10163	67.3
111.08098	9.7
115.05479	4.3
117.07024	14.9
119.08587	99.4
121.10143	72.2
123.08084	6.4
123.11707	26.0
125.06000	7.6
125.09586	4.3
129.06975	6.6
131.08562	41.3
133.10138	91.7
135.08066	8.4
135.11697	45.8
137.05977	4.6
137.09657	5.9
137.13239	10.4
142.07701	9.3
143.08589	16.7
144.09358	5.8
145.10141	65.8
147.08081	4.5
147.11694	70.3
149.09636	9.5
149.13266	30.0
151.11198	5.9
153.09140	6.9
155.08549	7.5
157.10146	37.7
158.10938	5.0
159.11708	70.6
161.13261	28.4
163.11148	8.6
163.14850	37.1
165.09119	7.9
165.12791	6.9
169.10172	11.0
170.10905	8.1
171.11734	38.6
173.13257	43.8
175.11189	4.5
175.14868	27.2
177.09225	4.0
177.12747	20.8
177.16388	9.4
179.10654	7.4
181.12303	4.7
183.11682	21.1
185.13258	43.7
187.14836	48.1
189.12665	5.3
189.16380	33.9
191.14299	10.5
191.17950	6.5
195.12117	3.7
195.13771	22.4
197.13306	13.9
199.14861	24.4
201.12651	5.6
201.16385	32.0
203.14293	14.1
203.18016	30.5
205.12302	4.7
205.15942	35.2
207.17416	7.5
209.13301	5.6
209.15366	4.1
211.14784	10.6
213.16373	23.9
215.14313	5.5
215.17993	8.2
217.15880	13.1
219.13867	6.3
219.17470	8.8
221.15407	8.1
223.16937	9.5
225.16356	6.5
227.14308	4.7
227.17905	14.9
229.15991	6.8
229.19482	6.9
231.17430	14.2
235.14757	5.3
235.16919	12.2
239.17961	7.6
241.19537	7.0
243.17499	8.0
243.21124	7.2
245.18990	6.7
249.18619	12.9
253.19505	9.7
255.21143	12.6
257.22668	6.1
261.18359	5.0
269.22552	5.8
275.19971	8.9
277.21881	3.8
283.20691	8.6
301.21579	24.6
303.23062	4.6
315.23141	5.9
337.25223	6.9
349.88766	4.9
355.26300	11.6
370.04941	3.5
389.32193	7.9
407.28549	5.5
407.33191	61.4
417.31302	12.3
425.34372	25.8
435.32742	53.6
453.33914	66.4
463.83688	3.8
471.34482	45.9
479.19449	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	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11533	1.9
55.05506	8.1
57.07076	1.9
67.05506	10.3
69.07059	9.2
69.46132	12.6
71.35665	2.0
74.85838	1.7
77.78371	1.6
79.05486	9.3
81.07063	13.0
83.08616	5.4
91.05496	12.7
93.07043	23.5
95.08618	25.8
97.21530	1.8
98.20757	3.7
99.08092	5.6
105.07049	25.0
106.07406	1.8
107.08613	36.7
109.10159	10.9
117.07039	3.1
119.08590	44.7
121.10152	30.1
123.11704	6.0
130.35892	2.0
131.08578	27.2
133.10133	26.4
135.11690	21.5
143.08612	4.4
145.10139	26.8
147.11690	52.8
149.13266	6.5
157.10129	5.6
159.11725	21.2
161.13303	10.9
163.11206	9.3
163.14780	5.1
171.11688	4.4
173.13309	10.3
175.14838	17.0
177.16402	17.9
185.13283	5.1
187.13176	3.1
187.14842	50.6
189.16396	16.0
191.17982	2.6
199.14812	3.2
201.16403	100.0
203.14342	1.8
203.17961	6.0
205.15886	86.6
207.17413	13.6
213.16406	3.1
215.17998	4.8
219.17450	16.4
223.17006	4.6
227.18050	2.4
229.15894	2.2
229.19711	2.8
231.17551	2.4
234.54218	1.9
234.64525	2.0
247.16890	4.6
268.76770	1.8
306.08856	1.9
353.28513	4.5
389.32123	7.5
407.33151	37.7
425.34201	21.9
435.32693	3.5
453.33926	9.1
471.34818	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	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01852	3.4
55.05497	11.9
57.03404	3.8
65.03944	3.4
67.05515	15.5
68.05837	2.7
69.03427	3.9
69.07076	15.4
70.66790	5.0
70.67159	6.1
71.04972	3.7
79.05493	14.0
81.07065	22.7
83.04963	6.9
83.08608	8.9
85.06564	4.2
91.05492	26.8
93.07059	29.2
95.04937	8.3
95.08613	38.8
97.06519	5.4
99.08089	15.3
105.07041	35.5
107.04942	3.1
107.08606	47.2
109.06488	9.9
109.10165	21.5
111.04354	3.0
111.08063	4.7
112.69048	3.2
113.06010	5.1
117.07005	6.2
119.08593	38.0
121.06509	5.9
121.09509	2.3
121.10167	27.9
123.08047	8.3
123.11671	10.9
125.09563	4.1
127.07520	4.7
129.06993	7.2
131.08574	26.1
133.06467	3.1
133.10149	35.9
135.08028	9.8
135.11716	14.5
137.09572	3.3
142.07773	4.8
143.08574	7.0
145.10121	31.9
147.04373	6.4
147.08017	5.8
147.11714	25.0
148.57469	3.1
149.09583	6.7
149.13217	12.8
151.07532	3.4
156.09384	4.6
157.10184	16.9
159.11711	24.2
161.09654	5.8
161.13271	19.3
163.03905	3.7
163.11267	7.6
163.14786	9.8
165.09096	3.9
169.10152	5.7
170.10780	4.2
171.11694	18.5
173.09615	3.8
173.13272	21.1
175.07559	3.5
175.11182	5.1
175.14888	13.4
177.12788	5.0
177.16333	9.1
181.10110	3.9
183.11687	7.3
185.13316	13.6
187.11224	4.4
187.14790	19.7
189.12807	5.7
189.16347	11.7
191.17883	5.7
195.11591	4.0
195.13672	3.4
197.13261	4.9
199.11267	3.2
199.14798	11.7
201.12741	6.5
201.16402	25.0
203.14259	7.4
203.17947	5.8
205.12143	4.2
205.15912	32.7
206.16170	3.5
209.13162	4.8
211.14862	5.0
213.12703	4.4
213.16197	6.1
215.10678	4.2
215.14215	5.7
215.17825	4.4
217.12303	7.1
217.15782	3.6
219.13786	6.7
219.17377	4.4
223.16869	5.2
225.16299	3.7
227.17979	3.3
229.15901	3.6
233.15421	4.3
241.19382	4.0
245.15332	3.4
253.15714	3.2
255.21014	3.2
265.19458	3.6
395.33127	4.2
407.33710	14.4
417.27600	6.0
425.34631	16.6
435.28812	11.4
453.29492	24.9
471.21780	11.6
471.30923	100.0
475.02368	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	Lantanolic acid
Peak:m/z	Relative Intensity
53.03952	2.7
55.01875	2.3
55.05515	25.9
57.03440	1.4
57.07074	5.6
59.05024	2.0
62.77618	1.4
67.05509	24.8
68.08875	1.3
69.07075	26.1
71.04978	1.9
71.08611	1.6
71.49397	2.6
75.90738	1.5
77.03938	2.4
79.05505	24.0
81.07063	46.0
81.42711	1.7
83.04980	2.6
83.08619	16.5
85.10149	1.8
91.05472	32.7
91.06020	2.0
93.06601	1.0
93.07049	57.7
95.04972	11.1
95.08615	62.5
97.06527	8.6
97.10175	5.1
99.08084	2.9
103.05451	1.9
105.07040	73.5
107.04951	1.8
107.08598	74.7
109.06528	6.0
109.10172	36.2
111.08043	9.2
115.05442	1.9
117.07021	6.9
119.08589	84.8
121.06524	5.7
121.10153	68.5
122.10493	1.7
123.08086	6.9
123.11732	12.6
125.05967	3.9
128.06209	1.6
129.06973	3.0
131.08586	42.0
133.06491	2.9
133.09131	3.4
133.10138	63.7
135.08047	9.3
135.11685	21.0
137.06006	4.3
137.09627	9.6
137.13292	4.4
139.07552	3.0
142.07785	3.6
143.08575	13.3
144.09346	3.7
145.10123	42.6
147.04456	3.0
147.08081	6.5
147.11687	56.7
149.09592	8.6
149.13255	12.5
149.34325	1.6
151.07558	3.8
151.11179	2.1
153.09070	3.5
155.08633	3.3
156.09349	5.2
157.10136	18.6
158.10930	5.1
159.08096	3.2
159.11690	30.5
160.12358	1.8
161.09599	12.2
161.13268	28.1
163.11165	9.9
163.14835	19.0
165.09158	7.7
165.12820	2.3
167.10712	10.4
169.10182	2.3
170.10954	3.7
171.11681	12.7
172.12390	1.5
173.09668	2.9
173.11794	3.1
173.13278	59.1
175.11299	8.5
175.14836	37.8
177.12788	5.6
177.16374	11.1
179.08455	2.1
179.10736	4.1
181.12320	1.7
183.11693	5.0
184.12476	1.7
185.09610	2.0
185.13277	21.4
187.14822	36.8
189.12764	7.1
189.16405	21.9
190.13541	2.3
191.14322	31.8
191.17947	8.1
193.10553	1.9
193.12183	7.7
193.15915	1.9
197.13287	4.3
199.14853	14.0
201.12694	4.6
201.16452	10.1
203.14365	27.5
203.17973	100.0
204.18422	2.0
205.15877	17.9
205.19511	5.0
211.14775	3.2
213.16350	14.3
213.17751	1.3
215.14371	4.2
215.17957	3.7
217.15837	10.5
217.19478	2.6
219.17307	1.6
221.15381	55.6
221.19037	6.4
223.16988	5.7
225.16318	3.2
227.18036	2.5
229.15919	3.4
229.19508	2.1
231.17458	17.7
231.21191	4.5
233.15381	2.3
235.16972	4.5
237.16388	1.8
237.18539	1.9
239.17856	1.8
243.17542	2.1
247.16983	2.5
249.18506	39.7
249.20901	2.9
250.53653	1.7
281.22412	2.2
333.07965	2.1
335.09555	1.9
337.25388	1.9
369.28009	1.9
389.31995	5.3
395.33197	7.0
405.31717	3.6
407.33237	11.5
423.32831	15.8
425.29007	3.0
425.34265	47.5
426.34479	2.5
435.33224	8.5
441.33606	8.2
453.33865	35.1
471.22333	9.4
471.35251	50.9
472.35699	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05518	15.3
57.07060	9.0
62.18376	3.1
66.93362	3.2
67.05495	12.8
68.56149	3.4
69.07076	24.5
70.74960	5.3
70.75314	7.0
71.08618	4.2
79.05479	12.9
81.07076	30.2
83.08627	15.6
91.05470	14.1
93.07053	31.3
95.08617	48.8
97.10159	5.1
105.07045	30.6
107.08601	67.9
109.06502	4.1
109.10166	26.8
110.56601	3.1
116.88219	2.7
117.07086	4.3
119.08595	69.3
121.10152	64.7
123.11705	10.0
131.08569	22.1
133.10139	45.4
135.08127	5.6
135.11739	18.7
135.12636	2.9
137.13289	5.9
143.08569	7.7
145.10133	44.2
147.08067	4.0
147.11716	23.8
149.09616	7.0
149.13246	14.6
151.14836	5.3
153.09087	14.7
157.10127	6.8
159.11670	16.9
161.09685	4.2
161.13258	8.5
163.14824	17.7
167.10696	17.5
169.10165	4.7
171.11685	8.6
173.13268	15.9
175.14871	19.1
177.16379	15.6
179.10704	5.2
181.12268	4.7
185.13298	8.2
187.14853	100.0
189.16415	38.4
191.17941	14.1
199.14780	5.5
201.16380	37.5
203.17944	17.1
205.15872	5.2
212.64951	3.6
213.16370	10.7
215.17957	12.6
219.17473	8.3
223.16875	5.3
229.19533	4.7
233.15407	4.2
233.18916	4.9
235.16876	14.3
237.18393	7.5
241.19388	3.8
247.16985	13.9
254.48608	3.8
261.18451	3.9
263.22314	3.4
305.22711	3.4
365.31976	7.2
389.31937	13.8
404.80756	3.5
407.33139	52.9
425.34137	75.4
426.34491	4.7
435.32727	7.9
453.34006	6.5
471.24823	13.7
471.35254	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	471.3474
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03937	4.4
55.05494	9.2
67.05496	18.0
69.03390	2.9
69.07071	14.8
73.55018	2.8
78.04826	3.2
79.05506	17.2
80.76292	3.2
81.07060	31.4
83.05032	3.7
83.08619	9.2
85.02909	3.8
91.05496	15.0
93.07045	27.7
93.70657	2.7
95.08624	43.7
97.06553	4.8
97.10166	3.4
99.08045	3.7
105.07039	30.8
107.08598	45.3
109.06538	5.3
109.10162	20.5
111.08080	5.9
117.07021	4.7
119.08590	56.8
121.10150	27.1
123.08086	5.1
123.11712	9.3
125.09635	100.0
131.08575	16.0
133.10146	32.2
135.08012	4.5
135.11713	22.6
137.09584	7.2
137.13271	6.4
143.08583	5.5
145.10149	24.5
147.08018	3.7
147.11694	23.7
149.09621	5.0
149.13245	8.9
151.11212	3.3
157.10106	9.2
159.11690	16.5
161.09634	3.1
161.13269	16.1
163.11169	3.9
163.14827	11.5
171.11725	7.1
173.13321	16.6
175.14825	27.9
177.12718	3.7
177.16388	12.0
181.15808	4.0
183.11726	5.0
185.13231	8.8
187.14821	25.1
189.12793	3.1
189.16396	23.2
191.17892	6.1
199.14825	8.9
201.16365	19.9
203.14276	7.1
203.18028	14.5
205.15874	7.6
207.17458	6.6
207.71480	3.3
213.16400	10.4
215.17975	7.0
217.12262	4.3
219.17438	4.6
221.15370	24.2
225.16423	3.2
229.15770	3.3
229.19667	3.5
231.17447	3.6
233.15332	3.4
235.16948	6.5
247.16869	8.4
259.06458	3.0
355.26514	4.2
381.31619	4.3
407.33099	9.5
409.31152	8.6
425.34128	22.8
427.32156	26.8
435.32904	4.5
453.33600	11.3
467.75153	3.5
471.24890	8.9
471.35245	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
51.19019	2.5
55.05510	11.6
57.07064	6.1
58.89045	3.2
67.05494	13.6
69.07079	15.1
69.84241	6.9
69.84639	5.1
79.05497	14.4
81.07079	19.4
83.05010	3.2
83.08626	13.6
85.06528	3.0
91.05489	20.4
92.13210	2.5
93.07057	36.4
95.04976	5.2
95.08613	37.5
99.08093	6.4
100.24486	2.5
105.07036	48.1
107.08598	60.9
109.10168	25.9
111.08068	3.7
117.07037	7.7
119.08586	66.4
121.10151	42.0
123.11713	9.6
125.06038	4.0
131.08580	35.3
133.10132	49.6
135.08099	5.5
135.11678	33.7
137.09598	5.1
137.13234	3.1
143.08560	5.8
145.10130	38.4
147.11697	83.4
149.13292	13.1
149.39307	2.3
151.11205	4.0
157.10147	13.2
158.10899	4.9
159.11700	34.4
161.13255	15.2
163.11201	11.3
163.14873	11.8
169.10136	3.2
171.11700	8.5
173.13266	21.1
175.14867	18.0
177.12782	7.2
177.16383	25.8
178.18587	2.4
183.11690	4.9
185.13257	11.1
187.14833	44.3
189.12776	3.5
189.16382	23.9
191.14229	3.7
191.18108	2.9
195.13797	6.7
199.14793	7.5
201.16405	94.9
203.14368	3.7
203.17967	10.9
205.15898	100.0
207.17499	16.4
213.16296	5.6
215.14464	4.9
215.17903	3.1
217.15913	5.1
219.17500	13.7
223.16948	3.8
225.16444	4.0
227.18030	7.5
231.17456	7.3
235.16978	6.2
245.18916	2.6
253.19337	3.4
255.21306	3.3
269.22928	3.0
283.20654	3.4
301.21698	4.4
315.23309	3.7
344.00946	2.7
353.28427	5.1
389.32135	6.6
405.96490	2.8
407.33148	46.6
425.34219	19.3
435.32669	14.6
453.34009	19.9
471.34796	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	471.3472
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
53.03941	3.2
53.47336	1.3
54.67067	1.2
55.05514	12.4
57.07077	4.2
59.04978	1.6
67.05505	13.1
69.07067	14.8
69.47373	9.6
71.05010	1.5
72.06239	1.3
76.53571	1.1
79.05494	13.9
80.27711	1.3
81.07062	20.6
83.05004	1.8
83.08606	10.7
85.06542	1.6
85.11370	1.2
91.05483	20.4
93.07051	37.2
95.04958	1.5
95.08614	32.4
97.06531	2.5
97.10188	1.3
99.08098	9.0
105.07036	40.6
107.08610	52.2
109.06517	2.0
109.10160	25.0
111.08106	1.6
117.07032	5.3
119.08591	63.9
121.06516	3.7
121.10147	45.2
123.08101	1.9
123.11698	11.0
125.05917	1.7
125.09620	2.1
128.06230	1.4
129.07013	3.0
130.07799	1.6
131.08575	39.0
133.10141	47.3
135.08057	4.2
135.11705	35.0
137.09639	4.8
137.13274	3.0
139.11253	1.6
142.07768	2.5
143.08568	7.5
144.09428	2.3
145.10126	42.4
147.11697	71.7
149.09637	3.2
149.13277	11.4
151.11252	2.9
155.08611	2.1
156.09297	1.7
157.10123	8.9
158.10915	4.2
159.11705	29.6
161.09604	2.3
161.13266	12.7
163.11198	11.1
163.14845	10.0
165.12770	2.3
165.90158	1.4
169.10100	3.3
170.10883	2.2
171.11670	11.1
172.12479	2.9
173.13258	15.6
175.11241	1.8
175.14838	23.6
177.12781	6.5
177.16402	23.4
183.11710	6.0
185.13257	12.8
187.14844	52.8
189.12805	2.8
189.16393	20.5
191.14310	2.8
191.17935	3.7
195.11885	2.5
195.13863	5.6
197.13283	2.8
199.14836	7.3
201.16394	100.0
202.16713	1.9
203.14272	4.1
203.18042	7.8
205.15897	89.6
207.17461	14.7
209.13353	1.7
211.14722	2.6
213.16380	7.5
215.10712	1.5
215.14380	3.7
215.17958	4.2
217.15984	3.7
217.19502	3.1
219.17467	19.6
223.16946	3.1
225.16316	2.9
227.17972	4.1
229.19504	1.9
231.17497	3.7
233.19032	3.3
235.16901	2.2
241.16086	1.6
241.19617	2.3
245.18904	2.6
247.17055	1.8
247.58519	1.5
249.18542	2.5
253.19440	2.2
255.21101	2.5
257.18936	1.6
257.22745	1.5
259.20639	2.1
269.22729	1.8
279.20816	1.4
281.22580	1.3
283.20459	2.1
297.22314	1.6
301.21631	3.1
309.25797	1.6
323.23572	1.6
337.25531	1.9
353.28421	5.8
389.32013	5.0
395.82419	1.5
407.33157	40.8
417.31485	2.0
417.94147	1.6
425.34247	22.3
426.34616	1.4
435.32889	11.7
453.34070	16.8
462.43106	1.6
471.30615	9.4
471.35083	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	471.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17859	3.2
55.05509	7.4
67.05499	8.7
69.07067	7.5
70.86042	5.6
70.86341	3.1
79.05516	8.7
81.07045	13.3
81.65240	3.2
83.08594	6.2
91.05476	13.0
93.07047	24.0
95.08066	4.5
95.08600	21.9
105.07021	29.1
107.08615	30.5
109.10144	12.7
117.07003	4.0
119.08575	48.7
121.10148	29.4
131.08574	28.3
133.10138	32.5
135.11708	21.9
145.10104	33.4
147.11693	57.1
147.96432	3.4
149.09627	3.5
149.13228	8.6
157.10109	4.5
159.11668	20.9
161.13263	11.9
163.11163	10.8
163.14810	6.6
170.22932	3.0
173.13283	14.8
175.14822	17.7
177.16336	26.8
187.14842	55.9
189.16380	18.6
199.14883	7.3
201.16391	100.0
203.18074	5.4
205.15881	93.0
207.17445	12.6
213.16322	8.2
215.17793	3.9
219.17470	14.1
247.16742	3.9
299.92340	3.2
353.28409	6.9
389.32050	5.2
407.32986	40.8
425.34134	17.7
447.76602	3.2
471.35178	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	471.3471
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.01861	7.1
55.05511	10.7
59.05012	8.5
67.05495	18.3
67.62177	7.4
69.07058	20.8
69.79362	7.1
79.05479	25.5
81.07043	29.6
83.08594	9.0
91.05474	25.9
93.07024	34.2
95.08604	46.3
99.08087	21.9
105.07052	46.7
107.08593	81.9
109.10146	35.4
109.29935	7.6
113.05994	8.6
117.07003	15.3
119.08588	100.0
120.66376	8.2
121.10152	67.3
123.11706	14.2
131.08563	29.8
133.10121	66.2
135.11697	36.1
143.08554	10.0
143.99945	7.9
145.10159	42.4
147.11702	45.3
149.13249	16.1
157.10168	10.4
159.11685	50.1
161.13252	16.9
171.11659	17.2
173.13235	25.8
175.14839	32.3
177.16373	22.0
185.13246	10.8
187.14828	53.9
189.16385	57.9
191.17964	17.3
192.56503	8.7
197.13263	7.7
201.16388	57.3
205.15962	12.6
207.17412	23.3
213.16487	9.9
215.17937	48.8
217.19440	10.4
219.17508	21.2
227.17989	16.9
229.15779	9.9
283.06122	10.4
335.27362	10.0
389.31958	15.2
407.33066	85.1
425.34140	22.8
434.32831	9.7
435.32278	17.6
453.33701	57.5
471.35318	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	471.3471
Annotation	fatsicarpain A
Peak:m/z	Relative Intensity
51.08381	3.3
55.05515	24.9
57.07073	8.4
59.87917	3.6
67.05508	22.4
67.22607	3.8
69.07069	28.3
70.63062	11.9
79.05508	23.9
81.07075	56.7
81.22176	3.9
83.08632	20.4
91.05494	32.4
93.07048	67.1
95.04989	4.1
95.08610	67.7
97.06541	5.7
97.10189	4.3
99.08042	6.3
105.07042	62.1
107.08596	100.0
109.06504	8.0
109.10174	67.5
111.08065	7.0
117.07026	15.3
119.07809	7.1
119.08591	76.9
121.06480	5.5
121.10156	66.5
123.11727	19.7
125.06039	7.8
125.09687	4.1
129.07054	9.3
130.07785	6.1
131.08575	36.9
133.10139	83.1
135.08112	6.7
135.11707	45.2
142.07730	9.4
143.08565	24.6
144.09290	3.6
145.10146	51.0
147.08020	6.2
147.11699	63.3
149.09645	5.0
149.13290	25.7
151.11157	9.5
153.09114	6.6
153.45534	4.2
155.08549	6.5
156.09296	5.7
157.10159	28.4
159.08023	4.4
159.11716	60.1
161.09596	4.8
161.13281	31.2
163.11223	9.2
163.14845	31.2
165.12791	5.5
167.08629	5.2
169.10150	8.7
170.10905	10.5
171.11688	27.1
173.13287	35.4
175.11192	5.4
175.14803	19.8
177.12746	22.1
177.16414	13.7
179.10728	4.9
183.11674	14.7
185.13261	34.5
187.14828	44.8
189.16373	44.0
191.10638	4.6
191.14346	8.7
191.17888	4.5
193.12282	5.4
195.12068	5.2
195.13792	28.5
196.12392	4.5
197.13275	9.5
199.14790	25.8
201.12669	5.3
201.16383	52.8
203.14293	12.8
203.17973	23.8
205.15887	49.3
207.11586	4.1
207.17471	6.7
209.13264	6.1
211.14833	8.9
213.16455	14.5
215.14313	7.9
215.18010	8.0
217.12283	5.4
217.15829	7.6
219.17464	14.5
221.13423	4.6
223.16975	10.3
225.16400	10.7
227.17928	11.7
229.15915	8.0
229.19527	6.5
231.17461	14.6
235.16922	8.6
239.17828	5.2
241.19444	4.7
249.18524	9.4
253.19539	5.6
255.21115	14.3
257.22644	6.1
269.22717	11.4
277.21738	5.4
283.20425	8.5
287.19836	5.9
297.22281	4.8
301.21448	18.1
315.23019	4.2
332.92737	4.4
341.24896	4.5
353.24451	5.3
355.26288	11.1
389.32217	7.5
401.43839	4.0
407.33176	72.3
417.31485	5.2
425.34180	28.1
435.32785	48.4
453.33981	49.2
471.34528	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13405	0.8
55.01878	1.0
55.05506	0.8
57.03428	0.9
59.92535	0.9
65.03943	1.0
69.03443	5.3
69.07085	1.2
69.89231	2.6
69.89641	2.1
71.04961	1.2
78.00860	0.8
79.05480	2.8
80.60327	0.8
81.07055	1.4
81.13506	0.9
83.04972	1.2
85.02920	2.1
91.05491	10.4
93.07049	1.9
94.04187	3.5
95.04977	2.4
98.20828	1.7
103.05464	4.5
105.07020	2.2
107.04958	2.5
107.08624	1.1
109.06512	2.4
109.10133	0.9
109.26371	0.9
111.04453	11.2
115.05464	1.6
117.07022	3.4
119.04955	9.0
119.08632	1.2
120.08101	1.1
121.06492	1.4
122.03644	7.3
125.05963	1.3
128.06223	1.7
129.07031	2.3
131.04956	6.9
131.08574	2.2
133.06483	2.0
135.04411	1.4
135.08058	2.0
135.11693	1.0
136.05202	1.4
137.05994	100.0
138.06323	1.8
141.06961	1.7
143.04929	1.5
145.06468	5.3
146.03606	0.9
147.04430	17.5
149.05969	2.5
151.07555	44.8
153.06964	2.1
154.07732	0.8
155.08574	3.2
157.06430	2.4
158.07239	0.9
159.04430	1.0
159.08073	2.2
159.11539	0.9
160.05176	2.2
161.06009	5.1
163.03946	1.3
163.07562	9.3
165.05586	1.5
165.07019	3.0
165.09119	2.5
167.07069	2.1
167.08423	0.9
169.06496	1.3
171.08002	2.3
173.05908	1.2
173.09641	1.2
174.06761	1.3
175.07549	24.2
175.11093	0.8
177.05486	3.1
177.09111	6.8
179.07091	6.9
181.06497	1.3
183.08073	9.6
183.15640	0.9
185.05998	1.6
187.07561	8.3
189.09186	4.5
191.07054	3.6
191.10670	1.0
193.08633	3.7
195.08163	1.9
195.10167	2.7
197.09663	1.6
198.06841	0.9
199.07541	2.9
201.09154	7.3
203.06999	1.1
203.10699	2.9
205.08633	3.9
207.08229	1.7
207.10213	2.5
211.07538	1.1
213.09091	1.9
215.06985	1.5
215.10689	3.1
217.08595	2.5
219.08086	1.9
219.10124	9.5
225.09091	2.4
229.08618	2.2
229.12260	1.9
231.10112	4.6
236.08334	1.1
239.10724	1.2
241.08517	1.5
243.10161	2.4
247.09669	0.9
249.11299	1.1
253.08600	2.4
257.11890	2.1
265.08783	1.3
267.10184	1.6
275.12891	2.0
276.08005	1.2
277.08533	1.7
279.10239	3.6
283.09787	1.3
291.10046	1.5
293.08005	0.8
293.11606	1.6
296.10434	1.4
297.11166	2.9
299.12961	4.2
307.09610	1.2
309.11160	1.9
311.12814	4.9
317.11459	1.1
321.10980	1.7
323.12769	1.4
325.03436	0.9
325.14362	3.6
329.14157	4.7
334.11868	1.1
335.12756	1.5
337.14365	2.8
343.15451	1.0
347.12805	1.5
349.14316	1.4
353.13889	1.4
355.15500	4.3
367.15314	1.6
379.15375	2.4
391.15366	1.1
393.17136	0.9
409.16672	1.4
435.18094	1.0
453.19113	1.7
471.09006	2.4
471.20770	4.3
471.30878	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92229	2.6
53.03948	6.2
55.05507	13.0
55.93530	5.2
56.94305	11.7
57.03441	12.0
57.07066	3.2
60.98714	3.2
61.02934	39.2
66.48123	2.8
67.05511	31.1
69.03420	14.1
69.07074	9.8
70.22513	11.6
70.95870	9.9
72.93792	29.5
73.02917	13.7
74.95339	3.6
79.05488	19.1
81.03425	15.2
81.07062	30.4
82.95853	3.8
83.04987	3.2
83.08639	6.5
85.02910	37.0
88.96899	4.2
90.94843	15.3
91.03957	26.8
91.05474	20.1
93.07065	21.1
93.80733	3.1
95.04987	3.0
95.08623	22.6
97.02905	32.6
99.04472	6.2
104.96380	3.4
105.07041	18.7
106.07380	3.6
107.08607	14.4
109.02897	6.3
109.10161	13.1
116.96349	6.3
117.07032	6.6
118.94344	3.6
119.08577	11.1
120.08940	4.7
121.10175	13.9
126.98450	3.1
127.03879	14.0
128.96368	9.0
130.97958	6.7
131.08612	3.6
132.95830	11.7
133.10141	6.8
134.10518	5.1
135.11703	8.4
142.98006	3.5
144.95839	11.2
145.04974	6.4
145.10138	9.8
146.97441	6.6
147.11719	5.0
149.09601	3.0
149.13260	6.3
149.21147	3.1
157.10269	3.1
158.97426	7.6
159.11700	7.3
161.13213	5.7
162.96922	8.4
163.11241	5.2
166.97980	4.3
168.95886	6.6
170.14897	3.6
170.97397	3.3
173.13289	5.2
174.96881	7.0
175.14868	5.3
178.97978	5.7
183.06595	4.7
184.33170	3.3
185.13322	3.0
186.96899	31.8
189.16458	3.1
190.16777	3.3
196.98796	3.1
199.14818	3.7
216.97946	3.5
234.98996	4.0
253.05289	12.0
261.22098	4.3
269.04761	3.5
271.06302	100.0
272.06580	8.4
281.04721	12.0
283.06412	3.6
283.15451	9.8
294.07895	12.6
299.05768	30.1
322.07535	3.3
333.15167	43.9
334.15414	5.1
335.25815	27.6
355.08380	5.0
360.25989	3.6
406.31503	4.0
424.32962	9.3
452.32587	5.3
470.33847	24.3
497.30902	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	470.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92229	2.6
53.03948	6.2
55.05507	13.0
55.93530	5.2
56.94305	11.7
57.03441	12.0
57.07066	3.2
60.98714	3.2
61.02934	39.2
66.48123	2.8
67.05511	31.1
69.03420	14.1
69.07074	9.8
70.22513	11.6
70.95870	9.9
72.93792	29.5
73.02917	13.7
74.95339	3.6
79.05488	19.1
81.03425	15.2
81.07062	30.4
82.95853	3.8
83.04987	3.2
83.08639	6.5
85.02910	37.0
88.96899	4.2
90.94843	15.3
91.03957	26.8
91.05474	20.1
93.07065	21.1
93.80733	3.1
95.04987	3.0
95.08623	22.6
97.02905	32.6
99.04472	6.2
104.96380	3.4
105.07041	18.7
106.07380	3.6
107.08607	14.4
109.02897	6.3
109.10161	13.1
116.96349	6.3
117.07032	6.6
118.94344	3.6
119.08577	11.1
120.08940	4.7
121.10175	13.9
126.98450	3.1
127.03879	14.0
128.96368	9.0
130.97958	6.7
131.08612	3.6
132.95830	11.7
133.10141	6.8
134.10518	5.1
135.11703	8.4
142.98006	3.5
144.95839	11.2
145.04974	6.4
145.10138	9.8
146.97441	6.6
147.11719	5.0
149.09601	3.0
149.13260	6.3
149.21147	3.1
157.10269	3.1
158.97426	7.6
159.11700	7.3
161.13213	5.7
162.96922	8.4
163.11241	5.2
166.97980	4.3
168.95886	6.6
170.14897	3.6
170.97397	3.3
173.13289	5.2
174.96881	7.0
175.14868	5.3
178.97978	5.7
183.06595	4.7
184.33170	3.3
185.13322	3.0
186.96899	31.8
189.16458	3.1
190.16777	3.3
196.98796	3.1
199.14818	3.7
216.97946	3.5
234.98996	4.0
253.05289	12.0
261.22098	4.3
269.04761	3.5
271.06302	100.0
272.06580	8.4
281.04721	12.0
283.06412	3.6
283.15451	9.8
294.07895	12.6
299.05768	30.1
322.07535	3.3
333.15167	43.9
334.15414	5.1
335.25815	27.6
355.08380	5.0
360.25989	3.6
406.31503	4.0
424.32962	9.3
452.32587	5.3
470.33847	24.3
497.30902	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	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05503	12.8
56.27378	4.3
58.77909	4.3
67.05499	23.9
69.07050	25.3
79.05479	24.9
81.07063	38.3
83.04990	6.6
83.08612	16.5
91.05496	25.8
93.07048	47.6
95.08602	46.4
97.06520	5.9
97.10144	5.2
98.21562	9.2
105.07035	60.9
107.08595	63.5
109.10155	71.7
111.08126	7.8
112.01654	5.0
116.78429	4.9
117.07011	11.5
119.08586	100.0
121.06569	5.8
121.10150	54.3
123.08076	5.8
123.11699	16.1
129.07022	8.5
131.08572	39.3
133.10127	62.2
134.98187	11.4
135.08104	6.2
135.11690	31.6
137.09615	5.6
137.13217	6.2
143.08565	21.7
145.10135	60.4
147.11687	39.4
149.09645	7.7
149.13329	14.4
151.11223	10.5
155.08578	10.5
156.09389	6.1
157.10149	22.3
159.11720	40.6
161.13284	30.4
163.11162	9.5
163.14793	19.0
169.10120	11.3
170.10933	9.2
171.11703	25.3
173.13277	36.0
175.14844	43.8
177.16382	11.4
180.05173	5.7
183.11743	17.0
185.13216	16.2
187.14897	40.5
189.16408	20.1
195.13785	10.7
197.13271	14.7
199.14818	28.8
201.16405	67.5
202.38521	4.8
203.14442	8.5
203.17990	14.2
205.15904	52.0
209.13293	8.6
211.14883	6.7
213.16438	18.6
215.17940	21.1
217.15831	7.2
219.17433	9.7
223.15031	8.0
223.16962	32.1
225.16380	12.2
227.17937	18.5
231.17410	10.2
233.15366	6.1
237.16414	6.4
239.17929	12.5
241.19528	6.9
245.15443	13.2
247.17113	15.0
251.17924	6.6
253.19429	14.8
255.21080	16.3
259.16977	10.2
267.21033	9.5
299.20078	17.0
301.21692	11.1
305.22995	5.7
387.30423	8.1
405.31534	39.4
407.32913	6.7
423.32651	52.2
425.34161	11.8
433.31219	25.9
451.32227	76.6
469.27774	6.1
469.33331	87.0
494.41953	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	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03953	3.4
55.01842	1.7
55.05512	22.8
57.07068	4.1
65.03925	2.3
67.05511	21.3
69.03431	5.1
69.07073	22.1
69.45634	3.0
69.46044	8.5
71.05002	2.9
77.03934	1.8
78.24245	1.3
78.95499	1.6
79.05499	28.6
81.07063	53.4
83.04974	3.7
83.08630	17.2
85.06554	3.1
86.39487	1.7
91.05486	36.5
93.07048	60.5
95.04965	9.5
95.08612	55.7
97.06529	10.1
97.10173	3.3
99.08078	9.6
103.05440	2.3
103.36935	1.5
105.04536	2.1
105.07038	64.9
107.08595	80.1
109.06526	10.5
109.10162	29.3
111.04481	1.7
111.08097	10.7
113.09694	1.6
115.05440	2.3
117.07026	13.2
119.08588	100.0
121.06532	8.4
121.10146	46.7
123.04450	1.5
123.08054	10.3
123.11721	8.2
125.05981	3.6
125.09655	6.5
127.56894	1.7
128.06271	3.7
129.07033	8.6
130.07796	2.7
131.08568	54.8
133.10136	63.4
135.08072	14.3
135.11691	23.7
137.05997	2.5
137.09633	10.0
137.13228	2.2
139.07573	2.4
141.06969	3.6
141.09065	4.8
142.07764	8.7
143.08575	22.9
144.09354	3.8
145.10133	63.5
145.11299	3.2
146.93712	1.6
147.08070	6.5
147.11694	64.9
149.09636	7.6
149.13243	16.7
151.07578	2.2
151.11163	3.5
153.01846	2.9
153.09113	6.2
155.08565	7.6
156.09373	10.4
157.10138	38.1
158.10931	4.5
159.08093	3.7
159.11708	52.8
161.09627	11.2
161.13269	24.9
162.10306	2.2
163.11194	15.4
163.14824	23.9
165.09106	3.8
165.12726	3.5
167.08527	3.5
167.10704	3.3
168.09375	3.1
169.10112	16.2
170.10928	6.4
171.11691	33.5
173.09625	5.0
173.13283	39.7
175.11276	9.5
175.14836	28.4
177.12782	5.0
177.16422	8.1
179.10703	3.8
179.14302	1.5
181.10185	5.9
182.10922	4.7
183.11696	24.4
184.12436	1.8
185.13260	24.8
186.13992	1.9
187.11247	5.3
187.14818	39.3
187.16486	2.4
189.12788	9.8
189.16411	23.2
191.10666	2.2
191.14296	14.0
191.17995	2.2
193.10431	2.0
193.12263	6.6
193.15979	3.0
195.11729	10.3
195.13635	2.6
196.12532	3.4
197.13283	20.7
199.14833	24.3
201.12778	5.9
201.16402	41.4
203.14302	16.7
203.17960	17.7
205.12253	2.5
205.15907	7.7
207.11728	3.0
207.13744	2.0
208.12521	1.8
209.13289	7.3
209.15227	3.1
210.14034	2.2
211.14851	14.9
213.12776	3.8
213.16373	12.1
215.14334	8.1
215.17958	7.1
217.12408	2.7
217.15855	9.2
217.19469	4.1
219.11708	1.8
219.13817	2.9
219.17465	6.4
221.13260	5.4
221.15385	9.5
221.18935	2.2
223.14944	8.8
223.16911	2.9
225.16333	8.5
227.17953	6.0
229.15959	11.0
229.19522	4.2
231.17393	5.7
233.13345	2.0
233.15421	5.9
235.14803	3.3
235.17023	4.8
237.16399	5.1
239.14267	2.5
239.18015	2.8
241.19548	5.4
243.17519	5.6
247.16974	5.7
249.18558	4.1
251.17999	6.3
253.19514	9.5
255.21135	6.8
257.19116	3.5
261.18631	3.6
263.17828	3.7
265.19635	4.2
267.21121	2.5
269.19199	2.3
269.22757	6.0
273.18661	2.3
273.22195	1.6
275.20248	1.9
279.20987	2.2
281.19049	5.9
281.22437	2.4
287.20267	2.5
291.20895	2.7
293.22354	2.0
297.29083	1.6
299.20071	24.5
301.21655	4.3
303.23331	2.6
305.22684	1.7
309.22141	2.3
315.23135	5.5
317.22720	2.7
319.24298	2.3
321.22113	2.1
321.25699	3.4
323.23538	3.6
325.25540	1.9
327.23291	2.1
335.23761	3.6
339.23221	3.4
341.24744	4.6
352.16711	1.6
353.24908	2.8
367.26230	6.4
375.30536	3.4
377.32068	1.9
387.30469	6.8
393.31622	11.0
403.30139	1.9
405.31577	28.0
411.28641	2.6
421.31064	16.8
423.32617	47.1
433.31049	23.9
439.32095	14.6
441.33359	4.2
451.32132	50.7
452.32590	2.1
469.33197	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03931	3.2
55.01877	3.0
55.05513	17.5
57.07080	2.6
67.05515	16.3
69.03426	6.5
69.07072	20.5
69.66705	3.4
69.67113	9.7
71.03957	2.6
71.05016	3.1
79.05495	23.3
81.07063	45.2
83.04972	7.3
83.08630	12.6
85.02917	3.8
91.05473	28.3
93.07047	50.5
95.04955	11.1
95.08611	66.3
97.06535	14.3
97.10190	5.6
97.41548	2.2
99.08089	9.2
105.07036	76.4
107.04960	2.7
107.08598	71.6
109.06523	8.8
109.10168	32.8
111.08071	6.7
115.05453	3.8
117.06953	11.0
119.08584	96.0
121.06513	8.3
121.10148	61.9
123.04429	3.4
123.08057	9.3
123.11723	11.4
125.05955	2.6
125.09633	2.9
128.06248	3.9
129.07024	8.3
130.07800	3.4
131.08566	57.9
133.06506	3.8
133.10132	70.0
135.08078	9.4
135.11671	20.8
137.06001	3.6
137.09610	6.7
137.13248	4.6
142.07790	5.2
143.08588	21.1
144.09367	3.0
145.10127	89.6
147.04385	6.6
147.08049	4.2
147.11691	40.0
149.09634	9.0
149.13257	22.0
150.58040	2.6
153.01845	2.9
153.09016	3.9
155.08548	4.7
156.09373	5.1
157.10150	28.8
158.10954	6.2
159.08101	2.9
159.11690	56.7
161.09641	10.3
161.13257	35.0
163.03925	4.8
163.07652	3.0
163.11201	9.6
163.14853	29.9
165.12816	2.8
167.08522	3.6
169.10133	6.3
170.10930	7.1
171.11662	21.6
172.12491	3.4
173.09560	5.9
173.13268	60.2
175.11263	9.7
175.14832	51.3
176.11963	2.7
177.12788	5.5
177.16394	23.1
181.10130	2.8
183.11703	10.1
185.13272	24.6
187.11346	3.0
187.14815	81.8
189.12756	9.0
189.16383	35.4
191.14316	68.4
191.16090	2.8
191.17970	8.6
193.12263	4.7
193.15962	2.4
195.11784	4.0
197.13255	8.2
199.14821	32.1
201.12804	8.1
201.16393	100.0
203.14296	28.0
203.17963	37.6
205.15891	34.5
205.19562	3.6
207.13924	3.0
207.17538	3.6
209.13382	3.5
211.14853	9.1
213.16307	16.6
215.07085	3.9
215.14311	4.7
215.17993	10.4
217.15926	18.5
217.19565	4.9
219.17352	6.3
221.15372	45.4
223.17035	4.6
227.18053	7.5
229.15897	5.6
229.19608	5.0
231.13763	3.2
231.17554	7.0
233.15459	3.1
235.16803	3.5
238.67490	2.7
239.17943	4.0
241.19539	4.4
243.17355	2.8
245.15402	10.0
247.16933	19.9
249.18556	6.3
253.19701	3.0
259.09729	3.5
259.16989	5.2
263.16388	3.7
266.87350	2.6
267.21082	2.5
277.10800	3.0
295.24423	3.1
331.07840	3.8
387.30533	7.4
393.31589	7.1
405.31583	36.7
407.33191	4.5
421.31049	5.8
423.32584	56.2
425.34259	6.0
433.31213	12.0
439.32071	4.6
451.32132	26.7
453.69193	2.6
469.10605	4.8
469.33423	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03938	3.5
55.05515	22.8
57.03403	1.6
57.07067	5.3
57.48975	1.6
59.85430	1.6
62.35212	1.8
65.03934	2.2
66.04729	1.5
67.05505	17.9
69.03428	6.6
69.07072	17.7
70.80025	2.9
70.80341	3.0
78.30685	1.7
79.05497	27.9
81.07059	44.4
83.04976	13.7
83.08625	12.8
85.06517	2.4
87.04449	1.5
91.05481	34.1
92.84897	1.5
93.06493	3.3
93.07050	56.4
95.04970	10.1
95.08612	52.4
97.06541	10.3
97.10152	4.0
99.08101	16.8
103.05450	2.7
105.04482	2.1
105.06329	3.5
105.07033	73.3
107.08598	69.9
109.06555	9.3
109.10162	30.3
111.08076	7.6
115.05426	2.0
117.07009	14.5
119.04953	1.7
119.08583	100.0
120.82191	1.5
121.06526	8.3
121.10141	43.9
121.45132	1.8
123.04465	3.1
123.08083	11.7
123.11725	10.0
125.05989	3.1
125.09625	5.6
128.06247	3.7
129.06982	6.9
130.07765	2.7
131.08560	59.8
133.06436	2.1
133.10133	64.2
135.08054	11.0
135.11693	21.9
137.05988	5.4
137.09619	7.5
137.13223	4.6
139.11230	1.8
141.06975	2.9
141.09132	4.2
142.07773	7.4
143.08545	22.3
144.09315	6.0
145.10129	71.5
147.04425	3.8
147.08052	6.4
147.11690	84.9
149.09612	7.7
149.13269	23.1
151.11177	2.9
153.09163	3.1
155.08588	8.9
156.09343	8.0
157.10146	39.0
158.10905	2.4
159.08083	2.5
159.11697	59.0
161.09619	8.8
161.13251	23.0
163.03894	5.3
163.11180	10.4
163.14816	16.6
165.09154	4.0
167.08546	2.6
167.10666	2.6
168.09427	2.0
169.10161	13.0
170.10910	5.2
171.11690	32.7
172.12485	3.6
173.09628	5.1
173.13263	44.5
175.07581	2.0
175.11195	7.1
175.14845	26.6
177.12744	4.5
177.16393	15.8
179.08699	1.8
179.10616	3.2
179.14301	1.8
181.10080	4.2
182.10883	2.9
183.11708	18.2
184.12413	3.4
185.09677	2.4
185.13275	30.0
187.11131	4.1
187.14844	45.7
189.12720	7.2
189.16397	15.9
191.14340	11.2
191.17946	2.6
193.10110	2.1
193.12315	2.7
195.11678	6.0
195.13603	2.4
196.12553	2.5
197.13249	13.5
199.11121	1.9
199.14844	30.9
201.12750	5.4
201.16397	60.4
203.14293	16.0
203.16093	1.7
203.17920	10.1
205.12323	2.1
205.15877	27.7
207.11728	2.8
209.13310	8.6
210.13980	2.1
211.14772	12.1
213.12726	3.1
213.16385	11.2
215.14377	6.7
215.17984	6.5
217.15848	13.1
217.19518	2.5
219.13715	3.0
219.17439	14.1
221.13275	3.9
221.15356	6.1
221.19197	2.0
223.14798	4.8
223.16846	2.8
225.16353	9.6
227.14302	2.4
227.17844	3.4
229.15877	10.6
229.19492	2.7
231.17398	5.9
233.15448	3.3
235.14784	3.9
235.17007	5.5
237.16423	5.5
239.17972	4.8
241.19472	4.5
243.17421	6.4
243.21051	2.2
245.18976	2.7
247.16930	7.1
249.16389	2.3
249.18614	2.5
251.17952	2.9
253.19528	7.3
255.17378	3.2
255.21118	5.9
259.20465	3.2
261.18567	2.7
263.17947	2.4
267.21045	2.4
269.22659	4.1
273.21866	1.6
279.21124	3.6
281.19061	3.7
281.22299	1.8
287.20184	2.5
293.22665	2.6
299.20206	8.8
301.21597	3.5
309.22095	2.0
315.23129	2.0
323.23776	3.5
325.25183	2.4
333.25861	2.8
335.23618	3.4
341.24640	2.1
347.27203	3.7
351.26904	3.0
353.24875	2.3
365.28458	8.2
367.26230	3.5
369.24158	2.6
387.30405	6.0
393.27466	3.8
393.31842	3.6
403.30084	2.2
405.31656	25.3
411.28622	16.9
421.30966	5.6
423.32617	36.5
433.31201	16.8
439.26160	1.7
439.31989	8.7
441.33362	4.8
451.26636	2.1
451.32260	40.3
469.14465	3.0
469.33469	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03918	4.0
55.05518	15.3
57.07070	5.0
58.51977	2.9
59.96732	2.7
67.05511	21.4
69.03436	3.9
69.07069	28.7
70.78046	7.4
71.04967	3.8
79.05507	18.3
81.07059	35.1
83.04973	6.5
83.08602	14.5
87.10925	2.9
91.05472	23.9
93.07053	40.9
95.04951	5.5
95.08616	67.4
97.06562	4.2
99.08119	5.4
105.07028	54.2
106.35619	3.0
107.04945	3.8
107.08593	75.8
109.06519	5.7
109.10157	48.3
111.08080	7.1
117.07040	9.3
117.79738	3.4
117.80630	3.7
117.84180	3.0
119.07727	5.1
119.08588	100.0
121.06489	5.0
121.10151	67.8
123.08084	3.7
123.11713	13.7
125.09586	4.7
125.57576	3.0
129.06973	6.2
131.08574	32.0
133.10127	43.7
135.08081	6.0
135.11714	31.8
137.09613	6.1
137.13289	5.7
142.07797	6.4
143.08641	17.8
144.09383	7.2
145.10132	78.3
147.11674	33.4
147.89641	3.3
149.09602	6.1
149.13269	29.6
151.11223	6.1
155.08559	5.4
156.09325	8.3
156.47409	3.3
157.10150	40.2
159.11702	61.5
161.13283	26.9
163.07507	8.8
163.11220	22.2
163.14813	16.1
169.10117	6.5
170.10963	9.2
171.11674	26.7
172.12488	4.3
173.13251	43.2
175.14839	29.9
177.12775	6.8
177.16370	25.5
181.10123	6.2
183.10089	3.4
183.11681	11.2
184.12462	4.5
185.13301	18.8
187.14818	75.1
189.16405	22.7
191.18008	9.6
197.13222	5.9
199.14828	86.1
201.16393	68.4
201.18253	3.7
203.17953	8.5
205.15883	96.3
207.17462	5.4
209.13358	3.8
211.14885	4.0
213.16367	13.2
215.14383	6.5
215.17972	10.7
217.12082	3.8
217.15817	3.8
219.13884	4.3
219.17496	23.9
223.16937	27.8
225.16301	3.9
227.14333	4.0
227.18015	5.4
233.15433	18.3
245.15338	15.9
247.16956	3.8
253.19553	6.1
255.21201	5.7
259.20575	3.5
394.17682	3.9
405.31601	33.3
407.33139	13.9
423.32462	10.1
433.31207	8.7
449.07004	3.4
451.32166	29.4
466.83820	3.9
469.33694	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03954	3.6
55.05516	23.6
57.03435	3.2
57.07076	3.1
65.03953	2.4
67.05502	20.7
69.03423	4.3
69.07066	19.1
70.85032	4.4
71.05013	3.9
79.05503	27.8
79.75246	1.9
81.03412	4.5
81.07061	63.0
83.04987	73.5
83.08640	13.8
85.02907	5.2
85.06564	3.6
86.41099	2.0
87.00827	3.4
91.05483	28.5
93.07047	52.9
95.04970	22.6
95.08611	69.8
97.02904	3.2
97.06527	6.3
97.10146	4.5
99.08107	4.9
103.05559	2.1
105.07036	88.1
107.08600	69.4
109.02902	3.6
109.06532	9.0
109.10167	37.5
110.67169	2.0
111.04466	2.9
111.08086	6.1
115.05479	2.5
115.79957	1.9
117.07030	11.2
119.06136	2.4
119.08588	100.0
121.06524	5.2
121.10151	42.4
121.10952	4.1
123.04421	3.6
123.08076	14.7
123.10167	1.9
123.11714	14.8
125.09642	5.5
127.03904	3.9
128.06198	3.3
129.07037	6.6
130.07817	2.0
131.08582	45.7
133.06488	2.2
133.10139	68.2
135.08080	9.1
135.11696	25.2
137.09631	4.6
142.07782	4.2
143.08575	24.3
144.09326	2.6
145.10129	54.9
147.08066	5.2
147.11703	56.0
149.09666	4.7
149.13278	28.6
151.11269	4.0
153.09183	3.7
155.08594	3.8
156.09323	3.8
157.10130	26.6
158.10930	3.8
159.08058	2.6
159.11700	54.3
161.09651	8.3
161.13264	50.8
163.03922	3.5
163.07507	2.7
163.11165	6.4
163.14850	15.0
169.10185	5.8
170.10931	4.8
171.11725	14.2
173.09654	4.5
173.13289	40.0
175.11250	10.1
175.14848	31.2
177.09044	2.5
177.12823	5.3
177.16360	15.9
181.10143	2.6
183.11707	10.8
185.13284	37.5
187.14833	37.9
189.12750	5.2
189.16368	24.1
191.14258	13.7
191.17995	7.6
193.15927	4.4
193.45515	2.3
195.11688	2.9
197.13301	7.1
198.13951	2.2
199.14830	22.9
201.12936	4.7
201.14586	4.5
201.16400	64.9
203.14340	34.7
203.17955	28.9
205.15871	22.2
209.13425	3.1
209.15422	4.4
211.14853	4.4
213.16382	19.0
215.14342	4.7
215.17982	9.0
217.15948	18.8
219.17500	13.6
221.15410	3.7
225.16403	6.5
227.14374	2.1
227.17982	5.6
229.15921	8.7
229.19426	2.5
231.17438	8.1
233.15375	5.0
233.18906	3.2
237.16406	3.7
239.18112	4.4
241.19475	5.2
245.15378	7.4
245.19006	2.7
247.16884	15.4
249.14810	17.7
253.19579	4.0
259.16995	4.0
259.20807	3.1
261.14621	4.8
263.16367	3.1
267.21014	3.8
277.17966	2.8
287.20090	3.1
289.63892	2.4
347.27393	2.3
355.26221	3.2
387.30408	5.6
393.27933	7.1
405.31555	26.0
407.33371	4.3
411.28824	12.6
423.32623	32.7
433.31305	11.9
451.32199	23.4
469.33383	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05514	21.0
57.07067	6.0
64.10220	3.4
65.03963	4.6
67.05507	19.8
69.07065	19.8
71.04997	3.6
79.05499	20.4
81.07063	38.2
83.04971	5.9
83.08620	13.7
85.06507	4.4
86.95152	4.0
91.05493	35.8
93.07046	52.7
95.08609	61.8
97.06537	6.2
97.10181	3.6
99.08093	9.2
103.05513	6.4
105.07034	66.1
107.04921	6.7
107.08601	78.8
109.06519	6.6
109.10168	43.8
111.08044	9.0
117.07013	17.3
119.08588	100.0
121.06504	5.0
121.10142	72.0
123.08045	6.2
123.11694	19.3
125.09638	4.8
129.06989	8.4
131.08565	35.0
133.10130	53.4
135.08101	6.3
135.11673	34.4
137.09615	6.6
137.13258	4.4
142.07825	10.2
143.08568	29.4
144.09433	3.6
145.10136	99.6
147.11697	36.1
149.09634	8.9
149.13252	23.4
155.08556	3.7
155.68198	4.3
156.09358	8.9
157.10138	50.6
158.10956	6.8
159.11710	61.1
161.09631	4.6
161.13286	32.1
163.11201	23.0
163.14832	15.7
169.10123	11.0
170.10956	8.0
171.11688	26.7
172.12521	5.2
173.09573	3.5
173.13257	43.1
175.11250	3.9
175.14896	35.1
177.12746	6.9
177.16380	29.1
183.11717	14.4
185.13287	51.0
187.14818	74.0
189.16354	25.5
190.16838	3.8
191.14301	6.4
191.17992	6.8
195.11647	3.9
197.13280	12.9
199.14857	65.3
201.16373	55.5
203.14365	6.3
203.17896	4.6
205.15883	79.4
207.17497	5.1
211.14821	4.8
213.16402	10.6
215.14360	5.4
215.17952	12.5
217.15836	8.6
219.13898	4.2
219.17474	15.2
223.14957	5.2
223.16995	15.9
225.16403	5.6
227.17950	6.7
231.13799	7.8
233.15352	11.9
239.17923	6.0
241.19655	4.4
245.15402	8.6
255.21100	4.5
387.30453	6.7
389.32181	4.3
405.31598	38.0
407.33142	11.1
423.32742	18.3
433.31171	8.6
451.20963	4.0
451.32178	31.9
469.33664	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3315
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05513	19.1
57.07064	6.4
59.04990	4.6
65.03940	4.3
67.05502	18.3
69.07073	23.4
79.05502	26.6
81.06639	5.1
81.07058	35.4
83.08633	16.1
85.06520	3.3
91.05479	25.0
93.07052	58.7
94.75009	3.9
95.05007	3.4
95.08619	56.9
98.20714	6.6
99.08070	13.0
100.11266	3.1
105.07038	55.9
107.07887	6.2
107.08593	85.5
109.06555	5.7
109.10155	41.8
111.08067	8.6
117.07027	12.3
119.08588	100.0
121.06529	3.2
121.10148	65.0
123.08058	6.6
123.11704	19.9
128.06212	4.6
129.07004	9.4
131.08572	50.3
133.06456	3.3
133.10129	61.5
135.08073	4.4
135.11687	45.1
137.09633	6.7
137.13239	5.1
142.07764	5.1
143.08566	21.2
144.09377	6.1
145.10129	76.5
147.11700	73.7
148.41277	3.1
149.09651	8.4
149.13304	20.1
151.11145	6.0
153.12686	7.1
156.09335	6.3
157.10153	45.6
158.10887	4.0
159.11700	63.6
161.09628	4.8
161.13246	35.3
163.07547	5.3
163.11168	18.9
163.14841	11.3
165.12802	7.5
169.10141	10.3
170.10916	9.8
171.11649	26.8
173.13254	47.7
175.14799	28.2
177.12755	15.5
177.16408	21.6
181.10114	4.1
182.10965	5.6
183.11699	20.6
183.94606	4.2
184.12410	6.2
185.09644	3.5
185.13261	36.0
187.14828	72.0
189.16380	19.9
191.14316	5.7
191.17923	7.1
195.11713	5.6
197.13242	13.0
199.14806	61.8
201.16397	56.7
203.14401	8.0
203.17982	10.5
205.15892	67.8
209.13274	7.4
211.14828	11.5
213.16431	14.5
215.17960	13.8
217.15910	10.3
219.17476	15.3
223.14841	6.3
223.16954	13.3
225.16393	7.5
227.17981	9.0
231.17354	8.2
233.15300	9.7
233.18988	6.2
235.14832	5.0
237.16524	6.5
239.17957	6.0
241.19495	4.9
245.15445	6.2
245.19049	5.9
253.19305	7.5
265.19672	5.5
269.18912	4.1
271.20758	4.5
283.20578	58.0
351.26819	12.2
355.87527	3.2
387.30536	6.1
405.31625	46.6
407.32837	3.9
423.32675	55.8
433.31134	15.8
437.60190	3.5
451.32300	30.7
469.33701	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	469.3319
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05502	16.2
57.07067	10.2
67.05518	21.1
67.05807	4.4
69.07065	20.0
69.24274	16.4
69.24703	21.4
79.05484	16.8
81.07059	36.8
83.04978	14.7
83.08625	13.6
85.06561	5.3
91.05482	29.6
93.07052	45.4
95.04969	5.7
95.08615	63.6
97.06556	6.2
97.10146	5.9
99.08083	11.3
99.67326	3.8
105.07033	66.5
107.08596	89.4
109.06506	7.1
109.10167	35.7
111.08121	7.3
116.36895	4.2
117.07029	9.7
119.07860	3.6
119.08593	100.0
119.09409	3.5
121.06525	5.5
121.10155	62.3
123.08095	4.9
123.11709	17.4
125.09592	5.2
129.06998	4.9
131.08591	49.2
133.10144	55.0
135.08090	7.7
135.11725	40.3
137.09619	7.0
137.13277	6.6
142.07802	4.8
143.08578	16.6
144.09373	8.1
145.10129	88.6
147.11705	58.5
149.09660	9.8
149.13280	25.6
151.11121	6.1
155.08530	6.8
156.09377	4.4
157.10139	44.3
158.10916	4.9
159.11702	63.9
161.13252	32.9
163.07547	7.0
163.11243	16.3
163.14795	20.0
169.10121	8.7
170.10921	8.1
171.11707	30.4
173.13268	38.1
175.14841	28.8
177.16399	27.5
183.11685	17.3
185.13318	29.4
187.14851	78.3
189.16403	25.4
191.14362	4.7
191.17943	6.5
195.11652	5.4
197.13272	14.7
199.14813	64.2
201.12665	4.7
201.16391	77.4
203.14404	8.8
203.17900	5.8
205.15903	89.1
207.17448	4.9
211.14806	7.9
211.24042	4.0
213.16333	12.6
215.14401	5.3
215.17892	12.0
217.15857	14.3
219.17445	17.8
223.15015	5.0
223.16922	21.2
225.16489	6.2
227.17950	4.0
229.15971	5.8
233.15437	12.0
233.18922	5.4
239.17979	6.0
245.15399	11.8
253.19554	5.7
267.20959	5.0
272.62393	4.1
283.20245	4.7
339.22815	4.4
365.28293	7.8
365.68683	4.3
405.31561	40.9
407.33069	8.1
411.28986	10.5
423.32709	25.2
433.31027	13.5
451.32156	35.0
469.33417	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.62174	2.7
55.05521	18.4
55.80508	3.0
57.07082	4.4
67.05505	15.6
69.07070	11.8
69.53600	20.5
79.05492	23.5
81.07061	38.1
83.08597	9.2
90.16801	2.9
91.05483	36.3
93.07047	52.7
95.08614	47.2
97.06544	4.2
99.08093	20.1
104.48042	3.6
105.07031	78.7
106.75903	3.2
106.76713	3.0
107.08601	70.9
109.06528	3.7
109.10172	25.9
117.07031	10.1
119.08582	100.0
121.10146	67.2
123.08069	7.1
123.11713	9.9
128.06310	3.3
129.06995	5.8
131.08571	57.8
133.10138	78.2
135.08052	6.3
135.11702	30.5
137.09610	39.4
137.13272	3.8
142.07773	6.3
143.08562	16.2
144.09393	5.2
145.10136	51.6
147.11690	66.0
148.70827	3.1
149.09593	30.3
149.13263	12.7
151.11218	7.3
155.08539	4.8
156.09393	3.8
157.10114	23.1
158.10927	5.5
159.11711	47.8
161.13261	21.8
163.11176	5.2
163.14828	9.2
169.10158	9.7
170.10849	5.2
171.11697	19.4
172.12361	4.0
173.13260	43.7
175.11285	6.6
175.14822	42.5
177.12804	17.0
177.14067	3.2
177.16386	11.1
183.10249	4.1
183.11700	9.1
185.13335	16.8
187.14819	50.4
189.16359	20.5
191.14326	12.7
195.11778	3.9
197.13277	7.3
199.14803	12.2
201.16391	54.3
203.14326	6.3
203.17899	7.8
205.15921	11.6
207.17395	5.9
209.13440	7.1
209.15361	17.3
211.14891	10.0
213.16435	25.0
214.17067	4.2
215.14255	3.6
215.17938	41.7
217.15948	9.6
219.17522	11.4
221.13173	4.9
223.14851	6.2
225.16417	9.5
227.17879	4.5
229.15701	3.2
231.17560	8.7
233.19101	5.1
239.18047	4.8
247.16942	3.8
263.17908	3.5
277.19388	3.4
310.69479	3.2
317.22742	3.5
333.25809	6.7
338.57211	3.3
365.95255	3.5
387.30673	6.5
391.30020	4.0
405.31564	70.2
423.32770	39.5
433.30957	13.0
451.32123	85.4
469.33136	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.00632	5.2
55.05506	19.9
67.05502	14.1
69.07072	32.0
69.51751	35.9
70.35718	5.1
73.58691	4.7
74.35538	5.0
79.05509	16.4
81.07064	26.0
83.08624	20.6
91.05487	18.8
91.34215	5.2
93.07045	40.6
95.08617	44.4
97.10173	5.4
105.07027	44.7
107.08603	69.2
109.10171	32.6
111.10610	5.1
117.07030	9.2
119.08585	90.0
121.10146	52.9
123.11720	11.3
124.31110	5.3
125.09609	10.9
131.08548	24.5
131.12422	6.1
132.85106	5.0
133.10149	53.5
133.87602	5.2
135.11696	35.2
143.08559	16.0
145.10120	52.6
147.11725	39.9
149.09576	9.0
149.13193	14.1
151.14815	6.4
153.09122	8.9
155.08563	5.3
157.10123	22.4
159.11754	41.5
161.13313	25.4
163.14807	26.4
171.11717	24.6
173.13286	55.8
175.14853	39.4
177.16394	14.0
179.10739	7.5
183.11775	12.4
185.13295	34.7
187.14821	67.6
189.16429	23.1
197.13219	10.9
199.14864	42.4
201.16418	39.8
203.14357	6.9
203.18011	9.8
205.15875	10.0
205.26903	5.6
207.13899	7.4
209.13205	10.6
211.14877	7.4
213.16377	19.4
215.17885	6.6
217.15788	9.3
222.98772	5.6
223.16936	9.9
225.16385	8.9
227.17915	10.7
231.17407	10.2
233.15428	13.2
235.16983	9.9
237.16284	7.2
241.19684	5.4
245.15437	7.5
253.19293	6.5
259.16989	7.2
273.18607	8.4
301.21582	6.3
321.21979	5.9
341.37442	6.1
353.24719	6.5
363.30237	8.5
405.31473	30.5
409.30957	9.6
423.32590	100.0
433.30826	18.2
450.14865	6.7
451.32153	43.9
469.33350	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.33421	3.0
55.05498	13.1
67.05515	17.6
69.07073	17.3
70.62480	7.9
79.05495	18.4
81.07050	39.7
83.05020	3.4
83.08618	18.7
91.05484	27.4
93.07052	41.5
95.04995	5.8
95.08614	54.2
97.06544	7.1
99.08136	3.9
105.07034	48.0
107.04993	3.6
107.08598	83.4
109.10162	42.5
111.08077	6.3
117.07008	9.5
119.08593	100.0
121.06544	5.7
121.10149	66.7
121.44695	3.2
123.08076	7.4
123.11713	17.2
125.09640	4.9
129.07037	7.5
131.08594	35.2
133.10141	45.0
135.08069	3.9
135.11705	32.6
137.09590	5.4
142.07771	4.4
143.08554	16.5
144.09326	8.4
145.10123	90.4
147.11696	40.7
149.09628	9.0
149.13278	19.9
151.11194	6.0
156.09332	11.6
157.10150	42.6
158.10875	5.3
159.11697	61.0
161.13261	20.1
163.07498	8.8
163.11151	18.3
163.14845	16.3
169.10074	6.0
170.10899	6.6
171.11697	25.9
172.12431	4.1
173.13286	44.0
175.14876	31.1
177.16418	27.5
183.11705	13.6
183.81645	3.3
184.12584	5.6
185.13324	27.8
187.14818	76.1
189.16389	28.3
191.14395	4.6
191.17905	10.4
196.12369	3.7
197.13252	5.2
199.14830	76.9
201.16386	66.9
203.18011	5.8
205.15892	91.6
205.19247	4.7
207.17448	7.5
211.14763	5.3
213.16428	14.9
215.14366	4.9
215.17992	12.0
216.63271	3.6
217.15846	9.6
219.17363	15.6
223.14967	4.8
223.16924	25.3
225.16306	6.1
227.17989	6.0
231.17499	6.8
233.15388	20.0
233.19078	7.0
239.18001	4.3
241.19521	6.2
245.15385	10.7
247.16919	5.2
253.19466	4.9
380.71170	4.5
405.31699	31.9
407.33032	8.8
421.30698	4.1
423.32471	17.7
425.34219	4.5
433.31088	10.6
451.32120	34.9
469.33630	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	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03938	4.8
55.05517	7.8
67.05515	10.7
69.03465	3.5
69.07076	8.7
69.50153	24.3
74.30908	3.7
79.05498	18.9
81.07072	20.9
83.08605	5.3
91.05488	21.0
91.16943	3.7
93.07063	36.8
95.08621	16.3
97.10167	3.7
98.21564	6.7
99.08085	10.3
99.21234	3.8
105.07042	34.4
107.08614	45.0
109.06570	3.9
109.10168	26.2
119.08596	55.8
121.06548	4.2
121.10148	32.1
123.11726	10.9
129.07031	5.5
131.08580	25.0
133.10147	43.7
135.11725	18.2
143.08607	14.7
145.10135	34.1
147.11693	21.9
149.09641	100.0
149.13248	12.9
151.11176	5.0
155.08568	5.5
157.10115	21.8
159.11685	24.7
161.09590	4.4
161.13261	16.8
163.11194	46.2
163.14801	9.2
169.10080	5.6
171.11646	18.8
173.13266	20.9
175.14862	18.2
177.12839	7.4
177.16432	8.5
179.14349	3.8
183.11737	10.8
185.13298	29.4
187.14842	37.4
189.16437	13.6
195.11758	4.9
197.13310	5.2
199.14810	24.2
201.16341	19.4
203.14351	7.3
205.15968	11.3
211.14835	7.2
213.16478	14.0
215.14262	4.3
215.17886	8.2
217.15939	8.2
231.13664	3.8
231.17427	8.3
235.14854	5.6
237.16290	5.7
239.17896	4.5
245.19020	4.7
249.14792	4.9
251.18005	4.1
283.20648	9.2
333.25815	5.3
387.30502	7.4
405.31500	37.0
423.32782	51.1
433.30850	4.6
451.32199	29.7
469.33374	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.29969	5.0
53.03967	5.1
55.05520	23.0
56.34179	4.0
65.35658	4.6
66.68263	4.1
67.05515	26.0
69.07071	18.6
70.05856	19.7
75.60128	4.4
79.05497	23.5
81.07065	61.6
83.04983	91.4
83.08617	11.2
91.05499	28.1
93.07040	55.0
95.04971	21.5
95.08620	69.0
105.07027	78.8
107.08591	68.9
109.06512	10.4
109.10162	42.1
111.08092	6.3
117.07001	7.8
119.08585	100.0
121.10143	39.7
123.08086	12.3
123.11707	18.9
129.07028	9.3
131.08548	31.4
133.10132	60.9
135.11714	25.1
143.08591	24.7
145.10121	56.0
146.47099	4.8
147.11690	47.8
149.13271	29.8
151.11211	4.9
157.10147	29.4
159.11702	50.7
161.09601	8.6
161.13249	69.2
163.07590	6.4
163.14799	11.7
169.10107	6.1
171.11655	17.6
173.13254	36.7
175.14798	31.1
177.12781	5.1
177.16371	9.4
183.11743	7.3
185.13283	44.1
187.14830	33.6
189.16393	19.2
191.14331	14.5
191.17981	7.2
197.13370	8.4
199.14828	28.6
201.16382	45.9
203.14305	25.3
203.18010	13.2
205.15883	24.7
211.14822	10.9
213.16362	17.8
215.14442	5.4
215.18054	5.5
217.15857	15.6
219.13782	7.1
219.17329	11.1
227.17961	11.7
233.15353	5.9
233.19005	5.0
233.86905	4.1
239.17784	5.1
241.19540	7.7
245.15355	15.3
247.16945	12.2
249.14803	18.3
259.17062	5.7
261.14877	6.2
263.16333	5.4
318.70639	5.7
323.27399	6.5
355.26273	6.3
387.30316	6.4
393.27936	8.6
405.31381	29.0
411.29147	7.5
423.32529	27.0
433.30832	12.3
451.32199	34.3
469.33228	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
61.02910	1.6
69.03422	4.5
69.96466	8.1
76.52879	1.7
79.05490	2.8
81.03410	6.2
81.07036	1.9
83.04977	1.7
85.02914	4.0
91.05496	12.1
94.04182	3.3
95.04965	7.0
97.02884	3.0
100.11245	2.3
101.02387	2.4
103.05472	10.8
105.07008	4.1
106.00169	1.7
107.04950	3.5
109.06529	1.8
111.04436	4.7
115.04053	2.1
115.05439	5.0
117.07030	9.2
119.04972	9.2
119.08614	2.4
119.36810	1.5
121.06469	2.1
122.03675	8.6
123.04442	5.6
123.22764	1.6
128.06239	4.2
129.07004	5.9
131.04950	20.5
131.08582	2.3
133.06514	2.7
133.10123	2.2
135.08087	2.1
136.05214	2.2
137.06000	100.0
141.06993	4.4
143.04922	2.8
143.08614	4.0
144.05751	2.1
145.06496	15.0
146.03648	2.5
147.04430	23.9
147.08138	2.3
149.05992	12.9
151.03992	1.9
151.07556	25.0
152.06250	1.9
153.01823	6.2
153.05371	1.9
153.06972	3.1
155.07098	3.2
155.08525	3.3
157.06561	8.4
159.04457	2.5
159.08025	4.0
160.05179	5.1
161.06023	11.8
162.06772	2.8
163.03856	4.4
163.07552	29.0
165.05487	4.0
165.06952	1.5
167.07129	2.0
167.08495	3.3
169.06491	7.5
171.08063	4.1
173.06026	3.1
174.06796	3.5
175.07573	26.4
177.05489	14.0
177.09132	12.9
179.07071	10.0
181.05000	2.7
181.06480	4.6
183.08049	3.1
185.06027	5.8
186.06725	3.1
187.07547	10.2
189.09138	12.8
191.07057	8.5
191.10747	3.8
193.08615	10.1
195.08058	8.1
197.06027	3.2
198.06807	1.9
199.07608	5.0
201.09145	12.7
203.07004	8.0
203.10669	7.0
205.08672	5.8
211.07658	3.0
212.08327	3.2
213.09123	4.3
215.07057	4.7
215.10707	4.0
217.08656	9.3
219.10207	6.0
223.07581	3.5
225.09277	2.5
227.07045	3.5
227.10713	6.1
229.08621	7.4
231.10141	5.4
239.06972	1.7
241.08612	6.8
243.10231	3.2
245.08052	3.9
245.11740	5.2
247.09598	2.7
255.10208	3.8
257.11917	1.7
259.09677	2.7
263.09091	3.0
273.11276	15.6
285.11279	2.1
289.10822	4.3
291.12546	9.0
315.12466	3.6
321.11194	4.4
331.09879	2.5
331.13602	2.4
335.12689	2.9
337.14432	3.8
349.14008	1.9
365.13931	2.4
379.15579	2.6
403.15213	2.3
409.16629	2.4
433.16391	2.0
451.17386	6.3
451.32690	2.7
469.11676	2.8
469.18762	23.7
469.34036	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.6
55.01896	0.6
55.05515	13.4
56.96871	0.6
57.03440	1.7
57.07079	34.2
58.53083	0.6
59.05001	3.5
65.03944	2.2
65.08545	0.6
67.05508	100.0
68.05828	0.7
69.07069	7.9
69.46693	4.4
71.05000	3.0
71.08636	24.2
77.95448	0.5
79.05510	2.9
81.07059	28.7
83.08624	15.1
83.09128	0.7
85.06539	3.0
85.10184	13.1
89.06058	1.1
91.05494	6.5
91.28986	0.6
93.07047	4.2
95.05009	0.8
95.08611	25.2
95.43188	0.7
97.10167	6.1
99.08122	1.2
99.11771	1.1
107.08624	2.4
109.10162	74.3
110.10509	0.8
111.08094	2.3
111.11740	1.3
119.08584	4.6
123.11708	5.1
137.09604	3.6
137.13277	1.2
141.43082	0.7
151.14836	0.9
155.10667	5.4
155.46698	0.6
173.11746	22.9
239.23680	8.3
316.35391	0.6
467.37366	74.7
468.37836	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01154	1.3
55.01871	3.3
55.84862	1.1
65.03959	1.2
67.05514	1.7
69.03439	3.7
69.80068	1.3
71.01338	1.6
71.49041	1.3
79.05505	2.9
81.03420	4.9
81.07051	2.4
83.04964	1.4
84.60159	1.2
85.02927	1.8
89.03944	1.3
91.05481	9.1
94.04195	2.3
95.04972	2.6
97.02905	3.3
101.02366	2.9
103.05486	9.7
105.07052	2.8
107.04929	2.1
107.08588	1.2
108.43861	1.2
109.06548	1.5
111.04446	4.1
111.08144	1.1
115.03941	2.5
115.05477	4.8
117.07042	9.5
119.04968	7.3
119.08614	1.4
122.03660	8.7
123.04440	4.1
128.06224	1.9
129.07004	8.5
131.04948	18.3
131.08569	3.0
133.06502	3.7
135.04411	1.4
136.05244	1.4
137.05994	100.0
141.07018	4.3
143.04958	4.2
143.08548	2.5
144.05707	2.8
145.06483	14.4
146.03664	3.4
147.04431	20.3
149.05981	10.2
151.03842	1.6
151.07571	29.1
152.06174	1.6
153.01830	4.4
153.05502	1.3
153.07008	2.7
155.06046	2.1
155.08652	2.9
157.06500	6.4
159.04465	2.0
159.08081	5.2
160.05208	4.8
161.05989	10.0
161.09630	1.4
162.06737	1.7
163.03964	2.5
163.07559	23.0
165.05492	3.0
165.06926	1.6
165.09137	1.4
167.07120	2.3
167.08598	3.6
169.06471	5.0
171.08080	3.8
173.05977	1.9
173.09630	2.9
174.06784	4.9
175.07561	20.4
177.05484	13.9
177.09111	16.8
179.07085	8.6
181.05098	1.8
181.06540	3.3
183.08089	3.5
185.06015	4.1
185.09662	2.9
186.06828	2.2
187.07552	10.0
188.08350	2.6
189.05452	4.0
189.09105	10.3
190.06314	2.7
191.07033	6.4
191.10663	1.8
193.08658	5.3
195.08105	6.9
195.09988	1.9
197.06000	4.2
198.06801	1.5
199.07581	5.4
200.08308	1.6
201.05441	1.7
201.09082	9.0
203.06972	7.7
203.10640	5.9
205.08621	4.8
207.06567	2.0
207.10156	2.4
211.07614	3.9
213.05571	1.8
213.09155	7.3
214.06500	1.4
214.10393	1.4
215.07050	4.2
215.10640	2.7
217.08534	8.3
219.10196	4.7
223.07547	2.2
225.09128	2.7
227.07019	4.6
227.10628	5.6
229.08641	5.6
231.10164	4.1
233.08185	2.2
241.08679	3.7
243.10307	4.7
245.08145	3.6
245.11914	5.8
247.09752	4.1
253.08643	1.8
255.10167	4.2
257.08228	1.3
259.09720	3.3
264.18027	1.3
271.09726	2.2
272.10480	1.4
273.11285	14.1
287.12903	2.5
288.07846	2.0
289.10794	1.9
290.09503	1.4
291.12500	7.4
293.08121	1.6
297.11426	1.7
302.09451	1.4
303.12585	2.1
304.72910	1.3
309.11319	1.2
311.12698	1.4
315.12631	1.8
317.11862	1.5
321.11292	1.4
329.11588	2.0
330.09174	1.1
335.12869	2.7
337.14667	1.9
347.12918	1.5
350.11383	1.4
365.13834	2.8
373.14337	1.5
377.13675	2.0
379.15570	2.6
391.15564	2.9
395.15051	1.4
409.16577	1.9
421.16626	2.0
423.17657	1.5
433.16537	2.3
451.17587	5.3
451.25726	1.5
469.13239	2.5
469.18832	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.05514	10.2
57.03436	1.4
57.07078	30.2
59.05001	3.7
60.75633	0.7
65.03944	1.8
67.05508	92.8
69.07072	9.0
71.05001	2.5
71.08634	22.7
79.05492	2.9
81.07058	25.4
83.08622	15.8
83.29832	0.7
85.06553	2.3
85.10185	12.3
88.13194	0.8
89.06020	0.8
91.05499	5.5
93.07050	2.9
95.08610	24.8
97.10169	3.5
98.21531	2.1
99.08106	1.2
105.07050	0.9
107.08615	2.4
109.10162	75.7
110.10483	0.8
111.08079	1.7
111.11709	0.9
119.08568	6.5
123.11714	4.5
125.13261	1.0
137.09666	3.0
137.13281	2.4
145.10101	1.2
151.14835	1.0
153.01797	1.4
155.10681	5.8
173.11755	24.4
201.75020	0.8
211.01381	0.7
221.22736	1.0
239.23697	8.0
280.54327	0.7
380.25989	1.6
381.26093	4.7
410.30716	2.7
411.30881	17.0
436.59534	0.7
467.37350	100.0
468.37860	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1189
Annotation	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
50.60762	0.9
55.01861	1.6
61.02926	1.3
64.66774	0.9
69.03419	2.2
70.40502	3.7
79.01842	2.7
81.03416	4.1
85.02914	6.2
97.02879	2.5
98.20860	1.8
107.01288	1.4
109.02894	1.1
125.02328	2.3
127.03912	3.3
135.04408	1.3
137.02357	100.0
137.03421	7.8
139.03893	3.3
143.03416	3.6
147.04417	1.5
151.04004	1.3
152.88512	1.0
153.01846	49.4
153.02956	3.5
163.03943	1.4
177.01819	1.5
179.03415	4.0
203.03426	2.9
226.76736	1.0
287.05460	3.5
305.06616	18.2
305.14929	2.1
329.06595	3.7
353.06287	1.5
373.94772	1.0
383.07645	1.4
431.09467	1.4
440.36349	1.1
467.21686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29203	0.4
53.03947	0.6
55.05493	0.5
57.03439	0.7
67.05518	0.5
69.03426	1.1
70.06547	0.4
71.23233	0.8
73.27973	0.4
75.04499	0.4
77.32918	0.3
78.04697	1.3
79.01847	1.0
79.05489	1.3
81.03404	1.0
81.07047	1.1
90.04267	0.4
91.05490	0.9
93.07030	1.0
95.04989	0.7
95.08572	1.0
97.02900	0.6
101.03259	0.4
103.05446	0.5
105.07018	1.9
106.04162	1.1
107.04961	1.7
107.08605	1.3
109.10173	0.6
115.05439	0.4
119.05001	0.4
119.08615	0.4
121.06497	0.5
121.10109	0.5
123.04443	4.0
124.05246	1.3
127.03923	0.5
133.06471	0.6
133.10136	0.4
134.03581	0.6
137.05974	0.5
143.03375	1.1
145.10144	0.6
149.05966	1.3
151.03885	0.8
151.07533	0.4
152.04732	1.8
153.00586	0.9
153.01840	18.1
153.02899	0.8
161.05978	1.4
161.94260	0.4
165.05499	0.4
167.07047	100.0
168.07529	1.1
177.05482	1.2
179.07094	0.6
181.08585	1.5
192.24115	0.4
193.08612	5.1
193.40027	0.4
204.87572	0.3
209.08089	1.7
211.09689	4.7
241.10791	0.9
267.12277	2.0
283.02274	0.4
285.13412	1.3
349.37851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3159
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03959	5.3
53.85143	3.8
55.05510	14.9
56.98240	4.1
57.33001	3.8
67.05518	20.3
69.07068	23.1
69.18856	4.5
70.33813	14.6
71.04984	4.9
79.05496	26.9
81.07069	34.5
83.04973	8.0
83.08627	10.3
85.58102	4.8
91.05482	24.2
93.07036	39.4
95.04971	15.4
95.08619	49.8
97.06556	9.6
99.08098	7.2
101.06048	8.6
105.07040	67.4
107.08599	69.2
109.06540	10.1
109.10156	26.7
117.07018	11.3
119.08586	95.7
119.09381	7.7
121.06498	6.8
121.10146	45.0
123.08090	5.7
123.11715	15.9
129.07033	9.1
130.07817	7.1
131.08582	57.1
133.10124	63.5
135.08055	9.3
135.11699	15.3
137.09589	4.8
143.08577	24.4
144.09402	5.1
145.10121	68.1
145.11177	6.7
147.11697	43.8
149.09616	8.8
149.13237	18.8
153.01849	11.9
153.09041	4.6
155.08551	15.2
156.09370	6.5
157.10120	32.8
159.11700	50.7
161.09637	11.0
161.13278	29.2
163.11205	12.0
163.14900	15.2
169.10144	17.8
170.10980	4.3
171.11688	25.6
173.09654	6.7
173.13258	52.2
175.11176	6.5
175.14830	69.3
177.12750	19.8
177.16422	7.4
181.10112	7.8
182.10829	7.3
183.11790	18.5
185.13306	23.7
187.14847	51.8
189.12820	7.2
189.16437	18.4
191.14330	69.7
195.11725	9.8
197.13315	21.7
199.14833	31.4
201.12738	9.5
201.16403	44.6
203.14386	22.3
203.17952	19.8
205.15947	10.9
209.13295	7.1
211.14816	13.3
213.16415	14.9
215.14293	9.7
215.17967	5.6
217.15912	12.3
219.13992	7.4
220.51971	4.6
223.14804	6.4
225.16327	10.6
227.14279	8.5
227.17918	10.2
229.15929	8.6
231.17479	6.4
237.16405	11.8
239.17972	9.3
245.15474	7.8
247.16916	9.6
251.17941	6.6
253.19591	7.9
287.26505	4.3
299.19952	5.3
307.24179	6.5
315.20346	4.9
325.21078	4.6
336.28223	4.7
353.24606	4.8
385.28827	8.8
403.29935	30.7
409.27811	5.4
421.25977	6.1
421.31165	60.2
423.28970	19.3
431.29486	6.0
437.30374	5.8
439.32114	5.8
449.30655	40.7
467.31711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
51.02377	0.8
53.03944	0.3
55.01880	0.3
55.05491	0.2
60.67907	0.2
66.39033	0.2
67.05508	0.2
69.03426	1.2
69.07063	0.2
69.51474	1.4
70.19285	0.2
75.35140	0.2
79.01858	5.7
79.05492	0.3
81.03416	1.2
81.07059	0.4
85.02913	0.4
87.00859	0.2
91.05477	0.4
93.07042	0.4
95.04959	0.2
95.08650	0.3
97.02887	1.2
98.20801	0.2
99.04459	0.2
105.07040	0.6
107.01303	1.3
107.04939	0.3
107.08604	0.5
109.02874	0.8
113.61051	0.2
119.04978	0.4
119.08585	0.5
121.10107	0.2
123.00854	0.3
123.04449	0.6
125.02349	2.8
125.09634	0.2
127.03926	2.0
133.10112	0.3
137.06021	0.4
143.03407	6.3
143.08574	0.2
144.59778	0.2
145.10164	0.4
147.04433	0.5
153.01843	100.0
153.02908	6.2
154.02223	0.2
157.10150	0.2
159.11710	0.4
163.03963	1.3
173.13205	0.2
177.05533	0.2
191.03419	0.6
197.00381	0.2
213.03909	0.3
223.14526	0.2
237.03908	1.6
255.02921	0.2
261.04022	0.5
271.02621	0.3
279.05045	0.3
283.02469	1.7
284.03256	0.2
297.03378	0.3
297.06097	0.8
303.05020	0.4
304.05630	0.2
305.05630	0.4
312.85095	0.2
315.05026	0.5
403.48990	0.2
429.00400	0.2
435.07007	1.0
449.07089	1.4
467.09558	1.3
467.31641	0.2
469.37967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
69.03436	5.0
70.06610	0.4
70.53539	0.9
70.53874	0.4
71.04978	0.3
79.01856	5.4
79.05482	0.6
81.03421	1.2
81.07040	0.7
85.02927	0.4
91.05477	0.7
95.01401	0.4
95.08607	0.8
97.02911	1.9
105.07046	0.5
107.01320	1.4
107.04940	0.4
107.08617	0.8
109.02897	0.7
109.10176	0.5
119.04961	0.6
119.08592	0.9
121.10154	0.5
123.04411	0.4
125.02349	2.7
127.03922	3.8
133.10153	0.4
135.11798	0.4
137.06006	0.9
143.03407	5.3
145.02844	0.4
145.10205	0.4
146.52603	0.3
147.04401	0.8
147.14148	0.3
153.01839	100.0
153.02901	5.9
154.02151	0.7
159.04343	0.4
159.11765	0.3
163.03899	1.3
171.02924	0.7
177.05518	1.0
179.03352	0.6
179.07089	0.4
181.01247	0.5
183.02888	0.4
187.04005	0.4
187.14874	0.4
191.03365	1.7
205.05005	0.6
207.02899	0.9
209.04530	0.6
229.10887	0.4
233.04510	0.9
237.03941	2.1
240.42038	0.3
261.03876	0.4
297.05975	0.9
303.04926	0.7
305.05621	0.5
421.31525	0.3
467.09192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.5
51.02381	0.7
53.03939	0.4
68.23067	0.4
68.99790	0.8
69.03433	2.9
69.70435	2.5
71.37287	0.4
76.84225	0.5
79.01860	4.4
81.03419	1.3
85.02909	1.5
95.06100	0.9
97.02898	1.9
107.01334	1.1
109.02898	1.2
111.05561	1.4
119.04942	0.7
121.02879	0.6
123.04437	4.5
123.05508	1.0
125.02351	2.2
127.03914	3.1
135.04416	0.7
135.94604	0.4
137.02359	15.3
137.03403	1.0
139.03923	1.2
140.57503	0.4
141.06590	3.1
143.03419	6.0
143.08170	1.0
147.04405	3.7
149.02357	5.3
151.03914	0.8
153.01845	100.0
153.02905	5.6
159.07672	1.8
161.02263	0.5
163.03966	1.2
167.03419	0.6
175.04060	0.4
179.03421	1.4
185.06078	0.9
195.02957	2.4
203.03400	0.5
213.05466	1.0
219.03050	0.5
231.06577	3.9
237.03937	1.2
241.04967	0.7
259.06064	4.4
261.03976	0.6
287.05557	3.4
297.06232	1.4
303.04968	1.1
304.05286	1.1
305.06500	8.7
367.68042	0.6
467.18814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.4
51.02373	0.6
53.01531	0.2
55.01869	0.3
57.03438	0.2
69.03436	1.1
70.04762	0.8
78.07903	0.2
79.01410	0.4
79.01860	5.9
81.03412	0.9
84.44615	0.2
85.02910	0.3
87.00832	0.3
91.05484	0.2
97.02892	1.4
107.01323	1.7
109.02874	0.5
119.04977	0.2
123.00798	0.2
123.98736	0.2
125.02363	2.7
127.03928	1.9
129.91711	0.2
131.04912	0.2
143.03410	5.8
147.04460	0.3
153.01848	100.0
153.02914	6.3
154.02179	0.5
163.03963	0.2
165.25172	0.2
171.02980	0.3
191.03412	0.5
192.00894	0.2
230.93390	0.2
235.72646	0.2
237.04016	1.6
261.04175	0.4
279.05090	0.6
297.06158	0.7
305.15134	0.2
449.07202	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
54.65130	1.2
55.01870	2.1
55.05505	4.2
57.03427	5.4
57.07066	2.6
61.02921	3.0
67.05498	5.7
69.03432	13.6
69.07057	5.2
70.96178	2.8
71.05005	1.5
73.02911	9.2
78.49005	1.3
79.05489	8.5
81.03407	3.9
81.07059	100.0
82.07404	1.4
85.02911	23.3
87.04459	5.2
91.05457	2.0
92.44782	1.2
93.07037	4.2
95.04982	1.7
95.08604	18.1
97.02901	18.1
97.10168	2.9
98.10489	1.9
99.04492	1.9
105.07021	3.7
107.08579	3.9
109.02855	2.3
109.10163	4.1
109.87844	1.2
114.77985	1.3
115.03934	10.3
115.95166	1.2
119.08572	3.7
121.10139	2.4
125.09554	1.3
127.03941	5.7
127.16711	1.1
133.04977	15.8
133.10144	2.1
137.06006	1.4
137.13257	21.7
143.03392	1.4
145.04950	7.7
145.10107	3.0
147.11720	1.5
153.01804	8.0
159.11642	1.5
163.05992	3.5
176.28793	1.6
241.07021	2.2
243.69696	1.4
259.08084	2.8
295.10349	2.1
303.05185	1.6
304.05267	5.3
405.18732	1.2
410.12030	1.2
438.31131	1.4
448.28119	1.6
466.29257	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	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05498	2.2
57.03439	5.4
57.07077	2.6
59.04996	1.3
60.04497	1.0
61.02930	0.8
67.05512	4.7
69.03432	18.0
69.07082	4.5
69.47088	1.7
69.47501	4.5
73.02930	0.9
79.05492	9.3
81.03414	1.5
81.07059	100.0
82.07385	1.4
83.52632	0.7
84.48621	0.9
85.02914	14.2
87.04474	11.9
91.05499	1.7
93.07086	2.1
94.05331	0.7
95.04978	1.2
95.08612	21.3
95.09190	1.5
97.02898	17.0
97.06514	1.4
97.10279	0.9
98.78724	0.8
99.04458	1.3
105.07056	1.8
107.08578	1.2
109.06543	0.9
109.10152	2.9
115.03934	26.0
115.18584	0.8
119.08694	0.8
121.10094	1.0
123.11766	0.9
127.03941	2.5
133.04971	30.6
133.10135	1.1
137.13260	20.5
145.04971	3.4
149.13292	0.8
150.07635	3.6
153.01843	2.9
153.12921	0.8
169.04988	1.0
174.28882	1.0
223.05878	1.0
241.07124	1.1
254.17970	0.8
259.08081	1.7
295.10315	2.6
304.05444	2.0
380.72882	0.9
466.28851	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41526	1.3
53.91491	1.2
55.05515	40.2
57.03430	3.0
57.07076	14.3
59.04995	5.4
62.06625	1.0
65.03938	3.1
67.05509	100.0
69.07072	36.4
71.04987	4.0
71.08629	9.2
71.50665	1.2
79.05513	3.8
81.07056	13.3
83.08624	34.2
85.06531	2.5
85.10182	4.7
88.98650	1.4
89.06033	1.7
91.05466	7.6
93.07048	3.7
95.08625	6.8
97.10172	23.4
97.64016	1.2
98.98537	1.2
105.07094	1.5
107.08591	2.7
109.10162	73.0
111.08102	3.2
111.11705	9.5
119.08582	5.8
121.10106	1.9
125.13283	3.7
127.37084	1.3
133.06480	1.1
135.11708	1.4
137.02289	1.2
137.09615	3.5
155.10620	5.7
166.96812	1.2
173.11748	27.8
173.13217	2.0
229.14424	1.2
237.22096	2.5
285.97784	1.2
303.04968	12.2
353.24908	1.3
465.35773	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83128	3.8
55.05301	4.2
55.05515	39.3
57.07083	25.3
63.72922	4.2
67.05507	65.9
69.07075	47.1
69.25941	8.6
69.26347	27.5
71.08632	26.1
79.05498	10.5
81.07061	24.3
83.05000	7.3
83.08626	33.7
85.06523	5.6
85.10174	12.5
89.06021	7.4
91.24886	3.9
93.07056	5.9
95.08597	12.6
97.06527	6.3
97.10171	19.0
98.21564	8.1
103.40753	4.4
107.04964	7.2
109.10155	49.0
111.04435	9.9
111.08081	7.3
111.11725	9.3
119.08585	6.4
121.10184	4.4
125.02359	12.3
125.05988	13.3
127.03907	8.8
135.52162	4.0
137.09619	5.1
139.03914	6.6
142.40854	4.0
151.03955	4.2
153.05478	93.2
155.07001	5.2
167.07042	6.5
167.10742	4.3
173.11780	20.2
181.04901	5.6
181.08672	6.1
189.16521	4.0
195.06554	4.0
199.06030	88.2
255.12361	5.2
269.13861	6.4
279.19577	5.8
283.15582	4.4
303.01849	4.4
303.05035	18.3
311.18405	6.3
316.30234	4.0
325.20224	4.7
339.21646	10.8
352.19849	4.5
409.29196	6.5
419.35291	5.6
465.35803	100.0
468.89017	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	465.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01865	2.6
55.05516	37.1
57.03433	2.4
57.07081	18.9
59.04998	3.9
65.03943	3.6
67.05510	100.0
68.05893	0.7
69.07073	41.3
69.51370	5.3
71.04982	3.4
71.08640	12.9
75.62383	0.8
79.05489	3.9
81.07062	17.5
83.05025	1.3
83.08625	37.6
85.06535	2.6
85.10192	4.8
89.06048	1.0
91.05484	6.0
93.07053	5.9
95.04974	1.0
95.08607	9.3
97.10175	29.9
98.20766	1.7
99.00809	1.7
99.04453	3.3
107.08594	4.0
109.06524	1.3
109.10163	80.3
111.04433	1.0
111.08091	3.2
111.11730	9.5
119.08625	6.1
121.10126	2.1
125.13288	3.2
133.10120	0.9
135.11739	1.2
137.05991	1.2
137.09694	4.1
139.03909	22.7
151.07549	1.3
153.05489	5.7
155.10678	8.4
163.03995	1.3
169.04999	1.8
173.11739	31.8
173.13194	1.7
177.14125	0.9
181.04968	33.4
181.06560	2.0
187.06035	0.8
209.08060	1.3
236.75497	0.9
237.22217	2.7
279.15817	0.9
303.04959	5.9
307.18927	1.0
401.34241	1.6
465.35834	85.6
466.36124	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3006
Annotation	Dihydrocochloxanthin
Peak:m/z	Relative Intensity
52.41811	2.9
53.03943	3.1
55.05514	13.5
57.03427	3.7
57.07059	3.6
67.05511	18.6
69.03397	3.0
69.07073	14.9
69.29406	7.7
69.29820	19.0
79.05509	20.9
81.07064	27.6
83.05000	6.9
83.08623	8.6
85.02901	5.9
91.05489	31.6
93.07050	29.1
95.04993	5.0
95.08620	30.5
97.06509	4.0
98.21588	6.4
105.07034	48.5
107.08598	35.1
109.10178	20.0
111.08060	4.0
117.07013	13.2
118.41059	2.8
119.08598	61.6
121.06495	4.7
121.10142	41.9
123.08026	3.6
123.11681	4.4
125.09655	5.2
126.02796	3.3
129.06987	8.7
129.22469	3.2
129.69798	3.0
130.07788	3.7
131.08598	26.0
133.10138	40.3
135.08044	3.2
135.11682	20.2
137.02345	4.5
137.09618	5.6
142.07817	5.3
143.08585	19.5
144.09348	3.5
145.10149	45.1
147.08049	16.9
147.11713	20.5
149.09650	4.8
149.13280	9.4
151.07593	3.6
153.09128	6.3
155.08603	8.7
156.09367	9.1
157.10150	23.3
157.64384	3.4
159.11697	25.3
161.09734	5.6
161.13248	22.6
163.11201	3.3
163.14740	3.6
165.09128	16.1
166.71082	3.3
167.10742	3.2
169.10101	15.2
170.10956	7.0
171.11661	22.5
172.12453	4.6
173.09624	3.1
173.13283	31.9
175.11182	5.7
175.14848	18.7
177.09113	5.0
179.10759	6.9
181.10168	6.1
182.10916	4.0
183.11737	14.1
185.09709	3.3
185.13284	21.4
187.11165	6.0
187.14859	33.6
189.09096	3.2
189.12744	8.9
189.16417	8.1
193.12241	7.7
195.11766	8.6
197.13223	15.3
199.11336	3.9
199.14845	23.4
201.16434	10.8
203.14294	6.2
205.12273	5.2
207.13773	3.6
209.13293	9.1
211.11406	4.6
211.13132	4.7
211.14842	10.2
213.12727	4.3
213.16397	12.7
215.14339	11.0
217.12294	4.7
219.13817	11.5
223.14897	6.3
225.16344	9.7
227.18004	4.5
229.04990	4.6
229.15833	6.1
231.13811	5.6
231.17409	4.1
233.15407	7.1
239.17984	9.4
241.15953	4.5
241.19566	8.8
243.13786	3.4
245.15398	10.0
247.17050	3.7
249.16574	4.3
251.17998	7.6
253.19548	10.7
257.04382	4.0
259.16992	7.2
261.14737	4.2
265.19373	6.8
267.21149	10.7
271.16931	4.1
285.18524	11.8
299.20215	4.5
303.04999	60.1
313.21643	4.2
317.22784	4.2
329.22702	4.3
333.22061	3.5
345.22394	6.4
363.23218	4.9
373.28995	9.2
379.22116	3.3
401.28448	35.8
403.29697	4.6
409.23859	5.2
419.29559	85.2
421.30807	6.0
429.28186	7.2
437.30658	9.2
447.28900	45.4
465.30038	100.0
466.31168	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	465.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
55.41729	0.2
61.13563	0.2
64.39227	0.2
65.03960	0.2
67.26568	0.2
68.99785	0.9
69.03440	0.4
70.61971	0.2
70.62292	0.4
74.55709	0.3
81.03416	0.6
85.02892	0.8
85.57673	0.2
93.03398	0.4
95.04982	0.4
97.02913	0.3
100.07678	0.2
107.23956	0.2
109.02863	0.7
111.00812	1.7
121.02841	1.2
123.04429	0.4
124.03973	0.3
127.03902	0.3
137.02342	4.1
137.06084	0.2
145.06538	0.3
149.02365	0.7
151.03857	0.2
153.01834	5.1
155.04863	0.4
159.04500	0.2
161.06017	0.3
163.03923	1.1
165.01859	2.8
166.02625	0.3
173.05986	0.5
183.02870	1.0
183.04326	0.4
187.03967	0.4
190.53911	0.2
191.03462	0.4
195.02843	0.4
201.05475	2.6
205.04959	0.3
213.05548	0.2
217.05058	0.2
219.02905	1.0
219.06485	0.4
227.17664	0.2
228.04231	0.3
229.04979	6.3
230.05295	0.3
231.02847	0.3
247.05948	1.1
257.04477	4.1
274.04767	1.1
275.05502	0.3
277.03409	0.5
284.25720	0.2
285.01031	0.2
285.03970	1.6
285.12378	0.3
288.05219	0.3
293.78967	0.2
301.07047	0.5
302.07376	0.5
303.04990	100.0
304.05362	1.4
465.10486	0.6
465.19287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.01862	1.6
57.03435	1.0
61.02922	1.7
67.05468	0.8
68.99798	1.6
69.03156	0.6
69.03436	7.1
71.04979	0.7
71.48811	0.8
73.02909	0.8
81.03413	2.7
85.02905	8.8
87.04466	0.7
87.64442	0.6
94.06529	0.8
94.23177	0.6
95.04915	0.8
96.36005	0.8
97.02892	3.1
99.04426	0.7
102.43184	0.6
107.04961	0.7
109.02863	2.5
111.00820	1.2
121.02840	0.9
123.04440	9.1
127.03905	4.2
131.04900	0.6
135.04326	1.4
137.02357	1.7
137.96922	0.7
139.03897	2.2
145.04871	1.0
146.08464	0.7
147.04430	1.9
153.01848	2.7
163.03912	3.0
163.80524	0.7
165.01836	1.9
167.03458	0.8
168.08168	1.0
170.08311	0.8
175.03862	1.3
177.01810	0.7
177.05548	1.0
179.03490	1.3
181.08865	0.8
182.09705	1.2
183.02937	0.8
183.09230	1.4
184.11195	1.5
184.80978	0.8
185.07141	0.8
191.03406	2.0
194.09698	2.2
195.02824	1.0
195.09158	1.4
196.09937	8.7
197.10692	2.8
201.05533	0.8
203.03404	1.2
203.47032	0.7
206.08398	22.1
209.07063	2.3
209.10759	1.6
210.11517	1.9
211.08760	1.5
211.12312	11.4
211.56793	0.7
212.09361	0.7
213.10147	1.5
215.03447	0.8
217.04753	0.8
219.02885	3.0
220.09944	5.3
221.00873	0.7
221.10765	9.4
223.02338	1.0
223.08725	6.0
224.09454	8.3
225.10237	0.8
226.11017	0.8
227.08112	4.4
229.04961	4.5
231.02858	1.0
233.04398	0.8
234.99022	0.9
237.10226	3.8
238.11032	8.2
239.08069	2.5
239.11797	24.3
241.09697	2.8
252.08850	1.8
254.10504	2.2
257.04468	6.3
257.12888	2.5
259.02377	1.8
259.06012	1.1
267.11292	59.5
271.06024	2.8
271.10770	0.9
272.06790	1.5
272.11563	5.2
277.03372	2.7
279.04898	1.5
285.03912	2.5
285.12347	63.3
286.12723	0.9
287.14111	0.8
297.05942	1.2
303.01382	6.4
303.04971	53.8
303.13385	100.0
304.05206	1.3
304.13708	1.6
418.21832	0.8
465.19318	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23572	0.1
55.01862	0.2
65.03932	0.3
67.01886	0.2
68.99787	1.1
69.03432	0.4
69.73652	0.1
69.81670	0.6
73.47386	0.1
81.03413	0.5
85.02920	0.3
93.03400	0.5
95.04973	0.4
97.02876	0.3
98.24583	0.1
109.02876	0.6
111.00824	1.4
121.02882	1.3
123.04465	0.7
127.03909	0.4
133.02864	0.1
135.04382	0.3
137.02361	4.1
137.03416	0.3
138.13492	0.1
145.06473	0.3
147.04347	0.2
149.02313	0.4
153.01840	5.4
155.04933	0.4
159.04462	0.2
161.06003	0.5
163.03943	0.9
165.01851	3.0
166.02568	0.4
173.06050	0.7
177.05420	0.2
179.03442	0.3
183.02902	1.0
183.04445	0.4
187.03935	0.6
190.64558	0.2
191.03419	0.3
195.02917	0.5
201.05473	2.5
201.07193	0.2
202.05849	0.2
205.04968	0.2
207.02884	0.2
213.05502	0.3
215.03433	0.2
219.02914	0.4
219.06505	0.5
228.04202	0.3
229.04980	6.5
230.05336	0.2
232.03828	0.1
239.03264	0.2
243.02904	0.2
247.06085	1.0
257.04474	4.1
259.06094	0.1
259.24860	0.1
274.04803	1.0
275.05524	0.3
285.03964	1.7
286.04587	0.2
301.07074	0.2
303.05008	100.0
304.05383	1.8
315.04901	0.2
465.10370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	Quercetin 3'-glucoside
Peak:m/z	Relative Intensity
51.02386	0.8
53.03934	0.9
55.01871	1.7
56.46961	0.7
56.62577	0.8
57.02912	0.7
67.05476	0.8
68.99789	3.6
69.03420	2.3
71.06297	1.3
81.03408	1.9
85.02901	5.0
88.31656	0.8
95.04977	1.8
97.02890	1.2
101.02374	0.8
105.03385	2.3
107.04958	2.0
109.02898	2.5
111.00803	2.9
111.65531	0.8
115.05490	0.9
119.05009	1.0
121.02868	2.9
123.04435	64.0
124.05230	1.4
127.03929	12.2
131.04884	1.0
135.04434	8.1
137.02353	4.1
137.05974	2.0
139.03914	6.6
141.06732	0.8
147.04457	5.0
149.02396	1.9
149.06020	1.6
150.03191	1.0
151.03899	1.6
153.01854	5.5
154.02425	0.9
155.04939	1.2
163.03906	12.3
165.01878	3.9
166.79427	0.9
167.03499	1.1
169.06572	1.0
173.06053	1.9
175.03966	1.6
177.01840	4.6
177.05522	1.6
179.03415	7.2
187.03899	1.3
189.05504	1.1
191.03407	5.4
193.05038	1.3
195.02928	2.9
197.06018	1.2
201.05476	2.9
203.03433	4.3
205.01379	2.4
205.04990	1.9
207.02968	1.4
213.05589	1.1
215.03419	1.7
216.14308	0.8
217.04810	1.3
219.02919	11.0
221.04440	2.4
223.02383	7.3
229.01302	1.3
229.04974	8.3
231.02866	2.5
233.04428	2.9
239.11772	1.2
245.04623	1.0
253.05003	1.0
255.06538	1.7
257.00787	1.8
257.04449	10.1
259.02448	2.3
259.06104	1.6
261.04034	2.4
267.11319	2.5
271.06027	35.0
272.06799	12.9
273.07623	1.6
275.01953	1.9
275.05350	1.1
277.03290	4.2
279.05023	11.0
285.00562	1.7
285.03937	3.3
285.12296	2.7
289.06976	1.8
295.04608	1.7
297.06030	4.4
303.01398	15.9
303.04935	100.0
303.13403	3.0
307.04449	1.4
311.05405	1.5
319.04385	3.0
325.05579	7.8
337.05786	1.5
411.06995	1.6
429.08151	2.5
447.09137	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.74847	0.4
52.73155	0.4
64.35431	0.4
66.93682	0.4
68.99789	0.6
69.35308	3.6
71.01332	0.5
71.77789	0.4
73.02924	21.1
81.03425	0.6
85.02914	4.0
87.04475	1.2
88.80781	0.4
97.02907	0.4
98.21525	0.5
99.04465	0.6
109.02939	0.5
110.56425	0.4
110.57172	0.4
111.00829	1.0
117.05492	0.6
121.02861	1.2
127.03886	0.4
137.02382	3.5
145.04944	0.6
152.33330	0.4
153.01859	4.0
163.03891	0.9
165.01837	1.4
170.69817	0.4
201.05502	1.8
229.05011	4.5
247.06111	0.7
257.04370	2.5
274.04776	0.6
279.66501	0.5
285.03873	1.3
303.05014	100.0
304.05270	1.5
305.07578	0.4
315.04947	1.5
373.02203	0.5
377.36514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.02055	0.2
52.92656	0.1
54.80066	0.1
65.03950	0.2
68.99760	0.8
69.03433	0.3
70.54802	0.3
70.55163	0.3
73.53168	0.2
81.03399	0.3
85.02908	0.3
85.37800	0.2
91.05492	0.2
93.03403	0.4
95.04983	0.2
97.02879	0.2
109.02887	0.5
109.35963	0.2
111.00829	1.1
117.52017	0.2
121.02882	1.4
122.30276	0.1
123.04433	0.2
127.03936	0.4
131.05080	0.2
135.04434	0.2
137.01396	0.2
137.02356	3.9
137.03392	0.2
149.02351	0.7
149.03531	0.1
153.01836	5.6
155.04933	0.3
161.05998	0.4
163.03952	0.9
165.01846	2.4
166.02618	0.5
173.06012	0.7
175.77612	0.1
176.04623	0.2
177.05540	0.2
183.02904	0.8
183.04411	0.3
187.03955	0.4
191.03543	0.3
191.06975	0.2
195.02866	0.3
201.05498	2.1
205.04915	0.3
207.02913	0.2
213.05486	0.2
215.03421	0.2
219.02927	0.5
219.06570	0.3
229.04980	5.6
233.04329	0.2
239.03455	0.2
247.02278	0.2
247.05946	0.8
257.04440	3.5
259.02347	0.2
274.04688	1.0
275.05511	0.2
277.03433	0.5
285.03955	1.7
302.07324	0.3
303.04993	100.0
304.05344	1.2
315.04987	0.2
369.06128	0.2
440.12610	0.2
465.10141	0.5
465.19189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20166	0.3
53.03942	0.6
55.01871	1.0
57.03439	1.7
59.26927	0.3
61.02935	1.9
65.31599	0.3
68.99792	0.9
69.03442	5.1
71.04983	0.8
71.23535	0.7
73.02927	4.1
77.09309	0.3
81.03424	1.4
81.49444	0.3
85.02914	14.2
87.04469	1.4
91.03957	1.0
95.04955	0.5
95.57404	0.3
97.02898	3.4
99.04487	0.9
103.03944	0.5
109.02891	2.0
111.00780	1.0
121.02882	1.5
127.03923	4.1
127.46011	0.4
137.02373	3.8
137.06056	0.5
145.02852	0.5
145.04956	1.9
149.02380	0.6
153.01831	4.9
163.03937	0.8
165.01840	2.3
166.02722	0.3
167.28589	0.3
172.75476	0.3
173.06079	0.6
183.02873	1.0
183.04358	0.4
187.03854	0.5
201.05537	1.9
210.31274	0.3
228.04115	0.5
229.04973	4.9
247.06078	0.5
257.04477	2.9
274.04770	1.0
285.03897	1.8
287.05759	0.8
302.04263	1.7
303.05017	100.0
304.05435	1.4
345.06152	1.4
359.97287	0.4
465.10513	1.6
465.16495	0.4
465.29449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
54.69733	0.5
55.17825	0.5
55.32764	0.5
61.02932	3.4
62.90168	0.5
68.53539	0.5
69.03419	1.9
69.96182	2.9
69.96510	0.6
73.02878	0.8
81.03410	1.2
85.02923	7.7
91.03946	1.9
96.57956	0.6
97.02890	3.2
98.21457	0.6
111.00835	0.6
121.02906	0.8
127.03931	1.7
137.02368	2.9
145.04950	1.6
153.01811	4.7
163.64084	0.6
165.01810	2.3
183.02933	0.6
190.67416	0.6
192.77835	0.6
201.05505	1.7
229.04994	3.9
257.04355	2.8
274.04730	0.7
285.03931	1.2
288.73999	0.6
291.85706	0.6
303.05002	100.0
304.05267	1.4
310.32220	0.5
377.84329	0.6
443.54443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71711	0.6
61.02911	2.2
68.99809	1.0
69.03407	2.6
73.00948	0.7
81.03420	1.3
85.02914	8.9
87.04483	0.7
94.07056	0.7
97.02882	3.3
98.20740	1.6
109.02909	1.0
111.00806	0.9
127.03925	1.3
137.02339	3.2
145.05019	1.4
147.48465	0.7
153.01845	4.2
165.01860	2.0
183.02948	0.7
201.05467	1.7
203.68295	0.7
229.05025	4.1
233.60143	0.7
237.87888	0.7
248.96396	0.7
257.04517	2.3
274.04822	1.0
275.05637	0.7
285.03952	0.8
303.05011	100.0
304.05215	0.9
447.42261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.3
60.25771	1.8
69.03432	4.2
71.08640	27.3
71.81113	1.7
81.03423	2.8
84.04497	1.4
85.02906	5.5
86.09723	2.0
88.11277	100.0
89.11612	1.3
97.02910	4.0
98.14785	1.7
98.97575	7.2
109.02903	2.4
116.15257	1.5
119.04960	1.5
120.08164	2.2
123.04467	3.6
127.03957	3.1
127.96289	1.4
128.76649	1.7
134.99652	1.5
135.80165	1.4
137.06033	2.1
145.04958	1.9
147.04454	4.7
153.01855	6.3
163.03891	9.1
172.02895	1.6
215.37456	1.5
219.01758	2.1
229.16029	1.4
237.02945	3.3
239.86067	1.7
257.04453	4.1
270.97949	1.4
277.03500	5.7
287.85327	1.8
303.01431	7.3
303.05048	28.5
349.24582	1.5
353.67050	1.8
399.00107	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01873	3.5
55.05513	13.3
56.80500	2.6
57.03425	12.5
67.05510	30.1
68.05840	4.1
69.03439	20.3
69.07079	16.3
70.88070	3.6
70.88404	6.7
71.05002	7.6
74.19751	2.6
77.51858	3.3
79.05493	19.8
81.03426	34.3
81.06593	5.0
81.07066	80.4
83.04979	7.3
83.08610	6.5
85.02911	15.5
85.06548	7.0
91.05496	35.1
93.07048	19.7
95.04961	3.1
95.08611	26.8
97.02890	10.0
97.06540	6.4
97.10162	6.9
99.04460	5.7
99.08095	7.2
103.03947	3.8
105.07050	44.3
107.04939	4.3
107.08604	22.0
107.25120	2.9
108.08910	4.7
109.02870	25.6
109.06522	9.3
109.10172	8.5
111.04552	3.2
119.08607	28.0
120.00633	2.8
120.08863	3.1
121.10168	22.6
122.10476	3.9
123.08064	8.9
123.11735	26.2
127.03928	27.8
129.07014	4.8
131.08575	7.1
133.10156	14.0
135.08038	3.8
135.11655	5.0
137.05962	4.8
139.11208	4.0
143.08530	3.8
145.10101	6.6
147.11708	75.1
149.09566	5.1
157.10126	6.5
159.11708	5.2
161.13239	4.6
165.12749	34.1
167.47534	3.6
173.13237	4.3
175.11203	9.3
187.14804	3.5
193.12251	11.3
229.14388	17.1
267.15909	51.9
285.16943	27.1
287.05505	3.5
295.02774	3.2
303.05005	26.8
337.16287	14.3
355.17398	16.3
393.19016	9.1
411.20120	18.7
429.21228	100.0
430.21835	4.3
446.33926	3.5
447.22028	4.4
447.27521	4.3
464.26956	3.6
465.29282	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	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64730	5.3
57.03426	21.6
57.03689	6.3
57.33910	5.1
61.02926	15.3
69.03429	33.8
70.06609	6.6
70.64816	16.4
71.01357	8.5
72.83428	5.1
73.02927	70.2
85.02913	100.0
85.55484	6.5
89.96282	4.9
91.28479	5.3
97.02901	59.3
103.05474	11.5
105.07031	8.3
109.02870	17.3
115.03944	34.3
121.02860	43.1
127.03935	31.6
128.76730	5.5
131.04936	15.9
133.04994	37.4
137.05971	8.6
140.03458	7.3
142.93082	5.9
145.04970	40.0
147.04437	6.7
153.01846	6.9
153.05472	79.7
163.06070	6.8
163.07570	12.4
174.30251	5.5
211.02615	5.5
241.07178	7.4
302.07397	8.1
303.01675	13.0
303.04984	89.1
304.70657	6.6
464.15454	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	464.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
57.53082	0.7
65.03951	1.4
65.12514	0.7
67.05486	0.8
69.03423	2.1
71.49857	0.7
79.05500	1.5
80.01235	0.6
81.03403	1.7
81.07059	2.0
83.04980	0.7
83.23457	0.7
85.02909	2.0
86.09724	1.2
91.05486	11.6
93.07043	2.2
95.08630	1.0
97.02892	1.8
99.04364	0.8
105.07035	1.2
107.08624	3.8
109.02895	0.8
109.10155	0.9
114.16749	0.9
119.04955	24.2
119.08574	1.0
121.10110	1.1
127.04005	0.7
131.04970	0.8
133.40015	0.7
135.11613	1.5
137.05989	0.9
147.04425	100.0
149.09674	0.9
165.05618	0.8
173.13367	0.9
184.07358	2.6
229.05107	0.7
257.04459	1.5
291.08658	1.3
303.05222	3.4
316.93564	0.8
329.79901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	53.8
57.07074	83.7
58.52606	5.8
67.05489	25.7
67.90589	5.6
69.07075	100.0
71.08624	38.8
71.50829	6.9
79.05484	22.9
79.81976	6.7
81.07061	55.8
83.08626	54.3
85.10182	28.9
87.60782	5.6
91.05475	21.8
93.07030	39.4
95.04988	6.8
95.08611	70.3
97.10168	41.6
105.07033	37.6
107.08588	63.6
109.06493	28.5
109.10178	39.9
111.08067	17.5
111.11749	33.1
111.12449	5.5
114.33411	5.7
117.07040	7.5
119.08610	35.5
121.06536	7.0
121.10149	24.4
123.08067	21.9
123.11682	20.5
125.09624	7.4
125.13245	14.0
129.07097	6.8
131.08585	9.6
133.10100	31.8
135.04517	6.4
135.08034	29.0
135.11696	13.7
137.09570	6.9
137.13278	6.7
139.07513	6.4
145.10156	10.9
147.08066	20.8
147.11699	23.2
149.09612	13.5
149.13223	15.3
151.07466	9.1
157.10129	10.8
159.11646	6.1
161.09628	6.7
161.13243	31.3
163.11223	9.1
167.07037	8.0
171.11690	9.3
173.13232	12.7
175.11113	9.3
175.14734	9.2
179.14380	6.6
181.08553	14.6
185.09726	7.8
189.12752	14.4
189.16208	5.9
193.08505	7.3
203.10667	10.1
203.14388	12.2
213.41776	6.2
221.11815	6.9
223.13248	10.3
225.72130	6.8
231.09703	5.6
237.14885	10.3
262.14471	5.6
279.82217	6.3
291.19492	8.3
315.45944	6.5
347.25916	10.7
357.35156	37.1
361.27441	11.0
375.29019	7.8
375.36429	9.5
385.34567	7.0
389.30359	8.6
399.36044	26.0
417.37170	16.4
427.35788	33.7
437.79214	7.0
445.36908	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	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
51.85979	1.0
53.03937	2.1
55.01856	1.6
55.05516	12.7
57.03425	2.4
57.07063	3.8
65.03915	1.4
65.76588	1.0
67.05507	17.6
69.03417	1.2
69.07072	14.7
71.08623	1.4
75.75571	1.0
79.05489	14.8
81.03411	1.3
81.06602	2.1
81.07058	32.1
83.04971	2.1
83.08624	12.4
85.06515	2.1
91.05481	12.6
93.06497	1.9
93.07047	23.8
94.07373	1.2
95.04935	2.2
95.08614	29.6
97.06519	2.3
97.10165	3.9
99.00797	1.8
99.08078	3.6
105.07037	21.9
107.08596	29.6
107.56031	1.0
109.06518	3.9
109.10155	20.8
111.08086	4.2
113.09595	1.3
117.07004	4.0
119.08589	29.7
121.10146	27.2
123.08044	3.1
123.11720	8.3
129.06996	1.3
131.08583	9.3
133.10135	25.6
135.08086	2.7
135.11694	18.7
137.09613	3.1
137.13266	2.1
139.11165	1.9
143.08531	1.8
145.10133	11.2
147.11679	15.2
149.06032	1.1
149.09616	2.3
149.13248	10.8
151.11176	2.7
157.10124	5.0
159.11713	9.1
161.13269	9.8
163.11198	2.4
163.14848	7.8
167.08472	1.1
169.10147	2.1
171.11655	3.4
173.13310	6.5
175.11124	1.5
175.14827	9.1
177.12741	2.2
177.16409	5.7
181.04977	3.3
183.11864	1.0
185.13290	2.1
187.14867	7.8
189.16426	12.5
191.17958	3.2
195.06491	4.2
195.13831	2.1
199.14771	2.8
201.16385	6.1
203.14374	2.4
203.17972	15.2
205.15907	8.9
207.17461	3.4
209.08052	1.9
213.16302	3.2
215.17975	2.4
217.19516	1.6
219.17484	2.4
221.18904	1.6
223.09587	2.9
223.14877	1.1
223.17004	3.4
224.17308	1.4
227.17877	2.3
231.17451	1.9
231.20976	1.6
237.11203	3.0
243.21127	1.6
245.18864	1.7
249.11345	1.8
251.12605	1.2
257.22540	1.1
263.12576	1.1
297.09155	1.1
321.25726	1.2
339.26657	2.5
371.25705	1.7
391.33749	2.4
409.34659	7.7
417.28244	1.3
427.35834	10.2
445.37177	100.0
446.37177	1.9
463.30637	8.2
463.37680	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	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03951	3.3
55.01854	3.1
55.05512	16.0
57.03403	2.1
57.07079	42.3
59.86559	2.2
67.05522	11.8
69.07071	34.0
71.08635	30.7
71.50810	3.2
79.05498	8.6
80.00298	2.1
81.07063	28.0
83.08624	20.4
85.02929	2.5
85.10184	15.1
91.05485	6.2
93.07057	7.5
95.08614	24.1
97.02928	2.7
97.06561	3.5
97.10180	12.9
98.21526	2.2
99.04446	5.1
105.07029	9.7
107.08635	5.6
108.44083	2.3
109.06515	20.0
109.10184	11.1
111.08091	2.9
111.11713	4.0
119.08572	6.2
121.06498	2.5
121.10155	8.2
123.08102	14.4
123.11729	4.7
125.06005	21.0
127.07557	45.6
131.08583	2.4
131.10425	2.3
133.10141	6.1
135.08052	3.4
135.11693	2.9
137.05989	6.6
137.09647	6.5
139.07542	100.0
140.74080	2.4
147.11740	5.1
149.06032	3.9
149.09615	3.8
151.07536	9.9
161.13298	4.2
163.07623	4.2
165.09085	3.5
167.07097	6.3
175.11182	3.5
177.09100	13.8
179.10683	2.7
185.13275	2.1
207.13962	3.4
249.15024	3.0
275.19754	3.0
301.28967	8.4
313.14624	2.5
319.26709	2.3
319.29907	14.6
347.33008	14.8
373.30966	5.6
385.34561	3.7
399.36124	3.5
403.35443	3.6
417.37399	21.3
445.36740	70.6
463.31876	4.1
463.37939	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3422
Annotation	Polyporusterone F
Peak:m/z	Relative Intensity
55.01873	11.4
55.05512	15.0
57.07068	5.7
58.50393	2.4
63.94386	2.3
67.05511	31.3
69.03442	5.7
69.07069	11.2
69.34633	2.2
69.85015	6.5
69.85431	6.7
71.04968	3.3
79.05505	22.0
81.03462	3.3
81.07063	37.5
83.04997	14.6
83.08607	7.9
85.06550	11.2
91.05489	21.4
93.07052	27.6
95.04974	6.3
95.08615	29.6
97.06551	7.1
99.08097	13.1
105.07040	22.0
107.04969	3.2
107.08616	31.5
109.06530	8.9
109.10163	32.2
110.10487	3.4
111.08076	20.1
113.06026	5.2
117.07043	6.6
119.08598	62.1
121.06496	4.4
121.10155	22.4
123.08086	6.8
123.11697	6.6
125.09647	8.1
127.07568	6.2
131.08592	13.2
133.10152	33.3
135.08092	16.4
135.11697	11.2
137.09641	100.0
139.25981	2.3
143.08598	7.7
145.10124	25.7
147.11702	11.3
149.09648	16.2
149.13232	12.8
151.11159	6.2
155.10657	10.6
157.10168	9.8
159.11725	32.5
161.09708	3.8
161.13303	6.8
163.11238	4.9
165.12770	8.3
169.10120	5.2
171.11693	11.4
173.13306	7.0
175.11217	4.0
175.14787	4.1
177.12729	4.7
177.16380	3.1
183.11690	5.4
185.13298	11.2
187.14832	11.4
189.16360	3.6
191.14401	5.4
193.12297	4.2
195.13748	4.7
197.13292	5.4
199.14804	9.4
201.12636	3.4
201.16405	24.4
203.14352	8.8
205.15871	9.7
209.13406	3.1
211.14857	6.9
213.16394	10.6
217.15660	2.6
221.13521	3.7
221.15306	17.2
223.14819	3.3
227.17926	2.4
237.16364	2.6
255.21162	3.1
267.21109	9.1
283.20526	3.7
283.23941	3.3
285.22156	8.5
303.23346	3.2
311.88257	2.9
355.26154	3.9
391.30005	16.6
409.31024	39.5
427.32129	43.3
445.32944	11.5
463.30469	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	463.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	2.1
53.03946	4.7
55.01870	6.2
55.05518	21.0
56.96571	20.5
57.03435	8.5
57.07064	2.7
61.02933	20.0
67.05511	36.0
69.03432	13.6
69.06799	2.5
69.07079	27.1
71.04990	3.5
71.50179	2.1
73.02911	7.2
79.05496	31.0
81.03412	10.3
81.07064	49.2
83.04976	19.1
83.08641	17.2
85.02893	18.5
85.06541	3.0
87.24050	2.3
91.03961	9.5
91.05486	21.0
93.07053	44.1
95.04972	7.2
95.08617	35.2
97.02898	16.3
97.06567	11.7
97.10144	4.0
98.97573	4.9
99.04457	2.5
99.08103	3.9
105.07045	29.2
107.08600	40.7
109.06519	9.5
109.09473	3.8
109.10169	38.8
110.97593	3.2
111.04504	2.6
111.08073	10.6
117.07040	5.6
119.08596	32.7
121.06492	6.7
121.09328	4.5
121.10153	54.1
123.04382	2.9
123.08070	10.3
123.11710	7.7
125.09635	3.5
127.03942	5.9
127.07554	2.9
127.11180	7.7
129.06950	2.5
129.09116	2.7
131.00262	3.2
131.08603	11.6
132.08946	2.6
133.06454	3.3
133.10149	35.3
135.08051	11.0
135.11693	14.7
137.09633	4.0
139.00679	4.5
139.11198	68.4
143.08556	3.9
145.04997	3.6
145.10129	27.6
147.08012	5.0
147.11671	17.4
149.09636	6.5
149.13235	15.0
151.07565	3.8
151.11179	5.2
157.10158	8.7
158.99675	2.6
159.11710	20.7
161.13258	14.0
163.11172	5.4
163.14790	13.6
165.12767	3.2
169.10130	6.0
170.10887	2.8
171.06667	2.9
171.11713	7.5
173.13271	4.6
175.11238	4.3
175.14821	8.6
177.12746	8.8
177.16379	7.5
179.14322	7.4
181.11961	2.6
183.11615	5.5
185.04852	6.4
185.13258	9.0
187.14851	36.3
189.12723	4.6
191.14345	3.0
193.15883	3.9
195.13878	4.9
197.13283	5.5
199.14836	5.0
201.07594	2.6
201.12732	4.4
201.16393	6.2
203.14333	6.4
205.15907	32.6
207.13785	6.0
209.13426	2.8
213.16504	4.7
215.14397	3.0
219.13785	2.9
219.17459	3.2
221.15364	5.2
223.14877	3.1
223.16936	37.5
225.14778	12.5
229.15981	3.1
231.17403	2.9
243.08842	9.1
243.17500	2.8
249.07919	6.7
261.22266	4.5
267.09061	77.7
268.09448	4.8
271.20868	2.5
275.02017	2.6
279.06766	2.9
283.20618	6.9
285.10114	100.0
286.10355	10.3
290.10754	4.3
299.02429	2.5
301.21701	8.9
308.11676	10.3
317.17957	3.0
319.22705	13.2
324.11533	36.4
324.61533	5.3
335.25900	13.5
382.97449	2.6
389.26974	7.3
391.29718	6.4
409.31006	14.9
427.31934	18.4
445.33191	38.9
463.17612	3.1
463.34753	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3421
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
50.45194	0.3
55.01883	0.5
55.05271	0.7
55.05516	8.5
56.56098	0.4
57.03426	0.7
57.07075	1.9
67.01845	0.5
67.05508	3.3
69.03442	0.7
69.07073	12.5
69.56740	1.6
69.57169	1.0
71.05002	0.5
71.08637	0.6
79.05495	3.0
81.07061	5.0
81.51144	0.4
83.01372	0.7
83.04967	1.5
83.08612	4.2
91.05490	3.1
93.07050	3.9
95.01350	1.5
95.04977	0.9
95.08611	2.8
97.06548	0.7
97.10168	2.0
98.20766	0.6
99.00819	9.8
99.04465	2.0
105.07038	2.7
107.04937	0.4
107.08624	3.5
109.02916	0.9
109.06520	0.7
109.10143	2.5
111.04427	0.5
111.08111	0.4
113.02370	2.4
113.06032	0.4
117.01877	0.7
117.07037	1.2
119.08573	2.1
121.06501	0.6
121.10143	2.4
123.04446	0.7
123.08060	0.9
124.36287	0.4
125.06007	1.1
127.11172	0.5
129.06953	0.5
131.08582	1.5
133.10135	2.1
135.04416	0.8
135.08070	1.4
135.11684	0.6
137.06003	1.2
137.09624	0.4
138.06720	0.5
139.07599	0.6
139.11180	2.4
145.10152	1.8
147.11655	0.5
149.05998	1.5
149.09641	0.7
149.13261	0.8
151.07576	0.9
151.11168	0.4
153.05476	3.4
157.10181	0.8
159.11708	1.4
161.13298	0.6
162.88521	0.4
163.07571	2.6
163.11195	0.9
163.14847	0.5
173.09763	0.4
173.13345	0.5
175.07610	0.8
177.05534	0.7
177.09120	1.5
181.04961	12.9
183.06522	1.8
187.14824	1.4
189.09163	1.1
189.12823	0.4
191.07043	2.4
191.10765	1.0
191.14381	0.4
195.06541	28.4
197.13341	0.4
201.16438	0.4
202.79041	0.5
203.10594	0.5
205.08633	1.4
205.15936	1.6
207.06554	0.7
209.08099	16.7
223.09665	16.6
223.16965	0.9
224.10017	0.4
235.09637	0.9
237.08807	0.6
237.11217	12.4
249.11244	1.2
251.12793	8.8
263.12759	0.9
265.14401	4.4
277.14539	0.5
279.16025	1.5
291.15921	0.8
293.17523	1.6
307.19012	2.2
319.19141	0.8
321.20700	0.9
322.53882	0.4
334.32440	0.4
335.22473	0.7
363.25095	0.4
371.25861	0.8
375.24860	0.4
377.26849	0.4
389.27048	1.1
427.32428	0.6
445.33231	11.2
446.33762	0.7
463.34247	100.0
464.34592	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.01851	3.8
55.05517	21.0
57.03431	6.6
57.07067	4.1
65.03923	4.0
67.05508	82.0
69.03429	2.4
69.07071	29.4
69.97579	1.2
70.04028	1.1
70.42350	2.1
71.04981	5.4
75.98689	1.2
77.03909	1.8
78.97486	1.3
79.05499	58.0
80.94080	1.2
81.03432	2.6
81.07062	100.0
81.87981	1.3
83.04968	9.5
83.08160	1.6
83.08620	18.3
84.14960	1.3
85.06548	5.0
88.85361	1.3
91.05486	33.4
93.07050	76.4
95.04977	7.9
95.08614	29.3
97.06529	13.7
97.10168	1.9
99.04420	1.4
99.08073	5.0
105.04487	2.7
105.07044	12.6
107.08598	44.1
109.06539	3.4
109.10191	7.4
111.08085	9.4
113.09635	1.8
115.05426	1.5
117.07027	10.4
119.08591	9.1
121.06539	1.9
121.10151	24.5
121.80027	1.4
123.08043	1.9
123.11723	3.8
131.08583	11.8
133.10127	12.9
135.08035	4.5
135.11694	11.3
139.11137	3.1
143.08513	1.6
145.10144	2.5
147.11707	1.9
149.13274	53.0
157.10146	2.5
158.03813	1.3
158.95403	1.4
159.11708	21.2
167.14346	1.6
177.12804	10.9
195.13826	15.9
213.14838	3.1
279.37177	1.4
287.05569	1.8
339.71695	1.3
353.24765	1.6
445.28842	1.7
463.30542	56.7
464.30881	1.5
480.44791	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
55.01857	4.0
55.05272	1.5
55.05514	20.7
57.03448	6.2
57.07065	4.1
63.69389	1.0
65.03938	3.4
65.27813	1.1
67.05508	76.1
69.07071	25.0
71.04988	4.4
73.02901	1.6
79.05500	56.6
81.03428	5.3
81.07060	100.0
83.04988	9.0
83.08620	19.0
85.06531	4.6
91.04908	1.9
91.05487	36.1
93.07051	74.4
94.07339	1.1
95.04980	7.7
95.08614	28.8
97.06531	14.2
97.10187	1.9
98.20776	3.3
99.08109	5.1
105.04523	2.2
105.07042	17.7
107.08600	40.9
109.06520	4.7
109.10153	8.6
111.08090	8.7
113.09647	1.5
117.07005	14.0
119.08588	10.3
121.06528	2.8
121.10153	26.2
121.15620	1.1
123.08080	2.6
123.11707	4.5
125.09653	2.2
127.07594	1.5
127.10304	1.1
129.06937	1.3
131.08572	16.5
133.06509	1.6
133.10133	17.6
135.08063	4.0
135.11714	12.9
139.07579	1.3
139.11172	4.5
143.08569	2.4
145.10120	4.6
147.11662	5.3
149.09608	1.5
149.13268	44.7
151.11165	3.3
157.10156	2.5
159.11700	17.9
167.14322	2.0
169.12265	1.3
171.11714	2.2
173.13312	1.7
177.12753	11.1
185.13188	1.4
187.14848	2.1
189.16394	2.0
195.13806	22.5
201.16380	1.5
205.15875	2.4
213.14771	2.6
223.16977	1.5
233.15500	1.3
251.16324	1.7
294.93515	1.5
300.09882	1.3
353.24625	3.2
371.25684	2.0
389.27118	1.5
445.28781	2.4
445.37433	5.6
463.30508	63.8
464.30966	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03948	6.3
55.01872	3.1
55.05515	16.4
57.03443	7.3
57.07066	3.8
65.03933	3.7
67.05507	78.4
69.07071	27.8
69.31451	10.4
71.01352	2.0
71.05005	7.0
71.95014	1.2
79.05495	51.0
81.03401	3.3
81.07059	100.0
83.04987	9.6
83.08621	20.1
85.06536	5.4
91.04914	1.8
91.05479	28.1
93.07045	75.3
95.04964	8.3
95.08618	27.4
97.06527	13.5
97.10181	2.8
99.08102	4.6
105.04499	2.7
105.07044	10.9
107.07880	2.7
107.08597	42.9
109.06524	4.4
109.10172	6.5
111.08091	11.3
113.09608	1.8
117.07031	11.2
119.08553	6.3
121.06499	2.1
121.10149	26.0
123.08102	1.3
123.11700	2.6
131.08572	12.8
133.10129	11.3
135.08058	3.9
135.11690	12.8
139.11159	4.4
141.51871	1.5
144.13902	1.2
145.10068	2.1
147.11708	3.6
149.13268	49.4
151.11147	2.7
153.09091	1.5
157.10167	3.1
159.11700	21.6
161.13301	1.8
167.14270	2.5
177.12773	11.0
187.14815	2.2
195.13824	18.8
213.14896	4.1
445.33313	3.6
463.30557	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.7
53.03949	8.5
55.01864	3.9
55.05513	27.5
57.03436	8.3
57.07063	2.8
65.03926	3.2
67.05508	82.8
69.03423	1.7
69.07072	31.2
69.16487	3.1
69.16884	14.0
71.04965	6.2
73.02892	2.0
79.05498	63.1
81.03393	5.5
81.07060	100.0
82.07368	1.7
83.04984	7.7
83.08630	19.9
85.02928	2.7
85.06506	5.3
91.05485	57.1
92.05789	1.8
93.07048	76.3
94.07339	1.3
95.04971	10.3
95.08611	35.7
97.06544	12.7
97.10146	3.6
98.21519	3.3
99.08059	4.8
104.72652	1.4
105.07037	40.9
107.04922	4.1
107.08594	45.6
108.84949	1.3
109.06517	7.2
109.10155	12.4
111.08096	7.9
115.05425	1.8
117.07031	23.4
119.07845	1.7
119.08584	24.5
119.23969	1.4
121.06448	6.0
121.09372	2.0
121.10155	28.4
123.08016	4.8
123.11651	4.6
125.09613	2.7
128.06201	2.8
129.07028	9.1
131.07640	1.9
131.08572	33.1
133.06451	1.7
133.09293	1.8
133.10136	23.1
135.08025	4.5
135.11725	11.9
137.09619	2.0
139.11151	2.0
141.06978	2.3
142.07765	1.9
143.08594	8.8
145.10112	14.7
147.08015	3.6
147.11710	8.3
149.09564	4.5
149.13281	32.6
151.11107	2.7
155.08498	5.6
157.10155	7.7
159.11703	20.5
161.13188	2.8
163.14809	2.8
167.08524	1.4
169.10098	5.8
171.11659	5.5
173.09576	2.2
173.13187	5.1
175.14722	1.7
177.12828	6.3
181.04924	1.6
181.10112	3.1
183.11644	4.7
185.13213	2.7
187.11105	1.7
187.14751	4.3
189.16434	1.7
195.06474	3.2
195.11903	2.0
195.13774	14.8
197.13165	4.0
199.14799	3.3
205.15735	2.3
209.08047	2.5
209.13264	3.0
211.14734	3.2
213.12802	2.0
213.14668	1.5
223.09579	3.0
223.14815	2.0
225.16423	1.5
233.15302	2.7
235.16924	1.7
237.11153	2.9
243.27759	1.3
247.16946	2.8
251.12671	1.9
251.16078	1.4
259.16864	2.0
325.25140	1.9
335.23483	4.7
343.26151	5.9
353.24713	12.8
371.25848	20.0
389.26846	19.1
409.31058	1.4
445.28595	21.9
463.17035	2.2
463.30182	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	463.3056
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03952	6.3
55.01876	3.3
55.05513	19.5
57.03441	7.3
57.07081	3.4
65.03931	3.3
67.05508	82.3
68.79476	0.6
69.03438	0.7
69.06691	1.5
69.07070	31.4
71.01351	0.9
71.05000	6.3
71.08630	0.7
77.03946	1.1
79.05496	56.4
81.03443	3.2
81.07059	100.0
82.07399	1.1
82.64020	0.6
83.04990	9.3
83.08622	16.9
85.06551	6.1
91.05487	28.5
93.07047	77.1
95.04977	7.3
95.08610	29.1
97.06533	14.4
97.10175	2.4
98.20676	1.3
99.08102	5.5
105.04523	2.3
105.07030	12.0
107.05003	0.9
107.08598	42.1
109.06540	3.8
109.10165	5.7
111.08092	10.5
111.11712	0.8
112.99997	0.8
113.06002	0.7
113.09693	1.8
115.46654	0.8
117.07022	11.0
119.06059	1.0
119.08588	4.4
121.06515	2.4
121.10148	21.9
123.08091	1.3
123.11720	1.9
125.09630	1.7
129.07002	1.2
131.08572	12.6
133.10141	10.2
135.08058	3.5
135.11690	13.2
137.13239	1.0
139.11208	2.6
143.08585	0.8
144.09325	0.7
145.10141	1.7
147.11668	2.7
149.09663	2.0
149.13264	50.6
151.11182	1.3
157.10103	1.6
159.11696	20.9
163.11209	1.4
167.14331	0.9
171.11739	0.9
173.13298	1.2
174.43828	0.6
177.12753	11.4
179.14099	0.7
181.12379	0.6
187.14857	1.1
195.13812	18.6
195.15515	1.2
205.15788	0.8
213.14882	2.4
219.13841	1.3
233.25790	0.7
251.16524	0.8
269.17502	1.0
445.33640	1.3
463.30524	66.1
464.30682	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0872
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
52.14301	0.3
55.01845	0.4
55.32746	0.2
57.03433	1.4
62.02965	0.2
65.03951	0.2
68.99799	0.7
69.03404	0.3
71.01366	1.3
71.23210	0.6
73.02916	2.6
75.04471	0.3
83.01343	0.4
84.62959	0.3
85.02908	8.5
95.01334	1.3
99.00822	0.7
101.02379	0.6
103.03941	0.7
105.03386	0.5
107.04961	0.5
111.00810	0.9
113.02373	4.0
121.02868	4.4
131.03415	1.5
133.02855	0.5
136.07591	0.6
137.02345	1.1
139.53621	0.2
141.01836	1.4
147.04445	0.7
150.09200	0.3
153.01834	4.4
157.06503	0.5
159.02934	1.8
164.07076	0.3
165.01831	1.9
183.02898	1.0
185.05940	0.6
189.05463	0.4
211.01384	0.3
213.05431	1.5
230.09837	0.3
231.06488	0.9
241.04951	0.7
258.05283	1.2
259.06085	0.5
265.20026	0.3
269.04462	0.3
287.05505	100.0
288.05807	2.5
301.15494	0.4
429.30972	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	463.1235
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
56.29431	0.3
59.90570	0.3
69.03398	0.4
69.61579	1.4
73.54588	0.3
81.07060	0.3
85.02911	0.3
105.03426	0.3
127.03938	0.4
131.00005	0.3
137.02383	0.3
137.06046	0.3
139.03896	0.3
147.04449	0.4
147.62834	0.3
151.03949	0.5
163.03947	0.4
165.05432	0.3
174.03136	0.6
191.21709	0.2
201.05457	2.6
202.06232	3.0
213.05511	1.2
229.04980	2.0
230.05774	3.0
241.05070	0.5
243.02794	0.3
257.04483	2.0
258.05252	9.2
268.03674	1.3
269.04358	0.3
273.01276	0.3
273.03964	1.0
283.08405	0.7
284.09045	0.4
285.03827	0.7
286.04739	23.2
287.05139	0.5
301.07077	100.0
302.07458	2.6
463.12140	1.3
463.18161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	4.1
53.31276	1.6
54.74903	1.6
55.01871	6.6
55.05515	16.4
55.13960	1.8
55.21572	1.6
56.96571	20.2
57.03440	11.1
57.03887	1.4
57.07070	3.0
61.02940	17.7
67.05511	35.1
69.03435	10.9
69.07069	23.9
71.04995	5.8
71.50830	2.3
73.02929	10.4
79.05500	23.1
81.03419	7.0
81.07067	43.9
83.04984	15.0
83.08623	13.9
85.02911	20.4
85.06538	3.1
91.03954	11.5
91.05485	19.7
93.07053	33.3
95.04972	7.4
95.08614	27.1
97.02892	13.2
97.06538	9.0
97.10197	5.4
98.97589	4.7
99.04452	3.0
99.08106	4.1
103.03905	2.3
105.07033	17.6
107.05000	4.3
107.08605	29.8
109.06544	4.2
109.10172	24.2
110.97588	2.8
111.04445	2.1
111.08094	6.8
117.07022	6.2
119.08586	22.8
121.06518	4.1
121.10155	35.9
123.08072	5.3
123.11734	5.2
125.09640	3.0
127.03931	7.3
127.11215	4.7
131.08592	11.1
133.10150	19.8
135.08064	7.0
135.11711	10.3
137.09676	3.0
139.07567	2.4
139.11195	43.5
143.08586	3.4
145.04967	3.0
145.10120	20.1
147.08057	3.9
147.11726	8.8
149.09628	5.5
149.13274	15.3
151.11217	4.6
157.10181	6.3
159.11679	16.2
161.13248	11.0
163.11174	5.2
163.14821	8.2
165.12767	3.0
167.03751	2.4
167.14267	1.9
170.99622	2.0
171.06775	2.2
171.11699	5.7
173.13280	6.3
175.14864	2.7
177.12762	6.0
177.16382	3.9
179.14272	3.6
183.06464	2.2
183.11839	2.2
185.04883	5.8
185.13293	6.2
187.14816	24.1
189.12740	3.5
189.16415	2.3
195.13792	3.7
197.13242	2.1
199.14833	4.2
201.16426	5.2
203.05974	6.3
203.14354	4.6
205.15891	21.9
206.07024	2.1
207.13841	3.5
211.06406	2.8
213.16481	2.2
219.05193	3.3
221.15428	4.0
223.06386	2.3
223.16916	21.9
225.14839	7.2
231.06938	2.1
237.08066	2.3
243.08908	9.2
249.08038	7.8
261.02765	2.5
261.22147	4.3
265.48911	1.7
267.09064	72.4
268.09430	4.3
271.20798	4.4
283.20636	4.8
285.10104	100.0
286.10455	6.4
290.10693	3.9
301.21548	4.3
308.11826	8.8
315.11197	2.2
317.17847	3.1
319.22723	7.0
324.11508	24.7
324.61786	4.3
335.25848	10.8
389.26987	3.5
409.31107	7.2
427.31949	13.3
445.33072	24.0
463.34219	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	463.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15308	0.8
62.23249	0.8
64.82364	1.0
71.49129	1.3
85.02905	1.2
97.02920	1.9
100.40497	0.9
101.00863	2.6
103.53259	0.9
113.00894	1.0
119.01925	1.6
120.95436	1.5
127.03914	1.0
131.01930	1.3
138.96428	1.7
143.01875	1.8
147.04359	1.1
155.01889	2.0
156.97487	8.7
157.03470	1.3
161.02940	2.0
167.01900	1.1
173.02969	2.7
174.98558	5.7
180.97475	17.4
185.02960	4.1
192.97472	1.5
194.99068	1.3
197.02962	1.0
198.98552	100.0
199.98624	2.0
203.04053	2.0
210.98521	3.7
212.99965	1.5
216.97517	1.3
216.99603	22.6
217.99718	1.0
222.98433	1.4
227.04021	1.3
228.99632	8.9
234.98547	3.7
240.99612	19.8
243.01175	0.8
245.05106	5.8
252.99631	1.8
259.00662	10.3
263.06256	1.3
275.06104	1.4
277.01758	1.7
282.02307	1.0
283.00586	10.6
301.01721	30.0
319.02695	5.1
384.85056	1.1
463.06830	5.3
463.12671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29148	4.5
69.03427	10.0
85.02901	10.3
89.06043	6.3
91.05467	9.8
95.04966	12.5
97.02924	5.9
98.20752	15.5
107.08584	7.0
109.06520	5.2
109.10140	5.8
111.04493	8.0
119.04934	11.2
119.08580	16.3
131.08521	7.8
133.53928	5.5
135.08076	17.8
139.03856	10.0
147.04424	90.5
159.11685	9.3
162.61160	5.6
163.03874	8.0
175.07552	10.6
203.10594	7.9
229.07813	5.4
229.12277	8.5
247.13341	32.4
258.05078	8.6
265.14368	100.0
282.12476	8.1
286.04660	21.1
301.03864	9.8
301.07028	65.6
433.76385	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	461.3637
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
53.03938	3.4
53.56329	1.5
55.01869	6.8
55.05515	20.4
56.05870	1.4
57.03433	4.8
57.07069	4.4
59.05012	2.4
65.03932	4.0
67.05508	30.0
68.05836	1.9
69.03428	5.4
69.06801	1.3
69.07076	16.0
71.04989	5.2
71.49790	1.7
79.05078	2.4
79.05496	29.6
80.05809	1.6
81.03421	13.1
81.07059	44.4
83.04993	8.9
83.08624	16.0
85.06519	4.8
91.05489	28.1
93.07049	41.5
95.04982	15.7
95.08614	38.2
97.06530	10.1
97.10162	6.4
97.47046	1.5
99.08088	8.3
105.06326	2.0
105.07034	40.4
107.04962	11.0
107.07880	2.9
107.08594	44.0
108.08961	1.9
109.06536	9.5
109.09337	1.8
109.10167	24.7
110.10530	1.5
111.08073	9.9
113.06013	1.8
115.05440	3.0
115.07594	1.5
117.07022	12.6
119.04880	2.2
119.08592	39.2
121.06497	10.2
121.10152	37.0
121.11029	1.9
123.08083	4.9
123.11700	8.4
125.09638	6.1
127.07600	1.8
129.06992	6.7
131.07632	1.7
131.08585	25.0
132.08904	1.5
133.06512	2.9
133.10135	32.9
134.06877	1.4
135.08063	15.4
135.11705	19.4
137.05933	2.0
137.09642	9.1
139.07578	1.6
139.11188	8.7
141.06952	2.7
142.07701	3.2
143.08575	10.9
145.06535	6.7
145.10136	28.4
147.04437	1.8
147.08043	6.6
147.11694	18.9
148.12012	2.2
149.09624	20.1
149.13277	12.4
151.07605	2.2
151.11191	6.0
153.12685	1.8
155.08557	3.3
157.10144	13.9
159.08026	2.2
159.11693	22.8
161.09608	5.8
161.13261	10.1
163.11168	10.9
163.14836	5.6
165.09087	2.5
165.11205	1.4
165.12706	2.9
167.08510	1.9
169.10143	5.2
170.10866	1.9
171.11690	6.8
173.09618	4.2
173.13319	10.8
175.11195	5.6
175.14819	8.4
177.12770	6.1
177.16356	6.4
181.10188	2.0
183.11656	4.3
185.13245	5.9
187.11212	4.3
187.14822	17.8
189.11197	2.3
189.12720	3.6
189.16418	7.4
191.14281	6.1
191.17996	2.3
193.12233	6.4
195.11673	1.8
195.13737	1.3
197.13264	3.9
199.14886	4.5
201.12631	3.8
201.16353	12.5
203.14291	5.3
203.17952	1.9
205.12186	3.9
205.15948	18.0
206.16267	2.1
207.17574	7.0
209.13281	1.7
213.16342	2.7
215.17969	2.2
217.15869	4.8
219.13843	3.0
219.17442	20.2
223.14919	2.5
223.16777	8.5
225.16237	1.9
227.17783	1.9
233.15364	1.8
239.14258	2.4
243.17461	1.7
255.17477	1.5
273.18539	2.1
275.16370	1.9
337.25320	2.1
351.23096	6.0
369.24265	14.0
387.24844	5.0
389.26822	3.4
407.32977	5.0
425.25714	1.8
425.34793	11.7
443.27893	8.6
443.35431	100.0
444.35309	2.5
461.27872	33.4
461.35995	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	461.3637
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
52.09294	2.6
53.03942	5.4
55.01871	6.9
55.05513	28.2
57.03431	3.0
57.07071	5.5
65.03909	4.6
67.05512	43.7
69.03428	7.8
69.07078	24.2
69.95512	3.2
70.55444	5.8
71.05029	3.6
75.98068	2.6
79.05496	45.2
81.03435	16.2
81.07059	59.9
83.04967	7.9
83.08624	21.4
85.06532	8.3
91.05491	47.0
93.07054	62.8
95.04979	19.1
95.08617	61.9
97.06535	13.0
97.10177	7.8
99.08075	14.0
103.05468	3.0
105.07038	60.7
106.07348	5.3
107.04952	10.4
107.08596	68.7
108.08961	3.8
109.06530	13.7
109.10168	45.6
111.08111	15.3
117.07037	14.4
119.04973	4.4
119.07820	4.3
119.08601	59.6
120.08936	4.5
121.06487	14.6
121.09298	2.9
121.10147	59.8
123.08087	11.1
123.11717	9.0
125.05995	3.0
125.09634	9.7
127.07503	3.2
128.06250	3.5
129.07005	10.7
131.08572	42.8
133.06519	8.3
133.10136	47.1
135.08072	26.7
135.11696	19.5
137.05994	3.6
137.09625	15.9
137.13313	4.1
139.11188	9.2
143.08577	14.9
145.06465	7.3
145.10133	44.6
146.10539	4.0
147.04448	7.5
147.08066	9.7
147.11700	36.6
148.12029	2.9
149.09610	20.6
149.13275	22.4
151.07538	3.5
151.11212	7.6
153.09149	4.1
155.08528	8.9
157.10146	13.9
159.08017	4.4
159.11694	32.7
161.09619	6.8
161.13312	18.2
163.11195	18.7
163.14844	18.0
165.09151	2.9
165.12749	5.5
169.10194	5.2
171.08179	3.7
171.11684	12.3
173.09601	5.2
173.13255	16.5
175.11185	8.3
175.14902	16.7
177.12764	11.9
177.16365	13.0
179.14326	2.9
183.11751	6.6
185.13245	12.2
187.11209	3.7
187.14830	43.2
189.10922	3.2
189.12733	4.5
189.16351	9.4
191.10567	3.4
191.14340	6.8
193.12234	8.1
195.13777	3.8
197.13223	7.1
199.14838	12.3
201.12756	4.9
201.16409	20.2
203.14301	11.3
203.17992	7.6
205.12231	5.7
205.15941	52.5
206.16241	3.6
207.11928	3.8
207.17401	7.8
211.14886	5.4
213.16420	10.0
215.14392	4.7
215.17970	3.1
217.15877	6.9
219.17450	18.2
221.15320	4.0
223.15105	4.1
223.16998	27.8
224.17271	3.3
227.17917	4.4
231.17444	5.1
241.19434	4.5
243.17511	4.1
257.19070	3.1
279.21127	3.3
335.13187	2.9
341.24542	3.7
343.64667	3.3
347.26016	4.4
351.23383	3.5
369.24203	12.4
373.27429	32.3
387.25168	7.0
407.33167	9.4
425.35117	17.6
439.33426	2.9
443.27954	12.0
443.35547	100.0
444.35455	4.0
461.28128	39.9
461.35754	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3631
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
55.01882	3.5
55.05507	10.8
61.44362	3.2
63.00697	2.9
67.05508	20.1
69.07066	19.5
70.88158	8.2
71.04982	4.1
79.05484	25.1
81.07056	43.3
83.04967	5.0
83.08615	13.6
85.06532	3.3
90.74997	3.2
91.05480	23.8
93.07056	51.6
95.04962	7.2
95.08611	52.8
97.06515	3.4
97.10178	5.0
99.08095	19.6
105.07037	53.4
105.35271	3.0
107.05004	3.5
107.08596	82.0
109.06527	9.5
109.10163	47.4
111.08066	7.1
117.06997	8.8
119.08594	54.9
121.06490	7.9
121.10150	58.1
122.10574	3.8
123.08074	13.6
123.11688	11.4
125.09604	6.4
129.07024	7.6
131.08589	39.7
133.06526	4.2
133.10144	48.6
134.10446	3.6
135.07133	3.8
135.08069	43.8
135.11726	20.7
137.09621	3.9
137.13287	3.3
143.08566	12.5
145.09064	5.1
145.10126	45.0
147.11702	48.5
148.12022	3.5
149.09639	8.8
149.13272	30.5
151.11163	6.4
156.09343	3.9
157.10121	11.0
158.10756	3.4
159.11717	35.7
161.13289	18.8
163.11218	9.4
163.14838	32.4
169.10201	4.2
171.11644	7.3
173.13228	11.6
175.11176	5.2
175.14799	11.5
177.12764	5.9
177.16342	27.4
183.11725	6.5
185.13255	14.3
187.11217	4.3
187.14821	92.0
189.12828	3.5
189.16379	14.6
191.14270	6.6
191.17929	4.8
197.13220	3.7
199.14784	7.5
201.16389	48.1
203.14252	8.5
203.17976	7.7
205.15900	100.0
206.16167	6.2
207.17502	7.6
213.16457	8.4
215.17960	7.2
219.17496	16.0
223.16931	79.1
224.17345	4.3
225.16183	3.9
231.17485	4.6
239.17844	3.4
241.19730	3.2
245.18967	4.2
255.21164	5.9
355.26291	4.5
373.23590	4.7
373.27426	49.3
389.31863	7.2
407.33337	20.4
425.34241	43.9
443.30106	4.5
443.35327	66.7
461.36728	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3629
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
51.98666	1.4
53.03947	3.3
55.01873	3.0
55.05512	13.6
57.03441	2.0
57.07068	2.3
67.05512	13.8
69.07072	8.0
69.71588	3.2
69.71989	7.3
79.05498	16.0
81.03423	9.3
81.07064	25.7
83.04983	3.5
83.08636	10.6
85.06539	2.4
91.05478	20.2
93.07055	29.2
95.04983	5.7
95.08607	21.0
97.06541	3.3
97.10167	2.8
99.08107	5.4
105.07035	28.8
106.07394	1.7
107.04962	2.9
107.08603	38.1
109.06512	3.9
109.10160	21.2
111.08075	5.1
117.07025	5.5
119.08586	31.4
121.06494	7.1
121.10143	31.1
123.08069	4.4
123.11707	7.4
125.09629	2.8
128.06290	1.7
129.07030	3.3
131.08591	16.6
133.06538	2.7
133.10136	27.2
134.10455	2.0
135.08046	9.8
135.11684	14.6
137.09631	5.5
143.08583	5.2
145.10127	21.6
147.08067	2.6
147.11681	17.0
149.09644	17.0
149.13254	10.2
151.11172	2.9
157.10135	6.0
159.08141	1.9
159.11696	18.4
161.09641	2.8
161.13268	12.7
163.11205	9.7
163.14825	10.5
165.12732	3.1
165.60625	1.5
169.10136	2.8
171.11714	6.5
173.13304	7.3
175.11191	3.1
175.14836	6.0
177.12791	4.8
177.16403	5.0
177.59990	1.8
183.11728	3.4
185.13258	5.8
187.14838	21.9
189.16414	7.3
191.14323	4.9
191.17882	2.6
193.12231	4.5
199.14830	3.4
201.16402	14.0
203.14386	3.1
203.17947	3.4
205.15895	26.5
207.17525	7.2
215.18123	1.9
217.15897	1.8
217.19499	1.5
219.17435	16.3
223.16975	12.7
227.17981	2.8
231.17354	3.7
273.22253	1.6
305.38092	1.4
369.24146	1.9
373.27432	23.7
387.25580	1.8
389.26996	2.0
407.33151	7.6
425.34439	13.7
443.35239	100.0
444.35513	2.7
461.29028	11.8
461.36075	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	461.363
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
53.03929	2.1
55.05511	16.2
57.03447	2.9
57.07075	5.4
65.03930	3.0
66.73047	1.9
67.05513	24.3
69.03410	2.8
69.07065	16.2
71.05017	2.7
79.05495	24.5
81.03420	3.7
81.07058	43.9
83.04977	4.3
83.08622	18.0
85.06544	3.3
85.10185	3.3
91.05479	26.6
93.07047	57.0
94.36834	2.1
95.04974	6.9
95.08614	50.2
97.02901	2.8
97.06566	3.2
97.10183	4.5
98.98460	2.5
99.08125	12.5
105.07037	47.4
106.07367	2.2
107.04963	2.4
107.08602	72.4
109.06525	6.0
109.10160	42.8
111.08076	3.8
117.07014	9.3
119.06073	1.9
119.08591	62.4
121.06500	4.4
121.09338	3.9
121.10152	51.0
123.08086	10.1
123.11695	11.5
125.09647	4.2
129.07053	2.9
131.08578	44.5
133.06531	2.7
133.10136	47.6
135.08070	36.8
135.11700	22.6
137.09619	5.3
137.13254	2.9
139.11200	2.4
141.09172	1.9
143.08575	8.8
145.06583	2.3
145.10136	45.6
145.87288	1.9
147.08025	2.6
147.11694	40.7
149.09630	9.4
149.13269	29.5
151.11188	4.0
155.08517	2.8
157.10103	12.3
158.10887	3.9
159.11691	32.6
161.13286	18.5
163.11186	6.1
163.14833	33.6
165.12776	3.9
169.10056	2.7
171.11693	7.6
172.12505	3.2
173.13307	13.7
175.11133	2.6
175.14882	10.7
177.12776	5.7
177.16364	22.0
183.11690	5.3
185.13292	10.5
187.14816	79.5
189.16354	12.2
191.14314	3.8
191.17998	3.9
197.13219	2.6
199.14825	6.9
201.16399	47.3
203.14433	3.9
203.17938	7.4
205.15886	100.0
207.17513	6.5
211.14777	3.1
213.16408	8.1
215.17963	9.8
217.15863	3.0
218.95412	2.0
219.17505	15.3
219.57928	2.2
223.16948	82.9
225.16336	3.6
227.18051	2.6
229.15889	2.5
229.19516	2.7
231.17426	4.0
255.21107	6.6
259.20718	2.2
283.06210	2.6
295.24228	3.0
331.15967	2.5
333.15152	5.5
335.25870	4.1
359.13794	2.0
373.27371	35.9
389.31821	3.7
395.33197	2.8
407.18741	2.5
407.33167	29.5
425.34198	44.8
426.34390	2.4
443.29022	3.8
443.35220	59.4
444.35333	2.2
461.29965	3.9
461.36264	86.6
462.36423	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	461.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.5
67.05518	17.3
69.07061	12.4
72.74724	2.9
79.05502	20.3
81.07054	36.1
82.00623	2.7
83.08637	14.5
85.10189	3.9
91.05491	15.9
93.07050	43.5
95.04997	3.0
95.08607	40.6
99.08100	17.9
101.93591	2.9
105.07037	43.9
107.08604	61.3
109.06509	8.1
109.10171	36.7
111.08105	4.5
117.07043	5.8
119.08593	62.0
121.06517	4.6
121.10149	43.7
123.08067	13.2
123.11718	11.3
130.72217	2.6
131.08585	33.8
133.10130	37.9
135.08066	32.8
135.11711	20.0
139.11185	3.1
143.08537	8.6
145.10124	46.0
147.11716	38.5
149.09634	9.3
149.13268	23.7
151.11185	5.3
157.10156	12.1
158.10948	3.3
159.11710	22.9
161.13297	14.6
163.11154	3.8
163.14864	34.4
170.10844	3.8
171.11676	8.2
173.13269	13.0
175.14876	12.5
177.12671	3.8
177.16418	21.8
185.13277	7.1
187.14857	68.9
189.16383	12.4
191.14349	4.4
199.14833	5.5
201.16444	38.4
203.17917	6.2
205.15898	100.0
207.17403	5.4
213.16357	6.8
215.18155	6.3
217.19557	2.9
219.17485	12.8
223.16953	79.6
225.16403	3.1
231.17566	3.4
241.19411	3.8
255.21121	5.6
263.20160	3.5
373.27365	36.1
389.32013	5.2
407.33072	24.9
425.34146	43.2
443.35303	60.1
458.12274	2.7
461.36346	90.7
462.36621	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3631
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
53.03946	5.6
55.01881	8.0
55.05515	29.8
65.03937	4.8
67.05517	47.2
67.13291	4.6
69.07085	35.7
69.29619	41.1
72.05767	6.0
79.05499	49.2
81.03426	19.6
81.07071	69.4
83.05002	10.9
83.08635	25.3
85.06535	9.0
91.05492	57.6
92.05833	6.0
93.07062	68.6
95.04975	19.0
95.08622	78.3
97.06564	9.3
97.10165	6.4
99.08110	14.9
105.07043	72.8
107.04971	7.4
107.08600	72.7
109.05751	5.9
109.06535	16.1
109.10169	54.2
111.08102	7.7
117.07027	13.5
119.08592	64.8
121.06522	13.4
121.10144	68.3
123.08066	16.6
123.11723	11.3
125.09628	6.4
129.06998	14.6
131.08582	37.3
133.06555	6.3
133.10153	69.2
135.08075	23.4
135.11699	35.0
137.09644	19.7
139.11226	10.8
143.08569	17.2
145.06544	8.2
145.10110	51.1
147.08040	9.9
147.11694	33.8
149.09662	23.2
149.13281	22.2
151.11246	10.9
157.10135	13.7
158.10838	5.9
159.11687	36.4
161.09618	7.3
161.13295	24.8
163.11229	12.4
163.14795	14.8
165.09155	5.6
169.10170	9.1
171.11751	13.8
173.13303	20.1
175.14871	18.2
177.12846	8.3
177.16464	17.1
183.11766	10.5
185.13255	12.4
187.14853	47.7
189.11330	5.4
189.12811	6.0
189.16454	11.1
197.13332	5.6
199.14777	12.0
201.16365	22.9
203.14270	9.9
203.18001	8.1
205.12169	6.6
205.15886	74.8
207.17503	6.8
211.14830	6.7
213.16425	7.2
215.14389	6.2
217.15810	7.0
219.17459	17.9
223.16953	36.2
347.25485	6.4
351.23059	5.8
369.24234	12.8
373.27374	68.0
407.32993	23.4
425.34698	25.4
443.28156	25.1
443.35150	100.0
461.28424	50.6
461.36707	32.9
462.29382	5.5
471.05225	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	461.3628
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
54.20916	2.4
55.01855	3.7
55.05510	13.7
57.03423	4.6
57.07075	2.6
67.05513	20.0
69.07074	17.0
69.84811	10.1
71.04976	2.6
73.18755	2.1
79.05499	25.0
81.03394	5.3
81.07057	34.1
83.04983	4.8
83.08632	12.3
88.44608	1.8
89.10684	1.9
91.05486	22.8
93.07045	36.7
95.04952	7.2
95.08607	42.0
95.88247	2.5
97.10181	4.6
99.08094	7.5
101.11852	2.5
103.05462	2.6
104.86942	2.4
105.07035	35.8
107.04955	2.4
107.07878	3.6
107.08591	48.6
109.06502	4.8
109.09476	3.3
109.10165	29.6
111.08096	4.7
115.05476	2.2
115.37523	1.9
117.07012	5.2
119.08591	42.8
121.06535	12.4
121.09351	3.0
121.10149	40.0
123.08051	5.1
123.11718	12.6
125.09648	4.4
129.06992	4.5
131.08565	24.2
133.06523	3.4
133.10143	40.7
134.53375	1.9
135.08060	14.7
135.11705	20.9
137.09586	5.6
137.81303	2.2
143.08531	7.5
145.06465	5.3
145.10138	32.9
147.07999	3.4
147.11691	21.8
149.09598	12.4
149.13263	11.4
150.63240	2.2
151.11198	5.9
155.08620	3.5
157.10114	8.2
157.33597	2.4
159.11703	21.1
161.09605	5.9
161.13283	14.6
163.11192	7.8
163.14832	17.9
165.12709	2.6
169.10112	4.2
171.11601	6.0
173.13226	11.6
175.11125	2.6
175.14876	10.6
177.12740	5.7
177.16351	11.7
183.11728	4.2
185.13219	7.5
187.14842	33.1
189.16376	12.2
191.14297	3.9
191.17886	2.5
193.15785	2.5
197.13379	2.5
199.14850	5.7
201.12767	4.1
201.16405	21.6
203.14278	3.2
203.17940	8.6
205.15875	45.6
207.17545	5.2
213.16350	5.2
215.18007	3.9
217.15906	4.1
219.17445	15.9
223.16943	25.8
227.17978	3.5
231.17447	4.4
245.19093	3.0
255.20921	3.3
267.15915	2.2
275.23752	2.2
347.25821	2.7
367.29758	2.8
369.24222	5.6
373.27374	44.5
389.32022	2.3
407.32983	17.3
425.34167	25.4
426.34595	3.1
443.28818	4.3
443.35229	100.0
444.35455	13.1
461.29483	22.2
461.36169	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3627
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
51.76103	5.5
55.05500	22.0
57.07092	7.6
60.86905	4.4
67.05502	15.2
68.64130	5.2
69.07076	30.0
69.14131	4.2
69.56276	12.1
69.56702	20.6
79.05486	22.8
81.07060	42.3
82.36227	4.9
83.08607	19.1
91.05465	17.5
93.07058	45.9
95.04970	5.5
95.08601	43.3
97.10163	15.9
105.07052	32.2
107.07999	5.4
107.08608	57.2
109.06475	5.7
109.10168	36.9
111.08117	10.3
114.09241	4.7
117.06994	7.5
119.08589	73.5
121.10157	43.1
123.11699	22.2
125.09662	5.2
131.08563	20.5
133.10127	43.2
135.08061	7.6
135.11713	25.6
137.09615	7.9
139.11174	5.5
143.08620	6.9
144.09276	6.3
145.10121	52.6
147.11710	23.0
149.09607	16.6
149.13283	9.0
151.11165	7.2
153.12703	10.0
157.10126	15.6
159.11716	65.7
161.13260	13.2
163.11122	8.9
163.14827	56.5
168.09450	5.6
169.10149	7.0
171.11681	14.2
173.13237	24.6
175.14833	21.9
177.12758	5.7
177.16364	15.8
181.15860	31.2
183.11737	7.6
184.12494	5.7
185.13220	15.2
187.11229	6.0
187.14876	27.8
189.16350	8.2
191.14400	5.2
197.13228	8.8
199.14873	39.4
201.16399	100.0
203.14375	5.8
203.17963	13.2
205.15881	32.2
213.16333	25.7
215.17924	28.8
219.17479	47.7
225.16441	10.0
227.18005	10.3
229.19580	5.0
231.17331	7.2
237.18517	13.6
243.17484	22.8
261.18600	9.0
281.22598	8.3
348.10944	5.2
373.27386	12.2
389.31866	13.5
407.33151	70.6
425.29047	8.0
425.34238	92.8
443.35165	84.2
444.35211	5.2
461.29556	9.8
461.36087	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3633
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
53.03931	8.1
55.01857	7.1
55.05503	32.5
60.39267	6.4
67.05508	50.2
69.07066	32.6
69.85796	33.1
71.98541	6.1
75.81956	5.9
77.59544	6.1
79.05502	46.8
81.03416	7.6
81.06669	8.6
81.07063	87.1
83.05001	12.2
83.08620	27.4
83.24323	7.4
85.06519	6.7
91.05495	45.6
93.07038	80.2
95.04961	23.5
95.08608	67.4
97.06522	10.2
99.08087	12.8
105.07037	75.9
106.07374	6.9
107.04955	16.2
107.08604	94.9
108.08900	9.7
109.06535	11.2
109.10179	57.5
110.10502	8.1
111.68264	7.6
117.07022	19.5
119.08593	100.0
120.08887	21.0
121.06481	30.7
121.10148	55.8
123.08062	13.7
123.11696	24.2
125.63367	6.3
129.07036	9.7
131.08569	40.3
133.10133	60.2
135.08083	16.3
135.11696	31.9
137.09613	12.4
139.11203	8.2
143.08572	14.4
145.06471	11.7
145.10150	44.4
147.08066	9.1
147.11745	36.5
148.12041	7.6
149.09619	12.8
149.13249	29.5
151.11240	10.1
155.08572	8.7
157.10117	28.2
159.11642	31.2
160.12207	11.1
161.09604	15.4
161.13271	27.7
163.11147	12.3
163.14839	11.9
165.12781	7.3
169.10141	9.2
171.11734	20.4
173.13223	19.4
174.13556	8.0
175.14835	12.5
177.12848	13.0
177.16394	14.8
185.13271	16.3
187.14877	41.7
189.12863	8.0
189.16389	13.9
193.12209	8.2
195.13774	6.6
199.14703	12.5
201.16383	10.7
203.17914	8.6
205.15955	18.8
213.16322	8.4
217.15886	7.8
223.16838	13.8
286.79367	8.1
351.23126	7.4
364.64822	7.1
369.24326	14.8
371.25369	7.6
373.27338	8.3
407.32834	13.4
413.34311	7.4
425.33670	29.5
443.26764	9.1
443.34659	49.9
461.28604	40.4
461.36093	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3628
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
55.01868	6.5
55.05513	25.9
57.03428	9.2
57.07063	4.7
57.95571	4.6
67.05243	4.4
67.05511	45.1
69.07066	33.5
70.01896	9.6
70.02265	21.0
71.04985	5.9
77.00703	5.1
79.05498	52.0
81.03429	8.5
81.07061	72.4
83.04974	10.6
83.08624	25.1
85.06528	6.4
91.05492	51.2
93.07052	61.3
95.04968	16.1
95.08607	65.9
97.06497	6.6
97.10159	11.9
98.21478	6.7
99.08100	20.2
103.05497	7.2
105.07036	70.7
107.04960	9.1
107.08599	89.1
109.06550	18.8
109.10162	53.6
111.08083	9.3
117.07017	19.0
119.08580	93.2
121.06487	19.7
121.10146	80.9
123.08068	13.9
123.11707	19.1
125.09639	10.9
129.06976	12.5
131.08556	46.4
133.06532	12.2
133.10149	72.7
135.08116	24.9
135.11674	32.0
137.09612	17.4
139.11163	14.4
143.08560	21.8
145.10117	61.2
147.08096	8.1
147.11687	42.5
149.09636	20.7
149.13252	17.8
151.11198	7.6
155.08521	8.5
157.10168	17.6
159.08069	7.8
159.11725	48.0
161.09660	11.8
161.13249	25.1
163.11180	13.4
163.14822	26.1
169.10170	9.3
171.11668	11.7
173.09604	5.7
173.13200	24.5
175.14833	15.9
175.75388	4.7
177.12737	12.6
177.16403	15.7
183.11656	9.8
185.13228	11.3
187.14838	77.8
189.16449	15.1
191.14304	9.9
199.14790	13.1
201.16403	28.7
203.14282	10.8
203.17946	11.9
205.15935	83.3
207.17424	7.7
213.16426	9.2
216.07309	4.9
217.15846	6.6
219.17517	19.1
223.16974	45.3
227.17889	8.3
231.17400	10.0
245.19299	4.9
292.11514	5.4
305.22580	6.1
347.25940	6.4
351.23407	10.4
369.24167	11.6
373.27390	100.0
374.27521	5.6
387.25262	5.6
407.33548	23.5
425.34067	20.7
443.27945	14.6
443.35458	94.1
461.28687	44.7
461.36017	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	461.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01867	7.0
55.05511	10.1
56.58731	1.8
57.03450	2.9
57.07071	3.5
62.83508	1.9
64.43822	2.2
65.03955	1.8
67.05508	20.8
69.03422	2.8
69.07074	11.1
69.34617	9.3
69.35046	8.0
71.05000	3.3
73.61093	2.3
79.05492	24.2
81.03426	2.3
81.07065	29.2
83.04987	4.5
83.08623	6.9
85.06546	4.9
91.05486	24.6
93.07056	27.4
95.04974	7.7
95.08617	27.1
97.06539	6.7
99.08099	37.3
103.77094	1.9
105.07045	41.5
106.07352	2.9
107.04978	6.1
107.08606	47.4
109.06516	10.0
109.10166	29.7
111.08092	8.9
117.07006	8.8
119.08592	30.8
121.06522	14.6
121.10149	24.8
123.01279	2.3
123.04435	2.2
123.08082	9.6
123.11708	7.6
125.09647	5.0
127.07561	23.5
128.06151	2.8
129.07021	4.5
131.08612	20.0
132.08980	2.4
133.06462	5.8
133.10149	36.9
135.08061	7.9
135.11697	9.2
137.09622	7.8
139.07549	3.2
139.11172	4.3
141.07007	2.4
143.08591	11.4
144.09323	2.3
145.10150	36.4
147.08052	5.7
147.11719	17.6
149.09656	11.5
149.13242	7.8
151.07565	14.8
151.11188	7.0
155.08572	3.5
155.10645	2.8
157.10106	11.0
159.11714	27.9
161.09624	4.6
161.13293	10.9
163.07654	2.1
163.11165	9.0
163.14897	12.1
169.10152	6.3
171.11714	9.2
173.13321	8.8
175.11166	3.0
175.14856	8.7
177.12794	6.5
177.16397	8.2
183.11722	6.0
185.13240	8.6
187.11198	4.9
187.14830	30.7
193.12280	4.3
195.11765	3.0
197.13304	4.0
199.14684	3.1
201.12770	5.9
201.16414	8.2
203.14259	3.4
205.12259	9.9
205.15913	46.5
209.13284	3.6
211.14804	5.1
215.14291	4.1
217.15871	3.0
219.13844	3.5
221.15372	4.4
223.13319	6.6
223.16908	28.4
225.16281	2.4
241.15984	2.7
243.17496	3.4
265.19528	8.1
271.17075	2.3
273.18381	2.3
281.22687	2.1
283.20511	6.1
299.23807	7.4
317.24762	4.4
335.23831	4.7
351.23141	7.0
353.24805	9.1
369.24109	8.5
371.25900	4.6
373.27448	2.6
387.25256	4.2
389.26898	100.0
407.29153	9.9
425.30310	17.3
443.31592	10.3
461.32962	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
55.01892	12.3
55.05512	46.5
57.03451	8.5
57.07064	11.8
67.05513	81.9
69.07066	50.9
69.26563	35.9
69.26973	12.5
74.96097	5.5
79.05500	79.3
81.03434	40.0
81.07063	98.7
82.07393	5.5
83.04974	17.7
83.08630	39.7
85.06521	7.8
91.05493	61.1
92.05822	5.5
93.07053	87.4
94.07359	11.6
95.04971	41.7
95.08621	85.5
95.70538	5.3
96.08910	7.0
97.06516	10.6
97.10187	13.4
98.20779	7.8
99.08085	17.5
103.05481	6.6
105.07043	72.2
106.07356	17.6
107.04970	17.9
107.08605	81.3
108.08903	15.0
109.06514	17.0
109.10162	52.1
111.08060	17.7
115.05466	8.6
117.06998	20.8
119.08585	85.8
120.08913	14.8
121.06510	17.4
121.10162	57.5
122.10510	10.4
123.08022	11.0
123.11703	19.6
125.09605	14.7
127.07523	5.7
128.06184	9.1
129.07034	24.4
131.04967	6.4
131.08588	51.9
133.06491	22.5
133.10147	63.8
134.10480	11.7
135.08087	9.7
135.10812	5.8
135.11707	33.6
136.12007	16.9
137.09593	10.9
139.11185	5.7
141.06995	6.5
143.08554	18.7
145.06496	19.0
145.10133	50.9
146.10513	13.4
147.08020	11.1
147.11708	35.0
148.11980	11.5
149.09653	24.6
149.13240	22.3
151.11125	7.8
153.09103	6.0
155.08446	6.0
157.10095	27.7
158.10497	7.8
159.11702	36.1
161.13252	22.5
162.13588	9.2
163.11166	18.9
163.14876	11.0
165.12764	5.8
169.10117	11.1
171.11653	18.6
173.13260	22.5
175.11255	6.9
175.14804	12.8
177.12695	7.1
178.16745	5.8
181.10095	5.9
183.11742	6.6
185.13298	15.4
187.14931	25.8
188.15065	11.4
189.11237	8.2
189.12790	8.4
191.14220	6.1
193.12274	17.5
195.11667	5.0
195.13852	6.0
197.13263	8.3
199.14783	16.4
200.15102	7.9
201.16380	14.7
203.14304	23.6
204.14699	23.0
205.12334	6.1
205.15805	22.4
206.16263	9.2
213.16519	8.5
217.15945	13.4
219.17422	8.4
221.15372	7.5
223.16901	14.3
224.17221	9.9
231.13980	6.0
231.17305	6.2
283.20135	6.5
298.62061	6.1
351.23276	18.4
369.24051	27.2
387.25323	23.1
407.32758	14.1
425.33984	15.2
427.99878	6.0
443.27374	25.2
443.35159	61.6
461.28876	100.0
461.35504	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	461.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.7
55.01852	3.3
55.05512	19.6
57.03446	16.3
57.07074	6.2
65.03925	3.7
67.05184	5.4
67.05508	68.2
69.03433	4.6
69.07069	25.8
71.05010	3.5
71.50612	6.5
79.05136	3.9
79.05503	37.1
81.03426	6.4
81.07056	76.4
83.04964	6.1
83.08614	11.8
83.56205	3.6
85.06525	3.6
88.03056	3.3
89.80363	3.4
91.05483	24.3
91.75497	3.3
93.07047	49.7
93.43677	3.3
94.07388	3.4
95.04989	5.3
95.08610	60.5
96.32271	3.3
97.10171	3.7
98.98473	90.1
99.08068	5.3
105.07050	29.5
107.04935	4.6
107.08587	40.0
108.08949	4.1
109.10168	40.3
111.08050	4.8
113.09583	3.2
117.07008	12.6
119.08566	25.9
121.06494	4.8
121.10158	27.5
123.08042	7.3
123.11714	14.7
127.01563	31.0
129.06984	5.8
131.08594	20.6
133.10143	23.8
134.10471	3.3
135.11711	18.2
137.13261	5.4
139.11191	6.1
143.08559	4.6
145.10153	16.2
146.10437	3.9
147.08197	4.1
147.11703	17.9
149.13261	12.0
155.01068	16.1
157.10109	5.8
159.11716	15.5
161.13278	10.1
163.11217	3.2
163.14784	9.1
171.11702	4.8
173.13246	11.9
175.14880	7.2
177.16389	4.3
183.04207	24.4
183.11627	4.7
185.13162	3.8
187.14824	10.3
189.16267	3.6
191.10559	5.0
199.14705	5.7
201.05286	11.1
201.16379	5.3
205.15976	7.4
211.92082	3.5
243.21135	8.1
261.22192	18.3
272.01166	3.5
296.34973	4.0
317.24811	6.7
335.25854	100.0
407.32501	3.6
425.33844	6.2
443.35495	6.4
445.42728	3.6
461.33057	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	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	10.7
55.01851	8.8
55.05513	29.4
57.03418	6.1
57.07075	4.7
60.74362	2.5
65.03915	2.5
66.42148	2.7
67.05196	3.7
67.05513	62.4
69.03407	5.5
69.07077	24.9
69.56017	17.2
74.67625	2.9
77.03922	3.6
79.05081	3.8
79.05499	51.1
80.35851	2.7
81.03429	81.8
81.06608	4.5
81.07062	81.9
83.04992	14.1
83.08632	32.6
85.06540	6.1
91.04988	4.0
91.05491	54.3
93.07053	57.4
94.05643	3.3
95.04982	33.7
95.08615	29.9
97.06525	12.2
97.10174	14.6
99.08081	7.4
105.07034	37.6
106.74338	2.8
107.04956	12.7
107.08608	43.2
109.06531	8.7
109.10169	16.6
111.08073	13.3
113.34242	2.5
115.05464	3.0
117.07024	17.6
119.04890	3.4
119.08586	33.1
121.06520	12.7
121.10142	36.0
123.08078	5.5
125.09605	7.6
129.07054	13.9
131.08569	24.3
133.06444	8.4
133.10120	26.1
135.08014	7.9
135.09050	2.6
135.11719	15.2
137.09605	5.1
139.11182	8.3
142.07809	3.5
143.08565	3.7
145.06453	7.1
145.10133	18.4
147.08018	8.9
147.11743	16.8
149.05902	2.9
149.09622	10.5
149.12390	2.5
149.13304	26.6
155.08560	4.5
157.10130	18.9
159.08055	3.6
159.11707	18.9
161.09639	4.6
161.13306	5.1
163.11133	3.7
165.09082	4.5
169.10156	6.7
171.11674	9.2
173.13184	6.1
175.11150	12.7
177.12726	11.1
181.10173	5.2
183.11719	3.4
185.13194	5.8
187.14841	9.8
189.11168	4.3
193.12245	26.8
195.11774	4.4
195.13779	8.0
199.14774	3.7
201.16457	4.3
203.14392	4.4
205.12065	3.5
205.15852	7.6
217.15953	6.3
229.15865	3.8
243.13745	2.9
249.14873	3.3
341.24683	3.0
343.22470	3.8
351.23172	7.3
369.24161	18.9
387.25159	6.8
417.26044	3.4
443.27158	14.1
443.35815	16.0
461.28842	100.0
461.34216	4.4
462.29099	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	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.9
55.01859	10.5
55.05517	17.5
57.03430	6.2
57.07080	3.4
61.02927	4.5
67.05492	10.0
69.03430	39.8
69.06736	3.5
69.07070	36.1
71.04990	11.9
71.49988	4.3
73.02901	7.0
79.05483	5.6
81.03432	34.5
81.07075	23.8
83.04971	6.7
83.08147	2.6
83.08611	9.4
85.02911	70.2
85.06538	10.5
85.56461	3.1
87.00838	27.0
91.05479	11.5
91.86905	2.7
93.07074	16.4
93.07576	2.7
95.04973	3.6
95.08610	37.7
97.02374	2.6
97.02904	20.8
97.06522	5.6
97.10163	13.3
99.04472	17.1
99.08092	23.4
105.01884	23.8
105.07011	7.1
107.05004	3.7
107.08600	37.4
109.02894	30.8
109.10178	14.6
111.08055	3.1
111.11731	8.3
113.09649	7.9
117.01851	3.9
119.04961	5.6
121.06505	3.8
121.10150	55.1
122.04543	3.0
123.11707	12.6
125.09644	9.5
127.03928	56.8
127.11190	3.7
129.01831	4.6
131.08556	3.1
135.11725	18.3
137.05977	4.1
137.13248	16.6
139.11177	7.1
145.04967	16.8
147.03311	4.3
147.04405	29.3
149.13269	3.0
150.66051	3.3
151.14851	3.5
153.01855	8.3
153.12738	11.3
159.02893	14.0
163.11136	3.6
167.07100	4.5
173.09564	3.4
177.16400	100.0
195.17461	64.7
196.10518	2.9
213.18510	44.2
229.83572	2.7
231.05063	8.1
264.76898	2.9
426.44174	3.5
461.23608	8.1
461.30460	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	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.0
55.01857	11.2
55.05512	19.1
57.03434	5.5
57.07068	5.8
61.02912	3.5
65.55027	2.9
67.05492	11.3
67.52856	2.8
69.03435	41.4
69.07082	33.5
70.64899	3.7
70.65247	7.4
71.04995	10.1
73.02897	6.8
79.05502	6.8
81.03428	31.4
81.07057	21.4
83.05005	6.1
83.08618	5.7
84.70538	3.2
85.02434	5.3
85.02908	55.9
85.06558	14.8
87.00826	23.0
87.04449	4.2
91.05475	13.4
93.07066	16.7
95.04968	4.5
95.08611	31.3
97.02896	16.9
97.06551	4.7
97.10193	14.6
97.50021	3.3
99.04450	14.1
99.08093	25.0
105.01857	19.6
105.07015	7.2
107.08587	33.1
109.02884	27.4
109.10160	11.6
111.08106	6.0
111.11723	7.0
113.09646	5.7
119.04926	9.3
119.08544	4.9
121.02840	4.4
121.10162	38.3
123.11678	8.2
125.09615	9.0
127.03925	49.1
129.01862	5.0
131.04869	4.2
131.08568	3.4
133.10164	3.9
135.11732	14.2
137.05995	5.9
137.13261	11.4
145.04990	16.2
147.04405	29.8
149.13263	6.7
153.01845	10.6
153.12727	13.5
159.02972	14.4
167.06941	4.8
177.16396	100.0
186.72118	3.1
195.17447	56.7
213.18538	44.9
231.04987	8.2
308.73538	3.0
461.24054	7.0
461.30688	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	461.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78107	4.5
55.05515	5.6
56.49954	4.2
69.03422	5.1
69.07072	11.4
70.52789	7.8
70.53134	6.4
71.04974	6.4
73.33162	5.1
79.05508	8.1
81.03426	7.3
81.07061	20.0
83.08616	7.9
85.02912	16.8
91.05501	19.6
93.07047	10.6
95.08632	25.5
97.02887	6.4
97.76767	4.2
99.08108	24.8
105.07037	7.6
107.08623	32.3
109.02877	6.1
109.10152	7.9
111.08094	12.7
115.05523	4.8
119.04956	19.4
121.10149	48.9
122.03574	5.7
125.09612	6.7
125.58843	4.5
127.03948	8.6
131.05016	4.0
131.26157	4.4
132.96259	4.9
135.11656	8.2
137.06009	18.8
137.13309	6.0
143.03452	5.4
143.04918	4.9
147.04428	100.0
149.09473	4.3
151.03952	4.7
153.01851	60.3
153.03000	6.8
163.03859	5.3
167.07048	17.3
177.16394	91.8
195.17497	22.4
205.08502	4.6
213.18510	65.9
387.14984	5.2
461.18439	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	461.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
52.04015	0.3
55.01849	0.5
57.03403	0.3
65.03934	1.0
67.05490	0.3
67.88899	0.3
69.03410	1.5
69.55555	2.2
70.06600	0.4
71.04984	3.2
79.01856	2.9
81.03398	0.8
84.58142	0.4
85.02914	3.1
88.72363	0.4
89.65865	0.3
91.05489	14.2
97.02883	0.9
100.31799	0.3
105.07027	0.4
107.01292	0.6
107.04935	0.5
109.02879	1.0
119.04950	27.4
125.02344	1.6
127.03936	0.6
129.05511	0.6
143.03429	3.0
147.04419	100.0
148.04738	0.9
151.07582	0.9
153.01840	55.8
153.02866	2.8
159.08168	0.4
159.70580	0.3
163.07530	0.4
185.06052	0.7
187.07587	1.2
191.83971	0.4
203.07173	0.3
213.03902	0.6
231.06561	2.8
255.06604	0.8
271.31107	0.5
315.07193	0.4
443.09747	1.7
454.19409	0.3
459.59308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12631	1.8
58.79025	1.6
59.41071	1.7
60.09119	1.5
65.03954	2.2
65.44386	1.7
69.03427	3.9
71.49023	2.7
71.49384	1.9
81.03426	3.7
83.00110	1.9
86.09726	3.2
91.05507	10.7
91.05968	1.7
109.02899	1.9
119.04947	20.8
121.02856	1.8
123.04332	2.1
135.04425	3.9
145.02835	2.3
147.04411	100.0
153.01820	14.3
163.03897	25.4
165.05429	3.1
187.07376	1.7
190.15349	1.7
205.04935	1.9
241.05177	1.7
309.09631	2.1
320.92657	2.0
461.14273	3.2
461.20160	2.3
470.03781	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01862	2.5
55.05499	1.1
55.11701	0.9
57.03429	4.6
57.07074	15.7
61.02933	7.4
63.04497	14.3
63.42109	0.9
68.05876	1.1
69.03439	16.1
69.32627	9.4
70.06542	1.3
70.75503	1.0
71.01357	0.9
71.04997	2.6
71.22066	0.9
73.02905	2.9
76.53254	1.0
81.03431	8.1
85.02914	100.0
86.09681	1.5
87.04449	2.5
87.76765	0.9
91.03968	4.8
92.47174	1.0
97.02899	25.6
99.04455	4.1
101.09658	1.2
109.02901	7.3
115.03951	1.4
119.10705	78.3
119.68449	1.1
127.03932	25.5
145.04979	44.6
147.04420	2.9
153.01813	3.9
163.03969	1.3
163.06047	13.8
166.37714	1.1
208.03021	1.2
248.02704	1.0
287.03790	1.3
288.04034	2.4
330.40161	1.1
460.19037	8.0
461.19492	1.1
478.22083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
55.05507	18.1
57.03442	28.0
57.07083	6.8
67.05185	3.4
67.05511	39.5
69.07088	17.1
70.49876	7.3
70.50280	6.5
71.04994	4.7
71.08631	3.9
79.05489	14.7
80.30767	3.5
81.07064	46.4
82.07384	3.8
83.04964	5.8
83.08601	11.3
85.06547	12.8
91.05488	16.9
93.07049	33.8
95.08617	50.4
97.06525	4.7
97.10213	7.1
99.04516	3.5
99.08084	10.3
105.07018	23.6
107.08614	29.4
108.08902	3.3
109.06539	3.4
109.10174	26.4
110.10486	4.9
111.08118	5.0
117.07008	5.4
119.08601	23.2
120.08880	6.6
121.06487	4.4
121.10151	34.3
123.11703	10.0
125.09607	5.7
131.08536	7.4
133.10170	17.3
134.10472	4.4
134.14983	3.2
135.08067	4.6
135.11714	21.1
143.08636	3.6
145.10112	11.9
146.10454	6.0
147.11682	14.3
148.11975	3.8
149.13254	11.0
151.07538	6.0
152.07843	3.3
157.10167	4.0
159.11667	10.2
161.13248	6.6
163.14822	8.2
171.11774	3.6
173.13307	7.9
175.14795	8.4
177.16356	4.0
185.13353	4.2
187.14825	5.7
188.15079	5.4
203.14352	3.5
203.17911	3.3
205.15842	5.7
231.30750	4.0
249.22089	6.3
259.24237	7.5
277.25250	15.7
287.23618	6.3
305.24792	75.0
323.25812	100.0
359.73212	3.5
365.26758	11.9
442.33807	13.7
460.34894	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	460.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	5.7
53.14009	4.9
53.55285	4.4
55.05510	14.6
55.93542	4.9
56.94307	6.6
57.03436	17.3
57.07069	17.9
61.02930	31.7
66.97570	5.2
67.05507	19.1
69.03442	15.6
69.07064	7.9
70.95872	5.9
71.08653	10.4
71.50755	7.3
72.93789	19.3
73.02931	8.2
79.05502	13.6
81.03423	22.1
81.07065	22.7
83.04970	5.5
83.08627	17.4
85.02921	31.7
85.10170	4.9
90.94860	10.3
91.03960	19.0
91.05484	17.1
93.07054	20.4
95.04960	9.1
95.08603	26.6
96.08923	6.5
97.02878	24.2
99.04513	6.3
103.03967	7.3
105.07031	19.3
105.07702	4.6
107.04950	5.5
107.08620	17.2
108.08892	6.8
109.02921	7.6
109.10165	19.9
117.07043	6.7
119.08595	31.2
120.08964	8.0
121.10146	14.5
122.10501	7.3
123.11734	6.5
127.03959	9.9
128.96335	6.1
131.08609	6.7
132.95860	14.3
133.10143	18.1
134.10388	5.8
135.11758	7.2
140.48634	4.9
144.95863	17.0
145.10114	8.3
147.11703	13.4
149.13245	6.4
155.54568	5.5
158.97414	7.0
161.13310	5.9
168.95859	6.0
175.14841	5.7
186.96942	32.1
187.14857	6.5
189.16521	7.6
193.12280	16.3
198.96909	8.3
205.15973	5.6
205.38074	5.0
206.16170	7.6
211.13303	14.3
213.01923	5.6
216.97964	6.7
234.98889	5.5
243.09425	5.5
251.07388	15.9
265.05225	31.7
283.06299	100.0
284.06696	12.7
285.16953	10.4
301.07413	24.9
306.07913	13.4
313.27399	20.8
324.09070	8.2
424.32584	10.7
442.33813	16.4
460.35172	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	460.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.0
55.01882	12.1
55.05512	1.9
57.03429	6.0
61.02935	6.6
62.70226	1.4
65.58878	1.4
65.71936	1.3
67.05492	1.4
68.99773	3.2
69.03432	30.6
69.07093	2.4
69.42778	8.3
69.43182	3.3
71.04983	4.4
73.02920	8.1
79.05473	3.5
81.03427	30.1
81.07052	4.3
85.02911	75.4
87.00316	2.4
87.00831	33.4
87.04469	2.1
89.02462	1.4
91.04008	1.7
91.05469	4.5
93.03387	1.8
93.07050	3.2
95.08601	3.4
97.02898	28.8
97.06573	1.5
99.04462	14.6
103.05497	7.1
104.29099	1.4
105.01872	28.9
105.07018	6.8
106.07365	2.0
107.04954	7.9
107.08611	2.5
108.04487	10.3
109.02882	27.4
117.01865	4.7
119.08597	3.5
120.08965	1.9
121.02850	1.4
121.06536	1.7
121.10132	2.2
126.05519	3.4
127.03928	57.8
129.01836	3.3
131.08542	2.1
132.13214	1.4
133.10118	2.2
135.08052	8.7
139.03879	4.1
144.61430	1.4
145.04973	25.4
147.02905	2.7
147.04410	5.1
147.11661	3.4
154.06252	30.0
159.02907	20.4
159.11742	1.6
163.03972	1.9
163.07556	32.0
167.07072	2.2
180.07816	1.6
195.10181	100.0
196.10431	2.0
212.05562	1.8
213.03929	1.7
230.06644	4.1
231.05096	11.5
248.07623	4.5
266.08859	1.8
460.20352	1.4
460.27084	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35006	3.5
53.03938	6.8
55.01871	7.0
55.05516	20.0
57.07070	4.2
57.55328	2.9
65.03940	5.6
67.05515	22.3
69.03453	4.9
69.07075	18.2
70.03741	2.8
71.05013	3.3
79.05500	37.3
81.03450	4.8
81.07065	61.0
83.08607	12.6
85.02953	3.0
85.06538	8.7
91.05492	43.7
92.05821	3.2
93.07054	77.9
94.07382	3.1
95.04977	7.1
95.08614	66.8
97.06542	7.2
97.10151	5.3
99.08090	17.7
103.87002	2.8
105.07041	73.2
106.07373	3.8
107.08607	97.0
108.08886	4.4
109.06516	13.4
109.10166	37.5
111.08088	6.4
117.07040	12.3
119.08598	100.0
121.06505	7.5
121.09340	5.2
121.10153	60.4
123.08067	9.3
123.11704	12.3
125.09664	6.2
127.07556	3.4
128.06236	3.7
129.07008	11.3
131.08578	54.4
132.08891	4.0
133.10152	80.0
135.08049	12.0
135.11714	31.2
137.05975	5.6
137.09608	14.6
137.13313	3.7
139.11198	8.7
142.07803	10.0
143.08583	28.2
144.09261	6.1
145.10136	58.7
147.08002	6.3
147.11710	61.1
148.12048	4.0
149.09637	18.0
149.13286	22.2
151.11157	7.8
155.08527	8.0
156.09369	6.0
157.10138	40.0
158.10837	5.3
159.11708	52.6
161.09634	7.0
161.13319	31.6
163.03810	3.5
163.11205	11.1
163.14877	25.9
165.12819	5.0
169.10136	14.8
170.10861	6.2
171.11702	26.6
173.09888	3.0
173.13295	47.5
175.11189	7.5
175.14838	17.7
177.05397	2.9
177.12831	6.4
177.16348	4.1
179.08421	3.1
181.10052	5.9
182.10997	4.0
183.10265	4.0
183.11655	17.8
185.13309	31.5
187.14864	30.1
189.12741	7.1
189.16374	8.2
191.14311	9.1
193.12234	4.0
195.11732	5.9
197.13277	14.4
199.14894	25.2
201.12709	5.2
201.16388	25.3
203.14291	21.1
203.17955	3.9
205.15845	4.9
208.12347	4.3
209.13446	6.6
209.15427	8.7
211.14819	7.4
213.16319	14.5
215.14392	7.0
215.17941	13.5
217.15935	5.5
219.17406	3.4
221.13414	3.2
221.15388	13.8
223.14880	4.0
225.16360	7.4
227.17862	3.3
229.16054	3.8
229.19568	3.4
233.18941	7.8
239.16203	4.9
241.19505	5.1
243.17519	9.6
243.21066	6.6
255.21091	7.8
259.20615	6.2
261.18567	3.7
269.22635	5.0
271.20663	4.0
273.22171	16.6
275.23572	7.5
287.23761	9.6
299.19839	5.3
317.21259	6.2
327.26627	3.8
335.23578	3.8
351.26416	4.0
365.28281	3.6
393.31458	14.4
395.32678	5.7
405.31723	24.1
411.32520	11.3
423.32617	44.5
441.33823	22.5
459.34766	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3471
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
54.22952	2.2
55.05505	9.0
57.07062	2.7
60.58893	2.1
67.05499	10.6
68.40976	2.0
69.03409	3.1
69.07084	10.5
69.46310	10.7
69.46732	5.3
69.94656	2.2
79.05482	9.0
81.03414	2.0
81.07050	21.5
83.04974	5.1
83.08614	7.1
86.31358	2.3
91.05463	11.1
93.07050	28.5
95.04961	3.2
95.08614	32.1
97.06568	2.5
97.10160	2.4
98.21488	5.1
99.08086	6.3
105.07049	27.5
107.08603	34.1
107.09663	2.2
109.06510	3.7
109.10167	27.6
111.08096	4.9
115.19526	2.3
117.06995	4.8
119.08585	44.9
121.06471	2.5
121.10157	27.9
123.08036	4.7
123.11705	9.2
125.09548	3.1
131.08563	9.5
133.06538	3.2
133.10146	37.5
135.08028	5.0
135.11703	20.2
137.09666	3.4
137.13290	2.9
139.11153	3.1
143.08578	6.5
145.10129	23.7
147.08078	4.6
147.11697	17.1
149.09625	5.2
149.13284	7.4
151.11197	4.5
155.08629	2.8
157.10153	7.7
159.08044	3.9
159.11700	14.0
161.09644	11.5
161.13232	7.0
163.11136	4.4
163.14850	7.3
171.11711	6.2
173.13211	13.4
175.11258	2.6
175.14830	16.2
177.12695	3.2
177.16406	5.5
183.11729	3.4
185.13245	4.0
187.14835	20.6
189.12680	3.6
189.16418	14.7
199.14772	5.8
201.16396	7.8
203.14412	7.0
205.15916	16.0
207.17410	3.8
211.14819	2.4
213.16470	3.0
214.02446	2.3
215.14319	2.6
215.17894	3.1
217.15813	10.4
219.17393	3.2
223.17062	3.5
227.17853	2.6
231.17374	3.5
233.15294	5.2
233.19058	2.8
235.16974	5.4
239.18137	2.8
289.21667	3.1
329.24725	2.5
405.31622	7.2
411.32394	10.4
417.73816	2.0
423.32303	23.7
440.34549	2.5
441.33563	56.4
459.34692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3472
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
51.43699	2.4
53.03960	4.2
55.01880	3.5
55.05510	9.8
57.07064	4.5
59.14059	2.3
64.78078	2.4
67.05498	12.4
69.07070	21.4
69.51229	18.3
73.06554	5.0
79.05499	15.1
81.07070	30.5
81.96682	2.3
83.08621	5.5
85.06554	4.3
91.05482	17.2
93.07043	29.2
95.08611	32.2
97.06551	5.9
99.08105	25.0
105.07038	74.7
107.08606	47.8
109.06514	8.5
109.10172	34.0
115.07594	7.9
117.07062	3.4
119.08587	53.9
121.06514	2.7
121.10152	41.8
123.08102	6.8
123.11717	9.1
125.09645	7.5
129.07036	3.4
130.07719	2.7
131.08577	23.9
133.06500	14.3
133.10149	44.3
135.08063	9.3
135.11705	15.8
143.08592	8.0
143.96178	2.5
145.10143	32.4
147.08144	4.9
147.11694	25.6
149.09636	7.5
149.13272	8.4
151.11165	6.4
157.10162	11.2
159.08031	2.5
159.11685	23.7
161.09669	3.7
161.13268	13.7
163.11192	6.8
163.14818	11.0
171.11710	13.4
173.13257	21.4
175.11198	3.4
175.14778	29.3
177.16397	10.2
183.11786	5.2
185.13255	13.7
187.11353	3.2
187.14819	33.4
189.16420	9.2
191.14319	7.2
193.15984	7.3
197.13246	4.2
199.14905	14.3
201.16386	14.2
203.14326	58.3
205.15892	38.1
211.14902	6.5
213.16415	7.4
215.18100	4.3
217.15845	7.0
218.13934	2.7
219.17474	5.0
221.15427	18.1
223.16948	34.7
225.16429	4.3
227.17957	3.0
229.15898	3.6
231.17435	3.0
253.19540	4.6
271.20468	3.7
340.73520	2.6
347.25809	3.0
353.47946	2.9
405.31369	12.4
423.32700	27.4
441.33649	57.2
459.34692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3469
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
50.74934	3.6
53.03934	4.4
55.05510	8.4
57.07061	4.6
67.05503	10.4
69.07070	11.1
71.23247	7.2
77.63774	3.9
79.05489	17.5
81.07066	27.4
83.04994	4.0
83.08662	4.0
84.86378	3.8
88.03274	4.3
91.05496	14.7
93.07037	30.1
95.04987	4.8
95.08608	32.6
96.10313	3.7
99.08100	37.7
105.07035	68.9
107.08599	53.3
107.50306	3.9
109.06527	7.6
109.10158	36.4
111.08105	5.2
117.07059	9.4
119.08578	58.9
121.10148	39.3
123.08081	8.5
123.11710	9.7
127.07540	13.5
129.07031	5.5
131.08592	28.2
133.06534	5.8
133.10143	52.0
135.08112	4.9
135.11703	16.0
143.08580	16.1
145.10136	38.8
147.08099	5.4
147.11705	27.9
149.09709	6.0
149.13234	12.6
151.11215	8.0
155.08582	5.5
157.10144	17.8
159.11726	32.6
161.09633	7.2
161.13243	27.2
163.11194	11.8
163.14851	11.6
165.09232	6.0
169.10182	5.3
171.11691	17.1
173.13289	26.4
175.14851	32.5
177.12827	7.0
177.16354	18.5
183.11761	8.1
185.13293	19.4
187.14830	42.1
189.16431	10.9
191.18027	5.6
197.13257	6.4
199.14883	22.0
201.16389	18.5
203.14348	33.3
205.15852	41.0
211.14819	9.4
213.16370	9.0
217.15891	20.6
219.17599	4.5
221.15340	8.8
223.16930	33.5
267.21011	5.9
271.20322	5.0
329.81485	4.5
405.31516	28.9
423.32666	51.5
441.33755	100.0
459.34747	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3471
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
50.51110	3.5
53.03938	9.8
55.01866	12.1
55.05274	5.4
55.05513	60.5
57.03438	8.8
57.07074	3.4
65.58183	3.7
67.05511	54.8
69.03408	11.4
69.07076	32.3
69.41975	31.3
69.42303	7.2
74.03606	3.4
79.05495	60.0
80.05383	3.5
81.03419	33.0
81.06603	4.1
81.07059	62.6
83.04975	16.2
83.08153	5.1
83.08613	38.9
85.02907	6.9
85.06541	5.6
85.53587	3.4
87.65702	3.5
91.05488	45.3
93.07057	60.0
95.04979	22.6
95.08611	63.7
97.06501	11.3
97.10172	27.9
98.97587	4.5
99.08089	21.0
100.40739	3.9
103.05398	3.4
105.07040	59.1
107.04954	22.8
107.08591	75.4
109.02863	4.4
109.06512	12.9
109.10162	46.0
111.08061	22.1
113.05933	4.3
113.09618	6.7
117.07006	19.2
119.08596	62.3
121.06481	19.1
121.10150	44.3
123.08055	13.4
123.11707	8.8
125.09625	20.9
128.06187	4.9
129.06989	16.5
129.09131	12.1
131.04939	7.4
131.08588	30.3
133.06511	14.5
133.10124	44.8
135.08040	16.1
135.11736	18.9
137.09618	8.2
139.11157	16.9
141.06978	6.1
142.07698	5.3
143.08603	16.3
145.06508	29.0
145.10130	33.3
147.04442	4.0
147.08020	14.5
147.11679	33.5
149.09628	14.0
149.13255	11.8
151.11206	6.4
153.09091	6.7
153.12750	11.8
155.08583	12.3
156.09328	5.2
157.06506	5.3
157.10175	20.1
159.08054	11.0
159.11739	27.0
161.06062	4.9
161.09604	10.5
161.13252	17.3
163.11153	12.0
163.14799	4.8
167.08556	4.6
169.10094	10.1
171.07996	10.6
171.11702	22.5
173.09627	10.8
173.13257	17.7
175.11183	8.3
175.14827	13.5
177.12753	11.2
177.16455	6.1
183.11714	10.3
185.13281	16.5
187.11185	8.7
187.14841	17.6
189.11191	8.9
189.12743	10.9
189.16429	8.2
191.14317	4.9
193.12280	20.9
195.11717	9.0
197.13341	5.7
199.11186	5.4
199.14771	6.9
201.12640	5.5
201.16437	7.7
203.14264	13.3
205.15912	19.7
209.13278	10.3
211.14825	9.5
213.12772	4.3
213.16437	7.1
215.14349	5.8
217.16000	8.2
219.17474	7.6
221.15312	4.3
223.14996	4.5
223.16895	7.2
225.12660	4.6
225.16383	6.3
227.14290	4.4
227.17909	9.8
229.15866	4.7
231.17195	4.8
233.15320	6.7
237.16489	6.5
253.19446	5.0
255.13780	7.7
255.17477	4.2
255.97029	4.4
271.16858	5.1
271.20718	6.8
273.14862	20.3
283.20514	6.5
285.22058	6.6
290.94498	5.0
339.23285	10.2
349.21774	20.5
357.24539	5.5
360.41217	4.1
367.22720	49.2
385.23718	43.9
403.24777	10.0
405.24060	4.2
405.31412	13.5
423.32870	28.0
441.33829	76.1
459.27319	100.0
459.34387	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3471
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
52.95618	0.9
55.05507	4.2
56.33667	1.1
57.07080	1.0
57.34178	1.1
59.33295	1.0
67.05509	6.7
69.07070	6.2
69.73799	5.3
77.46196	1.0
79.05492	4.2
81.07069	10.2
83.08620	2.7
90.48646	1.1
91.05507	5.2
93.07047	9.1
95.04949	1.2
95.08617	23.1
97.06561	2.0
99.08097	8.0
105.07044	11.4
107.08612	16.9
109.06509	2.9
109.10172	15.5
111.08085	8.4
117.07021	2.5
119.08598	30.2
121.06512	1.5
121.10153	17.6
123.08066	2.0
123.11743	5.3
131.08597	5.9
133.10147	23.8
135.08060	4.4
135.11716	4.5
137.09628	4.2
143.08611	5.3
145.10144	12.5
147.08046	7.6
147.11641	7.3
149.09624	2.8
149.13280	3.8
151.11209	4.8
156.09309	1.3
157.10150	4.3
159.11713	14.3
161.09610	3.4
161.13268	8.9
163.11246	7.5
163.14813	3.7
171.11783	5.5
173.09766	1.2
173.13290	6.6
175.11220	2.7
175.14842	8.3
177.12750	1.4
177.16364	4.4
179.14314	1.3
183.11671	2.3
185.13306	4.6
187.14871	12.3
189.12755	6.2
189.16394	4.9
191.14314	1.6
197.13348	2.0
199.14809	7.8
201.16393	4.5
203.14330	8.3
205.15926	12.5
213.16365	3.0
215.18008	1.7
217.15897	20.8
219.17438	2.8
227.18045	1.6
235.16965	9.5
245.18900	2.2
258.28827	1.0
273.22348	1.5
278.03775	1.2
285.22137	1.5
311.23608	1.1
320.28723	1.1
387.30435	2.3
405.31619	22.6
423.27484	2.0
423.32666	21.5
434.65622	1.1
441.33701	100.0
442.33905	3.7
459.34753	23.5
459.64127	1.2
460.35199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3472
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
55.05509	7.9
67.05495	8.3
69.07063	11.8
69.55401	10.0
69.55805	4.3
73.22630	2.3
79.05491	17.2
81.07057	33.7
83.08621	5.3
85.06548	3.7
91.05485	19.0
93.07050	25.5
95.08613	33.5
97.06522	3.7
97.25968	2.2
98.21527	3.1
99.08099	18.6
103.05449	2.8
105.07042	62.9
107.08601	33.6
109.06536	9.6
109.10164	29.7
111.08108	2.5
113.09658	2.5
117.07000	4.0
119.04944	2.2
119.08597	45.0
121.06468	2.7
121.10153	35.8
123.08071	7.1
123.11709	8.6
123.28055	2.0
125.06026	3.4
125.09647	2.6
131.08589	16.3
133.06520	17.2
133.10153	39.7
135.08078	6.2
135.11690	12.2
137.05988	2.7
137.09560	3.0
143.08595	4.5
145.10133	37.0
147.08086	10.1
147.11700	20.4
149.09628	7.0
149.13287	8.5
151.07582	11.8
151.11232	5.1
157.10147	7.4
159.11729	12.1
161.09624	5.8
161.13293	13.3
163.11218	9.3
163.14819	14.4
169.10164	4.3
171.11696	5.1
173.13280	8.5
175.14841	25.1
177.16400	12.5
183.11633	5.2
185.13292	9.7
187.11183	2.5
187.14854	40.2
189.16406	4.5
191.14240	2.7
193.15938	7.8
199.14879	8.0
201.16357	4.7
203.14331	45.6
205.15898	38.8
213.16396	4.6
217.15903	2.9
219.17430	3.2
221.15388	28.2
223.16942	53.4
239.16449	3.2
259.20856	2.4
271.35080	2.3
347.04117	2.3
383.41574	2.5
405.31561	8.6
423.32663	14.1
441.27948	4.0
441.33661	47.1
459.34714	100.0
460.35156	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	459.3472
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03928	2.6
55.05513	4.8
57.52157	2.0
59.99041	2.4
62.66317	2.0
65.24847	1.8
67.05499	7.9
69.07066	9.7
69.51070	7.9
69.51499	6.3
75.08749	1.8
79.05499	12.5
80.20480	2.2
81.07055	18.4
83.05011	2.4
83.08602	3.4
85.06557	2.5
91.05481	11.3
92.24519	2.0
93.07048	26.6
95.04988	1.9
95.08614	27.2
97.06551	2.7
99.08098	16.1
105.07040	76.7
107.08599	49.5
109.06548	4.8
109.10172	28.6
111.08097	2.4
117.07016	5.1
119.08585	48.9
119.09383	3.6
121.06496	3.4
121.10162	36.8
123.08057	4.4
123.11713	7.4
129.06984	3.7
131.08577	25.8
133.06491	9.2
133.10139	35.7
135.08080	5.9
135.11697	11.1
137.13300	2.9
143.08618	11.0
145.10146	36.6
147.08020	3.6
147.11667	24.0
149.09621	6.2
149.13269	11.0
151.11139	3.3
155.08606	3.4
157.10141	15.0
158.11021	2.8
159.11699	21.2
161.09651	3.5
161.13283	16.1
163.11168	5.3
163.14841	9.1
169.10197	3.2
170.71649	2.2
171.11719	5.9
173.13280	22.1
175.14832	22.0
177.12733	3.6
177.16431	11.1
183.11699	5.8
185.13272	19.0
187.14845	33.7
189.16403	10.9
191.14325	3.5
193.15869	4.0
197.13280	4.5
199.14819	21.5
201.16415	8.1
203.14326	36.5
205.15884	40.0
207.17451	5.2
211.14894	4.9
213.16455	9.5
215.18044	4.5
217.15855	9.3
219.17552	2.6
221.13316	3.1
221.15352	14.8
223.14984	1.9
223.16942	37.9
227.17957	2.9
231.17360	4.2
235.16978	2.3
237.16312	2.4
239.18045	2.5
243.17601	2.3
251.17931	2.8
253.19556	2.4
333.25693	2.4
351.26514	2.9
387.30634	3.5
393.31604	2.8
405.31540	23.5
423.32574	27.6
441.33652	100.0
459.34732	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3472
Annotation	CHEBI:67907
Peak:m/z	Relative Intensity
55.01874	4.3
55.05505	15.7
55.16946	3.1
64.00065	3.0
65.03944	3.9
67.05508	22.8
67.14396	3.1
68.38429	3.1
68.96974	3.6
69.03462	3.3
69.07076	14.0
69.38583	8.5
69.39005	19.1
72.07088	3.5
79.05507	21.5
81.07060	46.4
81.84587	3.1
83.04991	3.6
83.08624	11.1
85.06555	6.3
91.05492	28.9
93.07047	43.7
95.08612	50.8
97.06555	8.2
97.10168	6.1
98.20744	7.0
99.08096	100.0
105.07038	58.2
107.08593	59.0
109.06553	6.3
109.10163	43.4
109.37746	3.5
111.08083	10.9
117.07023	6.1
119.08592	71.4
121.10145	51.4
123.08080	7.8
123.11698	18.3
125.09646	12.0
127.07566	37.7
129.07024	5.7
131.08575	29.7
133.10139	53.5
135.08080	12.7
135.11685	24.6
137.09630	5.4
143.08586	15.6
145.10146	44.3
147.08046	6.2
147.11703	34.2
149.09622	10.2
149.13271	12.0
151.11195	9.8
155.08580	7.8
156.09398	4.8
157.10120	22.9
159.11693	40.4
161.09679	9.9
161.13289	25.4
163.11232	17.0
163.14809	15.5
165.12778	3.3
169.10117	6.5
170.10924	4.2
171.11653	18.8
173.13292	23.1
175.11232	7.6
175.14839	28.7
177.12820	4.3
177.16440	9.8
183.11693	11.1
185.13295	21.6
186.13927	4.2
187.14812	30.8
189.12833	4.6
189.16425	16.0
191.14388	6.8
191.17941	6.0
195.11676	4.1
197.13354	7.4
199.14851	15.6
201.12900	3.6
201.16397	20.1
203.14279	17.0
203.17929	5.6
205.15862	30.2
209.13281	6.3
211.14917	9.4
213.16347	13.5
215.14394	8.8
215.17943	12.4
217.15894	13.6
219.17395	7.0
221.15434	7.2
223.17012	10.4
225.16254	4.4
235.16953	8.6
243.17500	4.5
253.19543	3.7
261.74808	3.6
267.21185	4.3
301.21603	5.4
303.88132	3.6
315.23285	4.5
351.26563	4.6
369.27798	7.2
387.29031	6.4
395.33093	7.4
405.31467	29.9
406.76987	3.7
411.32462	7.4
423.32535	49.7
441.28058	4.8
441.33783	70.2
459.28006	5.9
459.34656	97.8
460.34808	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	459.347
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03939	4.7
55.05508	7.6
56.85145	3.0
67.05500	10.1
69.07050	9.3
69.48066	16.5
76.57917	3.3
79.05499	18.2
81.07068	24.8
83.08613	5.4
91.05482	10.9
91.55278	3.1
93.07052	28.6
95.08610	26.9
97.06554	5.2
99.08116	16.7
105.07043	100.0
107.08606	48.1
109.06532	6.4
109.10167	29.2
110.21410	3.5
117.06999	7.9
119.08594	43.5
121.10156	47.9
123.08068	6.4
123.11698	11.7
129.07083	4.0
131.08575	35.3
133.06505	10.1
133.10149	46.6
135.08086	6.7
135.11693	12.5
137.09615	3.4
143.08595	13.2
145.10138	37.0
147.08078	4.6
147.11713	28.3
149.09645	11.4
149.13257	11.9
151.11195	7.7
155.08705	3.1
156.09380	3.7
157.10144	15.9
159.11739	24.6
161.13283	15.7
163.11206	6.4
163.14828	12.3
169.10188	5.5
171.11674	10.7
171.94157	3.4
173.13251	25.0
175.14824	26.9
177.12770	5.4
177.16443	14.8
183.11710	5.1
185.13260	19.2
187.14844	38.9
189.16429	10.8
193.15971	4.4
197.13382	5.9
199.14804	24.6
201.16370	11.5
203.14348	31.2
205.15933	38.7
211.14812	6.9
213.16440	9.4
215.17915	4.0
217.15874	8.4
218.81377	3.9
221.15346	13.6
223.16931	47.7
229.15907	3.7
231.17447	8.7
237.16389	3.6
249.27319	3.2
251.17906	3.9
283.20770	4.6
311.23764	5.0
351.26926	5.3
387.30386	6.3
405.31650	24.2
423.32556	32.1
441.33722	89.1
459.28619	5.5
459.34763	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	459.347
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
52.97912	3.2
55.05507	10.2
57.07059	5.5
67.05492	16.2
69.07055	14.3
69.07389	3.0
69.55830	13.2
69.56248	8.6
79.05495	24.0
81.07054	37.1
83.04996	3.6
83.08620	8.2
91.05479	26.6
93.07041	34.8
95.04974	3.9
95.08613	39.1
96.89806	2.8
97.06516	8.6
99.08091	14.1
105.07031	96.8
105.07702	6.7
107.04941	7.6
107.08599	53.7
109.06522	11.0
109.10158	43.9
110.28649	3.1
111.08099	4.4
115.05450	3.4
117.06990	9.2
119.08587	63.0
121.06492	4.8
121.10155	60.7
122.14327	3.3
123.08080	9.1
123.11711	9.9
125.09644	4.5
128.06233	4.1
129.06987	5.7
131.08580	22.8
133.06511	26.4
133.10133	59.4
135.08098	8.1
135.11703	16.0
137.09656	5.9
139.11217	7.6
143.08568	9.3
145.10117	56.5
147.08032	13.8
147.11668	22.1
149.09601	7.7
149.13239	14.6
151.07552	12.1
151.11148	7.1
156.09261	3.8
157.10159	12.5
159.11700	20.6
161.09666	6.0
161.13295	15.6
161.73093	3.6
163.11217	9.8
163.14896	20.9
169.10107	5.9
171.11658	8.9
173.13280	14.5
175.11290	3.3
175.14801	34.9
177.12772	4.0
177.16426	17.5
183.11775	4.5
185.13292	13.0
187.14810	54.9
189.16435	5.2
193.15901	13.6
197.13211	5.2
199.14754	8.9
201.12682	3.6
201.16353	5.8
203.14326	69.2
205.15877	65.5
211.14844	5.6
213.16425	3.6
215.17946	3.1
217.15872	5.7
221.15390	39.8
223.16924	67.8
282.69812	3.5
320.69864	3.5
405.31534	9.9
423.32877	20.4
441.33749	64.2
459.34811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3472
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
55.05509	8.8
60.62390	2.9
61.61127	3.0
67.05502	11.7
69.07069	10.7
70.62675	6.0
70.63025	6.3
75.30119	3.2
79.05500	17.5
81.03432	15.0
81.07063	22.2
83.08618	8.0
91.05482	18.6
93.07045	26.4
95.04980	7.2
95.08613	27.0
97.10145	3.4
99.08119	17.5
101.88228	2.9
105.07038	100.0
107.08608	43.6
109.06528	5.5
109.10174	24.4
111.08066	5.8
117.07050	7.4
119.08592	50.8
121.06499	6.8
121.10163	31.0
123.08063	6.3
123.11732	6.9
125.13915	3.6
129.07001	9.8
129.07852	3.2
130.07722	3.6
131.08580	29.6
133.06494	13.4
133.10147	39.4
134.33882	3.2
135.08060	4.7
135.11699	11.9
142.07872	3.1
143.08583	12.8
145.10144	31.1
147.11699	23.7
149.09605	9.3
149.13306	7.9
156.09401	4.6
157.10114	11.7
159.11719	19.4
161.09561	5.3
161.13248	12.5
163.11240	5.7
163.14836	11.1
169.10233	5.0
171.11696	6.9
173.13284	23.3
175.14795	25.0
177.16397	6.5
183.11650	3.9
185.13280	22.7
187.14806	36.1
189.16399	13.3
191.14320	4.6
193.12152	3.9
199.14867	13.6
201.16454	7.1
203.14330	34.5
205.15884	32.3
209.13420	3.2
211.14874	5.1
213.16374	4.3
217.15836	9.4
221.15340	16.4
223.16913	36.7
229.15869	4.6
243.17519	3.9
351.26804	3.1
393.31598	4.8
405.31573	19.2
417.46246	3.1
423.32819	22.2
441.27838	5.1
441.33713	72.4
459.28326	4.9
459.34750	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	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
53.45119	1.5
55.01873	9.0
55.05511	28.8
57.03429	6.9
59.33164	1.4
63.37474	1.6
65.03931	1.8
67.05506	37.5
69.03446	3.8
69.07070	11.8
71.05000	3.5
79.05499	42.3
81.03423	79.4
81.06596	2.5
81.07058	34.3
81.83339	1.5
83.04980	9.6
83.08621	26.1
85.06533	4.1
91.05486	34.3
93.07045	25.2
95.04976	25.7
95.08605	22.8
97.02857	2.0
97.06524	5.3
97.10170	13.6
98.19176	1.7
99.08083	3.5
103.37302	1.6
105.07045	29.2
107.04965	21.0
107.08604	19.9
109.06518	6.6
109.10149	12.1
111.04436	2.6
111.08094	9.1
115.05456	2.2
117.07013	12.6
119.04941	1.9
119.08596	24.2
121.06520	12.0
121.10166	11.6
123.04467	4.0
123.08076	5.4
123.11764	3.1
125.09624	11.7
127.07465	1.5
128.06200	3.7
129.07002	20.4
131.04919	6.5
131.08560	20.2
133.06487	10.3
133.10147	11.9
135.08064	5.6
135.11665	4.3
137.06000	2.0
137.09644	3.6
141.06982	4.5
142.07770	2.8
143.08575	9.4
145.06487	25.2
145.10118	11.2
147.04449	2.2
147.08101	7.7
147.11668	13.1
149.09636	7.3
149.13260	2.1
151.07628	1.8
153.09055	4.0
155.08563	6.8
157.06468	6.6
157.10165	15.6
159.04546	1.5
159.08069	6.7
159.11650	5.1
161.05986	4.6
161.09604	5.2
161.13252	3.8
163.11208	2.9
163.14935	1.7
165.12753	2.3
167.08620	3.4
169.06496	2.4
169.10149	5.3
171.08052	8.2
171.11699	6.6
173.09636	2.9
173.13290	3.9
175.11195	12.3
177.12798	3.7
177.16338	2.1
181.10149	3.5
183.08061	3.5
183.11647	3.3
185.09665	3.5
185.13232	5.7
187.11185	4.3
187.14775	5.1
189.11220	5.8
189.12775	3.1
189.16333	3.2
191.14256	2.3
193.10472	2.8
193.12238	47.7
195.11694	6.2
197.13260	5.1
198.13792	1.8
199.11212	3.4
199.14890	3.2
201.12782	2.1
203.14185	2.8
205.15817	2.4
207.11650	2.5
209.13263	2.1
211.11258	2.3
213.12891	2.7
213.16432	1.7
215.14284	4.7
217.12285	2.2
225.12720	2.3
227.14310	2.5
231.13834	3.0
233.15465	4.0
237.12808	3.7
245.15298	1.9
249.14963	3.8
255.13742	8.5
257.15381	3.2
269.14899	1.5
271.16812	1.8
273.14832	20.9
299.16223	2.0
339.23224	8.3
349.21628	21.8
349.25626	2.5
357.24316	3.3
367.22717	42.4
385.23663	40.3
396.33530	1.8
403.24905	11.7
423.32962	2.9
441.26520	5.1
441.33640	5.0
442.16843	1.7
459.27380	100.0
459.34280	10.7
460.28015	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.4
55.01880	8.2
55.05515	34.5
57.03426	6.4
57.07069	1.4
57.62674	1.5
65.03930	3.9
67.05511	49.6
69.03425	4.9
69.07064	14.1
69.54103	1.3
71.04977	3.3
71.09312	1.4
71.23875	3.7
71.90261	1.3
77.03880	1.9
79.05496	48.7
81.03421	88.4
81.07057	40.5
83.04991	11.2
83.08624	26.1
85.06535	2.2
91.05487	56.5
93.06487	2.5
93.07044	37.1
94.87283	1.3
95.04380	2.2
95.04973	33.0
95.08608	25.1
97.02876	3.5
97.06522	5.6
97.10179	19.7
99.08083	6.4
103.05476	2.9
105.07036	46.6
107.04957	24.6
107.08595	21.7
109.06535	8.5
109.10165	14.4
111.04443	3.4
111.08070	10.1
115.05450	4.2
117.07005	15.2
119.04911	2.5
119.08585	34.2
120.08929	1.9
121.06525	11.9
121.10145	12.4
123.04416	2.3
123.08063	6.5
123.11668	3.1
125.09631	11.2
128.06192	5.0
129.07004	23.1
131.04907	6.2
131.08571	22.7
133.06549	11.6
133.10133	25.7
135.08032	6.0
135.11697	4.8
137.05943	2.1
137.09605	5.3
139.11148	1.9
141.07002	4.3
142.07747	6.6
143.08601	8.6
145.06487	21.8
145.10115	13.9
146.07127	1.7
147.04390	3.2
147.08058	11.3
147.11711	19.0
149.09601	7.9
151.07530	5.6
151.11226	2.0
153.09094	4.1
153.12779	2.1
155.08583	6.2
157.06464	4.2
157.10135	19.1
159.08066	5.9
159.11694	8.7
161.05942	2.1
161.09613	4.8
161.13271	2.6
163.11194	5.6
165.07018	2.8
165.09093	1.9
165.12724	2.3
167.08521	3.0
169.10088	6.8
171.08034	5.6
171.10326	2.2
171.11604	8.0
173.09598	2.8
173.13271	4.4
175.11166	15.1
175.14693	1.5
177.12823	1.7
179.14319	1.4
181.10150	3.6
183.11644	4.2
185.09631	2.4
185.13228	6.8
187.11159	2.6
187.14815	5.3
189.09177	1.8
189.11201	5.6
189.12656	2.6
191.14384	2.2
193.10413	3.2
193.12241	51.6
195.11682	4.3
197.13348	8.0
199.11168	3.9
199.14774	2.6
201.12762	2.8
203.14304	1.8
205.15862	4.4
209.13324	2.6
211.13121	2.2
213.12717	3.5
215.14383	3.7
217.12294	1.6
227.14340	3.2
231.13846	2.5
233.15364	5.5
237.12737	3.4
249.14908	3.8
255.13834	4.6
267.15744	2.0
271.16879	2.5
273.14893	14.3
283.17004	1.7
287.16528	2.2
291.16006	1.8
331.20367	2.3
339.23199	7.3
345.67105	1.7
349.21686	14.0
357.24216	4.6
367.22693	34.7
385.23746	36.7
395.29407	1.7
403.24713	9.5
441.26230	4.9
441.34482	2.1
459.27362	100.0
459.33792	8.4
460.27829	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78171	0.6
60.17220	0.6
67.05499	1.4
69.81624	3.7
79.05496	0.7
91.05483	1.0
95.08598	0.6
105.07046	1.0
107.04902	0.8
107.08588	0.9
109.10177	0.7
119.08577	1.3
121.10151	1.1
127.03945	0.9
131.08597	0.9
133.10132	0.9
135.11699	0.6
137.05995	2.3
137.09586	0.9
138.10922	0.6
147.04364	0.9
203.06834	1.2
215.06883	0.7
217.04796	3.8
232.07072	45.1
233.07632	2.0
235.01810	0.7
245.07892	1.3
249.07425	0.9
428.14252	0.9
459.16293	100.0
460.16589	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06581	1.1
71.04989	0.8
71.49207	1.2
72.08142	3.7
73.08507	0.9
73.87120	0.6
79.05473	0.6
81.07059	1.1
86.04990	0.7
93.07062	1.0
94.21093	0.6
98.55423	0.6
105.07036	0.8
107.08485	0.6
135.11713	0.7
147.04448	0.8
177.74608	0.6
179.42381	0.6
193.12035	1.6
195.13551	1.0
203.05264	2.0
211.13046	3.6
217.84248	0.8
227.05305	1.2
243.04865	1.9
243.36729	0.6
245.06329	3.2
253.12819	0.7
271.04330	1.3
284.16269	1.0
285.16440	0.7
287.03732	13.6
289.05304	21.3
373.18484	1.7
415.19418	13.9
442.77499	0.6
459.18405	100.0
460.18805	2.8
461.08902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.4
57.07087	3.5
67.05510	19.6
69.03425	12.7
69.07051	10.7
69.56293	18.2
71.04992	5.2
71.96455	2.3
79.05482	6.3
79.27253	2.3
81.03417	7.6
81.07049	19.8
83.04984	9.6
83.08609	5.9
84.08156	4.5
85.02920	16.1
85.06540	4.1
87.00845	5.9
91.05481	3.9
93.07041	14.8
95.08607	30.0
97.02898	4.6
97.10185	2.9
99.08129	12.1
105.01875	3.6
105.07044	12.7
107.08615	26.4
109.02860	4.4
109.06536	6.2
109.10165	92.7
111.08064	3.4
119.07815	4.3
119.08587	51.9
121.10130	15.5
123.08057	10.6
123.11712	10.6
127.03896	6.2
133.10144	22.8
133.52336	2.7
135.11699	100.0
135.12729	5.0
137.09601	13.2
138.01367	2.2
145.10110	3.4
147.04356	3.6
147.11665	5.5
149.13235	5.2
151.11160	6.6
151.14813	7.8
161.09592	2.7
165.12703	3.0
175.14859	37.9
184.57538	2.3
193.14236	4.4
193.15904	60.6
193.17668	3.3
211.14943	3.9
211.16945	66.8
249.27045	2.7
459.34317	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	459.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
56.96572	12.2
57.23949	1.5
57.48054	1.6
69.03432	4.4
70.01337	2.8
70.01697	5.9
71.95303	1.6
72.93793	2.7
73.02916	2.4
81.03420	3.0
81.99098	2.2
85.02901	8.4
97.02890	7.8
98.97598	26.4
100.00112	3.8
101.00874	9.4
109.02872	5.8
110.97579	6.3
113.00877	6.2
116.40552	1.6
116.98630	8.9
117.03387	2.6
118.01114	4.8
119.01937	14.3
119.04926	2.4
127.02394	4.2
127.03932	3.6
128.98624	5.1
131.00168	1.8
131.01920	9.3
133.03474	2.4
133.06441	2.1
134.96101	1.6
135.04413	5.1
137.05994	35.9
142.01099	6.5
143.00182	2.9
143.01889	14.5
143.03394	2.1
145.03462	9.5
145.04976	1.9
146.99707	2.4
147.04366	9.2
153.01859	29.6
153.03015	3.7
155.01892	10.1
156.02679	8.6
157.03514	3.5
158.99637	10.5
160.02211	4.7
161.01627	2.1
161.02992	16.5
163.03897	20.1
168.02692	4.8
169.03482	5.0
170.99666	4.9
173.01299	1.7
173.02924	8.5
174.03717	1.8
177.00731	6.8
177.03996	5.2
178.01016	4.7
179.02000	2.0
179.28014	1.9
181.03517	8.4
184.02182	3.4
185.02992	3.3
186.03685	3.8
189.00742	4.9
193.03479	2.3
194.04166	1.9
195.05029	18.6
196.02147	12.6
197.02921	4.7
201.00710	3.3
203.03996	7.8
205.03496	4.1
213.00737	2.9
218.04247	4.8
219.01802	9.1
219.05037	30.6
220.16734	1.7
221.03020	3.7
221.05046	12.6
222.03813	6.2
223.01128	2.3
223.04526	4.9
224.94901	4.3
226.03247	3.6
231.05067	6.9
233.06671	3.2
236.05380	5.0
237.02869	13.8
237.06143	26.5
241.03499	2.6
242.95880	4.4
244.04312	100.0
245.04784	3.2
246.03802	6.4
247.04619	11.7
249.02820	2.1
249.06055	7.2
255.03824	4.2
259.04565	7.7
261.06076	19.7
262.05283	8.0
264.04861	15.2
265.05301	3.0
267.07175	2.1
267.42850	1.8
273.05893	2.6
278.01312	1.9
279.00516	3.8
279.03851	14.7
279.07123	21.6
291.07141	6.3
297.04828	5.3
297.08304	4.9
300.04904	3.0
307.06628	17.0
309.08203	7.5
315.07098	3.4
320.07523	3.3
321.04932	2.4
321.08240	21.4
323.09842	1.9
331.06534	2.4
336.06879	5.0
339.09158	3.3
348.06915	64.8
349.07513	5.8
351.09305	5.6
363.09253	40.3
366.07782	10.1
369.10156	2.8
381.10339	91.1
398.99927	7.0
399.11453	60.1
417.07040	2.0
417.12524	3.8
422.13251	2.9
441.07834	2.6
459.13870	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	459.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01871	1.5
55.05503	3.1
57.03431	1.0
57.07060	1.1
57.45345	0.8
65.03946	6.0
67.05510	3.9
69.03441	3.9
69.07060	3.4
71.01370	1.2
71.04987	1.0
71.49721	0.7
71.50104	1.1
79.05493	4.2
81.03405	2.6
81.07049	7.8
83.05001	1.9
83.08612	2.1
84.18381	0.8
85.02901	1.6
85.06561	1.2
89.03439	0.8
89.03927	9.2
91.05488	13.0
93.07068	6.9
95.04955	3.0
95.08603	6.6
96.08902	0.8
97.02917	2.0
97.06525	1.8
97.10201	0.9
99.04461	1.3
99.08096	2.0
102.74668	0.8
103.05467	0.8
105.07044	7.5
106.07382	0.9
107.04946	1.3
107.08614	7.6
108.02068	0.9
109.02901	2.3
109.06518	2.5
109.10181	4.2
111.04467	2.9
111.08079	2.1
117.03391	25.1
117.07029	2.2
119.04961	12.8
119.08605	9.0
120.08887	1.4
121.02878	95.4
121.03892	3.3
121.06518	1.6
121.10155	4.4
121.94433	0.7
122.03599	1.0
123.04431	1.7
123.08058	3.2
123.11691	2.6
125.05946	0.8
127.03899	2.0
129.07013	1.9
131.04956	1.6
131.08569	4.0
133.06516	1.1
133.10170	4.4
134.03601	1.7
135.04419	2.9
135.08057	1.9
135.11693	2.7
136.12195	0.7
137.05986	22.5
137.09579	2.5
139.03883	1.4
140.64951	0.8
141.06882	0.8
143.08542	2.1
145.02853	58.9
145.06532	1.6
145.10062	3.6
147.04420	43.4
147.08054	1.6
147.11694	7.8
149.05992	8.4
149.09575	1.4
149.13258	2.0
151.03922	32.0
151.05017	2.5
151.07526	3.5
151.11247	1.1
155.08449	0.8
157.10120	2.3
159.08101	1.0
159.11719	3.1
160.11957	0.8
161.05984	0.8
161.09676	1.4
161.13248	1.0
163.03886	5.5
163.07542	1.7
163.11185	1.8
163.14862	1.3
165.12779	2.7
167.07043	0.8
171.08116	0.9
171.11714	1.4
173.06007	1.0
173.13210	1.6
175.07535	1.5
175.11163	1.8
175.14807	3.0
177.05481	100.0
181.04890	1.5
183.11722	1.3
185.13248	2.2
186.05565	0.9
187.07607	1.9
187.14870	1.6
189.12781	0.8
193.15962	1.5
199.07675	1.2
201.05298	1.0
203.14273	1.8
205.15865	1.3
211.16951	7.9
215.07018	1.5
217.08670	1.0
218.05960	0.8
233.08224	0.8
243.06497	1.2
259.10068	0.9
261.07602	4.8
269.15305	0.8
285.07468	1.4
297.07767	4.0
297.10788	0.8
303.08325	1.0
326.42935	0.9
391.60800	0.9
404.30966	0.8
441.11884	2.8
458.33350	5.7
459.17548	1.6
459.27710	1.6
459.33997	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	458.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	4.5
69.03413	2.4
71.48729	1.8
76.82865	1.2
81.03481	1.7
84.96040	1.8
85.02910	6.1
88.11279	1.8
91.05448	2.5
93.07064	1.6
97.02875	3.5
98.34694	1.4
98.97583	3.8
103.05451	6.9
107.05005	2.5
108.14688	1.2
109.02888	1.4
116.98614	2.5
119.04932	1.9
120.08114	100.0
127.03852	1.9
129.69658	1.2
131.04910	2.5
131.07005	2.1
132.06920	1.2
143.77711	1.4
145.02957	1.6
147.04411	5.5
149.05928	2.0
153.01825	3.2
163.03911	5.1
165.25885	1.4
166.08650	46.4
170.99698	1.5
196.42059	1.3
201.00772	1.3
219.01633	2.2
237.02771	2.6
278.00378	1.3
296.11179	2.4
303.01352	2.2
336.06985	1.5
348.06976	2.0
370.99521	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76711	2.5
56.96553	7.9
69.50611	2.2
69.50919	20.3
71.44724	3.0
84.41875	2.5
94.93013	3.3
98.97578	75.2
104.26671	2.8
110.97570	9.3
112.89622	25.7
114.89346	16.2
116.89132	20.8
116.98645	20.7
124.99123	9.3
128.98595	5.9
140.98569	5.1
143.00117	15.1
158.99663	41.4
161.01192	3.9
170.99651	5.9
177.00670	24.8
180.51971	2.8
189.00702	7.7
201.00587	2.8
207.01817	4.0
219.01782	24.1
237.02821	95.8
255.03908	52.8
266.49884	3.1
279.03888	100.0
297.04950	54.0
309.04941	3.0
339.06107	6.9
399.01831	6.6
399.08002	12.7
459.12183	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	457.3678
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
53.03933	3.1
55.05517	14.9
57.07079	4.6
59.52669	2.6
60.30247	2.4
66.52020	2.4
67.05499	20.6
69.07082	17.5
69.45248	11.9
69.45669	7.4
77.03886	2.8
79.05494	16.2
81.07060	49.0
83.08627	11.2
85.06509	2.6
91.05481	16.5
93.07058	37.6
95.08611	100.0
97.06535	7.6
97.10176	4.8
99.08110	7.1
105.07030	31.1
107.08598	59.6
109.06484	3.0
109.10162	60.3
111.08155	3.9
113.06013	3.6
117.06976	4.6
119.08591	77.8
121.06570	2.6
121.10150	52.1
121.85402	2.6
123.08133	3.6
123.11709	27.8
124.12057	2.9
131.08592	11.9
133.10133	49.1
133.11107	3.2
133.34496	2.4
135.08116	5.6
135.11691	49.0
137.13278	15.2
137.14148	2.4
139.07559	3.2
142.07787	2.6
143.01965	2.4
143.08603	5.8
145.10141	22.1
147.08046	7.2
147.11710	35.6
149.13246	23.4
151.11166	3.0
153.09142	9.3
157.10158	8.0
158.10957	2.9
159.11699	14.0
161.09666	4.5
161.13275	30.4
163.11186	3.1
163.14848	35.7
165.09222	3.1
165.12830	2.5
169.10120	3.5
171.11751	6.1
173.13275	15.6
175.11214	4.0
175.14856	21.7
177.12816	3.1
177.16409	16.2
179.17929	3.0
183.11656	3.1
185.13225	4.5
187.11319	3.4
187.14804	17.3
189.12794	3.0
189.16397	89.2
191.14323	4.3
191.17958	67.5
192.18365	2.5
197.13336	2.8
199.14832	5.4
201.12782	5.2
201.16373	20.4
203.14389	3.8
203.17975	80.7
203.19803	5.3
205.15820	8.3
205.19504	14.4
207.17520	11.7
211.14778	2.7
213.16463	9.0
215.14304	3.0
215.18004	16.1
217.15942	2.7
217.19551	10.7
219.13820	7.2
221.19054	6.5
223.17014	6.5
227.17830	3.5
229.15947	3.1
229.19577	4.4
231.17500	5.1
231.21170	11.9
233.15578	3.9
235.16920	16.8
241.19466	4.1
245.22726	5.2
247.16985	7.2
249.18535	30.2
257.22607	3.6
259.17206	2.8
261.18521	6.8
271.24014	4.0
275.20126	4.8
393.35080	9.5
394.31461	2.8
403.30170	3.0
411.36279	45.6
421.30792	2.9
439.36478	33.0
457.32306	28.6
457.36832	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05506	10.4
67.05507	20.0
69.05731	5.1
69.07059	14.9
70.33209	5.5
70.69943	8.4
70.70277	10.0
79.05511	14.3
81.07066	35.1
83.08620	9.1
91.05496	7.5
93.07057	36.4
95.08615	76.8
95.17004	5.6
105.07040	23.4
107.08601	55.6
109.10194	38.3
119.08585	43.6
121.10143	35.2
123.11743	10.4
125.66359	5.5
131.08583	6.2
133.10152	22.7
135.11722	21.1
145.10178	7.1
147.11684	14.8
149.13286	19.3
159.11739	6.0
161.13264	14.7
163.14845	39.6
170.36694	5.5
173.13329	7.3
175.14867	19.7
177.16280	10.0
187.14851	12.4
189.16379	26.4
191.18015	23.7
201.16588	6.4
203.17947	36.3
207.17642	6.6
217.19464	8.1
231.21095	6.3
270.73993	5.4
297.25818	10.0
393.35104	8.6
411.36292	100.0
412.36551	6.4
439.36105	8.2
457.32498	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	457.368
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.99609	1.9
53.03963	2.5
55.05516	16.6
57.07051	2.3
65.30381	2.1
67.05506	19.4
69.07067	19.5
79.05505	12.3
81.03355	2.7
81.07059	45.2
83.05005	2.7
83.08649	12.5
91.05486	13.0
93.07053	33.2
95.08614	88.6
97.06525	3.3
97.10168	3.8
98.20752	6.0
99.08102	3.6
105.07035	32.9
107.08607	60.3
109.10162	54.4
111.08086	4.9
111.11752	2.7
117.07034	2.1
119.08588	59.5
121.10151	56.5
123.11710	22.2
125.09660	3.4
131.08583	8.8
133.10144	46.4
135.11703	49.9
137.13251	6.0
143.08568	3.4
145.10149	13.3
147.11699	45.1
149.09673	3.2
149.13254	22.7
153.09114	9.8
157.10120	4.5
159.11725	11.6
161.13271	25.7
163.14841	35.1
171.11693	3.1
173.13303	10.4
175.14822	23.6
177.16461	14.1
179.10699	2.5
179.14320	2.2
185.13326	2.8
187.14804	15.6
189.16399	93.9
191.17963	87.8
193.15829	2.4
201.16333	17.6
203.17970	100.0
204.18414	3.1
205.15898	2.9
205.19508	16.0
207.13962	2.4
207.17551	5.0
213.16351	2.8
215.17972	9.3
217.19508	16.2
219.13857	2.5
221.15442	3.8
221.19049	8.3
223.16891	3.2
229.19565	6.7
231.17419	3.7
231.21043	13.9
235.16946	20.3
245.22563	2.6
247.16966	8.7
249.18503	37.7
257.22650	3.5
271.24423	2.7
275.20233	2.8
277.21796	2.4
338.80869	2.5
353.07764	2.3
385.26782	2.6
393.35278	12.7
411.36288	64.3
439.36115	46.5
457.37222	96.5
458.36899	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	457.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57497	1.6
54.01779	1.6
55.05503	10.4
57.07077	2.8
64.53033	1.4
67.05499	10.0
69.07071	14.4
71.50545	1.4
79.05494	10.2
81.07056	21.5
83.08613	9.6
85.06522	1.8
91.05476	8.8
93.07046	25.5
95.04984	1.9
95.08612	47.4
97.06539	2.0
97.10172	5.2
99.08098	1.9
105.07031	20.0
107.08591	39.7
107.09318	2.8
109.06483	2.8
109.10156	28.7
111.08097	2.8
112.46509	1.5
117.07003	2.4
119.08587	41.3
121.10149	43.4
123.08082	1.8
123.11712	10.7
125.09624	2.1
131.08565	6.2
133.10136	46.1
135.08070	2.6
135.11694	22.8
137.09590	1.6
137.13255	3.2
142.07719	1.5
143.08577	3.3
145.10097	8.4
147.08060	2.7
147.11694	24.3
149.06097	1.5
149.09480	1.7
149.13289	13.8
151.11198	2.3
153.09131	4.5
156.09389	1.8
157.10150	5.5
159.08119	2.0
159.11665	10.0
161.13243	11.6
163.14827	10.0
167.10793	3.5
169.10123	2.3
171.11615	2.3
173.13254	5.3
174.13867	1.9
175.14839	8.9
177.16374	4.3
183.11745	2.8
185.13326	2.3
187.14841	5.9
189.16383	25.4
191.17955	100.0
192.18448	1.9
197.13322	3.0
201.12737	3.3
201.16414	4.7
203.17966	70.5
204.18318	2.4
205.15909	3.9
205.19527	16.1
207.17459	30.5
210.53867	1.5
213.16290	2.5
215.14407	1.6
215.17856	1.7
217.19476	2.1
219.13773	2.3
219.17406	1.9
221.19020	2.6
223.14761	2.2
231.17363	3.3
249.18507	33.7
315.45358	1.6
393.35474	2.1
411.36276	4.4
421.30920	2.9
439.31540	6.6
439.35834	8.1
457.32870	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	457.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34835	3.2
53.03949	7.0
55.05511	23.5
57.07072	5.7
66.45740	3.7
67.05513	33.4
69.07075	23.6
69.66648	14.9
69.67052	6.4
77.60802	3.2
79.05503	26.9
80.99869	3.4
81.07056	64.3
83.08630	14.3
91.05488	33.9
91.20232	3.3
93.07051	73.1
95.05000	5.6
95.08617	100.0
97.06576	4.3
97.10161	10.3
98.21423	8.9
99.08092	6.6
105.07032	57.7
107.08604	87.9
109.06504	4.8
109.10172	58.3
111.08126	6.8
117.07066	9.0
119.08598	86.3
121.06522	4.0
121.10159	71.3
123.08097	5.7
123.11737	31.4
125.09650	5.0
128.06210	3.9
129.07007	6.8
131.08565	33.4
133.10133	55.5
135.08061	9.4
135.11699	49.5
137.09604	5.5
137.13226	8.2
143.08566	16.6
145.10139	42.2
147.08122	3.5
147.11697	41.1
149.09660	9.6
149.13278	30.5
151.11212	6.0
157.10165	28.4
159.11662	36.5
161.09689	5.4
161.13277	33.4
163.11151	7.7
163.14830	32.7
169.10187	5.6
171.11684	20.7
173.09741	4.3
173.13280	33.0
175.14827	21.1
177.12885	5.7
177.16423	13.0
179.14417	6.9
183.11713	8.7
185.13283	16.0
187.14848	28.6
189.12830	5.9
189.16434	34.0
191.14392	10.9
191.17969	75.2
197.13301	5.5
199.14909	20.8
201.12762	7.2
201.16414	17.4
203.14304	13.4
203.17987	32.2
205.15948	11.7
207.13690	5.4
207.17409	7.7
213.16431	20.3
215.14412	6.6
215.18008	8.8
217.15910	11.4
217.19472	11.0
221.18970	3.8
225.16345	5.0
225.18698	4.6
227.18109	4.7
229.19481	5.2
231.17433	15.4
231.20978	7.6
235.16975	6.6
239.17946	4.8
243.17519	4.7
249.18533	6.0
267.21277	3.6
337.37805	3.9
360.96613	4.3
393.35175	7.4
403.33887	5.7
411.36310	9.6
421.31165	6.4
421.34995	52.5
422.35352	5.0
439.36530	42.9
441.75903	4.3
457.32776	73.1
458.34143	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	457.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
54.45480	2.3
55.05516	17.6
57.07083	12.0
65.03950	3.1
66.25312	2.4
67.05502	24.1
69.07072	19.8
69.32107	18.9
69.32503	4.0
79.05489	15.4
81.07059	59.4
83.08633	13.0
85.04589	2.0
85.06544	3.9
91.05473	17.2
93.07042	28.8
95.05034	3.9
95.08611	100.0
96.49224	2.4
97.06538	5.2
97.10166	4.2
99.08080	17.6
103.05461	2.4
105.07037	43.0
107.08600	57.0
109.06551	3.3
109.10163	58.2
111.08076	2.9
113.05998	4.5
117.07023	8.6
119.08589	60.4
121.06489	3.6
121.10157	43.6
123.08076	3.1
123.11713	38.0
125.09653	4.4
127.07574	6.9
129.06979	4.6
131.04956	5.9
131.08565	26.4
133.10147	35.3
135.08066	4.6
135.11699	23.4
137.09538	2.5
137.13263	33.2
142.07768	3.2
143.08565	8.1
145.10139	32.9
147.08031	11.1
147.11685	31.0
149.05968	14.6
149.09651	4.3
149.13281	15.8
151.11201	4.0
155.08524	3.1
157.10138	9.8
159.11674	19.6
161.09613	4.0
161.13229	20.5
163.11165	4.5
163.14790	19.0
168.88554	2.3
169.10123	3.9
171.11714	10.2
173.09570	2.7
173.13254	30.4
175.11246	4.7
175.14828	16.2
177.12811	4.1
177.16466	13.3
179.18005	12.6
181.10132	3.7
183.11732	7.3
185.13312	8.5
187.14819	28.2
189.16383	35.8
191.17940	26.4
195.11700	4.0
197.13318	8.8
199.14873	6.5
201.12842	7.9
201.16383	12.8
203.14314	6.7
203.17989	29.9
205.15895	32.2
205.19540	6.4
207.17458	4.6
211.14929	5.6
213.16455	18.1
215.14543	3.2
215.17973	29.0
217.15936	4.9
217.19592	8.9
219.13795	27.3
221.15302	3.0
223.14934	3.8
223.16939	21.9
231.17526	5.2
231.21085	7.7
235.16965	5.5
239.18283	2.8
247.16954	4.9
249.18532	14.6
253.19656	5.0
255.21208	3.3
259.16934	8.1
261.18491	23.0
269.22681	3.2
275.20209	2.9
297.22266	2.7
300.28751	2.7
385.27478	4.0
393.35635	13.1
403.30017	6.6
411.36392	17.4
421.30838	17.3
439.31622	11.8
439.35898	16.4
457.32419	53.4
458.33322	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	457.3315
Annotation	3-Dehydro-15-deoxoeucosterol
Peak:m/z	Relative Intensity
55.01870	1.2
55.05510	1.6
57.07066	1.4
59.04940	1.3
67.05494	3.2
67.77888	1.2
69.07069	5.2
71.01113	2.6
79.05488	4.0
81.07052	8.0
83.04968	2.4
85.06551	1.3
87.35028	1.0
91.05466	6.0
93.07049	9.5
95.08615	12.6
97.06546	2.7
99.08098	11.4
101.39511	1.2
105.07036	14.8
107.08595	16.3
109.06519	2.3
109.10174	11.5
117.07043	2.8
119.08591	18.4
121.06502	1.5
121.10152	14.5
123.11703	3.6
127.07555	3.2
129.07043	1.5
130.07866	1.2
131.08574	9.5
133.06519	2.3
133.10138	16.6
135.08070	4.0
135.11691	6.2
141.06982	1.5
143.08569	5.0
145.10146	13.7
147.07993	2.5
147.11667	7.7
149.06046	1.8
149.09618	3.3
149.13240	1.9
151.11172	2.5
155.08600	2.3
156.09354	2.0
157.10159	5.8
159.08076	3.3
159.11707	11.5
161.09624	6.5
161.13249	4.4
163.11201	2.2
163.14859	3.6
169.10164	4.0
171.11734	5.3
173.09572	1.7
173.13293	8.1
175.11177	3.3
175.14873	2.3
177.12828	2.7
177.16432	2.8
181.10097	1.3
183.11749	3.8
185.13280	5.1
187.11284	1.5
187.14822	10.6
189.16399	7.5
195.11703	1.4
197.13324	4.5
199.14876	3.4
201.12804	10.2
201.16444	3.2
203.14299	2.8
205.15953	8.5
211.14827	2.8
213.12674	1.2
215.14394	4.7
217.15913	2.7
219.13814	6.1
223.15022	1.6
223.17009	5.3
225.16484	1.4
229.15840	1.7
233.15352	2.6
241.15935	1.4
255.17476	2.2
267.17426	1.5
269.19006	2.9
291.21234	1.3
349.25287	3.8
367.26254	3.0
376.85107	1.2
385.27432	3.8
403.29965	4.7
421.31058	9.7
439.32028	20.2
440.32748	1.4
457.33185	100.0
458.33572	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	457.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.3
54.09921	5.0
55.01866	3.7
55.05507	14.5
57.07071	6.8
67.05524	19.3
69.03424	10.3
69.07060	12.1
70.43990	3.4
71.04995	3.6
79.05486	32.0
81.03416	5.9
81.07056	43.6
83.08618	9.1
85.02888	8.4
85.06524	4.6
87.00842	5.5
91.05492	46.2
91.06047	5.7
93.07041	72.8
95.04977	9.5
95.08604	43.9
97.02898	4.8
97.06537	7.5
99.08089	35.5
105.07033	82.5
105.80227	3.7
107.07887	5.7
107.08598	95.7
108.72388	3.6
108.83569	3.7
109.02901	4.7
109.06526	10.6
109.10152	24.7
111.08086	9.0
117.07019	13.0
119.08580	100.0
120.25317	3.9
121.06531	8.9
121.10123	56.3
123.08051	12.6
123.11701	7.9
128.06206	8.5
129.07001	16.3
131.08566	69.9
133.10118	69.7
135.08008	11.1
135.11707	21.6
137.09628	21.9
142.07803	11.0
143.08560	39.3
144.09363	5.4
145.10118	61.9
147.04388	3.9
147.08047	6.9
147.11688	77.4
149.09605	12.5
149.13257	11.8
151.11174	15.0
155.08560	8.4
156.09351	10.1
157.10127	44.8
158.11005	6.7
159.11711	59.2
161.09631	11.8
161.13232	34.7
163.11201	8.0
163.14801	7.0
165.12761	23.9
168.09396	6.7
169.10074	19.5
170.10883	8.8
171.11696	33.9
173.13266	47.8
175.11238	10.6
175.14760	18.2
177.12735	7.6
179.14392	4.3
181.10109	7.0
182.10994	5.1
183.11710	30.0
185.13240	31.8
187.14844	39.8
189.12796	10.2
189.16335	5.2
191.14354	15.3
195.11665	8.4
197.13220	24.6
199.14793	41.8
201.12645	4.0
201.16397	37.8
203.14337	32.7
203.18013	4.4
205.15738	4.7
209.13350	3.7
209.15341	56.8
211.14766	17.0
213.12759	6.8
213.16391	16.9
215.14345	7.2
217.15802	9.1
219.17389	6.8
221.13419	6.7
221.15213	19.0
223.14809	5.5
225.16405	8.0
227.17879	5.0
229.15857	6.5
231.17427	4.9
233.19135	4.8
237.16322	8.3
251.17863	5.7
253.19559	14.5
255.17407	4.9
257.19025	5.7
263.17917	5.7
271.20569	14.9
273.21918	5.0
281.18881	8.6
285.22171	6.6
295.20697	4.4
299.20035	30.7
309.22095	3.7
317.21036	9.1
331.24084	4.6
349.25177	21.6
367.26288	20.4
375.26926	4.4
383.25372	5.2
385.27429	22.1
391.29907	7.3
393.31555	9.3
403.29886	24.3
409.30905	14.6
411.32379	4.9
421.30957	32.8
439.32135	36.2
457.33093	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	457.3317
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
55.05515	7.1
67.05518	13.3
69.03426	3.9
69.07075	10.4
69.34598	23.3
79.05498	12.9
81.07066	27.9
83.08620	5.8
83.12521	2.5
85.06559	6.0
91.05479	21.8
93.07059	33.1
95.04986	3.5
95.08618	41.8
97.06536	5.1
99.08102	40.9
105.07042	43.7
105.07689	3.3
107.08601	49.6
109.06517	4.0
109.10166	25.9
111.08089	6.9
117.07025	7.2
119.08588	45.3
121.06497	6.6
121.10159	38.2
123.08086	11.6
123.11730	10.5
127.07587	10.6
128.06203	2.8
129.07033	7.1
130.07800	4.8
131.08578	23.5
133.06525	5.2
133.10159	33.1
135.08089	10.3
135.11710	12.6
137.09596	5.6
139.11209	3.6
141.07014	3.9
143.08626	14.1
145.10149	38.7
147.08092	11.0
147.11717	19.6
149.09651	5.3
149.13268	6.8
151.11206	7.9
155.08519	3.3
156.09436	4.4
157.10107	19.8
159.11700	27.9
161.09682	5.3
161.13341	12.6
163.11267	7.6
163.14888	7.3
168.09412	3.8
169.10133	10.4
169.63161	3.0
171.11732	11.6
173.09705	4.5
173.13263	26.2
175.11241	5.9
175.14890	12.1
177.12849	5.1
177.16461	6.1
181.10196	6.3
182.10970	3.8
183.11758	12.0
183.82428	3.6
185.13217	16.2
187.11273	4.2
187.14868	19.0
189.12778	6.5
189.16373	4.2
191.14333	4.4
193.10202	3.6
195.11734	4.9
195.13675	3.0
197.13286	14.2
199.14897	11.3
201.12823	11.5
201.16451	7.3
202.80890	2.7
203.14386	12.7
205.15828	21.8
209.13333	5.8
211.14973	7.5
213.12820	4.5
213.16466	5.2
215.14374	5.7
217.15800	13.8
219.13866	11.0
223.14986	5.9
223.17030	8.6
225.16454	7.1
227.18004	6.5
233.15372	6.1
235.17087	9.4
239.17961	4.9
243.17726	2.8
251.18036	5.0
257.18863	3.1
269.19080	5.1
271.20599	4.4
283.20541	6.3
333.22394	3.1
349.25314	3.8
367.26495	4.2
385.27844	3.0
393.31586	3.9
403.30130	12.1
421.31204	30.1
439.32172	46.5
457.33289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3315
Annotation	3-Dehydro-15-deoxoeucosterol
Peak:m/z	Relative Intensity
54.98381	0.7
55.01863	2.6
55.05506	2.0
57.07065	3.2
60.45697	0.9
60.96449	0.8
67.05500	2.3
69.07055	2.5
69.89330	2.1
69.89720	1.4
77.48941	0.7
79.05496	3.3
81.07075	5.1
83.04961	1.1
83.08619	2.2
85.06543	7.5
91.05495	4.3
93.07066	7.4
95.04945	1.4
95.08614	7.9
97.06560	5.0
98.21496	1.6
99.08101	76.8
105.07035	10.1
107.08601	16.5
109.06523	2.5
109.10184	6.0
111.08102	1.9
117.07014	1.4
119.08598	10.9
121.06512	1.2
121.10151	11.0
123.11743	3.8
127.07561	51.2
128.06242	0.7
131.08557	5.2
133.10146	10.4
135.08066	3.2
135.11716	6.9
137.13277	0.9
143.08563	2.8
145.08607	2.9
145.10124	7.7
147.08086	4.4
147.11684	5.2
149.09605	4.4
149.13277	2.0
151.11169	0.9
157.08057	0.8
157.10141	1.7
159.08145	1.0
159.11694	7.2
161.09613	4.9
161.13272	4.3
162.57571	0.9
163.11172	4.3
163.14856	1.3
165.12682	1.0
169.10146	1.8
171.11702	2.3
173.09637	0.8
173.13290	4.7
175.11188	1.0
175.14864	3.4
177.12770	2.0
177.16432	1.8
183.11842	1.7
185.13249	3.7
187.11122	0.9
187.14804	2.8
189.12761	1.0
189.16389	2.4
191.17963	1.3
197.13292	1.1
199.14810	1.9
201.12764	2.9
201.16405	5.4
202.13434	0.8
203.14322	3.2
205.15904	3.5
209.13263	1.3
209.75763	0.9
211.14723	1.1
213.16429	1.3
215.14355	3.2
219.13860	1.9
219.17429	1.9
221.15350	1.6
223.17014	1.0
225.16463	1.1
233.15479	1.0
255.21104	1.3
295.24197	2.3
313.25253	2.3
349.25290	2.5
367.26306	1.9
373.27521	1.0
385.27322	8.3
403.30154	1.6
421.31189	5.6
439.32150	8.7
457.33167	100.0
458.33331	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	457.3315
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
55.01876	1.5
55.05495	4.0
57.07087	1.6
58.41455	1.1
63.83815	1.2
67.05503	5.1
69.07069	4.2
69.35547	1.1
69.45350	7.7
72.80428	1.2
74.84717	1.2
79.05497	4.5
81.07058	10.7
83.08637	1.3
88.89800	1.0
91.05481	7.0
93.07047	6.9
95.08624	12.1
97.06535	7.1
98.20737	2.1
99.08092	14.6
101.58289	1.1
104.22176	1.2
105.07040	14.6
107.08604	13.8
109.06528	1.8
109.10175	10.6
111.08080	3.4
117.07017	2.2
119.08584	19.2
121.06503	1.7
121.09359	1.3
121.10159	12.8
121.34052	1.2
122.10504	1.1
123.08074	2.5
123.11711	3.6
127.07576	3.1
131.08582	10.3
133.06476	2.7
133.10146	15.1
135.08078	4.7
135.11734	6.8
137.09583	2.8
143.08643	5.5
145.10135	13.1
147.08061	9.0
147.11717	5.7
149.05940	1.2
149.09659	5.7
149.13278	3.9
151.11206	3.7
156.09372	1.5
157.10103	6.9
158.10811	2.0
159.08162	1.7
159.11702	11.6
161.09642	4.8
161.13254	5.4
162.10379	1.4
163.11244	3.5
163.14856	2.6
169.10155	2.4
171.11710	4.0
173.09698	2.2
173.13306	10.3
175.11154	2.2
175.14821	2.6
177.12794	4.5
177.16406	3.6
181.10130	1.3
183.11687	5.7
185.13300	5.2
187.11165	2.1
187.14801	7.6
187.16302	1.1
189.12770	3.7
189.16310	2.0
191.14340	1.5
197.13290	3.5
199.14845	4.6
201.12740	13.2
201.16409	2.9
203.14362	3.6
205.15854	8.7
205.79962	1.3
213.16457	2.7
215.14308	7.3
217.15923	2.8
219.13792	13.5
219.17375	1.6
223.14998	1.5
223.16922	5.7
227.14261	1.5
229.15794	2.1
233.15448	5.3
235.17030	2.4
237.16411	1.4
237.52722	1.2
265.19391	1.4
269.19116	2.5
271.20404	1.3
349.25336	1.5
367.26633	1.5
379.21112	1.3
379.30057	3.3
385.27774	1.4
397.30911	2.2
403.30002	4.6
411.32727	1.2
421.31009	14.7
439.32104	15.5
457.33194	100.0
458.33524	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	457.3315
Annotation	3-Dehydro-15-deoxoeucosterol
Peak:m/z	Relative Intensity
54.35344	3.2
55.05512	9.5
57.07071	4.9
58.95151	3.2
67.05497	7.6
69.07078	17.7
69.32228	21.4
69.32641	6.1
75.14742	3.1
79.02310	2.9
79.05491	19.3
81.07071	28.4
83.08608	4.3
85.06543	3.5
91.05487	28.8
93.07043	28.1
95.04932	3.4
95.08601	28.9
97.06529	12.6
99.08097	40.0
103.05491	6.7
105.07041	80.5
107.08608	45.5
109.06576	4.7
109.10173	29.3
111.08080	4.5
113.05995	7.6
117.07024	12.3
119.08595	61.8
121.06528	7.0
121.10148	39.4
122.84278	3.2
123.08099	5.9
123.11699	11.2
125.05937	8.5
127.07559	11.3
129.07016	6.0
130.07790	4.1
131.04929	19.6
131.08578	48.6
133.06519	3.6
133.10138	44.7
135.08084	7.1
135.11690	13.6
137.09622	4.5
142.07744	3.6
143.08580	11.7
145.10139	72.7
147.08070	22.4
147.11685	22.8
149.05988	58.0
149.09703	4.4
149.13271	12.3
151.11218	5.5
156.09383	3.1
157.10136	12.6
157.36212	3.0
158.10855	5.1
159.08054	5.0
159.11723	21.8
161.09656	8.5
161.13254	16.2
163.11200	10.1
163.14830	19.3
165.51643	3.4
169.10130	4.5
171.11673	12.6
173.13287	42.9
175.11180	9.2
175.14871	14.7
177.12814	3.9
177.16373	19.5
183.11667	6.1
185.13248	8.4
187.14856	71.6
195.11824	4.2
197.13335	8.1
199.14775	5.6
201.12808	20.2
201.16342	4.9
203.14330	4.8
205.15894	81.1
211.14897	5.9
213.16478	4.9
215.14397	3.6
217.15906	3.8
219.13812	100.0
223.14723	5.7
223.16922	95.3
237.14838	7.9
275.20251	3.4
315.15216	3.0
349.25174	8.5
385.27792	4.1
403.29745	6.9
421.31036	18.9
439.32227	20.3
457.26910	4.6
457.33163	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.0
59.92462	2.6
67.05498	11.1
69.07063	16.4
69.39411	19.9
79.05499	14.8
81.07062	23.3
83.04985	3.2
83.08619	7.9
84.95341	3.2
91.05476	29.0
93.07054	23.6
95.08604	29.3
97.06535	8.3
99.08089	13.8
103.05461	4.8
105.07042	75.9
105.69662	2.9
107.08612	40.5
109.06491	4.8
109.10180	36.3
109.25426	3.3
111.08064	4.1
117.07015	13.2
119.07830	4.4
119.08601	63.7
121.06497	5.9
121.10144	33.9
123.08058	6.7
123.11704	10.9
125.05983	8.5
129.07057	4.9
130.07840	3.1
131.04948	19.9
131.08582	58.5
133.10141	48.6
135.08034	5.0
135.11682	13.3
143.08556	12.6
145.10124	56.1
147.08073	29.0
147.11707	26.0
149.06000	53.2
149.09645	4.0
149.13254	8.2
151.11160	5.6
157.10120	11.9
158.10992	3.1
159.08083	4.6
159.11710	20.7
161.09650	5.5
161.13243	17.6
163.11153	7.1
163.14806	14.8
165.12750	4.5
171.11697	8.0
172.12486	3.5
173.13275	36.8
175.11154	6.1
175.14769	15.0
177.12726	4.1
177.16386	18.9
183.11705	6.6
185.13293	10.9
187.14836	77.8
189.16316	4.1
191.14355	5.1
197.13322	4.9
199.14923	4.9
201.12778	25.3
201.16467	4.2
205.15891	86.6
211.14830	5.1
217.15887	4.1
219.11809	5.8
219.13829	88.4
223.14757	5.3
223.16940	100.0
225.16290	4.6
247.16652	2.8
271.20569	4.0
276.78476	3.6
331.24130	3.8
349.24991	5.2
367.26349	2.9
385.27798	4.5
403.29980	4.3
421.30917	17.1
427.32785	3.9
439.32123	17.8
457.33072	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3317
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
51.02378	1.7
53.03938	3.6
55.01872	6.0
55.05512	21.4
57.03422	1.5
57.07070	3.6
62.50608	1.5
63.05279	1.3
65.03949	1.7
67.05511	17.8
69.03438	4.5
69.06727	1.9
69.07072	20.9
69.31921	11.2
70.06571	1.6
71.04996	3.3
79.05495	21.4
81.07059	28.7
83.04974	4.8
83.08624	14.6
85.02891	2.0
85.06541	2.6
91.05484	24.3
93.07047	39.3
95.04963	5.7
95.08614	61.9
97.06557	7.6
97.10190	3.5
98.97597	1.4
99.08107	17.9
105.07042	47.9
107.04951	3.0
107.08597	48.4
107.09322	2.9
109.06532	8.8
109.10155	19.5
111.08092	7.1
113.09649	13.0
115.05405	2.8
117.07032	10.2
119.08590	49.5
121.06496	7.5
121.10152	34.5
123.08060	13.1
123.11713	6.0
125.09637	4.9
126.56564	1.4
128.06233	3.4
129.07016	7.3
129.09221	1.5
130.07779	1.5
131.08577	29.6
133.06493	4.6
133.10138	35.1
135.08075	9.6
135.11700	14.7
137.09613	6.1
137.13264	1.5
139.11189	12.2
142.07788	5.8
143.08569	21.8
144.09366	3.1
145.10129	39.2
147.04494	1.7
147.08086	7.1
147.11703	26.1
149.09602	8.5
149.13248	6.1
151.07637	1.3
151.11180	4.2
153.01814	1.6
153.06943	1.5
153.12741	3.8
154.07817	1.7
154.09358	1.3
155.08575	8.2
156.09311	6.9
157.10132	28.1
157.11349	2.3
158.10791	2.2
159.08034	3.1
159.11714	32.6
161.09631	9.3
161.13248	13.2
163.11186	15.6
163.14789	6.3
164.04298	1.4
165.12784	3.2
167.08540	2.6
167.10654	2.8
168.09370	3.3
169.10146	13.7
170.10931	4.4
171.11719	24.2
173.09651	5.3
173.13274	22.1
175.11154	10.3
175.14790	9.9
177.05614	1.5
177.12775	2.9
177.16399	3.2
179.14337	4.9
181.10156	4.9
182.10930	3.5
183.11693	17.3
184.12543	2.7
185.09615	1.9
185.13260	20.5
185.28806	1.4
187.11189	5.4
187.14824	16.9
189.12752	4.3
189.16412	5.2
191.14317	6.3
193.10265	3.0
193.12219	2.9
193.15926	2.5
194.10953	2.9
195.11638	7.9
196.12442	2.0
197.13283	14.1
199.11198	3.8
199.14867	13.9
201.12750	5.5
201.16388	9.6
203.14352	12.6
203.18013	2.2
204.15158	1.7
205.15938	7.4
207.11725	3.5
208.12375	1.7
209.13266	7.0
211.13075	6.9
211.14993	9.4
213.12779	3.8
213.16422	7.8
215.14368	5.5
215.18015	3.0
217.15831	7.3
219.13850	2.0
219.17410	5.0
221.13292	3.6
221.15234	2.9
221.19025	1.3
223.14842	6.4
225.16501	4.8
227.14400	2.9
227.17996	2.6
229.15916	2.9
229.19647	1.4
231.17517	1.9
233.13274	2.5
234.14192	1.4
235.14838	3.8
235.17006	1.5
237.16400	5.4
239.14287	1.4
239.18045	2.6
241.15825	3.2
241.19601	3.4
243.17401	2.0
245.19012	1.9
247.14806	2.3
247.20544	1.9
249.16479	4.0
251.14220	1.7
251.17966	3.3
253.19525	4.8
255.21104	1.7
257.19040	2.5
259.20657	2.3
261.16467	2.0
263.18057	3.0
265.19733	1.9
267.17435	2.0
267.21252	2.3
269.19055	2.2
271.20648	4.1
273.22137	2.0
279.17523	1.3
281.19141	1.7
283.20599	2.2
285.22293	4.1
291.21176	2.3
297.22153	2.2
299.20221	2.4
303.20975	1.5
307.20642	1.9
309.22266	4.2
311.23666	3.0
313.21628	1.8
319.24289	1.6
321.22125	2.3
323.23972	1.5
333.22174	3.0
349.25253	2.0
351.23212	3.7
363.26987	2.5
367.26343	1.7
369.24515	2.0
375.30948	1.7
385.27951	1.8
391.30020	5.5
393.31592	3.9
403.30078	9.0
409.30984	9.6
411.32513	2.8
421.31058	27.3
422.31253	1.5
439.32135	36.9
440.32370	1.8
457.14886	4.8
457.33176	100.0
458.33441	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	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
55.05517	6.3
67.05505	4.5
69.03442	11.7
69.03745	2.2
69.07080	3.1
70.64850	4.9
79.05499	12.5
81.03410	8.0
81.07072	14.5
83.04996	4.2
85.02894	9.7
85.06567	2.5
87.00828	3.0
91.05482	14.2
93.07050	14.2
95.04975	5.2
95.08611	10.5
97.02877	3.4
97.06545	3.7
99.04454	2.5
99.08086	4.9
105.07033	20.9
107.04962	7.2
107.08607	33.1
109.02897	4.5
109.06527	6.6
109.10171	11.6
111.08071	2.4
115.05472	3.1
117.07027	4.3
119.08586	20.1
121.10158	21.1
121.60043	2.3
122.07270	6.0
123.11715	3.0
127.03951	7.4
131.08566	11.2
133.10147	100.0
135.08058	9.9
135.11687	4.5
137.05984	6.9
137.09634	47.1
143.08586	6.8
145.10156	13.1
147.04408	5.3
147.11714	14.9
149.09630	6.1
149.13286	12.0
151.11179	16.6
156.09416	2.5
157.10120	8.4
159.02876	2.5
159.11708	10.3
161.09602	3.0
161.13237	4.9
163.11180	4.6
163.14822	2.9
165.12791	13.3
169.10135	3.6
171.11774	4.1
173.13297	13.5
175.11142	3.0
175.14833	4.1
183.11711	5.8
184.65903	2.4
185.13289	6.1
187.14871	5.2
189.12762	2.2
191.14301	46.2
193.15868	5.9
195.11639	3.7
197.13412	3.9
199.14868	4.5
201.16452	5.1
202.60732	2.2
203.14363	4.5
209.13426	1.8
209.15369	49.4
211.14830	3.6
213.16350	3.0
299.20169	4.8
305.56534	2.6
317.21558	2.3
349.25226	4.3
385.27432	3.5
403.29889	2.8
421.30972	6.0
439.32098	5.3
457.33429	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
55.05517	6.3
67.05505	4.5
69.03442	11.7
69.03745	2.2
69.07080	3.1
70.64850	4.9
79.05499	12.5
81.03410	8.0
81.07072	14.5
83.04996	4.2
85.02894	9.7
85.06567	2.5
87.00828	3.0
91.05482	14.2
93.07050	14.2
95.04975	5.2
95.08611	10.5
97.02877	3.4
97.06545	3.7
99.04454	2.5
99.08086	4.9
105.07033	20.9
107.04962	7.2
107.08607	33.1
109.02897	4.5
109.06527	6.6
109.10171	11.6
111.08071	2.4
115.05472	3.1
117.07027	4.3
119.08586	20.1
121.10158	21.1
121.60043	2.3
122.07270	6.0
123.11715	3.0
127.03951	7.4
131.08566	11.2
133.10147	100.0
135.08058	9.9
135.11687	4.5
137.05984	6.9
137.09634	47.1
143.08586	6.8
145.10156	13.1
147.04408	5.3
147.11714	14.9
149.09630	6.1
149.13286	12.0
151.11179	16.6
156.09416	2.5
157.10120	8.4
159.02876	2.5
159.11708	10.3
161.09602	3.0
161.13237	4.9
163.11180	4.6
163.14822	2.9
165.12791	13.3
169.10135	3.6
171.11774	4.1
173.13297	13.5
175.11142	3.0
175.14833	4.1
183.11711	5.8
184.65903	2.4
185.13289	6.1
187.14871	5.2
189.12762	2.2
191.14301	46.2
193.15868	5.9
195.11639	3.7
197.13412	3.9
199.14868	4.5
201.16452	5.1
202.60732	2.2
203.14363	4.5
209.13426	1.8
209.15369	49.4
211.14830	3.6
213.16350	3.0
299.20169	4.8
305.56534	2.6
317.21558	2.3
349.25226	4.3
385.27432	3.5
403.29889	2.8
421.30972	6.0
439.32098	5.3
457.33429	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01855	3.2
55.05511	14.5
57.03433	2.2
57.07046	1.9
67.05514	10.4
67.74650	1.4
69.03437	14.5
69.07078	17.4
69.93449	7.2
71.04989	3.0
79.05492	12.8
81.03420	5.5
81.07063	17.4
83.04971	4.3
83.08604	2.9
85.02891	7.8
87.00833	2.0
89.47236	1.6
91.05482	13.7
93.07050	33.3
95.04942	3.4
95.08606	21.3
96.28326	1.4
97.02895	3.5
97.06528	7.0
97.10188	10.3
98.20718	1.5
99.08095	6.4
105.07043	26.4
107.04973	1.8
107.08605	36.1
109.02893	3.2
109.06510	5.0
109.10184	8.6
109.10751	1.7
111.04470	2.1
111.08035	3.5
113.09576	2.0
117.07005	5.8
119.08592	31.3
121.06504	14.8
121.10149	21.5
123.08058	6.4
123.11686	3.5
125.09593	5.3
127.03922	4.8
129.06998	4.0
131.08572	21.7
133.10121	21.1
135.08034	11.4
135.11671	8.7
137.09619	4.0
139.11128	2.1
142.07768	3.8
143.08617	8.6
143.10625	2.3
144.09326	2.4
145.04898	2.0
145.10136	19.5
147.04399	2.2
147.08060	4.6
147.11699	48.6
149.09593	8.6
149.13284	10.1
155.08557	3.5
156.09373	2.4
157.10153	12.9
158.10916	3.2
159.11714	12.0
161.09645	10.2
161.13228	9.8
163.11159	6.8
163.14815	5.2
165.12759	2.6
167.08464	1.9
169.10123	6.0
170.10936	2.0
171.10416	1.7
171.11655	8.7
173.13300	21.1
175.11121	2.8
175.14842	5.6
176.11975	2.5
181.09995	2.2
183.11679	6.5
185.09622	1.9
185.13269	12.1
187.11223	1.6
187.14787	6.3
189.12651	4.9
191.14317	100.0
195.11707	3.2
197.13235	5.6
199.14830	7.3
201.12776	2.4
201.16383	5.9
203.14311	8.2
205.15808	3.0
209.13438	2.9
209.15355	35.0
211.14780	3.5
213.16328	3.1
215.14371	3.5
217.15791	2.4
217.70381	1.7
219.17543	2.3
223.14815	3.8
225.16325	2.7
227.17981	1.6
229.15965	2.6
239.18079	1.9
243.12212	2.7
253.19533	2.6
255.17430	2.2
267.21152	1.9
271.20682	2.2
295.08777	4.9
299.20264	2.3
385.27161	6.3
391.29568	2.2
393.31357	2.4
403.29852	3.9
409.30994	2.2
411.32159	2.2
421.31116	8.0
439.32376	9.9
457.14920	1.8
457.20624	2.5
457.33267	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.05510	17.7
55.95206	3.9
57.07067	5.0
57.11987	3.6
67.05501	13.5
69.03424	23.7
69.07071	15.8
69.44812	32.7
71.04999	9.6
79.05494	15.1
81.03423	9.4
81.07064	28.9
83.04978	15.4
83.08604	8.6
84.08156	32.5
85.02906	13.4
85.06547	4.9
86.09721	5.4
87.00831	4.7
91.05480	25.4
93.07036	29.3
95.04960	8.2
95.08617	42.2
97.02897	7.5
97.06524	7.9
99.04488	4.9
99.08103	6.2
105.07042	39.6
107.04957	6.4
107.08599	56.2
109.06524	21.7
109.10147	33.4
111.08111	6.6
115.70865	4.2
117.07040	11.4
119.04948	13.3
119.08601	46.9
121.06493	11.2
121.10153	53.4
122.07354	4.4
123.08092	13.0
123.11730	6.1
124.03967	7.1
125.09637	19.1
127.03938	6.3
129.07008	6.4
131.08583	27.5
133.10141	40.0
135.04468	4.5
135.08044	20.1
135.11713	15.7
137.05942	10.3
137.09612	18.8
139.07477	5.7
139.11143	5.1
143.08591	15.2
145.10115	29.3
147.04413	36.7
147.08060	13.9
147.11694	24.5
149.09625	15.7
149.13277	20.3
151.11179	70.7
153.01805	8.6
155.08549	7.0
156.09290	4.6
157.10127	11.8
159.08101	4.7
159.11650	22.4
161.09641	6.7
161.13249	13.4
163.11192	5.6
163.14832	18.3
165.12718	8.8
167.10745	4.2
169.10103	7.1
171.11710	16.0
173.13293	33.6
175.11285	4.4
175.14862	12.6
183.11684	10.2
184.12576	5.5
185.13263	25.2
187.14874	17.9
189.12778	12.7
191.14326	92.4
194.07735	4.0
197.13300	5.8
199.14827	18.8
201.16364	5.2
203.14287	39.3
209.15347	67.5
211.14883	5.3
213.16348	4.3
215.10519	4.3
215.14307	8.3
227.17641	4.4
379.82455	4.1
393.31732	6.2
403.30026	4.9
413.15744	10.0
421.30960	11.0
439.32242	25.7
457.14822	59.1
457.22482	45.3
457.33200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01855	3.2
55.05511	14.5
57.03433	2.2
57.07046	1.9
67.05514	10.4
67.74650	1.4
69.03437	14.5
69.07078	17.4
69.93449	7.2
71.04989	3.0
79.05492	12.8
81.03420	5.5
81.07063	17.4
83.04971	4.3
83.08604	2.9
85.02891	7.8
87.00833	2.0
89.47236	1.6
91.05482	13.7
93.07050	33.3
95.04942	3.4
95.08606	21.3
96.28326	1.4
97.02895	3.5
97.06528	7.0
97.10188	10.3
98.20718	1.5
99.08095	6.4
105.07043	26.4
107.04973	1.8
107.08605	36.1
109.02893	3.2
109.06510	5.0
109.10184	8.6
109.10751	1.7
111.04470	2.1
111.08035	3.5
113.09576	2.0
117.07005	5.8
119.08592	31.3
121.06504	14.8
121.10149	21.5
123.08058	6.4
123.11686	3.5
125.09593	5.3
127.03922	4.8
129.06998	4.0
131.08572	21.7
133.10121	21.1
135.08034	11.4
135.11671	8.7
137.09619	4.0
139.11128	2.1
142.07768	3.8
143.08617	8.6
143.10625	2.3
144.09326	2.4
145.04898	2.0
145.10136	19.5
147.04399	2.2
147.08060	4.6
147.11699	48.6
149.09593	8.6
149.13284	10.1
155.08557	3.5
156.09373	2.4
157.10153	12.9
158.10916	3.2
159.11714	12.0
161.09645	10.2
161.13228	9.8
163.11159	6.8
163.14815	5.2
165.12759	2.6
167.08464	1.9
169.10123	6.0
170.10936	2.0
171.10416	1.7
171.11655	8.7
173.13300	21.1
175.11121	2.8
175.14842	5.6
176.11975	2.5
181.09995	2.2
183.11679	6.5
185.09622	1.9
185.13269	12.1
187.11223	1.6
187.14787	6.3
189.12651	4.9
191.14317	100.0
195.11707	3.2
197.13235	5.6
199.14830	7.3
201.12776	2.4
201.16383	5.9
203.14311	8.2
205.15808	3.0
209.13438	2.9
209.15355	35.0
211.14780	3.5
213.16328	3.1
215.14371	3.5
217.15791	2.4
217.70381	1.7
219.17543	2.3
223.14815	3.8
225.16325	2.7
227.17981	1.6
229.15965	2.6
239.18079	1.9
243.12212	2.7
253.19533	2.6
255.17430	2.2
267.21152	1.9
271.20682	2.2
295.08777	4.9
299.20264	2.3
385.27161	6.3
391.29568	2.2
393.31357	2.4
403.29852	3.9
409.30994	2.2
411.32159	2.2
421.31116	8.0
439.32376	9.9
457.14920	1.8
457.20624	2.5
457.33267	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70237	2.2
65.03938	2.7
67.05492	3.0
69.03432	21.6
69.21673	16.0
76.03957	1.9
79.05497	2.9
81.07036	3.1
83.04989	2.6
85.02910	2.7
89.03900	2.9
91.05489	13.7
93.07064	4.9
95.04988	10.6
95.08624	2.6
102.04683	3.3
103.05465	16.5
105.07026	13.7
107.04925	3.4
107.08627	2.2
111.04445	43.5
115.05469	5.9
117.03394	2.8
117.07020	5.0
119.04939	14.9
119.08582	4.4
121.06525	12.5
122.03657	5.7
123.04398	2.2
124.05201	3.2
128.06165	2.3
129.07040	3.5
130.04152	11.4
131.04936	44.4
131.08549	5.4
133.02853	10.1
133.06479	20.8
135.04408	6.7
135.08057	2.9
137.05984	85.2
138.06311	2.0
145.06499	22.1
146.03627	9.3
147.04416	65.3
147.07997	4.9
149.05978	39.2
149.07144	2.8
149.09581	1.8
150.06776	20.7
151.03880	4.5
151.07564	4.6
153.07120	2.0
157.06439	3.0
157.16797	1.7
159.08081	5.6
161.05978	96.2
162.06763	68.4
163.07555	41.4
164.07870	1.9
165.05513	3.8
167.07007	2.3
169.10178	2.5
171.08086	2.7
173.05991	18.4
175.07544	6.7
177.05515	12.2
179.07069	11.8
179.08443	2.6
181.08635	3.1
181.10143	2.3
187.07565	21.8
191.07053	4.3
193.08562	2.8
197.09598	3.4
199.07504	4.2
203.06999	3.6
203.14313	2.9
204.59308	2.2
205.08559	11.2
207.07951	2.9
209.09688	4.1
209.15410	2.3
213.09038	2.7
215.07114	3.0
217.08595	19.4
219.08073	3.4
224.08405	2.3
229.08620	3.9
233.08096	5.2
237.09148	2.6
241.08643	2.7
249.09096	2.1
253.08661	3.8
257.11896	2.1
259.09625	3.8
265.08621	7.3
265.11951	1.9
269.11703	3.3
285.11191	33.6
291.09879	2.3
293.11603	2.2
297.11215	100.0
298.11478	2.1
303.12259	3.1
309.11234	4.6
311.12918	14.6
315.12259	27.1
323.12735	20.6
341.14044	9.3
381.12735	3.4
384.25662	2.1
427.17648	3.2
439.17709	3.1
457.07828	3.8
457.14621	2.5
457.24420	10.2
457.32938	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	457.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42120	3.5
69.59510	20.2
75.81940	3.1
85.02924	4.2
104.54128	3.6
112.15063	2.9
159.71667	3.3
232.56580	3.4
254.85780	3.9
413.08441	10.9
457.07394	100.0
457.13483	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	457.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56870	5.3
55.05510	12.2
56.96577	6.0
61.58872	6.0
67.05482	11.3
70.06599	10.6
71.49317	12.8
79.05470	8.2
81.03395	8.1
81.07064	20.6
85.02942	6.6
86.09708	38.6
87.00211	5.4
91.05476	14.1
93.07043	18.2
95.05006	6.4
95.08595	24.4
97.06491	6.7
97.10111	6.4
98.97574	24.6
103.05461	6.0
105.07032	25.9
107.08574	18.3
107.62197	6.6
109.10159	9.4
112.99168	9.0
116.98611	11.8
117.06933	5.7
119.08571	19.6
121.06507	8.5
121.10166	12.1
125.05997	5.7
125.09686	6.7
131.00169	6.5
131.08563	14.1
133.10117	22.9
137.09676	7.2
145.10114	15.7
147.04369	11.9
147.11699	8.3
149.09639	32.9
157.10052	6.0
158.99634	8.9
159.11667	6.3
159.57777	6.0
161.09659	11.0
163.07578	8.1
173.01225	10.7
173.13297	8.1
175.14772	8.0
177.00731	11.7
185.13292	10.7
191.02319	6.7
191.14349	11.6
193.10471	7.9
209.15385	15.4
251.09604	10.5
266.12308	6.5
349.93414	6.1
371.13821	14.0
413.15277	15.0
419.04007	7.5
421.31021	8.5
439.31760	10.8
443.45844	6.4
457.14728	100.0
457.23907	40.2
457.31769	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.9
55.05516	11.9
57.07071	6.4
60.25900	2.2
67.05515	14.0
69.07070	14.2
69.66661	10.2
79.05512	10.8
81.07068	27.0
83.08615	9.6
91.05490	18.8
93.07045	36.7
95.04989	2.0
95.08611	43.4
95.09190	3.2
97.10169	5.0
99.08112	24.2
101.37747	1.8
105.07043	42.9
107.08601	48.8
109.10172	29.1
115.05383	1.9
115.93470	1.8
117.07018	3.2
119.08597	61.7
121.09335	3.1
121.10163	42.9
123.11707	8.5
131.08583	39.0
132.90314	1.6
133.10150	54.1
135.08086	3.4
135.11702	28.5
135.12625	3.2
137.13254	2.8
137.35265	2.1
143.08585	5.2
145.10143	42.3
147.11702	50.9
147.36273	2.0
149.13297	13.7
157.10127	11.5
159.11703	26.1
161.13287	18.4
163.14827	11.8
167.94862	1.9
171.11705	3.3
173.13292	14.4
175.14873	13.0
177.12906	2.1
177.16426	7.1
185.13300	3.4
187.14838	24.2
189.16406	24.1
191.17967	100.0
199.14914	4.1
201.16411	94.0
203.17972	29.1
205.15926	4.5
205.19516	3.9
213.16559	5.5
215.17941	8.9
217.12332	2.2
217.19571	10.8
219.17468	14.4
229.15924	2.9
229.19553	2.8
231.21242	3.4
241.19482	2.1
241.80568	1.8
243.21037	2.5
247.16821	4.0
391.33618	4.9
409.34760	28.6
437.34262	6.1
455.35950	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	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.2
57.12883	1.6
67.05496	5.0
69.07060	7.9
70.67836	5.6
79.05473	7.5
80.16116	1.7
81.07051	15.1
83.08599	5.4
83.29031	1.7
91.05459	6.6
93.07065	13.1
95.08601	33.9
97.10150	2.5
98.21441	1.8
105.07055	11.2
107.08601	39.7
109.10149	16.9
111.08081	2.3
119.08580	18.1
121.10155	26.8
123.11677	4.8
131.08569	4.2
133.10127	17.7
135.08044	2.5
135.11668	9.2
137.13275	2.1
143.08546	2.5
145.10133	15.2
147.11736	13.9
149.09595	2.1
149.13248	9.2
153.09042	2.6
158.10913	2.1
159.11722	9.3
161.13278	8.6
163.11247	12.3
163.14806	5.8
171.11688	2.8
173.13257	6.8
175.14856	16.6
177.16406	32.7
185.13326	2.5
187.14844	13.7
189.16391	11.9
191.17938	2.5
201.16388	4.8
203.17970	29.6
205.15886	100.0
205.19162	3.5
206.16388	2.4
213.16386	2.3
215.17941	3.7
219.17355	1.9
221.18994	2.5
229.19492	2.4
249.18529	6.6
266.39862	1.9
295.24146	4.7
313.25253	7.0
391.33844	3.3
409.34674	35.8
437.34570	9.6
455.35352	5.1
467.72659	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
55.05521	6.8
57.07055	3.8
67.05502	7.4
69.07076	19.3
69.46339	22.6
69.46741	7.2
75.71449	3.4
79.05506	7.4
81.07069	23.6
83.08635	12.0
91.05508	10.8
93.07063	23.7
95.08610	51.5
105.07037	28.5
105.53026	3.1
107.08598	42.5
107.38519	3.2
109.10168	27.5
119.08600	57.4
121.10149	39.0
123.11708	7.8
131.08611	8.1
133.10147	46.2
135.11697	18.9
145.10126	34.2
147.11703	35.7
149.13255	17.9
159.11705	36.8
161.13257	27.3
163.11256	4.9
163.14851	24.3
171.11664	3.9
173.13286	10.8
175.14861	18.2
177.16405	20.5
187.14862	43.9
189.16425	63.0
191.17987	15.2
199.14763	5.5
201.16365	16.3
203.17978	100.0
205.15921	45.6
207.17543	5.5
213.16362	8.2
215.18025	4.6
217.19621	3.7
219.17215	4.5
231.17552	4.4
235.16930	4.8
249.18625	10.4
371.22461	3.9
387.80231	3.5
391.33578	5.5
409.34711	52.7
428.61533	4.1
437.34503	40.7
440.68347	3.8
455.35123	11.5
480.16171	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05509	12.3
67.05495	16.9
69.07063	17.9
71.50409	6.6
79.05495	10.8
80.47365	4.8
81.07051	37.8
88.07620	14.3
91.05470	9.3
93.07018	22.1
95.08628	61.5
97.10189	7.3
105.07034	26.1
107.08590	46.0
109.10191	33.5
119.08607	44.3
121.10150	40.1
123.11691	13.3
125.09576	5.0
131.08609	10.0
133.10136	41.8
135.08080	8.4
135.11676	18.1
145.10112	16.8
147.11702	26.9
148.11980	5.3
149.13216	10.2
153.09270	5.9
159.11687	11.0
161.13283	22.4
163.11214	26.3
163.14809	7.6
173.13231	6.6
175.14874	15.0
177.12729	5.8
177.16373	19.4
187.14821	16.7
189.16422	22.5
201.16354	8.4
203.14267	5.9
203.17975	62.2
205.15910	100.0
207.17403	13.7
215.17964	7.0
242.24805	8.8
249.18491	11.1
283.23965	6.3
313.21216	5.4
313.25192	11.7
409.34674	56.8
419.32581	6.0
437.34064	16.2
455.29932	6.2
455.35083	33.1
455.45731	13.9
456.44122	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	454.2931
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05506	1.9
57.03432	4.1
57.07078	22.8
62.06092	27.3
66.25394	1.1
67.05504	5.8
68.80417	1.1
69.07076	5.6
71.08635	17.1
72.43752	1.0
75.11071	1.1
81.07053	5.9
83.08623	3.0
85.10177	9.0
89.06017	1.4
95.08601	9.5
97.10176	2.8
98.98459	6.9
109.10144	4.8
112.99990	1.0
119.08544	1.6
123.11761	1.5
124.01583	1.1
131.49547	1.0
142.02606	1.4
155.01031	7.4
175.89612	1.4
216.06329	2.4
229.43484	1.4
282.27911	12.7
313.27380	100.0
314.27499	2.1
393.24200	6.6
436.28232	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03324	1.0
69.40723	2.6
69.41129	5.5
70.06585	1.0
71.22736	1.0
96.35802	1.1
98.97598	1.3
101.00894	2.1
112.89617	3.9
120.13745	1.0
131.00229	1.4
131.01923	2.1
137.01979	1.5
143.01939	3.2
153.01859	1.4
155.01910	2.5
157.57054	1.1
161.03003	1.5
168.88377	1.1
173.02992	2.2
185.03030	4.0
197.02983	1.9
203.04036	1.8
244.80191	1.2
245.05161	8.4
263.06198	2.1
275.06265	1.7
305.07147	1.4
365.09128	2.0
386.87549	1.0
399.97235	1.0
455.11691	100.0
456.11957	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09689	0.8
56.87061	0.8
70.14552	2.2
112.89611	41.2
131.81424	0.9
151.70424	1.0
263.06186	2.9
275.06253	1.6
301.50778	1.0
395.09814	1.4
403.84888	1.1
404.00812	0.9
455.11646	100.0
456.11746	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
55.05505	19.1
56.07443	4.0
56.55951	4.1
57.07059	8.2
60.94604	3.9
67.05515	28.8
69.07063	27.9
69.36543	35.8
73.90929	4.1
79.05485	22.9
81.07057	44.3
83.08628	15.2
91.05490	22.8
93.07043	62.3
95.08614	82.5
97.10186	6.9
98.21593	7.4
104.74189	4.0
105.07029	54.8
107.08600	94.5
109.10169	56.0
111.08080	5.9
117.07011	10.4
119.08583	100.0
121.10156	68.4
123.08105	5.1
123.11728	23.7
131.08617	23.8
133.10138	73.2
135.11678	44.6
137.13222	8.3
143.08549	6.6
144.09370	5.7
145.10150	44.7
147.11681	53.0
149.13278	28.9
157.10129	14.0
158.10942	5.2
159.11700	44.1
161.13222	43.4
163.07574	7.6
163.11005	5.9
163.14835	37.1
165.12749	8.4
171.11720	14.5
173.13232	34.3
175.14825	36.1
177.09108	12.7
177.16412	24.2
179.14317	16.9
183.11681	6.0
185.13327	6.8
187.14798	32.0
189.14799	7.6
189.16397	89.1
191.17915	22.8
193.15947	4.3
199.14799	10.7
201.16391	55.0
203.17967	71.2
205.15823	6.0
207.17485	12.8
213.16470	9.8
215.17970	29.9
217.19522	6.2
219.17433	8.5
221.19022	13.0
225.16418	5.0
227.17938	11.9
229.19481	29.6
235.16931	8.8
241.19511	10.5
243.21014	22.6
245.19138	5.6
247.16873	37.2
255.21138	12.1
257.22708	6.7
261.18387	9.9
269.18967	5.0
269.22589	5.5
275.20120	9.2
287.19992	8.1
289.21640	15.4
294.79361	4.6
301.21545	9.8
303.23175	7.3
315.23035	8.9
375.50125	4.4
391.33594	17.4
395.29684	7.3
409.34763	53.6
437.34402	65.3
455.30594	16.4
455.35226	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03955	5.0
55.05518	28.4
57.07081	7.8
63.46571	2.2
65.03944	2.2
67.05504	26.4
69.07072	26.8
69.48042	12.5
69.48452	3.4
78.50686	2.4
79.05495	22.9
81.07066	51.9
83.04969	3.2
83.08627	18.0
91.05478	25.4
93.07054	63.0
95.04973	5.5
95.08614	63.0
95.09180	4.2
97.06526	5.4
97.10213	3.4
99.08122	6.5
105.07033	50.7
107.08602	87.9
109.06557	4.3
109.10159	51.4
109.10846	4.7
111.04458	2.6
111.08111	6.8
116.10049	2.3
117.07046	11.4
119.08592	78.0
121.06480	3.5
121.10158	57.0
123.08081	7.4
123.11708	19.1
125.06052	7.1
125.09676	10.3
128.06303	5.0
129.07043	7.1
130.00555	15.9
130.04073	3.3
131.08574	31.8
132.00237	4.0
133.06505	3.2
133.10138	71.7
133.11102	4.8
135.08023	5.6
135.11697	36.9
137.09676	8.8
137.13290	7.4
138.01089	10.7
139.07637	3.0
142.07832	7.8
143.08577	20.0
144.09363	2.6
145.10133	54.1
147.11702	61.0
149.09648	4.0
149.13261	25.2
151.11230	9.9
153.09117	5.9
155.08557	7.3
156.09377	8.5
157.10135	36.2
157.11327	3.0
158.10950	5.7
159.11693	56.1
159.12872	3.8
161.09689	3.5
161.13257	22.7
163.11223	9.4
163.14853	32.5
165.09137	4.1
165.12770	3.5
167.10721	2.9
167.14409	2.6
169.10107	12.6
170.10930	11.6
171.11708	37.6
172.12361	3.4
173.13284	31.5
173.14702	2.6
174.93271	3.1
175.11261	9.1
175.14853	22.1
177.00894	11.3
177.12798	21.4
177.16461	10.7
179.10718	3.5
182.10918	4.2
183.11754	16.8
185.13281	39.3
187.14839	36.5
189.12799	2.4
189.16394	34.5
190.42195	2.4
191.10818	3.2
191.14340	6.8
191.17932	2.3
193.12250	5.3
194.00056	24.9
195.01990	4.8
195.11755	5.9
195.99805	6.6
197.13263	17.8
199.14828	27.5
201.12714	3.4
201.16403	30.0
203.10805	3.8
203.14380	11.2
203.18002	16.0
205.00356	5.7
205.15884	24.0
207.11746	3.0
207.17412	4.7
209.13304	8.5
209.15256	2.8
210.14107	3.2
211.14909	9.8
213.12915	4.2
213.16400	22.8
215.14430	7.1
215.18024	7.1
217.12358	3.6
217.15962	11.0
217.19630	5.5
219.17569	4.7
221.13373	3.8
223.14839	5.9
225.16463	6.1
227.17862	11.7
229.15875	5.5
229.19659	4.1
231.17557	10.1
235.17055	8.4
237.16438	3.1
239.18091	3.8
241.19687	9.6
243.17572	3.3
243.21211	6.2
245.16029	2.4
245.19096	6.8
249.16380	3.7
249.18713	6.4
253.19574	7.4
255.21194	10.8
259.20755	6.0
263.20215	3.2
265.19675	4.8
267.21127	3.3
269.22781	6.6
273.18506	2.6
275.20264	2.8
281.22867	2.9
283.20575	27.5
283.92319	3.4
285.92035	15.1
289.21768	4.4
297.22244	2.7
301.21680	5.1
303.93021	6.8
307.24261	4.3
309.25867	5.5
315.23404	6.4
337.25366	7.5
341.24982	5.1
351.23459	4.0
353.25040	3.3
355.26657	4.1
389.32285	9.4
407.33197	81.5
408.33295	3.0
417.31580	5.5
423.33362	3.1
425.34253	5.4
435.32727	48.0
442.33578	3.1
451.93408	2.8
452.80505	2.6
452.87003	2.9
452.93423	67.2
453.33844	100.0
453.93918	6.6
454.33966	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	453.3368
Annotation	Stellettin J
Peak:m/z	Relative Intensity
52.33534	3.3
53.03928	3.5
55.05508	10.5
56.28535	3.3
59.05013	4.1
67.05506	11.7
69.07057	17.9
69.30782	24.8
69.31190	6.5
79.05495	16.1
81.07054	29.2
91.05482	21.1
93.07037	25.8
95.04984	4.5
95.08611	38.4
100.29050	3.3
100.64862	3.5
105.07029	48.5
107.08608	40.6
109.06503	6.0
109.10169	27.9
111.08118	5.9
117.07001	4.9
119.08588	100.0
119.79930	3.7
121.10160	29.6
123.08046	7.9
123.11745	8.2
129.06995	6.7
131.08563	25.9
131.33875	4.0
133.10146	41.3
135.08047	5.3
135.11681	12.8
137.09604	5.3
142.07738	5.2
143.08572	20.3
144.09377	6.2
145.10136	38.2
147.11703	20.8
149.09610	4.9
149.13248	12.3
155.08557	7.6
156.09317	9.0
157.10147	24.8
159.11696	46.0
161.09642	16.3
161.13272	15.8
163.14832	9.9
165.12750	4.5
169.10158	5.2
170.11009	4.4
171.11682	24.1
173.13284	44.1
175.11174	7.7
175.14833	39.0
177.12846	7.1
177.16402	16.2
178.95369	4.4
183.11696	8.9
184.12534	5.7
185.13242	11.0
187.14842	24.1
189.12775	6.9
189.16415	12.2
191.14413	6.1
193.15880	8.8
195.11664	4.0
197.13271	7.1
199.14807	19.8
201.16461	8.5
203.14346	9.0
203.17958	6.2
205.15912	9.0
209.13297	5.1
211.14970	6.5
213.16383	16.7
215.14284	5.2
215.17958	11.8
217.15840	18.9
221.15363	4.8
223.14967	4.8
225.16516	4.3
227.18015	4.0
231.17447	15.0
233.15370	6.4
235.16942	73.4
277.18127	5.8
283.20599	5.1
369.92099	3.6
389.32477	4.1
407.33112	4.7
417.31451	10.8
435.32791	34.0
453.33649	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.8
57.07088	3.3
67.05512	17.8
69.07069	16.8
69.50384	20.3
69.50803	5.5
72.79665	3.3
79.05501	14.3
81.07063	42.4
83.04995	11.0
83.08627	11.0
91.05481	18.4
93.07053	40.3
95.04982	6.5
95.08612	59.2
99.08089	6.4
104.79489	2.8
105.07034	55.8
107.08614	68.9
109.06554	6.6
109.10165	37.1
111.08075	6.3
117.07031	9.5
119.08595	100.0
121.06556	3.0
121.10151	55.2
123.11702	16.3
125.09589	4.9
129.07011	6.8
130.07845	3.2
131.08592	32.4
133.10138	66.8
135.08110	4.9
135.11688	27.2
137.09627	4.6
141.06935	3.1
143.08580	13.8
145.10136	60.6
147.11705	42.5
149.13300	19.5
151.11151	6.1
153.09103	4.5
155.08572	4.5
156.09369	3.2
157.10196	16.9
158.10890	5.8
159.11717	52.9
161.13275	24.9
163.11206	8.4
163.14821	19.9
169.10150	3.4
171.11722	11.3
173.13277	29.1
175.14844	31.6
177.12790	3.5
177.16425	20.3
183.11662	8.4
185.13303	12.0
187.14819	48.7
189.16380	61.0
191.14297	9.9
191.17897	5.0
197.13194	5.6
199.14923	16.2
201.16406	75.1
203.14366	4.5
203.17979	19.1
205.15887	30.8
211.14781	3.8
213.16423	30.4
215.18034	16.6
217.15860	4.7
217.19499	5.7
219.17554	21.1
225.16391	4.1
227.18033	9.8
229.15782	3.9
229.19554	4.3
231.17473	4.9
233.18965	4.3
235.16901	8.8
241.19519	8.2
247.17015	10.1
255.21091	5.8
267.21078	5.6
389.31937	9.4
407.33173	45.7
409.34445	4.2
419.23285	3.1
425.33572	3.9
435.32904	18.2
453.34143	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	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03949	2.1
55.05513	9.3
57.07076	4.4
62.82383	1.3
64.19434	1.2
64.19775	1.3
67.05512	11.9
69.07076	10.6
69.15506	12.1
69.15924	3.0
79.05497	15.5
81.07065	20.9
83.08624	6.6
85.06574	2.0
89.46201	1.3
91.05479	18.8
93.07055	24.9
95.08614	28.2
97.10189	1.6
98.20799	2.9
99.08110	12.3
105.07034	38.8
105.07702	2.5
107.08601	63.5
109.06480	1.7
109.10164	19.1
115.05475	3.1
117.07050	8.3
119.08591	65.9
121.10152	35.3
123.11710	16.5
129.07010	3.1
130.07823	2.4
131.08583	22.5
133.10139	49.2
133.11110	3.0
135.11688	28.7
137.13260	2.4
142.07793	1.8
143.08578	8.6
144.09360	4.2
145.10132	47.3
147.11697	46.7
149.13272	11.1
155.08516	1.5
156.09413	2.9
157.10144	11.6
158.10948	2.8
159.11697	46.5
161.13263	20.1
163.14821	3.7
169.10202	4.0
170.11021	1.8
171.11681	9.3
172.12492	3.0
173.13290	31.0
174.13957	1.5
175.14853	21.7
177.16437	6.3
179.14406	4.6
183.11739	3.9
185.13297	7.9
186.14029	2.2
187.14838	41.0
189.16394	54.0
191.18037	5.9
195.11708	2.4
197.13350	3.2
199.14824	10.2
201.16397	43.3
203.17896	7.4
205.15892	2.8
209.13336	1.9
211.14859	5.0
213.16409	10.5
215.17958	56.7
217.15981	3.2
217.19577	4.9
219.17496	3.0
225.16351	3.1
227.18036	3.6
229.19504	14.2
231.17474	5.1
233.15456	4.3
237.16368	2.1
239.17973	2.3
241.19617	3.0
247.17001	1.6
253.19547	2.8
265.19565	2.5
267.21130	3.4
285.22186	3.1
319.23892	1.5
335.27493	8.0
389.32159	7.3
407.27832	2.2
407.33136	44.8
411.29150	1.6
417.31686	2.1
435.32791	14.4
453.33768	100.0
454.34140	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
52.81588	2.1
55.05512	17.2
57.07075	6.2
62.36451	2.5
67.05522	13.5
67.26958	2.4
69.07070	18.5
69.19604	14.1
69.20039	11.9
79.05495	14.0
81.07061	25.5
83.08633	8.5
91.05476	22.8
93.07049	35.8
95.04947	3.3
95.08612	48.5
97.10188	4.8
99.08107	4.7
105.07040	47.1
107.08599	62.9
109.10163	30.9
111.08078	5.3
113.64959	2.4
117.07014	6.8
118.12486	3.2
119.08588	100.0
121.10156	42.8
123.08107	3.0
123.11734	11.6
125.09643	3.4
131.08574	29.5
133.10146	59.8
135.11696	31.3
137.09618	4.4
137.13274	4.2
142.07755	4.3
143.08553	10.3
144.09338	7.5
144.79210	2.9
145.10135	69.9
147.11691	44.7
149.09660	3.2
149.13312	11.3
151.11185	2.5
157.10133	17.5
158.10916	5.0
159.11697	54.0
161.13284	23.7
163.11194	10.9
163.14862	14.7
169.10138	5.3
170.10887	3.0
171.11758	13.6
173.09518	2.5
173.13275	32.7
175.14859	21.2
177.12741	7.6
177.16397	17.6
183.11742	8.8
185.13275	17.6
186.13936	3.6
187.14830	68.2
189.16383	69.6
195.13763	3.4
197.13271	2.8
199.14810	15.3
201.16386	78.5
203.14326	4.3
203.17917	17.4
205.15881	57.2
207.17477	6.3
211.14796	2.6
213.16417	26.9
215.14456	3.4
215.17902	14.0
217.15955	3.3
217.19568	2.7
219.17467	7.8
219.70593	2.5
227.17946	12.6
231.17551	7.2
241.19588	3.8
243.17499	3.3
245.15625	2.6
245.19347	3.7
247.16982	10.9
255.21063	3.0
283.20471	3.2
319.24365	3.0
389.32092	8.3
407.33136	48.3
417.31369	5.2
425.34225	3.9
435.32748	18.5
453.33768	58.8
470.09335	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	453.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.8
54.44417	4.0
55.01883	5.2
55.05500	19.5
57.07055	5.5
65.03956	6.5
67.05498	27.6
69.03411	6.2
69.07078	34.0
70.04478	8.2
70.04887	15.1
73.39080	4.9
79.05495	30.2
81.07063	70.3
83.04987	5.0
83.08618	17.5
85.02900	6.9
91.05479	41.3
93.07047	56.7
95.04974	8.5
95.08624	100.0
97.06539	5.6
97.10161	9.1
99.08105	10.6
105.07038	56.0
107.08607	95.6
109.06490	6.8
109.10168	50.5
111.08098	11.1
117.07016	22.6
119.08594	97.6
121.06513	4.6
121.10162	77.6
123.08061	9.4
123.11699	28.4
128.06200	4.9
129.07010	11.9
131.08574	54.8
133.10139	73.8
135.08051	13.0
135.11720	52.3
137.13239	22.3
143.08580	23.7
143.28581	4.1
145.10141	79.2
147.11687	45.7
149.09549	5.4
149.13266	42.1
151.14847	4.6
153.01807	4.3
153.06963	5.7
156.09401	7.6
157.10146	28.5
159.11713	60.9
161.09680	11.1
161.13289	31.7
163.11192	18.1
163.14841	17.2
169.10107	15.8
171.11702	27.9
173.09619	7.3
173.13269	40.6
175.11195	10.0
175.14857	42.0
177.16405	41.0
179.10602	5.0
181.10120	6.1
181.44508	4.8
183.11728	16.4
185.13237	20.0
187.11246	9.4
187.14862	61.7
188.41977	4.6
189.12746	9.4
189.16411	45.0
191.14293	9.4
191.17921	10.3
195.11632	6.1
195.13814	4.4
197.13286	12.0
197.96758	4.2
199.14812	19.0
201.12624	7.0
201.16396	87.6
203.14342	11.1
203.17978	33.4
205.15904	83.5
207.17360	5.1
211.14876	9.3
213.16412	19.2
215.10715	5.1
215.14293	5.2
215.17972	16.5
217.12207	4.8
217.15938	7.5
217.19516	7.2
219.17500	5.1
223.14914	5.4
225.16444	7.5
227.17851	11.6
231.17458	8.6
237.16301	6.7
239.14308	4.6
239.17963	11.2
241.19537	8.9
245.15448	7.2
247.16833	9.3
265.19586	7.4
275.16534	7.7
279.21173	4.6
287.20139	4.5
354.69290	4.4
389.32211	8.9
407.28662	5.9
407.33218	62.3
435.28156	7.7
435.33121	9.5
453.00674	6.6
453.29285	27.3
453.33792	52.1
470.31418	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	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03955	3.8
55.05519	18.2
57.07089	8.2
65.03938	2.3
67.05514	21.5
69.03429	2.2
69.07079	25.8
70.66714	4.0
70.67066	2.7
77.03960	3.4
79.05504	21.6
81.07066	40.0
83.08624	17.7
85.06530	2.0
91.05484	30.3
93.07055	50.6
95.05018	3.1
95.08615	56.3
97.06571	3.5
97.10184	4.0
99.08118	12.4
103.43711	1.6
105.07045	55.4
107.04974	2.8
107.08605	77.7
109.06510	2.1
109.10174	37.1
111.04496	1.9
111.08101	4.4
115.05457	2.0
117.07029	11.6
119.08595	94.5
121.06513	3.4
121.10161	53.1
123.08080	7.6
123.11707	14.0
125.06019	4.6
125.09640	3.7
128.06267	2.4
129.07047	6.1
130.07814	3.9
131.08578	35.1
133.09135	3.9
133.10147	77.0
135.08098	7.4
135.11703	33.0
137.06049	2.7
137.09650	3.1
137.13316	4.3
139.07611	2.1
142.07817	4.4
143.08559	13.2
143.09486	1.5
144.09370	4.7
145.10143	71.6
147.08156	2.7
147.11702	67.5
149.09656	3.5
149.13283	16.2
151.11221	6.0
152.94238	1.6
153.09187	3.8
155.08592	4.8
156.09415	6.0
157.10135	29.5
158.10953	6.3
159.08217	1.8
159.11713	66.8
161.09686	4.7
161.13284	21.1
163.11151	9.1
163.14842	19.7
165.12852	2.3
169.10179	9.8
170.10963	7.1
171.11710	22.4
171.12990	2.1
172.12581	3.1
172.73264	1.7
173.13286	33.4
175.11267	7.3
175.14850	21.0
177.12770	8.9
177.16422	14.0
179.10811	2.1
179.14468	2.5
181.10161	5.2
182.11005	2.3
183.11717	12.5
185.13277	28.7
186.14063	2.6
187.11389	4.0
187.14845	56.5
187.16487	3.0
189.12830	3.1
189.16415	62.1
191.14423	5.6
191.18002	5.7
195.11789	5.1
195.13864	3.7
196.12509	2.1
197.13249	13.4
199.14842	23.4
201.12888	4.0
201.16400	57.4
203.14384	6.7
203.17975	17.7
205.12511	2.0
205.15918	28.2
205.19681	1.7
207.17445	3.8
209.13501	4.5
209.15550	2.4
211.14865	6.3
213.16388	26.3
213.18126	2.3
215.14417	5.4
215.17957	15.1
217.15887	10.3
217.19623	5.2
219.17570	7.3
223.14891	3.7
225.16505	5.7
227.17937	11.3
229.15996	3.8
229.19566	4.5
231.17480	11.1
233.19022	1.8
235.15039	2.2
235.17111	2.9
237.16512	3.4
239.18025	4.4
241.19672	6.8
243.21237	3.7
245.19159	6.0
249.18655	2.9
253.19580	5.7
255.21208	6.6
257.19122	2.5
259.20639	3.1
263.18130	2.2
265.19440	4.0
269.19543	1.6
269.22763	5.1
279.21298	2.7
281.19000	2.4
283.20663	14.5
293.22736	2.7
301.21802	4.6
309.22351	2.8
311.23782	2.1
315.23080	2.5
323.23904	2.1
333.25754	3.7
335.27505	2.8
337.25470	5.9
351.23343	3.0
353.24756	2.0
379.26669	2.3
389.32144	9.3
407.33237	49.2
417.31906	4.6
423.32730	2.9
425.34476	5.7
435.32758	29.3
453.33899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.47854	4.1
51.86612	4.3
53.03942	5.9
55.05508	23.9
67.05511	30.6
69.07053	22.5
69.39443	25.8
69.39857	9.9
79.05494	25.9
81.06654	5.8
81.07060	55.7
83.04985	84.4
83.08595	12.6
86.98245	4.4
91.05495	29.4
93.07048	56.3
95.04958	20.1
95.08617	89.6
97.06541	8.3
97.10158	7.6
98.21493	6.6
104.48318	3.9
105.07041	75.4
107.08592	93.8
108.58751	4.2
109.06502	8.3
109.10159	45.2
111.08060	7.4
117.06994	11.8
119.08584	100.0
121.10150	51.0
123.08070	20.0
123.11685	13.7
125.09581	9.7
129.06967	4.7
131.08562	34.6
133.10141	60.1
135.07965	4.5
135.11717	30.5
137.09557	6.1
137.13248	7.2
143.08568	8.6
145.10124	61.2
147.11703	59.9
149.13248	18.5
157.10085	12.6
159.11694	55.6
161.13249	57.3
163.11296	5.8
163.14827	21.6
171.11696	13.5
173.13254	32.5
175.14861	33.3
177.16391	22.0
185.13319	13.8
187.14859	39.6
189.16399	67.5
191.17917	14.8
191.42989	3.8
199.14810	19.8
201.16379	81.5
203.18005	33.5
205.15869	18.3
207.17545	6.8
213.16399	18.7
215.14238	4.8
215.18040	24.0
217.15887	32.8
219.17456	22.0
227.17912	8.6
231.17395	7.7
235.16891	10.2
241.19383	9.8
247.16899	9.9
249.18607	6.0
251.18073	5.0
255.21100	4.3
261.18521	16.4
273.18671	4.4
315.23355	4.8
334.26773	4.2
349.28943	4.7
357.27835	10.2
371.29248	5.4
389.32016	11.4
395.29312	18.5
400.85358	4.1
407.33087	48.6
435.32205	12.2
453.33856	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
55.05267	3.7
55.05513	35.2
56.78323	1.8
57.07076	7.7
60.05228	1.9
60.13402	2.0
65.03941	2.3
65.70457	1.9
67.05507	28.9
68.13822	2.1
69.07069	33.7
70.92975	1.8
71.08642	3.0
71.38754	2.8
71.39082	2.3
72.63957	1.9
76.31094	2.6
79.05502	31.2
81.07061	53.6
83.05016	3.9
83.08614	18.7
85.06605	3.2
85.10192	2.4
91.05480	32.5
93.07045	53.9
95.04995	5.8
95.08613	60.3
97.06559	5.6
97.10190	4.5
99.08120	4.4
103.37889	1.9
105.07040	49.8
107.04994	2.5
107.08596	94.6
107.09313	4.8
108.24909	1.9
109.06504	3.4
109.10160	44.3
109.10851	3.3
111.04459	3.9
111.08097	6.8
117.06358	2.3
117.07040	12.8
119.08590	83.9
121.06561	4.6
121.10150	68.3
121.11028	3.9
123.08088	7.5
123.11711	20.0
125.06004	7.7
125.09608	10.1
128.06262	5.2
129.07022	5.8
131.08568	33.5
133.06537	3.5
133.10130	75.4
135.08107	8.1
135.11705	27.8
137.05986	3.4
137.09657	8.0
137.13307	7.6
139.07594	2.6
139.11150	3.0
142.07846	7.4
143.08577	19.2
145.10130	48.7
146.10832	2.3
147.11693	63.2
149.09660	4.9
149.13263	24.8
151.07553	3.1
151.11183	10.5
153.09142	4.4
155.08598	4.6
156.09384	9.9
157.10135	32.5
158.10963	5.3
159.11693	55.8
161.09674	4.8
161.13239	22.7
163.11195	7.7
163.14822	40.3
165.09189	6.9
165.12834	5.8
165.16464	2.6
167.08562	2.8
167.10764	3.6
169.10149	13.8
170.10916	10.9
171.11710	38.5
172.12521	2.9
173.13268	33.5
174.10468	2.3
175.11261	7.1
175.14833	16.7
177.12741	15.0
177.16383	12.4
179.10767	4.8
181.10153	7.2
183.11725	22.5
184.12517	3.8
185.13263	41.3
187.11232	2.8
187.14841	29.7
187.16219	2.2
189.12834	6.5
189.16386	27.4
191.14392	8.0
191.18002	4.0
193.10278	2.7
193.12212	3.3
195.11798	6.4
197.13226	12.7
199.14825	29.5
201.12885	2.9
201.16365	30.1
203.14445	9.2
203.17999	20.8
205.15869	20.5
207.11719	3.4
207.17540	5.4
209.13329	6.6
209.15269	2.7
211.14844	12.1
213.16402	20.1
215.14352	5.0
215.18008	9.2
217.15913	9.4
217.19565	2.7
219.17540	5.7
221.13400	2.6
223.14845	6.1
225.16364	10.3
227.17996	13.4
229.15933	5.6
229.19589	4.3
231.17395	12.7
231.21214	2.6
233.19023	2.8
235.14911	3.8
235.17061	5.4
237.16414	2.7
239.18054	5.4
241.12584	2.6
241.15869	2.7
241.19667	7.6
243.17560	4.7
243.21190	4.1
245.19138	6.3
247.17050	3.6
249.18547	3.9
251.17928	2.8
253.15816	2.4
253.19566	12.6
255.21220	8.8
257.19095	4.2
259.20627	6.1
263.17993	4.5
265.19681	6.7
267.21176	3.9
269.22775	9.7
271.20517	5.2
275.20279	3.4
281.22760	2.8
283.20578	30.9
284.21344	3.1
289.21710	4.2
293.22900	2.6
297.22464	4.4
301.21777	8.6
307.24301	2.9
309.25833	3.7
315.23239	6.9
319.24332	3.7
325.21722	2.5
337.25439	6.6
341.24841	3.2
355.26431	4.8
367.26553	2.4
389.32178	10.9
393.28424	2.4
407.33212	72.0
417.31726	6.9
425.34280	3.8
435.32733	49.5
453.33899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.05517	24.0
57.07080	7.4
57.40951	1.5
65.03947	2.6
66.86686	1.5
67.05510	23.7
69.06709	3.0
69.07069	21.8
69.55761	10.8
79.05500	22.8
81.07066	36.7
81.07536	2.4
83.05008	4.1
83.08623	15.5
85.06544	3.4
91.05482	27.9
91.06007	2.0
93.07053	51.6
95.05002	2.1
95.08614	58.5
97.06563	3.0
97.10191	4.6
99.08115	11.5
105.07039	51.6
107.05025	1.6
107.08604	83.5
109.06573	4.2
109.10165	37.3
111.04478	2.4
111.08134	3.8
111.47743	1.5
115.05499	2.9
117.07024	9.2
119.08593	100.0
121.06532	2.5
121.10152	53.6
123.08136	5.3
123.11719	14.1
125.06011	3.5
125.09697	5.1
126.40310	1.5
128.06265	2.5
129.07050	4.8
130.07809	3.4
131.08577	34.8
133.10138	72.2
135.08130	5.7
135.11714	32.5
137.09645	4.6
137.13290	3.3
139.11215	3.0
142.07866	4.4
143.08577	17.0
144.09387	3.9
145.10135	66.9
147.08124	1.8
147.11697	63.9
149.09650	3.0
149.13274	18.6
151.11258	5.5
153.09143	3.8
155.08595	4.4
156.09447	5.9
157.10135	26.0
158.10985	5.2
159.11710	65.5
160.12294	2.1
161.09651	2.4
161.13260	20.8
163.07706	2.1
163.11214	8.5
163.14844	19.2
165.09148	2.5
167.08672	1.7
169.10117	8.0
169.18268	1.5
170.10942	8.4
171.11703	25.1
171.12921	1.7
172.12521	3.4
173.09839	1.8
173.13287	33.5
173.14673	2.5
174.13802	1.9
175.11319	6.5
175.14856	16.9
175.16054	1.5
177.12808	12.2
177.16380	11.6
179.14407	2.9
181.10220	2.5
182.10995	2.5
183.11691	11.5
184.12515	2.7
185.13281	29.4
185.14838	1.9
186.14023	2.5
187.14835	69.3
189.12915	4.6
189.16397	51.3
191.14452	5.5
191.18036	4.6
193.12372	2.0
193.15988	1.9
195.11789	5.0
195.13788	2.3
197.13287	8.7
199.14832	22.5
201.12827	2.7
201.16393	49.3
203.14386	6.5
203.17915	10.5
205.15916	26.7
205.17589	2.0
205.19466	1.8
207.11748	2.1
207.17558	5.6
209.13329	3.9
209.15363	2.4
211.14929	7.1
213.16396	32.5
213.18333	2.1
215.10828	1.8
215.14423	5.0
215.17941	14.4
217.12425	2.6
217.15999	6.9
217.19699	4.3
219.17615	6.8
221.13428	2.3
223.14932	4.9
225.16422	7.4
227.17941	11.2
229.15952	3.5
229.19655	3.1
231.13950	2.0
231.17412	7.5
235.17055	3.5
237.16585	3.9
239.18076	4.3
241.19618	5.4
243.17462	2.7
243.21214	3.3
245.19200	4.6
249.18657	4.2
251.17972	2.3
253.19640	3.8
255.21237	5.5
259.20667	2.9
265.19617	2.9
267.21094	3.0
269.22754	3.8
271.20633	2.0
283.17648	3.1
283.20547	14.9
301.21799	4.5
307.24338	2.5
315.23273	3.2
319.24356	2.7
319.86127	1.9
333.25800	2.6
335.27472	3.1
337.25348	3.0
341.24722	1.9
351.26907	2.5
355.26523	2.2
379.26324	2.2
389.32053	9.0
407.33139	51.3
407.38245	3.3
408.33600	2.7
417.31949	2.9
425.34393	3.5
435.32870	26.4
453.33923	91.9
454.34177	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
52.75206	2.3
55.05502	7.8
55.54406	2.3
57.07066	4.6
58.02753	2.2
58.03709	2.1
67.05517	12.0
69.07058	15.8
69.46085	14.0
69.46497	4.8
69.94711	2.1
72.05708	2.1
73.45673	2.3
79.05485	11.8
81.07063	24.9
83.04977	2.7
83.08595	6.3
91.05480	21.5
93.07049	31.1
94.49944	2.2
95.08609	45.5
98.21548	4.2
99.08080	7.4
105.07034	44.4
107.08601	47.8
109.10159	21.8
111.08053	3.3
116.23436	2.1
117.07019	9.9
119.08585	100.0
120.08940	2.7
121.06380	2.5
121.10154	39.5
123.11702	10.0
129.07059	3.3
130.07780	4.3
131.08565	34.2
133.10141	57.4
135.08041	2.6
135.11673	23.1
137.09663	3.3
137.13242	4.9
143.08582	9.5
144.09375	4.4
145.10139	67.3
147.11700	38.3
149.09581	2.5
149.13264	8.7
156.09419	2.8
157.10103	11.0
158.10913	3.9
159.11702	57.7
160.12131	2.5
161.13272	21.1
163.11203	14.5
163.14854	13.5
163.16061	2.9
171.11633	13.0
173.13278	28.7
175.11186	2.7
175.14844	21.7
177.12694	5.8
177.16403	20.2
179.14267	2.3
183.11720	4.4
185.13255	8.8
186.14023	2.3
187.14835	69.9
189.16391	69.9
191.14247	3.2
195.11626	2.5
197.13348	4.0
199.14775	11.2
201.16383	79.2
203.14363	3.8
203.18004	14.7
205.15883	56.6
207.17441	8.0
211.14842	2.7
213.16367	19.8
215.17912	9.0
217.15817	4.5
217.19443	4.2
219.17451	6.6
225.16350	2.8
227.17934	8.7
229.15840	4.6
231.17474	3.8
241.19463	2.9
247.17047	13.0
267.20984	2.9
347.48825	2.5
389.31985	5.7
407.33090	35.7
409.34985	4.2
435.32724	15.8
453.33884	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33230	1.4
53.03936	1.4
55.01868	2.5
65.06244	1.3
69.03403	1.5
71.22076	3.2
73.02872	1.6
78.04733	1.3
78.83210	1.5
79.05501	7.3
83.01311	1.3
85.02911	2.5
91.05483	16.6
93.03400	3.7
93.07041	5.3
95.04980	1.7
103.05475	17.8
105.07052	7.1
106.04189	6.7
107.04962	32.2
115.05417	3.2
117.03324	1.4
117.06956	2.0
118.04140	1.6
119.04995	4.0
121.06508	15.2
121.10146	1.8
123.04388	2.6
125.05971	3.3
128.06242	1.5
129.07028	4.8
131.04947	12.6
131.08559	2.8
132.05705	6.3
133.06522	2.1
134.03609	1.8
135.08034	6.7
137.05986	10.6
146.07257	3.1
148.05205	5.9
149.05998	19.2
151.07541	5.7
153.01840	5.2
153.05536	1.7
153.09157	2.0
157.06500	3.3
160.05209	2.6
161.06001	81.7
161.09607	19.2
163.03883	1.6
163.07552	43.9
165.05478	4.8
166.06255	2.7
167.07040	44.5
169.12282	3.4
174.06770	3.5
175.07539	6.4
177.05516	16.3
177.09143	2.6
179.07028	6.7
180.07813	15.9
181.08609	30.4
182.09361	2.6
189.09129	52.4
191.07033	25.1
192.07805	11.9
193.08563	3.0
207.10181	100.0
208.10526	1.6
209.08109	38.8
210.08804	2.0
219.10248	3.2
225.09216	1.7
285.11121	3.3
315.12335	2.2
317.13843	3.5
327.12302	2.4
341.14063	6.8
343.15396	8.4
355.15167	1.9
361.16470	22.3
373.16443	8.1
453.00986	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	452.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01868	6.6
56.20463	1.3
59.94527	1.3
62.06099	2.1
65.03932	2.5
66.07037	1.2
70.10084	1.4
71.48502	2.2
77.03915	2.5
78.04707	3.1
79.05470	5.1
83.01335	2.5
85.02873	3.9
89.03878	1.7
91.05484	18.8
93.03417	3.7
93.07035	6.2
95.04945	2.9
103.05466	21.8
105.04510	1.7
105.07028	9.1
106.04181	6.7
107.04963	47.2
115.05458	4.0
118.04133	3.0
119.04934	7.6
121.06503	13.3
123.04414	5.9
124.03974	1.9
124.05157	1.6
125.06025	3.0
127.03918	1.5
129.07027	5.0
131.04929	16.7
131.08583	3.6
132.05693	3.6
133.02835	1.9
133.06514	3.5
134.03592	2.8
135.04439	2.0
135.08054	7.0
137.05992	9.6
145.06471	2.7
146.03612	1.8
146.07231	3.6
147.04390	4.1
148.05157	6.0
149.05991	18.4
151.07533	4.8
153.01836	7.3
153.05400	2.7
153.09100	3.5
157.06500	2.6
159.04465	2.4
160.05241	1.5
161.05989	81.0
161.09593	18.0
163.03868	2.9
163.07555	45.0
165.05450	4.6
167.07045	46.7
174.06766	2.8
175.07622	7.6
176.04695	1.4
177.05458	15.7
179.07034	6.9
180.07802	15.1
181.07109	3.0
181.08617	34.3
189.09105	55.2
191.07040	25.5
191.08626	2.8
192.07806	17.2
193.08578	2.2
200.10008	1.4
207.10175	100.0
209.06084	2.2
209.08075	36.7
209.09958	2.3
210.08656	3.8
210.83513	1.7
217.03471	1.6
219.10187	4.7
268.08328	1.9
285.11139	2.8
287.02023	2.7
287.05569	1.9
288.05844	3.0
289.06070	2.3
290.06305	5.0
314.11407	1.8
315.12332	2.2
317.13892	4.4
323.01736	1.8
329.13861	2.5
341.13940	7.7
343.15332	5.7
355.15671	1.9
361.16425	17.8
373.16583	8.3
407.00211	2.1
434.99692	3.4
453.00937	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	451.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96465	1.1
52.67706	1.2
55.05504	4.7
57.07081	24.4
61.91704	1.2
65.18993	1.1
67.05493	3.8
69.07062	7.6
70.04113	1.4
71.05811	2.0
71.06132	1.2
71.08629	17.4
79.05504	1.4
81.07063	8.5
83.08614	6.8
85.10172	10.5
89.06052	1.6
90.23557	1.1
91.05476	3.0
95.08618	10.1
97.10188	3.9
105.03400	14.4
109.10175	3.3
111.11729	1.8
123.11794	1.4
125.00542	1.1
128.06238	3.7
129.06995	5.9
131.04913	1.6
131.08588	7.8
133.02870	4.5
133.08644	1.4
137.13275	1.4
141.07011	3.5
142.07806	1.7
143.08585	4.9
145.06485	2.5
147.04414	4.1
151.14758	1.6
152.06244	1.5
153.07025	4.7
155.08572	1.8
157.06496	10.2
157.10130	2.8
159.04468	2.2
159.08076	9.4
161.06004	2.7
165.06934	2.2
166.07825	1.3
167.08588	5.3
169.06468	1.7
169.10118	1.9
171.08064	20.0
173.06026	4.4
174.17490	1.2
179.08623	2.7
180.09315	1.2
181.06535	2.5
181.10153	4.9
183.08060	2.2
185.06026	2.0
185.09627	23.7
187.07550	100.0
193.10214	1.7
194.07420	2.3
195.08107	5.3
195.11728	3.5
196.08946	1.3
197.09636	17.4
198.06801	2.8
199.07567	15.7
199.11201	2.0
201.09108	1.9
208.08882	3.1
209.09663	8.5
209.11363	1.4
210.10361	1.5
211.07654	2.4
211.11179	8.3
212.08362	1.7
213.09120	11.0
213.12596	1.1
223.11165	8.9
225.09207	4.0
225.12720	7.9
226.09912	2.4
227.10672	11.3
237.12761	4.2
239.14482	2.2
241.12248	9.6
251.14340	2.4
255.13809	1.8
257.26276	1.4
287.05350	1.2
311.20071	1.4
325.21658	1.6
339.23233	2.6
367.26361	1.4
381.27805	1.7
393.31540	1.6
395.29410	1.7
433.34732	4.8
436.33142	2.4
451.35779	51.9
452.36301	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3211
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03947	5.0
55.05517	19.9
56.81775	2.2
57.07083	3.7
64.82265	2.5
65.03946	3.5
67.05507	23.3
69.03433	3.2
69.07076	21.0
69.49841	17.9
79.05510	22.8
81.07057	36.0
83.04977	12.9
83.08630	9.2
84.01556	2.2
84.27664	2.3
91.05483	31.0
93.07047	38.2
95.04966	6.4
95.08614	58.0
97.06548	17.5
97.10194	5.6
105.07040	60.7
105.07708	4.3
107.04982	5.4
107.08609	55.5
109.06537	7.0
109.10169	26.7
111.08108	7.1
117.07003	11.9
119.05009	2.9
119.08590	80.7
121.02947	3.3
121.06577	4.3
121.10163	35.1
123.04452	8.4
123.08076	4.1
123.11702	11.9
125.09640	3.5
128.06206	5.1
129.07047	8.8
131.08571	36.0
133.06488	3.9
133.10146	55.6
133.11099	3.2
135.08083	8.5
135.11717	14.3
137.06009	18.3
137.09639	6.7
137.13268	3.4
141.07010	3.0
142.07805	6.7
143.08580	23.0
144.09338	4.3
145.10139	65.2
147.04448	6.7
147.08066	5.5
147.11714	38.9
149.13269	13.0
151.11209	3.3
155.08585	7.2
156.09412	4.9
157.10133	34.1
158.10899	4.0
159.08101	3.1
159.11699	47.5
159.12885	3.6
159.73087	2.3
161.06021	3.4
161.09727	8.6
161.13295	20.6
163.03947	13.5
163.11191	5.1
163.14838	16.4
169.10188	8.4
170.10930	4.8
171.11707	26.1
172.12541	2.7
173.02425	4.4
173.09674	6.8
173.13266	41.2
173.14685	3.5
175.11218	16.1
175.14835	45.9
177.12854	6.7
177.16405	17.2
179.10683	3.9
181.10136	3.4
183.11736	14.9
185.13272	26.9
187.11273	4.7
187.14832	69.2
189.12827	3.1
189.16394	23.5
191.14369	5.1
193.15891	3.8
197.13383	8.2
199.14816	26.0
201.12672	4.3
201.16383	56.9
203.14325	26.7
203.17986	36.7
203.19736	2.7
205.15933	16.3
209.13220	5.7
211.14737	11.3
213.16406	25.2
215.07082	7.1
215.14381	8.5
215.18034	9.7
217.15860	11.5
219.17491	4.7
221.15642	3.9
223.14902	5.2
225.16531	5.2
227.14302	3.6
227.18028	7.0
229.15982	12.1
229.19620	6.9
231.17519	7.0
231.21091	5.3
233.15530	4.0
233.18912	3.0
235.16965	3.7
239.18057	6.3
241.19586	5.8
243.17542	5.5
245.15491	4.8
247.14793	2.7
247.16978	12.1
251.17937	4.2
253.19588	8.3
257.19260	3.3
259.09659	22.5
267.21255	2.6
269.19070	2.8
285.18613	4.8
287.05499	8.6
288.05969	7.8
289.06015	17.2
291.21191	3.1
297.03925	5.6
298.04395	10.7
299.04437	17.0
299.09305	5.4
341.25189	2.9
387.30511	11.4
393.28122	2.8
405.31598	51.3
407.33249	7.1
415.30148	2.8
421.31042	5.3
423.32797	6.8
433.31049	25.7
451.09534	16.1
451.15143	3.3
451.32242	100.0
452.32538	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	451.3208
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03953	5.2
55.01874	3.4
55.05512	22.8
57.03438	2.2
57.07077	9.1
62.05141	1.5
65.03945	3.3
66.67330	1.6
67.05511	22.6
69.03444	6.3
69.07068	26.3
69.50551	5.6
69.50982	6.6
71.05008	2.6
71.08628	1.6
74.82452	1.7
77.03899	2.0
79.05064	3.0
79.05494	24.3
79.05928	2.6
81.03414	5.1
81.07063	51.8
83.04996	7.0
83.08618	15.4
85.02919	2.6
85.06562	3.4
91.05486	34.9
91.06020	2.6
93.07047	54.3
94.84785	1.7
95.04971	8.2
95.08611	71.4
97.02894	2.5
97.06532	15.1
97.10179	7.9
98.21568	2.0
99.08108	7.1
103.05466	2.1
105.06324	3.3
105.07034	61.4
107.04979	6.2
107.08598	86.1
109.06554	6.2
109.10164	41.5
111.08081	10.6
115.05455	2.7
117.07040	13.6
118.07870	1.6
119.08585	95.3
121.06546	5.1
121.10146	60.9
123.08099	8.4
123.11703	20.8
125.05997	2.4
125.09660	3.9
128.06276	5.0
129.07050	7.1
130.07837	4.0
131.08569	47.0
133.06567	2.5
133.10135	65.1
135.08095	7.1
135.11696	31.5
137.05949	9.1
137.09657	6.1
137.13271	4.5
139.03922	2.0
139.11189	3.0
141.07039	3.0
142.07819	8.7
143.08568	26.0
144.09372	5.6
145.10130	85.8
147.08080	3.2
147.11685	32.9
149.09666	3.4
149.13290	18.2
151.07623	2.3
151.11197	5.2
151.14868	2.2
153.09138	1.6
155.08597	5.8
156.09404	7.1
157.10130	40.9
157.11288	2.1
158.10962	6.5
159.08127	2.5
159.11688	63.8
161.09648	5.2
161.13271	26.7
163.03998	4.7
163.07576	3.6
163.11223	14.5
163.14824	12.5
165.12794	3.0
165.57510	1.7
167.08620	3.2
168.09482	1.8
169.10144	11.9
170.10927	8.1
171.11685	29.0
171.12978	2.3
172.12395	2.1
173.09683	5.3
173.13266	47.0
173.14690	2.6
174.51056	1.8
175.11310	4.4
175.14838	32.4
175.16263	2.2
177.09196	2.0
177.12769	8.4
177.16405	25.6
181.10210	5.5
182.10901	2.1
183.11710	18.9
184.12514	4.8
185.13263	35.1
186.13925	2.2
187.11247	2.9
187.14830	60.7
189.09143	3.5
189.12793	4.4
189.16379	23.6
191.10643	2.3
191.14407	5.8
191.16461	1.8
191.17931	8.3
193.10181	3.1
193.15942	2.5
195.11789	7.3
196.12535	3.4
197.13283	12.3
199.11229	2.2
199.14827	57.4
199.16579	3.3
201.12866	3.9
201.16393	55.1
203.10718	2.2
203.14406	7.1
203.18027	7.6
205.15881	73.0
207.11804	2.3
207.17438	3.2
209.13380	6.4
211.11243	2.0
211.14839	11.7
213.12904	2.4
213.16397	22.1
215.14348	8.4
215.17966	11.1
217.12306	2.0
217.15875	8.5
217.19632	1.9
219.13933	3.0
219.17436	13.2
221.13426	2.7
223.14902	5.2
225.16481	6.3
227.18030	6.1
229.15962	7.0
231.14070	2.7
231.17506	4.3
233.13460	1.9
233.15338	8.0
233.19058	2.2
235.14870	3.4
235.17000	2.0
237.16545	5.0
239.18127	5.2
241.19446	9.7
245.15343	8.4
247.17078	2.4
249.16374	2.0
251.18077	3.0
253.19617	6.9
255.21080	2.1
257.19217	2.8
259.09656	9.0
265.19543	2.5
267.21127	4.1
277.19638	1.9
281.19147	2.0
285.18640	2.1
287.05609	3.4
288.05899	3.3
289.06152	7.2
291.21060	3.4
299.20419	2.2
317.22476	2.7
331.24399	2.1
333.25745	2.6
349.25723	2.4
377.32156	2.7
387.30762	8.0
389.32190	2.2
393.28030	2.5
399.16928	2.7
405.31549	45.3
407.33304	5.9
415.29385	5.0
423.32913	6.1
433.31155	23.9
451.32248	100.0
452.32327	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	451.3207
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03942	3.6
55.05512	7.9
57.07090	2.7
65.03955	1.7
67.05508	12.3
69.07074	9.3
69.66893	7.7
69.67312	3.0
79.05492	15.1
81.07050	17.7
83.04996	1.9
83.08603	4.0
85.06546	4.0
91.05475	15.0
91.74673	1.5
93.07053	25.9
93.55824	1.7
95.08614	28.0
95.09181	2.2
97.06540	6.6
97.10189	2.1
99.08091	18.7
102.96755	1.8
105.07037	33.5
107.08598	48.9
109.10156	26.8
117.07023	7.9
119.08589	49.1
121.10162	23.0
123.08088	4.4
123.11741	6.8
125.09602	1.8
128.06241	2.5
128.30434	1.9
129.07047	5.5
130.07817	2.0
131.08566	22.5
133.10136	51.9
135.07993	2.2
135.11673	12.3
137.05952	2.7
137.09644	2.6
141.07039	2.4
142.07793	5.0
143.08553	20.2
144.09447	4.0
145.10138	29.3
147.11687	28.3
149.09666	2.6
149.13287	5.4
151.11241	2.0
153.07130	2.2
155.08574	4.5
156.09361	8.8
157.10141	28.8
158.10941	3.8
159.11697	32.4
160.25439	1.7
160.30017	1.8
161.13242	16.8
163.03903	2.3
163.11214	3.3
163.14857	3.9
167.08577	2.8
169.10179	12.7
170.10829	7.9
171.11717	23.1
173.13255	25.6
175.11203	3.4
175.14841	12.6
177.12749	3.1
179.14372	1.9
181.10185	3.5
182.10919	4.4
183.11705	20.4
184.12517	5.2
185.13280	35.1
186.76106	1.8
187.14798	25.7
189.16449	7.2
191.14316	3.2
193.10172	3.8
193.15958	1.8
195.11740	7.9
196.12491	3.9
197.13280	22.9
199.14838	27.0
201.12830	3.1
201.16389	18.8
203.14258	3.0
203.17957	3.0
205.15910	10.0
207.11723	3.2
208.12537	3.8
209.13284	9.6
211.14818	10.8
213.16420	22.7
215.18071	4.9
217.15775	3.0
219.13690	2.4
221.13269	5.7
223.14844	10.1
225.16447	10.8
227.18015	7.7
229.15932	2.7
231.17569	2.1
235.14812	3.2
237.16420	5.3
239.17973	6.6
241.19609	6.7
247.81923	1.8
249.16359	2.6
251.18022	6.8
253.19756	2.2
257.18875	1.8
259.09747	3.0
259.17303	2.1
261.16354	3.9
263.17950	2.9
265.19489	11.7
269.18912	4.2
277.19617	4.0
283.20621	7.7
285.22034	2.3
289.06091	2.4
291.21323	4.8
293.22745	2.0
295.20786	2.3
297.22049	2.6
317.22314	2.0
333.25790	11.5
335.23621	2.4
387.30563	4.7
405.31586	48.6
407.33078	1.9
415.30487	2.7
423.32697	4.2
433.31281	10.6
451.32166	100.0
452.32584	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.321
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03942	5.6
53.54204	1.7
55.01864	2.8
55.05521	14.7
57.03449	2.9
57.07064	3.6
65.03933	2.5
67.05509	19.0
69.03439	7.4
69.07073	19.2
70.15852	6.7
71.05013	2.3
79.05514	17.9
81.03420	3.7
81.07060	32.5
83.04978	4.6
83.08624	7.4
85.02906	4.8
87.00842	2.9
91.05482	26.5
93.07046	35.7
95.04979	22.7
95.08620	54.2
97.02890	2.4
97.06536	18.4
97.10220	4.3
99.08106	3.1
105.07044	62.1
107.08600	60.8
107.09319	3.9
109.02908	2.2
109.06546	7.6
109.10156	26.3
111.08107	6.8
115.05502	3.1
117.07032	10.2
119.08594	81.3
121.06499	2.3
121.10142	31.1
123.04434	2.8
123.08116	7.4
123.11716	9.5
124.56796	2.1
125.09644	10.6
128.06184	2.7
129.07021	7.4
129.99783	1.9
130.07843	3.1
131.08577	36.2
133.10150	61.4
135.04439	2.6
135.08073	5.7
135.11676	10.1
137.06029	6.0
137.09587	3.8
141.07042	2.2
142.07796	7.2
143.08556	15.5
144.09384	5.8
145.10135	57.7
147.04407	1.9
147.08022	2.3
147.11705	41.4
147.12830	3.4
149.09653	3.6
149.13246	10.4
150.00478	2.2
151.11252	3.4
155.08604	7.2
156.09402	6.4
157.10162	23.8
158.10960	3.4
159.08102	2.2
159.11710	45.5
161.02405	2.4
161.09666	4.0
161.13268	19.9
163.03889	13.6
163.07536	2.6
163.11189	2.7
163.14902	10.5
167.08542	2.1
169.10204	8.5
170.10924	2.6
171.11729	21.4
172.12416	3.1
173.02412	5.0
173.09668	4.3
173.13278	35.8
175.11264	5.5
175.14839	30.3
177.09099	2.8
177.12804	4.9
177.16412	10.7
179.10681	3.2
183.11671	9.9
184.12497	3.2
185.13298	17.6
186.13936	2.1
187.14851	34.2
189.12823	4.0
189.16409	24.1
191.10687	2.6
191.14384	6.8
191.18030	3.1
195.11707	3.8
197.13252	11.3
198.14120	2.3
199.14845	35.1
199.16626	3.0
201.12682	3.0
201.16394	87.9
203.14337	17.2
203.17973	27.6
205.12289	2.8
205.15909	18.8
207.11778	2.4
207.13824	2.1
208.70538	1.9
209.13306	5.1
211.14862	8.2
213.16414	19.6
215.07033	5.6
215.14331	5.4
215.17949	12.5
217.15863	11.9
219.17471	5.3
223.14798	5.6
225.16428	7.4
227.17996	8.8
229.15944	7.1
231.13914	3.0
231.17538	8.8
239.18085	6.4
241.19606	6.5
243.13889	2.9
243.17537	5.9
245.15482	5.4
247.16942	24.1
251.18027	2.6
253.19673	7.0
255.21049	2.3
259.09714	26.4
259.17062	4.2
261.14877	2.3
265.19562	4.6
267.21063	4.4
279.21182	2.3
281.22733	2.1
285.18463	2.3
287.05609	4.2
289.06119	4.7
289.14114	2.9
299.20065	4.3
305.22720	3.1
311.20209	3.6
313.44641	2.1
317.22583	2.9
318.75024	2.4
335.23932	2.7
341.24832	2.4
387.30634	9.2
393.27734	2.7
405.31589	48.2
407.33322	6.3
423.32507	4.4
433.31308	22.3
451.23053	4.1
451.32220	100.0
452.32071	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	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03933	1.8
55.05502	7.8
57.07067	3.3
67.05504	11.3
67.97648	1.5
69.03430	2.0
69.07071	12.0
69.39373	13.6
77.90928	1.8
77.91671	1.9
79.05503	12.6
81.07057	21.5
83.08633	7.1
91.05494	14.5
93.07053	24.9
95.08615	26.6
97.10197	2.5
98.20839	3.8
99.08130	4.2
105.07040	67.1
107.08607	38.9
109.10160	17.5
117.07053	4.4
119.08588	46.5
119.09383	3.5
119.16769	1.7
121.06550	1.9
121.10160	49.3
123.08072	2.0
123.11690	8.9
128.06252	2.0
129.07034	3.8
131.08582	21.9
133.10138	30.2
135.08052	7.4
135.11682	20.3
137.09605	4.0
142.07780	3.1
143.08578	11.7
144.09331	2.6
145.10132	30.7
147.11690	18.2
149.09625	18.3
149.13258	12.9
151.11203	3.5
155.08578	3.6
156.09402	3.2
157.10158	15.2
159.11717	21.1
161.09709	2.6
161.13257	14.3
162.73186	1.8
163.14819	7.9
169.10147	5.0
170.10831	1.9
171.11688	16.1
173.09589	2.4
173.13283	28.5
175.11189	2.5
175.14839	40.3
175.16315	3.0
177.12762	7.4
177.16380	7.3
182.10977	2.5
183.11734	6.4
185.13309	9.6
187.14838	23.1
189.12750	2.4
189.16399	14.5
191.14352	7.8
193.15857	5.3
195.11749	3.1
196.12526	2.4
197.13290	6.3
198.13866	1.9
199.14809	10.9
201.12753	2.1
201.16417	18.1
203.17989	7.6
205.15941	3.0
209.13205	4.2
211.14853	6.4
213.16377	24.2
215.14355	4.8
215.17998	19.7
217.15909	7.5
219.13943	2.2
223.14778	2.5
225.16420	6.8
227.18001	6.2
229.15906	6.1
229.19464	4.9
231.17441	15.9
235.14789	2.3
237.16527	3.0
239.18015	2.4
241.19521	5.8
243.17661	2.7
247.17015	2.0
257.19000	16.8
265.19427	2.8
267.18228	1.6
267.21161	6.3
269.18982	6.4
269.22696	4.3
281.19012	1.8
283.20700	3.0
289.05905	2.0
291.21378	2.3
310.42880	2.0
333.25595	2.9
363.26761	3.2
377.32324	2.4
387.30457	13.3
389.32260	2.5
405.31555	81.8
407.33118	4.8
423.32739	4.7
433.31110	30.0
451.32132	100.0
452.32062	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3208
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03946	2.9
55.05517	8.0
57.07076	2.9
65.03930	1.8
65.62031	1.4
67.05506	12.4
69.07079	12.4
69.17609	15.6
79.05485	14.2
81.07063	23.7
83.08622	5.2
85.06548	2.6
89.64594	1.4
91.05476	18.6
93.07050	23.8
95.04993	1.4
95.08614	30.2
96.63451	1.9
97.06526	2.8
97.10181	1.9
98.21603	1.7
99.08102	15.8
103.05459	1.9
105.07037	36.0
107.08601	54.2
109.06592	1.7
109.10168	32.8
111.08086	1.8
113.06125	1.3
116.06197	1.9
117.07053	7.1
119.08583	54.7
121.06520	1.9
121.10156	26.7
123.08118	4.1
123.11711	8.2
127.07602	1.7
128.06245	2.5
129.07050	6.3
130.07787	2.1
131.08569	25.9
133.10139	51.6
133.11107	3.3
135.08070	2.4
135.11697	14.0
137.09610	2.8
141.07011	2.6
142.07800	5.1
143.08594	16.0
144.08133	1.7
144.09358	3.6
145.10129	37.0
147.11694	30.1
149.09644	1.8
149.13303	8.3
151.11203	1.6
153.09093	1.8
155.08578	6.9
156.09398	7.5
157.10143	26.5
158.10945	3.5
159.11708	38.3
161.09631	1.7
161.13263	15.3
163.11189	2.4
163.14888	3.5
165.07153	1.7
167.08624	3.7
168.09282	1.8
169.10074	11.1
170.10902	10.0
171.11708	30.6
173.13264	27.8
175.14825	13.5
177.12814	3.5
177.16428	3.4
179.14264	1.5
181.10223	5.8
182.10938	6.9
183.11690	24.2
184.12524	2.9
185.13271	31.5
187.14828	30.3
187.16472	2.0
189.16437	8.7
191.14297	2.2
191.17946	2.0
193.10109	2.4
195.11768	5.8
196.12526	2.4
197.13277	22.3
198.14066	3.3
199.14809	30.7
201.12740	3.2
201.16380	19.5
203.14326	2.6
203.17863	1.6
205.15901	9.7
207.11774	6.2
208.12561	1.6
209.13289	8.4
211.14758	9.6
213.16373	28.3
215.14357	3.5
215.18036	6.7
217.15927	5.2
219.17416	1.9
221.13388	4.4
223.14825	10.5
225.16414	13.0
227.18098	7.0
229.19521	1.9
231.17297	2.1
235.14864	5.5
237.16525	4.5
239.18018	5.6
241.19614	5.9
245.15454	2.5
247.14822	3.7
249.16425	3.0
251.18025	4.4
253.19635	3.5
257.19012	2.4
263.18024	4.9
265.19589	14.6
267.21143	1.6
269.18927	3.0
275.18173	1.8
277.19617	4.5
279.21002	2.3
283.20581	10.6
289.19412	1.9
290.93918	1.5
291.21100	4.3
293.22662	3.3
295.20651	1.5
303.21335	2.1
312.32608	1.6
315.19775	2.7
317.22711	4.0
333.25659	12.0
335.23706	3.4
349.25400	3.0
351.27078	3.8
363.27066	2.8
377.28278	1.9
381.24350	3.1
387.30646	5.8
389.00024	1.6
405.31625	47.6
415.30075	2.2
423.32666	5.6
433.31189	13.5
451.32217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
50.95557	2.4
55.05519	13.3
57.07069	4.1
59.55113	2.0
63.33724	2.0
65.03902	2.0
67.05518	18.1
68.68130	1.9
69.03399	2.6
69.07064	19.6
69.48554	3.8
69.48958	11.0
73.83575	2.3
79.05493	16.4
81.07057	32.4
83.04965	4.2
83.08627	9.3
91.05493	23.3
93.06490	3.6
93.07047	40.0
95.08614	49.4
97.06537	3.4
97.10180	3.0
105.07033	47.6
107.04972	4.3
107.08600	68.1
109.06499	2.7
109.10168	30.5
111.08106	5.0
117.07014	9.5
119.08588	100.0
121.06547	3.3
121.10144	56.5
123.08050	5.7
123.11738	18.1
125.09584	3.1
126.92388	2.0
129.07010	3.6
130.07753	2.6
130.27104	2.3
131.08582	38.3
133.09145	2.9
133.10146	56.7
135.08060	5.2
135.11699	37.0
137.09732	2.0
137.13226	4.4
142.07785	5.0
143.08592	13.3
144.09322	3.5
145.10127	81.7
147.11697	33.5
149.09653	3.8
149.13283	16.8
151.11223	3.1
155.08571	4.0
156.09360	7.3
157.10139	39.9
158.10942	6.9
158.28320	2.6
159.11708	55.7
159.13034	2.7
160.12251	2.8
161.09561	3.1
161.13249	26.5
163.07603	3.5
163.11198	11.6
163.14864	8.8
165.12782	2.3
169.10175	9.8
170.10927	6.8
171.11705	23.2
172.12393	5.4
173.13272	37.9
175.11311	3.5
175.14838	42.7
177.12717	5.7
177.16374	23.5
181.10120	2.4
183.11729	8.4
184.12531	4.8
185.13301	22.9
187.14848	53.2
189.16350	21.2
191.14400	3.0
191.18130	5.0
193.10236	2.5
193.12172	2.1
193.16000	2.9
195.11711	3.7
197.13290	7.7
199.14833	53.3
201.16396	54.0
203.14297	3.8
203.17986	4.8
205.15887	78.9
207.11861	2.4
207.13838	2.7
207.17525	2.6
209.13275	3.4
211.14780	5.4
213.16406	13.9
215.14395	5.9
215.17995	16.5
217.15919	6.1
219.17418	13.6
221.15353	3.0
223.14874	4.9
225.16283	2.9
227.17946	7.7
229.15802	4.1
229.19521	3.7
231.17439	6.4
233.15338	6.2
233.19138	3.8
237.16391	3.0
239.18015	5.1
241.19562	5.9
245.15387	9.3
247.16988	2.5
253.19633	5.6
259.20767	2.3
267.21164	2.8
387.30551	7.3
405.31531	45.4
407.33069	6.0
421.31088	3.7
423.32672	4.0
433.30911	18.0
451.32117	74.1
452.32025	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03938	3.3
55.05513	12.0
67.05514	18.1
69.07079	19.9
69.56039	14.7
74.35483	2.6
77.86198	2.1
79.05499	16.0
81.07061	35.8
83.04960	4.0
83.08617	7.4
91.05477	21.0
93.07048	36.6
95.04980	20.8
95.08611	49.3
97.10169	4.6
98.21496	4.8
102.23023	2.1
105.07040	41.5
107.08604	56.6
109.06529	5.3
109.10168	27.7
111.08115	4.2
117.07023	9.0
119.08585	77.1
121.06558	3.1
121.10152	40.4
123.08069	7.2
123.11727	12.0
125.09628	8.3
129.07039	6.7
131.08571	24.0
133.10141	53.3
135.11688	16.3
137.09666	4.5
141.07077	2.4
142.07816	4.7
143.08549	13.2
144.09462	4.4
145.10147	51.3
147.08060	2.9
147.11716	26.9
149.13304	10.2
151.11174	3.9
153.09131	4.0
155.08586	7.9
157.10121	23.3
159.08154	3.3
159.11688	43.4
159.12904	3.7
161.09584	2.8
161.13283	21.5
163.14856	8.6
165.12682	2.8
169.10091	11.6
170.10909	3.5
171.11714	17.7
173.09727	2.8
173.13284	32.2
175.14845	22.7
177.12903	2.8
177.16428	5.7
181.10153	3.5
183.11792	13.0
185.13272	15.5
187.14804	30.3
189.16382	19.0
191.14326	4.5
191.18091	3.7
195.11674	5.7
196.46559	2.7
197.13295	10.5
199.14833	37.1
201.12740	2.7
201.16406	51.4
203.14326	10.9
203.17992	9.4
205.15910	8.8
209.13351	3.7
211.14885	8.8
213.16377	18.3
215.14394	6.4
215.18027	11.2
217.15935	8.9
219.17577	4.4
223.14847	6.7
224.15735	2.6
225.16403	7.1
227.17998	6.5
229.15900	5.5
231.17363	5.1
233.15494	2.9
237.16435	3.5
239.17999	6.7
241.19563	9.4
243.17450	3.6
245.15405	7.3
247.16988	10.8
251.18053	3.9
253.19612	9.8
259.17072	5.0
261.14996	3.3
265.19501	3.6
273.18515	3.4
279.20938	3.8
281.22702	3.7
285.18600	2.8
299.20178	6.0
309.22119	3.0
312.07260	2.8
313.21622	3.2
347.27393	2.7
355.26443	4.4
387.30557	9.4
393.28198	5.1
393.55750	2.6
405.31552	50.1
407.33231	4.7
423.32751	4.7
433.31152	26.1
451.32141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.321
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
52.11516	2.6
55.05504	8.4
57.07077	6.7
67.05498	10.2
69.07070	9.9
69.56794	11.6
79.05502	14.9
81.07066	21.1
83.04969	3.4
83.08641	6.3
91.05486	15.8
93.07047	25.5
95.04983	3.2
95.08616	30.6
96.36330	2.7
97.10194	3.0
98.06068	2.3
98.21484	5.6
99.08112	8.2
105.06388	4.8
105.07037	46.0
107.08594	41.9
109.06549	5.0
109.10181	17.7
111.08179	4.0
117.07031	7.5
119.08590	65.3
121.06557	2.6
121.10146	24.7
123.08060	4.6
123.11729	4.0
129.07033	7.5
130.00580	8.0
130.07805	4.0
131.08588	20.9
133.10150	34.7
135.08060	19.0
135.11688	16.4
137.09598	5.4
138.01089	4.1
141.06993	3.5
142.07774	15.9
143.08574	18.8
145.10126	46.0
147.08107	2.3
147.11707	27.3
149.09636	4.4
149.13312	5.7
155.08551	6.0
156.09372	10.3
157.10150	45.5
158.10977	5.0
159.08121	3.9
159.11708	34.8
160.08891	3.4
161.09593	14.7
161.13277	14.7
163.14882	8.4
169.10158	10.4
170.10921	11.3
171.11699	36.0
172.12466	6.5
173.09668	7.6
173.13269	35.9
175.11223	22.2
175.14832	31.1
177.00952	9.9
177.12848	3.4
177.16389	7.2
178.16521	3.0
183.11687	11.9
184.12471	17.0
185.13208	17.1
187.11147	4.8
187.14838	40.8
189.12807	8.4
189.16428	16.5
191.14339	8.4
194.00066	14.3
195.01935	2.8
195.11797	5.0
197.13232	20.0
199.14832	95.5
199.16599	5.6
200.15338	3.6
201.12881	3.9
201.16399	42.0
203.14320	25.5
205.15942	7.5
209.13380	6.2
211.14835	12.8
213.16396	43.7
215.14299	4.9
215.18059	9.0
217.15887	13.1
223.14958	5.0
225.16441	7.1
227.18045	5.8
229.15952	32.9
231.17473	12.7
237.16405	3.0
239.18044	3.9
243.17511	4.1
247.16963	4.8
251.18127	3.0
254.38013	2.5
263.17941	3.7
265.19739	2.6
283.92343	7.3
289.05966	2.8
301.93091	4.3
331.13260	2.9
333.25821	4.3
370.47336	2.7
387.30508	7.8
405.31558	51.5
407.33380	5.7
423.32565	2.9
427.54321	2.7
433.31088	15.5
450.93762	26.9
451.32169	100.0
452.32645	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	451.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96095	1.0
69.51859	5.7
70.37115	0.8
95.11144	0.8
98.21506	1.8
119.27308	0.8
125.95732	0.9
140.05222	1.0
144.06505	0.8
178.64633	0.8
178.70676	1.0
263.47412	0.9
286.21732	1.0
287.05539	3.1
288.05920	1.8
289.06107	5.4
451.04916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03945	2.3
55.01862	3.1
55.05518	15.1
55.32714	1.1
57.03436	2.6
57.07067	3.8
57.22298	1.3
58.58511	1.2
65.03934	2.0
67.05510	13.4
67.33107	1.2
69.03429	4.4
69.07079	13.8
71.04992	1.1
71.29084	2.6
75.04482	3.3
75.96197	1.3
77.03928	1.4
79.05502	16.5
81.07065	26.1
83.08636	10.2
85.02901	3.4
85.06543	2.5
88.50336	1.4
91.05492	21.0
93.07052	29.6
95.04971	3.5
95.08618	29.7
96.08153	1.6
97.02953	1.4
97.06544	7.7
97.10210	1.5
99.08111	5.4
99.79758	1.3
100.11274	2.7
103.05444	2.6
105.04573	1.4
105.07042	37.3
106.06584	2.5
107.04935	1.6
107.08607	41.7
109.06550	2.9
109.10165	15.8
111.08080	10.0
115.05493	1.8
117.07009	6.3
118.06544	3.2
119.05003	1.2
119.08591	48.3
120.08104	9.8
121.06528	4.1
121.10160	22.8
123.04438	1.4
123.08085	3.7
123.11705	6.7
124.07645	7.3
124.08401	1.5
125.06035	2.0
125.09646	2.8
126.09201	1.8
128.06259	2.7
129.07016	7.4
130.07832	2.0
131.08583	26.8
133.06485	1.7
133.10147	30.9
133.11110	2.1
134.06021	4.8
135.08070	5.4
135.11662	8.5
136.07597	1.9
137.05978	6.7
137.09599	5.5
139.07544	2.3
141.07001	5.5
142.07790	11.1
143.08569	21.4
144.09262	3.5
145.10135	32.9
146.06009	6.5
146.10295	1.3
147.04366	2.0
147.06833	2.6
147.08067	3.7
147.11702	16.8
148.07587	8.7
149.09634	5.5
149.13264	7.9
151.07567	1.9
153.01845	2.8
153.07021	1.7
154.12241	1.5
155.08551	11.1
156.09348	7.2
157.10149	31.0
158.10878	2.5
159.08098	4.2
159.09511	1.6
159.11708	35.8
161.09685	3.6
161.13226	10.8
163.03847	2.4
163.11217	3.5
163.14857	9.5
164.07085	58.1
165.07076	1.9
166.08673	1.8
167.08560	4.8
167.10683	1.6
168.09372	5.2
169.10139	17.3
170.10994	6.8
171.11716	24.9
173.09634	5.4
173.13292	23.2
173.14705	1.7
175.11227	8.5
175.14865	8.4
177.12781	2.6
177.16455	2.2
179.08542	2.0
179.14326	1.3
181.10147	7.0
182.10901	7.8
183.08076	1.6
183.11722	31.6
184.12527	3.2
185.09734	1.4
185.13277	26.6
187.11235	5.3
187.14832	20.8
189.12732	4.9
189.16400	7.1
191.14372	1.8
191.18011	3.0
193.10329	1.8
193.15941	1.5
194.10869	1.9
195.11723	5.6
196.12471	2.5
197.13275	28.3
199.11143	1.5
199.14844	25.1
199.16626	1.9
201.12715	7.4
201.16405	10.1
203.14326	5.7
203.17982	4.0
205.16060	1.6
206.11061	2.3
207.11757	2.7
208.12500	2.0
209.13336	7.4
210.14037	2.0
211.14870	14.7
213.12886	2.3
213.16371	16.9
215.14272	3.8
215.17931	3.0
217.15952	3.8
219.11800	1.7
221.13359	6.1
223.14835	9.4
224.15404	1.3
225.16405	8.0
227.17989	3.6
229.15857	6.7
229.19585	1.8
231.17522	3.9
233.13229	2.8
234.14250	1.8
235.14861	3.2
237.16418	4.4
238.17044	1.4
239.18016	5.5
241.15904	2.5
241.19608	3.4
243.15030	6.4
243.17474	2.6
245.16498	2.5
247.14951	2.0
249.16360	3.8
251.17986	4.1
253.19569	4.8
254.11839	2.2
255.17548	1.5
255.20927	2.1
257.19098	2.7
259.09744	3.0
261.16235	2.8
263.17975	3.4
265.19534	4.0
267.17468	1.4
267.21078	1.5
271.14438	25.3
277.19559	2.6
279.21176	2.0
281.18970	4.5
281.22751	1.5
283.20456	1.4
287.05496	14.9
288.05920	13.6
289.06100	29.9
289.15497	100.0
290.15912	2.9
293.22577	1.8
299.20041	2.0
303.05002	4.6
304.05356	5.1
305.05542	7.2
307.20508	1.3
309.22180	2.4
317.22641	2.6
319.24115	2.0
321.22214	2.7
321.25897	2.4
323.23947	1.5
325.21680	1.8
327.23169	1.8
333.25946	3.2
335.23801	3.0
337.21933	1.7
341.24939	2.2
347.27328	1.7
349.25464	2.6
353.24667	1.9
367.26187	2.8
387.30450	10.4
393.27899	3.0
395.26132	2.2
403.30087	1.7
405.31616	40.3
406.31396	1.5
415.30130	2.5
421.31088	5.0
423.32669	4.5
433.31058	26.8
451.32172	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3629
Annotation	Numersterol A
Peak:m/z	Relative Intensity
50.10585	4.4
52.31356	4.1
54.03927	5.2
55.01854	5.1
55.05502	21.3
57.07079	32.4
67.05497	18.6
69.07072	44.2
71.08633	18.7
71.50390	5.6
79.05492	10.5
81.03394	4.1
81.06651	4.2
81.07048	26.5
83.08620	23.6
85.10187	10.6
91.05478	12.6
93.07049	15.2
95.04982	14.0
95.08611	34.6
97.10168	11.5
98.98457	7.9
99.04446	12.6
105.07076	14.0
107.08604	9.9
109.06512	19.9
109.10159	15.1
111.04452	100.0
111.11726	12.7
113.05999	8.9
119.08627	5.9
121.06508	7.6
121.10117	6.9
123.04440	19.3
123.08086	10.4
125.05984	31.4
130.49414	5.0
131.08591	4.7
131.53491	4.7
133.10103	8.3
135.04420	6.9
135.08101	8.5
137.05986	21.6
137.09570	5.2
139.07509	13.0
147.11702	5.8
151.07591	5.4
153.05470	16.9
155.00943	5.2
157.10159	6.8
161.09654	7.0
163.07544	7.3
165.05493	63.6
171.06581	5.4
175.78770	5.0
177.09340	5.5
183.04158	7.4
183.06561	63.2
217.12225	5.4
287.05551	39.3
288.05164	4.4
385.34631	15.1
389.34241	7.6
403.35706	59.7
413.34085	12.1
431.35251	51.8
449.36264	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
61.02934	4.4
68.99806	0.7
69.03444	0.7
70.04144	1.8
70.04537	1.5
73.02921	0.9
77.46158	0.6
83.69601	0.6
85.02917	5.7
91.03957	2.5
93.03422	0.6
97.02878	3.4
121.02869	3.4
127.03933	0.8
130.41924	0.7
145.05003	0.8
147.04405	1.1
153.01840	5.1
157.06487	1.1
165.01822	2.8
173.80486	0.7
183.02855	1.0
185.06024	1.2
192.14149	0.8
213.05576	1.1
231.06560	1.2
258.05331	1.0
287.05518	100.0
288.05811	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	3.0
57.07042	1.7
67.05501	3.4
69.03413	0.8
69.07075	4.0
70.43946	1.4
74.01795	0.6
79.05474	3.3
81.07062	6.7
83.04932	0.6
83.08606	1.7
85.02879	0.8
91.05481	6.3
93.06572	0.6
93.07040	7.1
95.04963	0.9
95.08605	4.9
102.34820	0.6
103.05419	1.4
105.07032	24.7
107.04892	0.7
107.08591	8.0
109.10176	4.8
115.05445	1.7
117.06963	2.9
119.08583	17.7
121.10147	8.4
123.08047	1.1
123.11684	2.5
124.01565	0.6
127.07522	0.7
128.06190	1.6
129.06940	2.0
131.08580	8.4
133.06482	0.8
133.10132	41.4
134.10442	0.8
135.11700	7.4
137.02315	2.2
139.11119	0.9
141.16457	0.7
142.07834	0.8
143.08560	5.5
144.09372	1.3
145.06485	0.9
145.10127	11.6
147.08063	0.7
147.11705	7.1
149.05904	0.7
149.09572	0.7
149.13254	1.9
152.89079	0.6
153.01794	0.8
155.08488	2.3
156.09358	1.1
157.06432	1.2
157.10098	6.5
158.10963	1.4
159.08154	0.6
159.11668	6.8
161.09612	0.8
161.13252	3.4
163.14778	0.9
167.08521	0.7
168.09351	1.3
169.10175	3.7
170.10867	2.1
171.11691	5.0
172.12550	1.5
173.09563	1.9
173.13228	8.0
175.11249	0.8
175.14821	22.9
177.16551	0.9
178.58972	0.6
181.10115	1.8
182.10907	1.2
183.11662	4.5
184.12384	1.1
185.05954	0.9
185.13243	7.5
187.11143	1.3
187.14812	16.4
189.12663	0.8
189.16367	1.7
191.14264	0.8
195.11661	2.1
196.12274	0.8
197.13216	3.0
199.14851	4.8
201.12773	3.2
201.16328	3.9
203.14308	4.7
207.11696	0.8
208.12444	0.8
209.13237	2.3
211.14822	3.9
213.05460	2.5
213.12781	1.0
213.16342	3.4
215.14401	1.6
217.15956	1.1
219.11763	0.7
219.13779	2.3
221.13206	1.0
223.14865	1.2
225.12790	0.7
225.16411	1.5
227.14316	2.2
227.17863	1.3
229.15858	4.5
237.16275	1.0
239.17888	1.3
241.15833	0.8
247.13338	2.4
251.17754	1.3
255.17387	0.8
263.18054	1.0
265.19608	1.1
275.16333	1.4
281.19034	1.7
283.20544	2.3
287.05499	100.0
288.05878	4.7
295.20657	0.9
327.19537	0.7
341.21402	0.9
385.28903	2.8
403.29926	10.5
405.31628	0.9
421.31308	0.9
431.29501	5.0
449.10449	0.9
449.30524	44.9
450.31070	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
52.02629	0.1
52.51390	0.1
68.99800	0.3
69.14127	0.1
70.04351	0.6
70.04769	0.2
111.00837	0.2
115.05434	0.3
121.02857	0.5
129.07051	0.2
137.02367	2.4
137.03380	0.2
143.04916	0.3
147.04393	0.2
149.02325	0.7
157.06505	0.5
161.05995	0.2
165.01822	0.3
171.04417	0.4
175.03986	0.3
175.07663	0.2
185.05974	0.9
189.05530	0.5
199.03949	0.2
203.03342	0.2
212.04773	0.2
213.05499	2.7
216.04222	0.3
231.06519	0.7
241.04945	1.1
259.06042	0.2
269.04440	0.4
287.05518	100.0
287.82996	0.2
288.05890	1.9
449.10745	0.9
471.35349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
51.00689	0.2
61.31198	0.2
68.99802	0.2
69.15894	0.2
71.00255	0.4
111.00799	0.2
137.02350	2.4
137.03343	0.4
141.06882	0.2
143.04912	0.3
147.04454	0.3
149.02304	0.4
157.06462	0.4
161.06039	0.3
161.12148	0.2
165.01891	0.4
175.03908	0.3
185.06020	0.8
189.05478	0.3
213.05467	2.5
216.04308	0.2
231.06541	0.9
241.05045	0.9
269.04526	0.5
287.05515	100.0
288.05731	1.0
449.10437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.11790	0.6
53.78037	0.6
56.77430	0.6
57.03431	1.1
61.02922	1.3
61.17365	0.6
69.03429	2.6
69.30880	5.1
69.31276	1.1
71.05001	0.6
73.02895	0.7
81.03432	1.7
82.93816	0.6
85.02918	8.4
85.24381	0.6
87.04440	0.7
97.02890	3.6
99.04425	0.8
102.29652	0.6
109.02851	1.1
111.00796	0.7
115.61087	0.6
121.02863	3.4
127.03897	0.9
145.04922	1.5
147.04358	0.8
153.01852	5.4
165.01866	2.0
183.02919	0.7
213.05505	1.4
231.06570	0.8
241.05186	1.1
258.05209	1.5
259.06155	0.6
287.05527	100.0
288.05722	1.2
303.05142	1.3
352.43042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05506	1.2
57.03441	9.6
61.02921	1.5
68.31847	0.4
69.03426	2.2
69.72018	1.3
69.72432	1.7
71.04997	70.5
73.02919	2.3
75.04490	4.2
81.03414	0.8
82.43144	0.7
83.04986	7.6
85.02909	100.0
86.03227	0.7
87.04470	2.4
90.05795	0.5
91.03988	0.6
97.02890	4.7
99.04419	1.2
101.06017	0.9
103.03947	1.2
105.07024	2.2
107.08570	0.5
107.91370	0.5
109.02896	1.3
111.04443	5.0
127.03905	5.1
129.05489	47.4
145.04962	7.8
146.08095	1.5
147.06528	27.5
147.07748	0.8
163.06036	4.3
164.08133	0.5
164.09230	6.4
165.07588	1.0
207.06497	1.2
213.05356	0.7
255.08580	2.5
273.09583	1.5
285.13144	0.6
287.05505	19.7
298.61130	0.5
309.11649	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0871
Annotation	XL147
Peak:m/z	Relative Intensity
58.12010	0.4
67.05470	0.5
68.99775	0.4
69.03413	0.9
69.31985	3.3
74.86836	0.4
79.05468	0.5
81.03413	0.5
81.07055	0.8
85.02885	1.5
91.05467	1.2
93.07036	1.1
95.04977	0.4
95.08597	0.9
107.05050	0.4
107.08612	0.7
109.02867	0.7
117.06974	0.4
119.04939	2.0
119.08588	1.1
121.10139	0.5
123.04427	8.9
127.03915	0.4
133.10106	0.6
137.02325	0.9
137.06023	0.5
139.05371	0.5
139.81892	0.5
141.07021	0.5
143.08533	0.5
146.33163	0.4
147.04431	2.7
147.11656	0.5
153.01750	1.2
157.06483	0.5
167.04893	0.5
168.10713	0.4
181.04951	1.5
185.05959	1.0
189.05420	0.5
195.04405	1.5
213.05467	10.2
223.03908	1.9
227.03325	0.5
237.05539	0.5
241.04988	6.4
253.05074	0.6
269.04459	15.3
270.05310	0.9
281.04556	0.6
283.05847	0.5
285.04089	2.2
287.05518	44.3
293.04498	0.6
297.03955	100.0
298.04581	2.7
309.03922	0.8
311.05469	2.7
327.05014	5.1
339.04645	0.7
431.07813	0.6
449.08691	54.8
450.08783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
55.05518	16.5
57.07067	5.3
60.70959	2.0
64.61626	1.8
65.03938	2.3
65.42720	1.6
67.05511	21.6
69.03414	4.3
69.07073	16.2
70.34494	5.4
71.04984	7.6
71.08646	3.4
79.05495	12.6
81.03391	2.2
81.07058	34.5
83.04990	2.1
83.08606	8.1
83.86998	1.9
85.06537	6.3
91.05471	18.6
93.07047	24.8
95.04975	3.9
95.08611	45.8
97.06538	7.4
97.10162	8.7
99.08102	5.3
105.07042	25.4
107.04974	2.0
107.08601	34.6
109.06517	5.4
109.10162	39.8
111.08066	7.7
113.09631	3.1
117.07021	6.8
119.08585	100.0
121.06504	3.6
121.09332	3.4
121.10148	34.3
123.08072	5.4
123.11709	12.8
125.09615	4.1
131.08580	11.5
133.10133	41.5
135.08064	7.1
135.11685	15.0
137.09605	3.9
139.11247	2.3
142.07730	2.1
143.08560	7.7
144.09341	2.8
145.10127	31.8
146.95607	1.6
147.11710	10.2
149.02342	6.8
149.09590	3.7
149.13255	13.4
151.11205	5.5
151.14827	6.7
155.08536	2.9
156.09334	4.2
157.10124	13.8
158.10883	3.3
159.11690	34.9
161.09622	3.5
161.13243	8.6
163.11177	3.2
163.14803	5.3
165.10402	1.7
165.12761	3.0
165.20874	1.8
167.14337	2.1
169.10182	10.3
169.15848	8.2
170.10857	3.9
171.11684	15.4
172.12399	1.9
173.13272	13.0
175.11212	3.9
175.14868	8.6
177.12801	5.6
177.16324	3.9
181.10132	2.7
182.10944	2.1
183.11662	11.2
183.26726	1.8
184.12424	2.3
185.13292	10.7
186.13979	3.3
187.14801	15.8
189.12785	2.3
189.16409	5.5
191.14359	5.6
197.13268	6.2
199.14807	17.8
201.12834	3.2
201.16399	27.5
203.14258	4.4
205.15939	9.9
207.17439	2.9
209.13217	2.1
211.14850	7.4
213.16406	8.0
215.14140	3.5
215.17935	5.1
219.17279	2.1
223.16940	18.8
225.16405	9.8
227.18018	9.4
235.14761	1.9
239.18039	2.3
243.17458	7.9
253.19527	2.6
279.21057	3.3
311.14294	1.7
337.25189	2.3
375.30496	2.7
390.26425	2.0
393.26907	3.2
393.31525	31.1
411.32590	45.5
429.28436	2.7
429.34131	15.0
447.29059	8.6
447.34579	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	447.3469
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
51.17098	0.4
55.05505	1.0
57.06844	0.5
57.07081	6.4
61.42287	0.4
67.05506	0.7
69.03422	0.5
69.07061	1.1
69.17951	3.6
71.08640	4.0
79.05484	0.6
81.07058	1.0
83.01355	0.6
83.04956	0.6
85.10180	1.6
91.05470	0.8
91.39705	0.4
93.07050	1.0
95.01319	1.8
95.04948	0.4
95.08613	0.5
98.98476	1.1
99.00819	10.0
99.04443	1.8
105.07043	0.4
107.04974	0.4
107.08608	1.0
109.02876	1.0
113.02370	2.2
117.01863	1.0
121.06547	0.3
123.04430	0.7
125.06008	1.4
127.00293	0.4
131.08601	0.4
135.04366	1.0
135.08038	0.9
137.05963	0.9
145.10162	0.5
149.05998	0.9
149.09598	0.7
150.57271	0.3
151.07535	0.8
153.05429	2.4
155.01013	1.0
155.07028	0.3
163.07558	2.5
163.11142	0.5
169.04884	0.5
177.05319	0.4
177.09120	1.8
181.04961	14.6
181.06557	0.8
183.04178	0.6
183.06555	1.0
191.07050	1.3
191.10750	0.8
195.06541	30.7
196.06929	0.4
196.94250	0.4
205.08569	1.4
209.08096	17.8
223.09665	14.9
237.11230	11.6
251.12785	8.9
251.15245	0.6
265.14355	5.2
279.15979	2.1
293.17416	1.7
307.19034	1.5
321.20648	1.8
335.22119	1.0
391.28403	0.8
447.34717	100.0
448.34967	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3108
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
53.03979	0.6
55.01874	0.7
55.05502	2.8
57.07064	1.5
67.05504	3.5
69.07069	3.1
71.05005	1.6
71.49639	0.8
79.05490	3.7
81.07072	6.0
82.15273	0.7
83.04959	0.9
83.08609	1.9
89.41449	0.6
91.05472	3.8
93.07054	6.0
95.04930	0.7
95.08610	5.2
97.06488	1.1
99.08070	0.7
105.07038	9.8
105.22990	0.7
105.46055	0.7
107.08614	8.1
109.06522	1.1
109.10153	6.2
111.08080	1.2
113.18008	0.6
117.07031	1.0
119.08588	9.0
121.06496	2.6
121.10146	6.9
123.08056	1.4
123.11721	2.1
126.89535	0.6
127.93513	0.7
130.44220	0.7
131.08562	3.5
133.06497	1.4
133.10144	7.4
135.08022	1.6
135.11693	3.2
139.11195	0.9
143.08559	1.8
145.10106	8.6
147.08038	1.3
147.11720	4.6
149.02328	2.7
149.09605	1.8
149.13242	1.6
151.07510	0.9
151.11174	0.9
155.08507	0.9
157.10141	2.2
159.11682	3.6
161.09605	1.1
161.13232	3.1
163.11151	1.4
163.14836	1.2
173.09607	0.9
173.13271	1.9
175.11160	1.6
175.14857	1.8
177.16405	1.6
183.11627	1.1
185.13278	1.6
186.84540	0.7
187.11229	1.1
187.14833	4.1
189.16362	1.2
191.10715	7.3
193.12283	0.9
197.13327	0.7
199.14763	0.9
201.16289	1.4
203.57010	0.7
205.12262	1.2
205.15961	3.2
209.13322	0.8
211.14861	1.4
217.15953	0.8
223.16946	1.0
225.16342	0.8
389.26846	0.7
393.27466	0.9
411.32788	1.2
429.29919	100.0
430.30194	2.8
447.30801	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	445.368
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.03944	10.7
55.05516	29.2
57.03441	6.2
57.07071	11.9
67.05506	51.5
69.03430	14.1
69.07072	46.4
69.50014	38.1
79.05480	22.2
81.03434	13.0
81.07063	80.9
83.08613	19.8
87.04487	6.9
91.05476	35.9
93.07052	48.2
95.08619	94.5
97.02907	11.7
97.10181	7.9
98.98457	20.8
103.07892	6.7
105.07036	48.3
107.08606	79.2
109.10165	100.0
111.81126	5.4
117.07011	13.1
119.08582	53.1
121.06581	6.6
121.10159	77.1
123.11722	24.7
131.08588	34.7
133.10110	67.4
135.07983	8.1
135.11703	48.1
137.09657	7.0
143.08513	11.5
145.10136	47.7
147.11713	49.6
149.13223	33.5
151.11232	7.9
151.14857	9.3
151.98106	6.6
153.12770	6.2
155.01053	17.3
157.10155	20.2
159.11690	62.0
160.64598	5.5
161.13295	35.2
163.11165	20.3
163.14862	6.8
169.10124	8.4
171.11690	23.3
173.13275	44.5
175.14888	16.0
177.12752	27.0
177.16397	8.1
183.04204	13.5
183.11667	7.4
185.13269	22.5
187.14804	28.9
189.16362	12.6
195.13800	17.6
199.14796	17.2
201.16377	23.5
203.17946	19.4
205.15938	8.9
209.11778	6.6
210.11325	6.0
213.16379	9.2
215.17880	6.4
225.16507	7.2
227.18004	12.1
241.19479	9.2
243.17328	9.9
245.18988	13.4
245.22632	11.7
257.22650	22.7
271.24258	7.9
275.23770	16.2
283.20718	15.3
289.25110	8.3
301.21808	8.0
325.25186	6.5
329.28412	7.7
409.34711	82.8
411.10031	7.6
427.35785	47.8
445.20758	10.0
445.37021	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	445.3681
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.03960	2.4
54.83413	0.9
55.01868	2.1
55.05514	11.6
57.03429	3.8
57.07073	2.8
65.03912	2.0
67.05507	11.5
69.03426	3.9
69.07067	16.9
71.04977	2.8
71.08599	1.5
71.50529	1.0
72.59669	1.0
73.04736	1.3
79.05502	9.9
81.03423	5.2
81.07056	22.9
83.04991	3.8
83.08639	6.9
85.02927	1.2
85.06544	2.0
91.05459	10.0
93.07046	30.6
95.04971	1.9
95.08613	39.5
97.02909	4.0
97.06547	4.9
97.10178	8.4
99.08075	1.1
105.07034	18.9
107.04906	1.6
107.08598	50.8
109.06504	1.9
109.09406	1.5
109.10155	22.3
110.10513	1.0
111.04450	1.0
111.08070	2.0
111.11731	1.4
117.07067	4.8
119.08590	24.7
119.09386	2.0
121.10154	31.9
122.10544	1.3
123.08055	2.3
123.11722	6.5
125.09646	1.9
127.03931	1.6
129.06927	1.5
131.08556	8.8
133.10138	21.9
135.08043	1.8
135.11697	29.7
135.12729	1.7
137.09578	1.0
137.13300	2.5
139.11168	7.3
143.08595	2.7
145.10126	16.3
147.08125	1.3
147.11708	15.7
149.09601	1.9
149.13290	8.3
153.12753	7.5
157.10178	3.8
159.11696	22.3
159.12903	2.0
161.13264	13.6
163.11226	3.8
163.14828	25.2
163.16148	1.9
169.10118	1.3
171.11644	5.3
173.13260	8.4
175.11092	1.3
175.14838	6.6
177.12831	1.2
177.16400	3.8
179.14328	2.9
181.12311	1.6
181.15878	22.0
183.11655	2.5
185.13286	4.4
187.14832	15.8
189.16368	3.8
191.10640	1.4
191.14302	2.9
191.17940	6.2
197.13257	2.5
199.14792	1.7
201.16397	33.8
201.83145	1.0
203.17964	30.5
205.15808	1.6
209.11758	4.5
211.14879	1.4
213.16446	5.1
215.17969	4.4
217.19519	1.8
219.17445	42.1
221.18980	1.8
225.16414	3.7
227.12798	3.9
227.17986	8.4
229.19569	6.2
237.18506	20.6
241.19545	2.8
243.20993	1.2
247.20607	4.2
253.19539	3.3
257.22604	2.2
265.21710	1.3
267.21024	2.1
280.83249	1.1
281.22672	1.8
283.24200	5.4
297.94562	1.2
335.27417	1.3
359.02991	1.4
389.94061	1.4
391.33636	12.3
409.34683	100.0
410.34949	3.6
424.88110	1.1
427.35931	18.6
445.20483	5.4
445.37042	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	445.3686
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
50.52574	1.4
54.48592	1.6
55.05513	11.1
55.47686	1.6
67.05511	14.4
69.03447	2.3
69.07076	21.5
71.05000	2.4
76.56622	1.6
77.03933	2.0
79.05495	15.5
81.03442	2.2
81.07062	26.7
83.05005	2.5
83.08625	8.3
91.05485	15.2
93.06498	2.4
93.07057	35.6
95.04995	2.7
95.08613	41.8
97.06548	3.8
97.10165	5.7
98.98435	2.6
105.07044	26.9
107.08604	49.4
109.06539	3.1
109.10167	27.9
111.08102	2.6
111.11681	2.0
113.09692	2.0
117.07012	6.3
119.08582	27.2
120.08952	2.8
121.06467	2.2
121.09345	2.7
121.10156	30.6
123.08147	2.0
123.11729	7.5
125.09668	3.4
129.06999	3.3
131.08572	14.3
133.10155	18.3
135.11711	22.8
139.11198	7.8
143.08586	4.4
145.10100	19.7
147.11710	17.5
149.09628	1.8
149.13264	8.3
151.11148	2.0
153.12756	4.9
155.08450	1.8
157.10126	4.9
159.11694	23.6
161.13287	10.1
163.11186	3.4
163.14842	28.3
171.11719	6.4
173.13211	8.3
175.14836	6.7
177.16351	5.0
179.14346	1.9
181.15891	19.6
183.04123	2.3
183.11713	3.6
185.13277	4.2
187.14815	15.3
189.16472	2.4
191.14403	3.8
191.17943	6.6
197.13313	3.2
201.16406	33.0
203.17973	26.2
205.15767	2.1
206.16335	2.0
211.14842	2.7
213.16444	5.9
215.17949	3.9
217.15799	2.0
219.17444	41.1
225.16505	2.2
227.17934	7.2
229.19502	3.0
230.03786	1.6
237.18510	15.7
247.20651	2.0
253.19356	2.6
265.66888	2.1
267.21204	2.2
283.24121	3.4
343.26630	1.8
353.24582	2.9
371.25711	2.7
389.27051	2.5
391.33572	10.4
409.34674	100.0
410.34927	2.1
427.35757	17.5
445.29791	11.8
445.36288	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	445.3684
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
51.88838	1.3
53.03944	1.5
55.05515	8.9
57.03442	1.7
57.07074	1.9
67.05520	11.3
69.03422	4.1
69.07079	15.5
69.91335	5.2
71.05016	1.8
73.04745	1.5
79.05511	9.6
81.03418	2.8
81.07067	21.1
83.04977	3.2
83.08632	8.1
85.06530	1.7
91.05470	10.7
91.56123	1.4
93.06495	2.0
93.07056	30.4
95.05009	1.6
95.08618	32.0
96.85710	1.4
97.02914	3.2
97.06556	3.1
97.10200	7.2
105.07034	18.5
107.08608	43.4
109.10159	25.1
111.08090	1.7
113.09692	1.8
117.07014	2.1
119.07814	2.1
119.08591	25.3
121.10164	28.6
123.08070	2.8
123.11706	7.7
125.09639	2.9
129.07022	1.7
131.08556	7.3
133.10147	16.0
135.11713	23.2
139.11183	7.5
142.47946	1.1
143.08615	3.4
145.10153	15.1
147.11685	14.8
149.09612	2.1
149.13304	7.7
153.12738	7.0
157.10181	3.2
158.10951	1.5
159.11703	20.2
161.13277	10.9
163.11162	3.8
163.14835	28.0
171.11803	2.7
173.13280	7.4
175.14839	7.2
177.16441	3.3
179.14275	3.5
181.15895	20.5
183.11751	2.3
185.13278	2.9
187.14830	14.3
189.16443	4.0
191.14346	2.2
191.17931	6.5
201.16402	35.6
203.17967	31.7
209.11855	2.3
213.16406	5.5
215.17966	4.4
219.17473	40.1
220.79356	1.5
221.18977	1.3
225.16400	2.6
227.12837	2.4
227.17940	9.5
229.19484	4.1
237.18510	17.2
239.17993	2.1
241.19543	1.8
247.20497	3.1
253.19525	4.6
255.21046	2.0
265.21634	1.6
267.21143	2.9
271.24344	1.5
281.22559	1.6
283.24240	4.2
391.33655	12.0
409.34698	100.0
410.34967	3.3
427.35837	17.7
445.20166	2.3
445.36945	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.01883	11.7
55.05278	3.1
55.05513	42.4
57.07081	41.6
67.05511	17.3
69.07073	87.9
71.08640	25.6
71.22826	3.3
71.23170	3.0
73.04747	2.7
74.66010	2.4
79.05492	18.4
81.06598	3.8
81.07060	65.4
83.04990	5.3
83.08169	3.9
83.08627	56.3
85.10196	15.9
91.05453	5.5
93.07043	32.9
95.08617	48.6
97.06519	7.3
97.10179	28.9
105.07030	4.6
107.08607	29.4
109.06525	4.2
109.10165	31.3
111.08087	12.6
111.11729	21.2
119.08576	4.1
121.06494	8.5
121.10158	20.0
123.08079	8.0
123.11713	14.5
124.05180	3.8
125.09614	3.1
125.13248	7.6
135.11673	10.7
137.06004	8.5
137.13222	4.0
139.07544	100.0
145.10132	3.4
147.11690	3.0
149.09706	2.5
149.13271	15.9
151.07549	9.0
161.09656	3.1
161.13246	3.4
163.14836	16.5
165.05536	12.7
165.09123	18.0
167.14369	2.6
175.11244	4.1
177.16370	4.3
181.08604	2.7
193.08650	18.0
203.10677	6.8
217.12283	4.3
219.13837	3.4
219.20863	3.4
231.13782	3.0
289.28973	16.5
307.29858	22.6
427.35651	5.8
445.31485	3.4
445.36908	41.9
455.73376	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01865	5.7
55.05516	35.2
57.07077	46.6
57.31915	3.4
67.05497	22.7
69.03423	3.4
69.07072	71.7
70.99558	3.2
71.08642	24.4
71.23258	6.7
72.67506	3.2
79.05488	13.9
81.07056	53.3
83.04977	6.5
83.08625	46.3
85.10154	8.6
91.05427	15.3
93.07043	31.9
95.04969	5.0
95.08609	48.2
97.06546	6.4
97.10184	33.5
105.07027	5.0
107.08604	23.9
109.06500	5.3
109.10153	28.2
111.08089	6.9
111.11707	18.9
119.08566	9.3
121.06519	5.1
121.10152	17.5
123.08064	8.7
123.11706	13.6
124.05190	3.7
125.13251	6.0
133.10168	4.3
135.07990	4.2
135.11716	19.4
137.05969	10.0
137.09650	5.9
137.13300	6.5
139.07545	100.0
139.14948	3.5
145.10103	7.6
147.08084	5.0
149.09613	9.3
149.13248	11.6
151.07483	5.9
159.11755	3.9
161.09647	4.3
163.07521	5.7
163.11200	3.7
163.14827	16.3
164.07062	3.0
165.05507	17.0
165.09129	36.9
171.11642	7.9
173.13229	4.6
175.07529	3.8
175.11203	8.7
177.09116	13.0
177.16406	5.3
181.08643	4.2
189.09042	5.9
189.12753	4.5
193.08629	13.9
195.02551	3.6
199.11143	5.5
203.10725	5.1
205.12161	3.8
217.12163	5.5
231.13818	5.4
239.49615	3.3
243.60300	3.2
289.01968	3.5
289.28906	16.8
307.30042	23.5
307.52869	3.9
332.01126	3.6
381.35013	4.5
399.36090	9.8
409.34494	3.8
427.35574	11.3
445.36746	42.3
463.35565	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.9
55.05519	31.5
57.07080	70.2
67.05488	15.9
69.07069	48.0
71.08640	40.8
79.05486	10.9
81.07051	36.8
83.01340	15.7
83.08619	32.3
85.10186	24.0
91.05475	14.6
93.07034	13.7
95.08591	27.7
97.02876	4.5
97.06493	4.0
97.10165	24.1
98.21552	10.4
99.04451	7.0
105.07042	11.7
107.08587	13.3
109.06511	59.2
109.10170	16.8
111.08112	3.8
111.11709	13.8
119.08570	11.7
120.70457	3.3
121.06536	6.7
121.10136	11.8
123.08060	8.6
123.11739	8.2
125.06005	4.8
125.13245	6.4
131.08569	10.8
133.10139	10.5
135.08046	18.5
135.11659	4.4
137.05988	100.0
137.09596	4.8
137.13197	3.9
139.07559	20.9
145.10078	5.5
147.08081	4.2
147.11716	5.1
149.09625	12.0
151.07533	42.6
151.11145	5.4
157.10126	4.9
159.08006	4.2
159.11655	4.1
160.08792	3.7
161.09590	13.8
161.13268	5.8
163.07547	10.5
163.11174	11.5
165.09120	22.6
171.11647	3.9
173.09671	5.4
174.10359	3.8
175.07759	3.5
175.11176	20.7
175.14725	3.6
177.09137	18.4
179.10672	7.8
180.36852	3.2
189.12712	10.9
191.10707	7.8
193.12225	16.6
201.12749	4.0
203.10579	4.4
203.14371	7.7
207.13928	18.2
219.13629	3.8
221.15375	13.9
235.16920	9.6
245.19150	3.8
249.18567	6.2
257.77652	3.6
263.20105	11.1
273.22366	4.6
277.18091	3.8
277.21680	10.3
287.20056	3.3
291.23068	8.1
305.24863	4.6
319.26129	6.4
333.27841	4.5
347.29410	7.3
357.31494	4.4
385.34671	34.4
399.36316	27.7
403.35651	20.6
417.37332	44.1
427.35782	16.3
445.36932	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	445.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.7
56.11829	5.0
57.07078	10.4
58.52012	5.5
67.05521	29.4
69.07053	22.8
69.35313	18.5
69.35735	30.6
69.37189	5.5
79.05495	14.4
81.06657	6.5
81.07072	60.6
83.08617	17.1
84.06372	5.8
91.05479	16.4
93.07057	38.6
95.08613	100.0
96.54353	5.4
97.10176	7.8
105.07044	35.3
107.08606	75.1
109.10164	69.7
111.08089	7.1
111.78406	6.2
119.08581	78.4
121.10156	60.9
123.11733	45.7
125.09652	83.9
131.08569	17.6
133.10149	38.7
135.08015	10.3
135.11688	40.5
137.13239	14.4
143.08572	12.7
145.10159	31.9
147.11716	23.2
149.13202	15.3
149.73041	5.7
151.14815	14.6
157.10127	9.6
159.11708	23.5
161.13304	12.2
163.14883	16.8
165.16408	6.2
171.11757	7.8
173.13295	26.0
175.14853	28.1
177.16336	26.9
181.15891	20.5
185.13248	41.8
187.14856	36.3
189.16345	13.0
191.14305	11.3
191.18013	12.1
193.15900	9.6
195.17488	14.2
199.14795	19.4
201.16422	74.0
203.14346	24.1
205.15865	14.0
213.16457	6.3
215.18024	11.6
217.15929	18.6
219.17455	11.7
242.42354	5.4
245.15388	8.7
247.16887	32.6
249.14885	35.1
261.14792	8.3
263.16327	11.0
381.31415	19.8
397.31058	8.4
399.32394	22.1
409.31024	10.7
415.32285	38.1
427.32199	34.1
443.06619	6.5
445.33273	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
53.03932	4.1
55.05511	36.5
57.07084	43.6
57.93902	3.2
67.05517	26.8
69.06700	4.3
69.07070	71.5
69.56634	16.6
69.57037	7.0
71.08637	33.0
79.05499	26.5
81.07061	81.2
83.08629	29.5
85.10200	20.5
89.02416	5.1
91.05456	30.8
93.06495	4.5
93.07050	59.2
93.07629	3.2
95.05018	4.6
95.08610	95.0
97.06562	3.6
97.10165	24.9
98.15661	2.9
105.04552	2.8
105.07036	58.5
107.08595	62.9
109.06547	4.8
109.10165	50.1
111.04499	3.2
111.11729	15.8
117.07025	11.9
119.08601	51.4
121.10145	48.1
123.11713	28.8
125.13265	9.8
129.07941	3.5
131.08568	37.2
133.10123	43.4
135.08092	5.7
135.11708	35.4
137.05984	4.1
137.13274	11.0
139.07562	6.5
143.08586	13.0
145.10139	45.7
147.08083	4.5
147.11700	41.5
149.09618	6.5
149.13309	24.7
151.14830	5.2
155.07074	15.2
155.08463	3.6
157.10152	9.8
159.11702	35.7
161.13295	21.1
163.14842	13.7
165.09125	27.6
165.16360	4.0
169.10146	3.6
171.11723	13.0
173.13263	19.5
175.14873	13.3
177.09152	5.5
177.16373	6.4
179.10663	5.8
183.11742	5.4
185.13258	14.9
187.14856	16.4
189.16382	11.3
191.10695	17.1
191.14317	3.8
191.17952	4.5
193.12277	9.6
199.14894	6.2
201.16364	8.8
203.18030	8.9
205.12338	9.9
207.13820	3.2
217.12213	3.9
219.13680	6.8
219.21053	4.6
227.17995	4.7
229.19260	3.8
231.13808	9.8
233.15364	8.7
233.22606	5.8
245.15338	5.7
245.22385	4.5
247.17084	6.4
247.24185	9.7
259.17017	6.1
259.24243	4.0
261.25836	10.6
263.16397	6.1
273.18530	7.1
287.20047	15.5
287.27240	4.5
305.21063	5.9
315.23337	4.8
318.04407	4.4
341.32120	11.1
343.33591	43.9
367.33740	4.2
385.34845	6.3
387.15903	3.7
401.17557	4.5
409.34464	4.3
415.15536	4.8
416.20148	4.0
427.35742	55.9
430.17896	9.7
445.20020	54.0
445.31110	5.9
445.36838	100.0
446.20795	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	445.3315
Annotation	Gibberoketosterol B
Peak:m/z	Relative Intensity
52.89367	1.5
53.03937	2.1
55.01859	2.9
55.05519	15.2
57.07072	2.8
62.53115	1.6
66.59421	1.5
66.76787	1.2
67.05515	8.0
69.07059	6.1
70.63063	3.6
70.63412	1.5
71.04990	1.5
74.83267	1.6
78.44697	1.6
79.05477	6.6
81.03433	2.5
81.07082	9.2
83.08620	10.8
85.06498	2.2
91.05470	8.4
93.06591	1.5
93.07053	17.1
95.04945	4.6
95.08612	17.0
99.08081	3.4
103.54078	1.5
105.07039	19.4
107.04981	2.6
107.08613	14.0
109.06480	2.9
109.10170	14.2
111.08054	4.8
113.00013	2.6
117.07037	4.3
119.08583	23.3
121.06512	9.0
121.10150	14.0
123.08092	3.4
123.11673	4.2
125.09633	2.5
129.07008	3.2
130.46767	1.4
131.08597	12.6
133.06499	2.6
133.10133	17.9
135.08073	8.4
135.11720	7.6
137.09641	2.5
139.11168	2.0
141.06975	1.7
143.08617	7.4
145.10115	14.7
147.08012	4.0
147.11697	11.6
149.09618	7.0
149.13277	3.5
151.11140	3.3
155.08534	6.1
157.10150	6.2
159.08054	3.7
159.11699	12.2
161.09599	6.2
161.13272	8.4
163.11145	3.7
163.14871	2.8
169.10120	4.7
170.10901	1.7
171.11749	10.0
173.09647	4.3
173.13264	9.8
175.11122	3.2
175.14842	4.5
177.12677	3.1
177.16315	1.7
179.14308	1.8
183.11661	4.9
185.13303	8.6
186.45822	1.6
187.11153	4.5
187.14835	7.8
189.12758	4.9
189.16370	2.1
191.14322	6.9
195.11670	3.4
197.13249	3.3
199.14812	3.7
201.12808	3.2
201.16428	3.4
203.14360	3.7
205.15880	7.5
207.11575	1.9
211.14883	2.3
213.16513	2.2
223.15001	2.3
225.16333	3.4
225.21423	1.9
231.17317	2.2
237.16405	3.7
239.18030	3.5
241.19600	2.6
241.91620	2.3
243.17403	3.8
257.18942	4.3
269.19113	2.0
293.18768	2.6
309.22101	1.6
321.22144	3.3
339.23074	4.4
349.25195	1.7
357.24194	8.5
373.28693	1.9
391.29959	9.1
409.31149	15.1
410.31271	2.0
414.12463	1.7
427.32190	100.0
428.32532	4.0
445.33652	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	445.1109
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
53.57215	5.5
69.03427	8.9
71.47915	8.1
79.91872	5.4
85.02887	10.6
86.06061	6.0
150.77763	5.7
153.01816	12.6
278.83606	4.9
294.86053	5.3
383.01770	6.3
390.18008	6.4
416.02676	6.3
445.11029	100.0
445.18262	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.6
55.01867	5.9
55.05516	29.7
57.03424	5.6
57.07056	4.5
65.03930	4.4
67.05508	61.4
69.03428	3.7
69.07072	31.4
69.55672	11.9
69.56088	4.1
71.04993	4.5
79.05498	57.0
81.03408	3.6
81.07062	78.8
83.04968	9.7
83.08633	17.8
85.06538	6.8
91.05477	76.6
93.07044	67.4
95.04955	9.7
95.08612	65.9
97.06519	8.5
97.10145	8.1
98.20850	4.2
99.08095	10.5
103.05466	2.8
105.04512	2.3
105.07034	77.6
107.04952	6.2
107.07886	3.9
107.08595	56.4
109.06557	10.1
109.10160	37.4
111.08061	6.4
113.09641	3.2
115.05453	3.9
117.07027	33.3
118.07764	2.2
119.08582	78.7
121.06518	6.9
121.09263	1.4
121.10140	39.2
123.08046	9.7
123.11722	14.6
125.09628	45.4
128.06194	7.0
129.07031	22.4
130.07828	3.0
131.08569	62.7
132.61623	1.9
133.06500	4.8
133.10136	43.7
135.08063	8.3
135.11685	28.2
137.09558	5.4
137.13213	5.2
139.11179	5.0
141.06961	7.1
142.07748	2.7
143.08575	28.6
145.06488	2.6
145.09067	3.7
145.10133	49.0
147.08037	4.9
147.11690	22.6
149.09615	5.8
149.13245	8.0
151.07518	2.4
151.11189	4.7
151.14857	4.1
155.08539	10.2
156.09303	3.1
157.10172	19.0
158.10925	3.0
159.08130	3.6
159.11702	25.6
161.09547	3.8
161.13264	13.4
163.11153	4.8
163.14787	9.0
165.07140	2.5
165.12747	3.6
167.08609	4.4
168.09337	2.3
169.10121	11.5
171.08133	3.8
171.11708	18.6
173.09608	2.4
173.13272	21.4
175.11243	5.7
175.14833	15.8
177.12805	4.7
177.16373	8.6
180.09395	2.3
181.10161	5.6
181.15916	3.2
183.11681	10.5
185.13269	13.2
187.14830	20.4
189.12759	5.7
189.16348	9.0
191.14333	4.5
191.17969	6.1
193.15851	3.9
195.06564	3.7
195.11742	5.2
197.13266	8.5
199.11215	2.6
199.14839	9.6
201.12906	2.7
201.16388	14.0
203.14301	7.9
203.17938	2.4
205.15889	9.7
209.13255	6.0
209.15179	2.4
211.14822	5.9
213.16357	5.0
215.14330	2.7
215.17914	4.2
217.15901	5.3
219.13715	3.1
219.17506	2.8
221.15350	4.0
223.14780	5.4
223.16902	3.7
225.16348	5.0
227.18005	3.2
229.15900	3.1
231.17427	3.0
233.15398	3.7
235.14661	2.2
235.17029	2.4
237.16493	3.8
241.15916	5.2
241.19527	3.7
245.15285	4.9
247.16949	3.7
255.17477	3.7
259.16974	4.8
273.18475	2.6
287.20187	2.5
307.24023	2.1
325.25159	6.8
327.26770	3.1
335.23602	6.0
341.24680	2.2
343.26352	6.3
353.24692	23.0
371.25717	21.4
381.31519	6.5
389.26889	24.0
399.32504	5.6
409.30890	8.4
415.32138	5.4
427.32599	14.1
443.06616	2.3
445.28751	100.0
446.29556	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	445.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43153	3.8
56.96568	33.8
63.64202	4.2
69.03429	8.0
69.34255	27.4
70.06580	4.2
70.98083	3.9
73.04768	32.8
78.35028	4.0
81.03407	5.4
81.42208	3.7
84.96045	8.1
85.02912	22.4
91.05801	47.9
95.04928	4.3
97.02906	18.2
97.96830	4.4
98.97585	100.0
99.97940	9.2
102.96870	17.8
110.97575	37.0
112.07606	4.6
114.96844	5.8
116.98620	34.0
117.03374	4.8
119.04955	5.1
120.97907	6.3
127.03874	5.7
128.98610	28.6
134.99660	4.6
137.05972	5.7
140.98495	3.5
143.00279	7.2
144.98073	3.8
145.02910	3.9
146.99622	12.4
147.04393	12.9
149.01283	3.8
149.04564	8.8
153.01845	14.1
154.44745	3.5
156.03355	10.6
158.99654	19.1
159.99988	5.1
161.01205	5.5
162.99063	8.3
163.03899	20.9
164.04245	6.4
167.05595	31.1
167.06924	6.5
170.99677	21.2
172.00027	8.2
174.04413	8.6
177.00732	13.6
180.99968	4.7
186.04416	19.2
189.00731	15.5
193.00031	9.4
201.00699	11.8
204.05426	13.4
205.00003	9.8
219.01791	27.8
223.01048	9.7
225.04277	16.0
237.02849	46.7
247.01102	5.0
247.04637	4.6
258.06042	5.4
261.02798	7.9
265.02167	12.8
282.01242	11.2
283.01443	7.0
283.16873	4.1
301.02747	7.2
303.01340	5.4
307.04794	8.5
316.06958	6.6
325.04349	6.0
359.02884	50.9
385.04211	15.0
429.08621	7.0
445.11420	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
53.03936	1.0
55.01862	1.9
55.05517	8.9
56.05835	1.6
57.07071	2.5
59.04994	1.1
63.59273	1.1
67.05511	12.7
68.05824	2.4
69.03428	1.6
69.07072	12.5
70.07413	1.7
71.05009	1.6
71.49799	1.7
76.78961	0.9
79.05494	11.5
80.05817	1.9
81.07059	22.9
82.07379	4.5
83.04971	4.9
83.08620	7.2
84.08959	1.3
85.06549	2.0
87.75717	1.1
88.82154	1.0
91.05459	9.4
92.05810	2.2
93.07047	23.7
94.07377	6.1
95.04954	2.9
95.08606	28.6
95.65429	1.0
96.08945	8.4
97.06559	2.8
97.10174	1.9
99.08092	7.5
100.08432	2.5
105.07034	22.3
106.07386	6.6
107.08598	29.8
108.08940	11.4
109.06520	7.2
109.10154	20.6
110.06835	1.2
110.10512	7.8
111.08080	5.2
113.09566	1.2
115.05487	1.1
117.07018	4.3
118.07341	1.6
119.08592	28.4
120.08921	12.2
121.06508	3.0
121.10149	23.8
122.10485	9.4
123.08084	6.4
123.11708	6.5
124.08353	1.4
124.12046	3.1
125.09619	2.0
127.07558	3.2
129.06998	2.3
130.07574	1.4
131.08575	13.7
132.08885	6.8
133.06467	1.6
133.10132	19.3
134.10489	7.4
135.08052	5.6
135.11708	10.4
136.08434	2.3
136.12070	5.5
137.09608	3.4
137.13258	1.3
138.09978	1.6
139.11143	3.3
143.08569	5.3
144.08864	2.5
145.09097	1.3
145.10135	17.0
146.10446	9.6
147.08072	2.3
147.11694	17.0
148.08380	1.8
148.12039	9.3
149.09604	4.4
149.13261	9.3
150.09933	2.2
150.13600	4.7
151.07573	1.5
151.11180	3.2
155.08556	1.3
157.10162	6.4
158.10512	5.1
159.11714	12.9
160.12016	7.8
161.09697	1.5
161.13274	11.1
162.13600	5.2
163.11194	3.7
163.14833	9.7
164.15189	4.8
169.10139	1.8
170.10576	2.1
170.29024	1.2
171.11615	3.5
172.12111	3.9
173.13358	7.0
174.13568	3.6
175.11244	2.2
175.14804	5.0
176.15125	3.5
177.12750	2.5
177.16432	9.0
178.13074	2.0
178.16727	3.8
183.11664	2.7
184.12047	2.3
185.13264	4.1
186.13611	4.8
187.11278	1.7
187.14874	17.5
188.15154	12.0
189.12682	2.1
189.16351	4.4
190.13033	1.1
190.16696	4.0
191.14287	2.1
192.14632	1.3
192.18234	1.4
197.13252	2.4
198.13675	1.3
199.14766	3.7
200.15205	2.9
201.12746	1.6
201.16374	6.6
202.16774	7.7
203.14307	3.4
203.18015	1.5
204.14691	3.5
205.15906	41.4
206.16249	30.6
207.17471	2.1
208.17740	2.1
213.16418	2.8
214.16772	2.4
215.17885	1.3
216.18309	3.3
218.16231	1.6
219.17514	1.4
220.17657	1.4
223.14886	2.1
223.16867	7.1
224.17276	4.3
227.18057	2.0
228.18260	1.2
229.19583	2.1
230.19861	2.4
241.19627	1.8
242.19928	1.5
252.18237	1.2
255.21114	1.2
256.21411	2.0
284.20779	1.5
314.21979	1.1
390.32617	1.5
392.32782	1.3
394.40265	1.2
408.28769	5.1
408.34464	5.7
409.31342	1.5
426.29654	3.0
426.35233	18.9
427.27762	1.5
427.32751	1.9
444.35938	100.0
445.34033	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	444.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.1
57.07074	1.2
67.05503	6.5
67.97858	0.5
68.05836	1.7
69.07067	4.2
70.05917	2.4
70.07400	1.0
79.05489	4.8
80.05824	1.4
80.30701	0.6
81.07056	12.4
82.07409	3.2
83.04987	1.1
83.08623	2.2
85.06528	0.8
91.05463	3.0
92.05827	1.0
93.07054	9.8
94.07375	3.2
95.04991	1.1
95.08614	16.4
96.08935	5.2
97.10136	0.7
99.08108	1.9
104.52703	0.6
105.07027	9.0
106.07360	3.1
107.08600	17.0
108.08925	6.7
108.13954	0.6
109.06530	2.9
109.10161	10.4
110.06870	0.9
110.10503	3.5
117.07040	1.4
118.07368	0.6
119.08582	10.8
120.08913	4.4
121.06522	1.2
121.10147	15.9
122.10483	6.4
123.08049	3.6
123.11728	3.7
123.12519	0.5
124.08426	1.0
124.12050	1.8
125.09638	0.9
126.21878	0.5
131.08574	6.2
132.08876	3.9
133.10141	8.5
134.10455	4.1
135.08060	4.0
135.11710	6.6
136.08394	1.2
136.11974	3.0
137.09595	0.8
137.13300	1.2
139.11188	0.9
143.08643	1.5
145.10138	9.9
146.10445	5.5
147.11691	12.0
148.12029	5.7
149.09601	1.2
149.13274	8.4
150.13597	4.1
151.11220	0.8
152.97600	0.8
157.10127	1.9
159.11729	4.5
160.12036	3.9
161.13280	3.3
162.13591	3.3
163.11208	0.9
163.14824	7.2
164.15211	6.0
165.12791	0.6
166.09749	0.7
168.51918	0.7
169.10277	0.7
170.10548	0.6
171.11678	1.1
172.12418	0.8
173.13336	4.1
174.13617	1.9
175.11147	1.1
175.14742	3.2
176.11533	1.1
176.15208	2.0
177.16368	5.4
178.13153	1.2
178.16692	5.2
179.39810	0.6
183.11726	0.7
185.13281	2.2
186.13631	1.4
187.14827	11.0
188.15163	10.1
189.16422	2.2
190.16760	2.6
191.14383	0.7
191.17966	1.9
192.18298	1.7
199.14905	0.8
200.15172	1.3
201.16386	4.5
202.16684	4.4
203.18027	1.1
204.18303	1.5
205.15889	34.7
206.16237	33.2
213.16336	1.4
214.16832	1.4
215.17998	2.4
216.18390	2.6
217.19455	0.9
218.16125	0.6
219.17482	1.1
220.17833	1.8
223.16954	4.6
224.17261	3.2
227.17963	0.7
228.18417	1.3
229.19514	0.8
230.19780	1.3
242.19992	1.2
255.21280	1.0
256.21429	1.4
269.22733	0.9
270.23032	1.6
348.26309	1.6
374.28064	0.7
390.32562	1.1
408.33420	3.7
426.34421	12.6
426.39453	0.9
444.35614	100.0
445.36020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	17.7
67.05492	30.1
69.07068	25.1
69.39024	20.8
69.39450	44.7
70.07384	8.6
74.02986	8.1
79.05488	24.9
79.67410	7.4
81.07059	57.7
81.61365	9.5
82.07394	13.9
83.08627	14.5
85.06588	9.8
91.05479	28.6
93.07052	54.5
94.07373	18.4
95.08609	82.6
96.08952	23.1
99.08099	48.2
100.08440	14.8
100.84618	8.7
105.07034	30.7
106.07376	15.4
107.08611	91.4
108.08923	26.7
109.06538	17.6
109.10159	54.2
110.10522	15.4
119.08585	71.2
120.08895	34.6
121.10153	56.5
122.10477	29.1
123.08069	17.2
123.11698	23.8
124.12069	9.8
127.07542	25.4
131.08571	18.8
132.08929	14.5
133.10146	58.5
134.10474	28.4
135.11691	40.0
136.12051	18.1
137.13275	9.5
145.10109	32.5
146.10469	15.4
147.11710	20.3
148.12056	25.8
149.09631	9.2
149.13258	33.4
150.13625	17.0
157.10088	9.0
158.10429	8.5
159.11681	24.0
160.12082	10.5
161.13292	29.1
162.13625	18.5
163.11250	11.1
163.14815	16.8
164.15163	17.8
165.12820	12.7
171.11664	15.6
173.13237	22.4
174.13634	14.1
175.14864	18.6
176.15169	17.9
177.16431	16.6
179.14336	9.5
185.13257	18.9
187.14865	17.1
188.15222	18.5
189.16443	14.7
191.18008	17.9
192.18338	12.4
200.15126	9.7
201.16402	20.7
202.16623	11.0
203.14388	7.9
204.18361	12.3
205.15880	16.7
206.16267	24.2
211.14694	12.4
212.80515	8.6
214.16832	20.2
216.18266	8.2
220.17831	9.3
221.53766	8.4
232.17860	14.7
263.96677	9.0
270.19290	9.1
333.81586	9.2
379.16345	7.5
405.32486	9.9
408.33301	40.1
426.34299	71.1
444.35632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47143	2.9
53.03948	6.8
55.05509	16.7
57.07080	3.6
67.05505	26.6
69.07067	20.4
71.42259	5.2
71.83585	3.3
79.05495	14.0
81.07059	49.3
83.08631	15.8
85.06560	4.2
91.05485	16.6
93.07043	47.3
95.08612	100.0
97.10172	5.9
105.07031	30.4
107.08596	65.0
109.06491	4.0
109.10152	65.9
111.11691	3.7
117.07035	5.5
119.08583	34.8
121.10146	69.4
121.86272	2.9
123.08103	4.7
123.11732	23.2
125.09594	3.4
126.95016	3.8
131.08585	12.1
133.10117	30.3
135.11678	36.6
137.13280	8.2
143.08638	3.8
145.10130	17.6
147.11719	25.8
149.13281	24.9
157.10106	7.4
158.34224	2.9
159.11688	17.2
161.13228	21.6
163.14864	24.0
168.07600	3.1
171.11691	5.4
173.13309	10.1
175.14850	12.6
177.16365	16.4
177.24158	2.8
185.13286	3.3
187.14880	10.5
189.16426	11.1
191.17957	72.8
201.16466	6.2
203.14397	6.2
203.17935	18.4
205.15897	10.8
205.19438	5.5
207.17395	5.2
215.18004	6.6
217.19484	29.6
219.17458	5.7
221.19025	6.7
231.21103	6.8
233.18988	4.7
235.20613	30.2
242.00211	3.2
247.20476	3.6
329.28641	4.4
395.36966	3.4
407.32867	5.4
413.37817	5.3
425.33136	5.3
425.38718	17.7
443.34268	55.3
444.19220	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	443.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14876	6.0
55.05498	17.4
57.07056	8.6
63.34607	6.0
66.03408	6.4
67.05507	28.0
69.07062	24.0
71.05005	8.0
71.50674	8.3
79.05485	16.8
81.07065	57.1
83.08618	11.9
91.05464	16.9
93.07053	47.6
95.08607	100.0
97.06557	5.8
97.10178	6.5
99.08109	7.2
105.07050	34.7
107.08605	68.0
109.10165	61.8
117.01283	5.7
119.08584	67.7
121.10148	66.7
121.72021	5.8
123.11706	26.6
125.09698	6.0
127.11199	14.8
129.07002	5.7
131.08556	10.6
131.26866	6.2
131.55103	5.5
133.10127	60.0
134.74515	7.7
135.11693	67.4
137.13297	16.3
145.10112	15.2
147.11684	38.7
149.13272	45.5
155.52895	5.9
159.11684	15.5
161.13280	27.8
163.14828	25.0
173.13206	10.8
175.14738	10.5
177.16400	16.2
182.38808	5.4
185.13289	6.5
187.14801	18.6
189.16420	15.6
191.17969	83.9
201.16441	14.4
203.18021	33.7
205.15810	10.9
211.14641	7.7
215.18082	12.6
217.19499	42.9
337.04984	6.7
349.14240	6.3
385.13983	7.3
425.38159	41.6
428.15961	12.8
441.27753	6.6
443.18738	75.4
443.34451	71.8
444.19250	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18818	4.6
51.40892	3.8
53.03934	5.8
54.75642	4.1
55.05511	23.5
57.07063	6.6
59.05001	3.9
60.78090	3.9
62.69040	4.2
67.05514	37.4
69.03420	4.4
69.07074	30.4
70.50477	13.4
71.05000	4.8
79.05504	34.6
81.03419	4.4
81.07063	53.5
82.12838	4.2
83.04985	9.0
83.08624	14.8
85.02895	4.4
85.06547	11.4
91.05487	55.4
93.07054	69.3
95.04946	5.3
95.08618	76.5
97.06551	4.9
97.10202	5.5
97.54887	3.7
99.08099	35.7
105.07036	67.8
107.08602	100.0
109.06509	11.4
109.10164	81.4
117.07020	13.8
119.04945	15.0
119.08583	97.9
121.06511	4.5
121.10155	73.2
123.08047	5.4
123.11732	23.7
127.07558	5.5
128.06242	4.9
129.07062	6.1
131.08598	28.9
133.09164	4.7
133.10144	79.6
135.08049	8.9
135.11697	48.3
137.09654	7.7
137.13242	4.5
138.96045	4.0
139.11166	11.7
142.07796	5.8
143.08568	25.8
144.09290	5.9
145.10141	58.5
147.04414	55.5
147.08052	7.4
147.11705	65.1
149.09602	9.3
149.13260	37.2
150.01294	4.2
151.11136	9.6
155.08569	5.2
156.09283	5.7
157.10147	40.8
158.10886	5.2
159.11716	51.4
161.09651	9.5
161.13289	24.8
163.11244	10.9
163.14841	35.2
165.09143	23.4
165.12808	5.9
169.10153	4.9
170.10963	8.1
171.11697	28.3
172.12436	5.9
173.13271	40.3
175.11186	8.8
175.14731	18.7
177.05495	8.3
177.12741	12.0
177.16359	11.7
181.10141	5.4
183.11751	18.6
184.12448	4.4
185.13304	27.2
187.14851	46.7
189.12732	7.6
189.16402	20.7
191.10635	6.2
191.14273	6.0
195.13799	8.2
197.13293	6.7
199.14909	25.4
201.16414	29.8
203.14252	12.1
203.17987	12.4
205.15907	41.3
209.13341	6.0
211.14772	6.6
213.16443	17.5
215.18001	13.7
217.15895	12.6
219.17442	7.6
223.16959	15.4
224.04205	4.7
225.16492	5.3
227.17941	18.0
231.17426	13.6
233.19121	4.8
241.19366	10.3
245.19044	13.1
253.19403	7.2
255.21082	11.5
261.22327	6.9
267.21259	4.1
271.20557	6.7
273.22137	16.6
275.23749	6.2
283.20456	7.0
287.23764	12.0
301.21603	17.5
309.25815	4.7
311.23764	4.6
327.26782	5.6
337.25360	4.8
341.28253	7.3
365.28528	6.0
407.33301	36.8
425.34421	60.8
443.35117	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	443.3528
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
53.03948	4.7
53.87822	3.5
55.01883	4.6
55.05521	28.4
57.07073	9.8
67.05511	31.2
69.03428	4.4
69.07072	32.9
70.54719	3.2
70.94711	5.3
71.04998	4.7
79.05509	30.5
81.07061	62.9
83.04977	10.4
83.08621	18.1
84.08144	21.1
85.06547	6.6
91.05492	46.5
93.07052	74.3
95.04996	9.1
95.08626	73.5
97.06534	7.7
97.10184	6.9
98.84414	3.5
99.08118	20.5
105.07036	77.2
107.08606	100.0
109.06538	8.2
109.10175	59.5
111.08092	11.1
116.49049	3.7
117.07037	11.1
119.08598	90.8
121.06539	5.7
121.10159	69.6
123.08089	14.3
123.11719	25.1
125.09605	4.2
128.06198	9.0
129.07033	10.5
131.08588	45.2
133.06494	10.8
133.10152	71.0
135.08057	16.6
135.11687	49.3
137.09615	14.2
137.13284	9.1
139.11209	10.5
141.07027	4.5
143.08591	25.7
144.09396	5.3
145.10129	58.6
147.04417	3.8
147.08118	9.0
147.11711	57.8
149.09602	19.7
149.13269	26.0
151.07538	7.0
151.11186	9.4
155.08575	8.6
156.09358	5.2
157.10155	34.7
158.10861	4.1
159.08087	4.4
159.11711	50.9
161.09648	9.4
161.13280	30.1
163.11200	15.0
163.14841	24.8
165.12767	6.9
169.10159	19.0
170.10889	5.8
171.11703	29.5
173.09598	4.8
173.13274	39.2
175.11263	8.4
175.14835	27.3
177.12764	17.2
177.16479	17.4
181.12134	3.5
183.11713	15.4
185.09709	4.1
185.13234	30.7
187.11194	13.0
187.14868	41.6
189.12718	13.9
189.16415	13.0
191.10675	7.1
191.14391	12.1
191.18011	6.7
195.11775	5.0
195.13873	4.7
197.13237	8.5
199.11037	4.1
199.14867	19.9
201.12839	8.7
201.16371	34.0
203.14328	15.2
203.17928	14.1
205.12268	10.2
205.15932	47.2
207.17444	6.2
211.14867	8.6
213.16457	15.7
215.18010	11.4
217.15967	4.9
219.13916	6.7
219.17451	14.5
223.14960	4.8
223.17015	15.2
225.16386	8.2
227.17923	10.6
229.15977	6.0
239.18037	9.9
241.19608	6.7
243.17546	6.1
243.21051	5.3
245.19145	5.1
253.19551	5.4
255.17635	6.7
255.21011	5.4
259.16922	4.2
271.20831	4.3
273.22174	6.0
283.20633	4.5
287.23718	8.2
301.21616	9.5
302.30542	3.8
327.26697	4.3
353.28452	3.9
373.27570	6.5
381.13220	4.2
389.28195	7.2
407.28812	7.1
407.33923	21.2
425.29236	20.6
425.34250	32.2
443.30914	73.7
443.35889	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03940	7.7
55.01864	4.3
55.05513	21.2
57.07067	4.1
59.04993	3.8
65.03931	4.2
67.05508	33.0
69.03432	3.4
69.07063	25.2
69.55076	9.7
69.55505	10.1
71.04987	3.9
77.22786	3.0
79.05492	27.1
81.03419	3.0
81.07063	62.1
83.04989	9.9
83.08633	14.3
85.06544	9.4
90.08205	2.6
91.05491	40.4
93.07050	73.9
95.04960	5.1
95.08616	73.8
97.06518	4.4
97.10212	4.0
99.08092	13.2
105.07041	69.7
107.04965	5.5
107.08601	100.0
109.06506	4.5
109.10164	73.1
109.10857	5.7
111.08086	7.1
117.07008	13.7
119.04973	7.4
119.08591	94.5
121.10149	79.0
121.11015	2.3
123.08095	9.2
123.11716	16.4
125.09618	4.9
128.06250	3.3
129.06995	9.9
131.08566	38.8
133.10136	83.0
135.08051	4.2
135.11699	38.4
137.09660	5.9
137.13258	6.0
139.11166	9.5
142.07791	6.7
143.08574	21.9
144.09378	7.3
145.10138	58.7
147.04446	25.1
147.11705	72.4
149.09665	4.5
149.13281	30.6
151.11188	7.1
153.07133	3.5
155.08536	3.1
156.09317	6.6
157.10139	35.3
158.10953	4.0
159.11723	57.3
161.13298	26.1
163.11168	6.8
163.14835	38.7
165.12752	4.3
167.06961	8.0
169.10132	9.2
170.10884	7.5
171.11673	28.6
173.13266	37.2
175.11230	4.0
175.14879	21.7
177.12729	14.0
177.16409	7.9
179.14403	3.6
183.11739	8.4
185.09648	3.1
185.13263	42.1
187.14819	42.7
189.16411	13.1
191.14355	6.3
191.18002	3.7
195.13808	11.2
196.12492	3.7
197.13281	12.8
199.07552	3.2
199.14867	25.4
201.16391	32.2
203.14424	5.1
203.17973	15.9
205.15895	41.7
207.17506	3.3
211.14894	10.3
213.16449	13.4
215.14336	4.3
215.17883	14.4
217.15901	8.3
217.19482	6.1
219.17480	6.5
221.15498	3.9
223.14944	6.0
223.16982	15.9
225.16299	5.5
227.17937	13.3
231.17462	6.7
233.18987	5.7
235.20589	3.5
239.14558	3.1
241.19574	5.5
245.18997	18.9
253.19554	4.9
255.21140	10.1
257.18896	3.4
259.20541	3.4
261.22189	5.8
267.70999	3.0
269.22623	5.5
271.20505	4.9
273.22052	20.9
275.20181	4.6
275.23529	5.8
283.20633	6.2
287.23688	10.3
301.21671	24.7
337.25388	4.6
339.12299	3.6
353.28424	3.3
357.18781	4.3
389.32120	7.6
399.20059	16.9
407.33170	60.2
425.34222	60.1
443.13141	14.0
443.18872	39.2
443.35690	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3524
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05510	24.2
57.07076	5.1
65.03940	5.1
67.05505	30.9
69.07059	33.7
69.38420	33.2
73.19267	4.7
79.05495	42.9
81.07058	58.2
81.28646	4.9
83.04993	9.7
83.08619	22.4
85.06557	7.1
91.05478	40.5
91.49820	4.6
93.07046	73.8
95.04971	6.7
95.08611	80.0
96.08889	4.9
97.06516	9.6
97.10167	4.9
99.04507	6.8
99.08094	32.9
105.07039	83.1
107.08595	100.0
108.08941	4.7
109.06523	8.6
109.10156	66.8
111.08084	9.3
117.07021	18.9
119.08582	89.4
121.06520	10.5
121.10158	75.2
122.52743	5.0
123.08053	11.1
123.11722	33.7
125.09657	11.4
127.07537	5.8
129.06964	6.7
131.08563	44.8
133.06508	8.1
133.10133	77.7
135.08051	18.0
135.11699	43.1
136.12032	5.5
137.09619	11.5
139.11223	5.4
142.07733	6.6
143.08553	31.3
145.06441	5.2
145.10126	52.3
147.08029	7.2
147.11682	57.0
148.12024	4.4
149.09628	12.0
149.13260	33.3
151.11194	4.8
153.12709	6.2
155.08499	5.2
156.09364	5.5
157.10178	22.7
159.08220	5.4
159.11717	48.9
160.12096	5.5
161.09633	10.8
161.13269	26.8
163.11163	7.6
163.14821	23.9
165.12814	6.4
169.10109	13.6
170.10970	6.2
171.11714	27.9
173.13303	39.3
174.13594	7.3
175.11182	13.8
175.14845	24.4
177.12766	12.9
177.16386	19.7
179.14388	6.1
181.10110	5.2
182.10918	5.5
183.11699	17.9
185.09650	5.5
185.13286	20.1
187.11208	9.1
187.14848	46.6
189.12816	5.3
189.16454	26.1
191.10661	5.7
191.14247	8.6
191.17931	6.6
193.15913	7.8
195.11739	5.1
195.13712	4.8
197.13306	7.4
199.14821	17.8
201.16408	29.5
202.16966	5.6
203.14334	20.0
203.18001	20.8
205.15894	49.6
207.17424	12.0
209.13092	5.3
211.14807	8.2
213.16362	14.0
215.14357	6.8
215.17992	13.1
217.16010	7.1
217.19376	5.9
219.17471	8.4
221.15413	8.3
223.14806	6.7
223.16957	18.6
225.16479	6.7
227.18008	6.3
229.15868	10.5
245.18939	7.5
253.19678	6.6
255.21150	5.2
283.20526	5.0
403.94376	4.8
407.33038	21.6
425.29312	9.7
425.34888	40.2
443.30392	19.3
443.34933	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05506	11.1
57.03432	2.9
57.07083	3.9
59.98343	2.6
63.76085	2.9
67.05507	22.9
68.84408	2.3
69.07070	21.9
71.05009	3.6
71.49101	4.7
76.17931	2.7
79.05500	17.9
81.03420	3.1
81.07062	46.0
83.04963	6.0
83.08617	8.5
85.02901	3.4
87.04448	2.8
91.05477	29.0
93.06491	3.7
93.07048	41.4
94.25082	2.6
95.04986	5.6
95.08616	62.0
97.06534	4.6
97.10172	7.2
103.05511	3.4
105.03390	5.2
105.07040	61.6
107.08595	50.0
109.06535	10.8
109.10172	37.5
109.72229	2.8
111.08070	4.6
111.28786	2.9
117.07021	10.1
117.57694	3.4
119.04961	3.9
119.08588	51.4
120.08883	2.9
121.06512	8.1
121.10146	42.0
122.10558	2.8
123.04466	3.6
123.08081	4.6
123.11728	13.5
125.06043	4.0
125.09648	3.6
131.08559	23.1
133.10147	48.2
135.08099	6.2
135.11717	23.9
137.09653	3.5
142.07787	4.9
143.08571	9.6
144.09341	3.7
145.02878	4.8
145.10114	25.9
147.04448	6.0
147.08023	5.2
147.11705	34.6
149.09575	6.9
149.13281	21.9
151.11096	3.6
155.24268	2.5
156.09343	3.5
157.10173	13.7
159.11710	20.2
161.09601	7.9
161.13255	24.4
163.11157	7.7
163.14857	24.5
165.12779	5.0
167.07013	3.2
169.10112	3.5
170.10939	3.3
171.11674	8.2
173.13277	23.1
175.07672	3.9
175.11229	5.9
175.14842	35.4
175.45361	2.9
177.05499	4.5
177.16382	10.4
183.11797	5.0
185.13264	8.3
187.14822	17.3
189.12711	3.7
189.16402	13.6
191.14336	14.9
191.17947	20.1
195.11639	2.8
199.14873	10.1
201.16385	11.6
203.14427	14.1
203.17979	100.0
205.15828	4.7
211.14977	4.1
213.16418	9.5
215.17990	7.1
217.15933	6.1
217.19536	21.3
221.15349	9.9
235.17076	3.8
239.16429	11.5
241.19391	3.1
243.21021	3.9
271.24323	3.7
281.22293	2.8
349.28787	3.1
389.31842	5.2
395.14893	3.2
395.32986	3.7
407.33139	9.8
423.66339	2.8
425.34750	17.8
443.18896	4.5
443.25391	17.8
443.35623	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
53.20078	3.3
55.05502	12.6
57.07081	4.5
62.08884	3.8
65.03938	4.1
67.05508	31.5
69.07075	26.3
70.72314	11.8
71.05006	5.0
79.05502	31.0
81.07068	57.2
83.04978	8.3
83.08624	14.9
85.06578	5.9
91.05478	33.0
93.06494	5.2
93.07043	61.9
95.04955	7.9
95.08611	81.2
97.06536	6.9
99.08096	21.6
105.07040	66.5
107.08607	84.4
108.08893	4.8
109.06502	8.3
109.10157	41.5
111.08055	6.1
113.09621	5.8
115.05383	3.5
117.06998	17.3
119.08590	100.0
121.06496	8.5
121.09330	7.5
121.10133	70.9
123.08078	9.6
123.10861	3.6
123.11662	23.9
125.09641	6.1
128.06230	5.0
129.07031	8.0
131.08563	40.8
133.06496	4.2
133.10139	79.4
135.08055	20.2
135.11703	45.4
137.09654	7.0
137.13362	3.9
139.11220	6.0
142.07782	5.3
143.08574	23.7
144.09258	3.9
145.10136	60.1
147.08051	5.9
147.11690	44.9
149.09601	12.8
149.13297	19.5
151.11145	6.4
155.08629	6.8
156.09315	4.3
157.10118	21.0
159.11700	41.6
161.09676	6.8
161.13263	31.3
163.11142	14.6
163.14833	19.3
165.09152	4.1
165.12753	6.2
169.10138	7.7
171.11658	22.4
173.09564	3.5
173.13284	34.0
173.31708	3.9
175.11241	8.4
175.14853	27.2
177.12750	11.6
177.16359	18.2
183.11679	11.0
184.86992	3.8
185.13313	22.0
187.14850	40.1
189.12703	7.8
189.16393	16.4
191.14333	19.6
191.18036	6.5
195.13846	4.3
197.13229	5.1
199.14862	14.3
201.16367	27.5
203.14412	12.4
203.18025	9.0
205.15874	68.5
207.17456	5.5
209.13419	3.8
213.16356	10.9
215.17950	12.2
217.15800	9.4
219.14006	4.1
219.17380	15.6
220.89549	4.2
223.14975	5.7
223.16933	9.5
225.16534	4.8
227.17999	11.5
229.15987	4.2
229.19524	7.3
231.17490	6.8
239.17903	4.5
257.19000	3.9
269.22858	4.0
271.20651	4.4
273.22241	8.7
379.29880	7.2
381.23758	3.7
381.31610	4.5
397.31000	6.3
407.33502	24.2
413.34250	4.9
425.34967	32.8
443.30139	30.2
443.35187	46.1
444.35773	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	443.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	15.2
57.07102	5.9
63.43644	3.3
65.80833	3.3
67.05510	24.0
69.03445	4.9
69.07073	22.3
71.49934	3.7
79.05500	20.4
81.03404	3.3
81.07064	50.8
83.04974	6.4
83.08616	8.0
85.02917	4.3
91.05478	24.9
93.07056	53.8
95.04946	7.3
95.08064	6.4
95.08619	72.7
95.09188	6.0
96.08977	3.3
97.06575	7.4
97.10215	6.8
98.21524	3.2
105.03408	5.3
105.07047	65.7
107.08601	62.4
109.06541	10.7
109.10166	41.1
117.07028	9.6
119.08603	68.9
121.06557	8.1
121.10155	49.1
123.08082	10.8
123.11721	11.4
125.09624	3.9
128.06204	4.4
129.07030	5.8
131.08595	28.6
133.06598	3.3
133.10149	45.2
135.08069	6.8
135.11754	18.4
137.09663	6.4
139.77048	3.2
143.08598	11.7
145.10156	33.3
147.04454	6.1
147.08095	7.3
147.11699	47.3
149.09671	4.5
149.13298	26.7
151.11189	8.5
156.09380	3.8
157.10187	18.3
159.11734	40.6
161.09648	6.9
161.13301	23.9
163.11195	6.6
163.14835	24.3
165.12770	4.6
167.07080	4.3
171.11658	7.1
173.13292	23.8
175.11230	9.2
175.14850	34.6
177.05475	5.0
177.12724	5.1
177.16331	18.0
179.14143	3.3
183.11629	4.6
185.13284	8.7
187.14856	15.5
189.12752	5.1
189.16441	12.4
191.14296	15.2
191.18011	19.5
193.16006	3.7
199.14853	10.9
201.16422	9.8
203.14352	12.7
203.17972	100.0
204.18347	5.1
209.13388	3.9
211.14821	3.8
213.16455	9.6
215.18050	7.7
217.16040	7.4
217.19594	19.6
221.15381	12.1
239.16444	9.7
245.22717	4.6
257.22714	4.0
380.47787	3.3
389.32315	4.7
407.33133	9.0
425.34644	20.9
443.24969	29.9
443.35770	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3521
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.82067	5.8
55.05501	19.3
62.08888	6.7
67.05505	30.2
69.07052	15.0
69.34068	19.6
69.34496	28.1
79.05508	27.0
81.07056	55.2
83.08625	9.7
91.05489	25.9
93.07038	63.3
95.04976	18.1
95.08602	80.2
98.21532	6.9
99.08128	15.4
103.18321	6.0
105.07037	71.6
107.08591	88.4
109.09521	8.5
109.10146	44.5
111.08110	10.8
117.07029	8.2
119.08580	100.0
121.06518	33.7
121.10161	62.1
123.08072	17.2
123.11717	25.2
125.09650	8.3
131.08566	40.1
133.10126	86.9
135.08148	13.7
135.11690	36.8
137.13264	6.3
143.08514	13.7
145.10138	53.6
147.11674	52.6
149.09618	12.9
149.13254	43.3
157.10158	16.3
159.08092	6.9
159.11632	37.4
161.09624	20.1
161.13272	21.6
163.11197	35.6
163.14798	24.9
165.12856	6.6
169.10149	6.0
171.11711	13.8
173.13290	25.1
175.11209	12.7
175.14854	26.5
177.12834	6.7
177.16394	14.7
179.10638	6.7
180.25995	6.0
185.13286	10.8
187.14821	42.5
189.12642	8.1
189.16417	12.9
191.14305	10.2
193.12247	12.2
197.13315	5.5
199.14827	17.9
201.16447	17.0
203.14307	13.5
203.18030	28.5
205.15868	24.6
213.16391	17.9
215.17966	15.8
217.15730	10.8
223.17021	7.4
231.17413	6.8
245.19093	7.0
255.21234	7.4
267.56009	6.4
309.39014	6.2
390.43625	5.7
395.33051	14.5
407.33145	28.4
413.34436	13.9
425.34262	62.7
443.35370	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3522
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03947	1.0
55.05503	2.7
60.49282	0.8
67.05502	4.5
69.07063	4.1
70.15531	2.5
79.05508	4.8
81.07053	10.1
83.04969	1.0
83.08627	4.4
91.05482	3.5
93.07051	10.6
95.04956	1.0
95.08614	16.5
96.99375	0.7
97.06509	1.3
97.10193	1.0
99.08109	1.1
105.07039	8.4
107.08595	15.1
109.06541	3.0
109.10166	11.3
111.08097	1.5
112.96110	0.7
113.65867	0.8
117.07022	1.1
119.08590	10.5
121.06509	2.2
121.10158	15.7
121.11042	0.8
123.08067	6.5
123.11714	2.9
125.09658	0.9
129.06932	1.0
131.08575	7.5
133.10138	8.6
135.08057	4.2
135.11703	5.5
143.08508	1.6
145.10149	9.3
147.11696	11.3
149.09641	2.4
149.13260	8.4
151.11194	2.1
157.10167	2.3
159.11717	8.0
161.13281	4.8
163.11209	2.5
163.14828	8.2
170.10934	0.8
171.11725	1.9
173.13295	3.6
175.14844	3.4
177.12839	2.0
177.16400	7.5
179.14270	0.9
185.13289	2.6
187.14838	15.2
189.12770	1.1
189.16460	2.2
191.14372	1.5
191.17964	1.0
197.13307	0.7
199.14876	2.1
201.16367	5.7
203.14400	1.1
203.18018	1.1
205.15891	50.3
206.16199	0.9
213.16429	2.1
215.17992	3.3
219.17497	2.4
223.16937	6.0
227.18010	0.8
229.19595	1.1
233.19034	1.1
255.21111	1.6
257.18936	0.8
269.22595	1.2
347.25821	12.2
373.27390	4.5
407.33218	1.9
425.34448	7.8
443.35272	100.0
444.35587	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.43956	5.0
55.05515	12.1
67.05503	21.9
69.07064	20.5
77.15014	4.3
79.05501	22.5
79.58534	4.5
81.07063	43.1
83.08643	6.5
91.05473	22.0
93.07043	46.2
95.05009	6.5
95.08608	60.5
97.06557	4.4
97.10162	7.1
98.21560	8.6
99.08101	34.7
105.07045	53.1
107.08601	80.3
109.06467	4.7
109.10165	55.9
117.07033	6.6
119.08582	59.2
121.10155	73.6
123.08084	9.8
123.11715	13.9
125.09599	8.2
127.07567	11.3
131.08592	30.4
133.10132	60.8
135.08063	10.4
135.11687	28.2
135.12584	5.0
137.09581	6.2
137.13248	6.0
143.08600	8.3
145.10133	53.0
147.11696	60.3
148.12033	5.7
149.09769	4.4
149.13300	30.8
151.11142	9.1
157.10107	12.8
159.11705	40.4
161.13301	24.8
163.11234	6.1
163.14827	32.0
171.11716	14.3
173.13284	23.1
175.14859	22.6
177.12823	5.5
177.16422	24.7
183.11725	7.9
185.13243	17.9
187.14838	73.1
189.16383	17.8
191.14273	9.4
191.18001	8.9
199.14806	13.8
201.16397	44.7
203.17989	8.1
205.15871	82.1
207.17337	5.8
211.14796	5.6
213.16318	14.4
215.17941	15.4
217.15916	4.7
217.19522	5.0
219.17468	18.0
223.16942	18.8
227.17998	7.4
231.17442	10.9
231.67731	4.7
239.17937	6.2
249.18607	5.3
255.21091	9.5
269.22778	6.2
272.02362	4.6
352.95648	6.1
385.30792	6.6
407.33270	44.6
425.34229	78.5
443.35205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
52.21775	4.2
55.05497	13.6
57.07065	4.9
67.05504	25.4
69.07072	24.9
69.35559	30.3
69.35976	8.9
79.05484	25.5
81.07053	52.5
83.08625	15.3
87.54802	4.1
91.05465	19.3
93.07050	52.3
95.08613	76.3
97.10208	5.6
98.20773	9.1
99.08096	64.8
105.07028	39.9
107.08601	86.8
109.06516	5.5
109.10164	62.8
111.08099	8.3
117.07037	12.1
119.07733	4.0
119.08582	83.3
121.10149	72.7
123.08028	7.9
123.11729	21.2
127.07561	32.9
129.07008	6.2
131.08559	23.9
133.10146	77.1
135.08057	9.6
135.11696	48.2
137.09590	4.4
137.13269	6.9
143.08527	8.5
144.09337	4.8
145.10136	43.6
147.11687	48.7
149.13290	32.7
151.11151	8.9
156.09296	5.6
157.10100	23.2
159.11696	45.4
161.13268	41.1
163.11148	12.2
163.14798	26.0
169.10110	7.6
170.10838	7.6
171.11679	20.3
173.13283	31.8
174.13795	5.5
175.11195	5.9
175.14717	23.7
177.16399	19.1
183.11655	9.5
185.13297	29.1
187.14801	49.5
189.12756	8.1
189.16403	21.5
191.14250	8.7
191.17944	13.4
197.13235	5.0
199.14828	21.1
201.12695	7.7
201.16396	29.1
203.14360	6.4
203.17944	19.4
203.77182	4.5
205.15926	53.9
211.14877	5.9
213.16446	17.2
215.17986	15.6
217.15828	11.3
217.19489	10.7
219.13815	7.9
219.17487	22.4
221.15388	7.8
223.17017	6.8
225.16344	4.6
227.17987	11.2
231.17424	18.1
235.16914	7.0
245.22560	6.3
249.18462	13.8
255.21132	5.1
315.23215	5.6
327.26871	6.0
360.45770	5.0
367.30099	8.5
385.30685	5.3
407.33307	47.8
415.35754	6.9
425.34308	100.0
443.35529	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.05510	14.6
55.41022	2.4
57.07065	6.9
58.57285	2.6
67.05508	28.7
68.12295	2.5
69.07076	20.7
71.00343	5.1
71.05014	3.4
79.05495	28.8
81.07061	49.2
83.08612	12.7
85.06525	4.8
87.04428	2.7
91.05481	31.1
93.06496	4.3
93.07050	64.5
95.04965	4.0
95.08614	70.3
97.10144	2.9
99.08086	6.9
105.07037	54.4
107.08604	100.0
109.06485	3.0
109.10162	80.0
111.08152	3.1
117.07038	14.6
119.08589	74.6
121.10149	72.0
123.08006	4.1
123.11707	19.8
125.09624	5.3
127.11113	2.5
128.06174	2.9
129.07037	5.8
130.07751	2.7
131.08562	31.3
133.10132	60.2
135.08067	3.1
135.11711	35.3
137.09627	3.8
137.13232	5.1
139.11176	5.2
142.07765	3.2
143.08577	20.6
144.09319	4.1
145.10127	51.1
147.11690	54.3
149.09607	2.7
149.13248	25.2
151.11176	9.8
156.09381	3.5
157.10147	25.7
159.11697	52.7
161.13240	26.8
163.11172	5.0
163.14832	35.0
165.12849	3.5
169.10097	8.1
170.10873	8.7
171.11713	27.6
172.12546	3.2
173.13277	34.9
175.11206	2.8
175.14841	23.1
177.12755	12.1
177.16376	7.8
181.10165	3.3
183.11685	12.8
185.13271	38.3
187.14803	39.9
189.16418	12.7
191.14243	7.1
191.17961	8.7
195.11661	2.7
195.13747	9.2
197.13316	11.8
199.14824	21.5
201.16415	33.1
203.14285	4.9
203.17957	11.6
205.15892	30.4
208.64192	2.8
211.14861	4.8
213.16373	11.6
215.17947	15.4
217.15894	5.0
217.19524	7.6
219.17424	6.6
221.15312	4.7
223.15031	3.3
223.16971	11.4
225.16443	4.9
227.17935	11.1
229.19580	5.5
231.17509	5.5
233.19000	5.4
239.18057	3.1
241.19527	6.3
245.19016	9.9
247.20624	2.6
251.17879	3.1
253.19487	7.0
255.21175	14.7
259.20529	5.8
261.22217	7.9
271.20563	6.6
273.22131	22.2
275.23688	6.2
279.21216	2.6
283.20554	7.0
287.23740	14.7
301.21591	11.5
327.26752	8.3
353.28329	3.5
365.27747	3.3
369.31595	3.2
407.33185	47.4
425.34097	53.0
426.34708	2.7
443.18732	13.6
443.35239	43.3
444.19193	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	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05506	17.1
57.07081	6.2
61.43542	4.7
65.29251	4.8
67.05502	29.0
69.07065	20.8
69.25437	45.5
69.25863	10.0
71.07320	5.9
76.37276	5.1
79.05497	24.1
81.07055	53.8
83.08630	12.5
85.06535	6.9
91.05482	32.4
93.07053	69.6
95.08607	79.1
98.21521	11.7
99.08108	11.1
101.95773	5.3
105.07031	46.0
107.08595	100.0
109.06559	6.2
109.10162	93.5
111.08047	6.1
117.07009	7.1
119.08583	90.8
121.10145	70.8
123.11674	26.3
125.09666	7.8
129.06995	5.6
131.08580	37.0
133.10135	94.1
135.11678	39.1
136.52032	6.6
137.13275	6.0
139.11156	9.0
143.08559	19.0
145.10126	52.8
147.11690	60.8
149.13263	35.4
151.11147	6.7
157.10118	33.3
159.11714	53.6
161.13280	28.8
163.14842	45.7
169.10095	7.6
171.11707	23.9
173.13284	31.1
175.14786	28.7
177.12776	22.8
177.16377	15.9
178.50372	5.7
183.11723	20.3
185.13303	43.7
187.14830	36.7
189.16400	23.0
191.14305	13.9
195.13863	17.0
199.14796	23.0
201.16379	34.4
203.14330	6.8
203.17979	13.8
205.15903	39.7
211.14978	7.3
213.16351	14.3
215.18001	19.0
217.19527	11.9
219.17482	7.8
221.15279	10.2
223.16849	13.1
225.16679	6.7
227.18001	17.7
231.17352	9.6
245.19009	20.5
247.20511	7.7
255.21085	12.3
261.22086	11.9
267.21158	5.8
271.20432	7.9
273.22137	23.9
275.23657	13.0
285.22089	6.7
287.23810	14.2
301.21652	16.4
327.26981	10.1
363.29037	7.4
378.91504	6.8
407.33057	74.5
425.34103	76.5
443.35266	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05515	11.2
57.07079	6.0
67.05518	24.1
68.74775	3.9
69.07076	26.5
69.43467	27.8
71.11353	3.5
79.05509	19.4
81.07061	39.0
83.08632	10.1
85.06544	4.8
91.05490	21.2
93.07056	41.0
95.08619	70.1
99.08102	92.9
105.07047	47.8
107.08607	70.5
109.06574	4.1
109.10175	55.5
111.08099	7.9
117.07028	6.1
117.28087	3.4
119.08594	85.3
121.10162	56.0
123.08105	5.7
123.11720	15.7
125.09632	5.6
127.07564	39.4
129.07051	4.2
131.08574	25.1
133.10146	70.9
135.11726	45.4
137.09621	4.5
137.13284	8.8
143.08559	17.6
145.10149	36.3
147.08095	6.9
147.11685	48.5
149.13283	44.5
151.37024	3.5
157.10147	31.4
158.10861	7.4
159.11723	31.5
161.13293	37.8
163.11259	5.1
163.14827	26.2
165.12753	4.3
169.10091	7.3
170.10889	8.1
171.11674	24.4
173.13374	26.0
175.11269	6.9
175.14845	23.4
177.16444	15.5
183.11824	4.1
185.13290	21.0
187.14830	30.1
189.12891	4.9
189.16362	22.1
191.14383	5.4
191.17966	12.6
197.13335	6.2
199.14885	24.6
201.12802	7.3
201.16432	23.5
203.14291	9.6
203.17987	22.5
205.15944	14.3
213.16399	25.6
215.17949	11.8
217.15892	13.2
217.19469	9.3
219.13876	12.6
219.17447	8.0
221.15491	4.7
227.18054	7.4
231.17410	28.3
235.17027	5.2
239.17847	4.4
241.19467	4.3
245.19023	4.5
249.18529	14.0
253.19458	5.3
315.22964	4.5
327.26855	6.1
341.28299	4.6
351.26828	4.6
357.31323	4.2
367.30011	11.8
369.31604	7.4
385.31067	10.0
395.33212	3.9
397.34503	4.9
407.33109	48.3
425.34198	100.0
426.34406	4.1
443.35263	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	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
54.48536	2.3
55.01871	3.7
55.05516	28.8
57.07093	2.9
59.05015	2.7
67.05522	18.0
67.37099	2.6
69.07077	21.1
72.40296	2.3
79.05501	14.3
81.07057	30.0
83.08637	24.6
85.06532	2.5
91.05476	14.8
93.07042	33.0
95.08614	48.2
97.06516	3.8
97.10185	4.0
99.08118	8.0
105.07031	29.6
107.08602	44.3
109.06493	4.5
109.10161	40.0
111.08096	6.7
113.09657	6.6
117.07054	5.4
119.08588	44.5
121.10149	37.2
123.08093	5.2
123.11716	14.1
125.09643	2.7
131.08586	19.6
133.10139	35.0
135.08086	6.5
135.11703	29.6
135.76030	2.6
137.09622	3.5
139.11177	4.7
142.07773	2.8
143.08597	9.4
145.10156	29.8
147.11710	27.1
149.09644	7.3
149.13283	15.4
151.11244	6.1
153.12794	2.8
157.10167	10.2
159.11687	29.8
161.13254	18.6
163.11198	5.4
163.14813	12.1
167.71400	2.7
171.11711	9.9
173.13271	15.9
175.14867	15.0
177.12741	4.6
177.16393	10.1
179.14246	2.5
183.11749	5.9
185.13284	10.9
187.14842	34.6
189.12764	2.7
189.16405	17.0
191.14323	4.9
195.13841	3.2
199.14902	5.7
201.16377	28.6
203.14441	4.4
203.17986	7.3
205.15892	41.9
207.17479	4.0
211.14862	2.7
213.16443	6.7
215.18002	6.3
219.17468	14.1
223.15010	3.7
223.16823	12.0
225.16504	4.1
227.17973	4.6
229.19606	4.6
231.17557	4.1
241.19550	2.8
245.19083	4.0
255.21010	4.4
257.22922	2.3
261.22195	3.1
267.20944	3.0
271.20605	3.9
273.22189	5.5
301.21661	4.2
304.97269	2.8
337.25305	2.8
355.26511	3.7
373.27515	4.8
389.32242	3.1
407.33154	21.8
425.34259	49.0
432.73294	3.0
443.35318	100.0
455.03073	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	443.316
Annotation	Paxisterol
Peak:m/z	Relative Intensity
54.05170	2.2
55.05494	7.8
59.35231	2.6
67.05501	13.1
69.03413	4.0
69.07062	7.8
69.61420	11.8
79.05500	14.1
81.07053	24.9
83.08624	8.1
89.60248	2.1
91.05478	15.9
93.07052	28.4
94.07360	3.0
95.04937	3.2
95.08613	32.9
97.45112	2.2
99.08100	9.1
105.07025	26.6
107.07885	3.4
107.08596	49.1
108.08903	2.3
109.06520	6.6
109.10162	25.5
111.08118	3.5
117.07020	5.4
119.08595	43.0
121.06525	6.1
121.10150	33.5
123.08092	15.5
123.11708	15.6
125.09622	8.0
129.07010	3.1
131.08548	15.4
133.10146	32.4
135.08055	9.2
135.11702	26.3
136.00772	2.4
137.01225	2.6
137.09615	10.8
137.13234	3.4
142.07718	2.7
143.08583	8.8
145.10132	28.9
147.08014	2.9
147.11700	21.7
149.09576	6.7
149.13290	15.3
151.11165	3.8
155.08571	3.8
157.10098	12.3
159.11694	27.0
161.09619	6.1
161.13269	9.0
163.11165	6.9
163.14798	9.0
165.12752	62.1
169.10144	3.7
170.10950	3.1
171.11691	12.5
173.13284	12.5
175.11148	5.0
175.14859	14.0
177.12817	7.0
177.16414	5.2
183.11681	8.1
185.13252	14.4
187.11230	4.4
187.14838	24.8
189.12697	5.7
189.16403	4.4
191.14317	5.3
193.12273	19.3
195.11801	3.8
197.13286	6.8
199.14796	10.0
201.12709	4.7
201.16402	7.5
203.14288	9.1
203.17976	6.3
205.12218	3.1
205.15880	19.6
209.13252	4.3
211.14883	5.0
213.16423	4.2
215.14308	7.0
215.17915	3.6
217.15775	4.5
219.13840	3.3
219.17499	3.1
221.15341	7.2
223.14963	3.1
225.16446	4.1
227.17886	3.1
229.15941	4.5
237.16368	4.1
239.18024	3.5
255.17400	3.9
257.18942	5.0
259.16913	4.7
269.18909	3.2
281.18759	2.9
347.26151	6.1
354.63208	2.7
373.27621	3.7
389.28091	5.5
407.28809	15.1
407.33786	5.8
425.30054	62.5
443.30856	100.0
443.36496	5.9
444.31729	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
52.87920	1.9
53.08555	2.0
54.69738	2.2
55.05503	8.2
57.07081	2.1
67.05513	11.7
69.07062	9.0
69.42085	4.8
69.42492	9.8
79.05499	9.1
81.07059	22.0
83.08611	8.2
91.05482	10.7
93.07047	21.0
95.04987	2.6
95.08613	26.2
99.08073	11.0
105.07046	19.7
107.08611	31.4
109.06503	4.8
109.10169	19.3
111.08128	2.8
119.08592	30.7
121.06556	2.7
121.10172	21.4
123.08079	14.3
123.11724	7.3
125.09614	2.6
129.06999	3.3
131.08553	12.2
133.10117	24.7
135.08047	8.3
135.11710	17.1
137.13197	2.5
139.11198	3.5
143.08606	4.7
143.12195	1.9
145.10139	21.4
147.11708	23.3
149.09680	3.6
149.13231	12.1
151.11226	3.1
155.08635	2.2
157.10107	9.5
159.11703	18.1
161.13264	11.4
163.11125	2.9
163.14853	9.5
171.11700	6.6
173.13286	9.0
175.14857	7.3
177.12804	3.9
177.16429	5.7
181.96147	1.9
183.11845	2.5
185.13313	5.9
187.14856	20.0
187.16360	3.4
189.16447	5.1
191.17960	3.7
197.13246	3.0
199.14772	3.8
201.16406	14.4
203.14507	2.2
203.18013	3.9
205.15886	30.4
213.16443	3.4
215.18028	2.6
219.17412	3.1
223.16916	7.4
227.17958	2.7
231.17351	2.1
241.33876	1.9
255.21248	2.5
257.22424	1.9
267.21051	2.2
273.22287	2.4
301.21686	8.1
347.25809	27.6
357.27710	2.9
365.28354	2.5
373.27420	10.1
401.73776	2.1
407.33209	8.2
425.34070	12.5
443.35184	100.0
444.35339	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	443.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03476	3.7
55.04249	4.2
61.02913	0.8
69.03417	2.4
70.52840	1.1
70.53207	1.3
73.11459	0.7
73.38009	0.5
80.05019	0.9
81.03392	0.8
81.04543	20.7
82.05321	10.0
85.02902	3.1
85.60027	0.6
86.98002	0.6
87.04475	1.0
97.02872	1.5
97.07654	0.9
98.97583	1.1
101.83871	0.6
108.05613	0.9
118.73376	0.5
122.07153	100.0
123.07936	97.3
142.03258	0.7
144.04767	1.2
146.84764	0.7
146.98370	0.7
153.01790	1.6
153.93216	0.7
158.99739	0.7
160.04253	1.9
163.03944	4.2
165.07747	3.5
172.04253	1.7
191.03438	4.2
219.03038	1.0
246.99876	0.9
247.02386	17.5
247.04822	1.3
275.01871	9.6
276.02655	1.3
281.10666	62.5
282.11127	1.3
292.04712	0.6
303.01495	0.6
323.11722	1.4
352.99265	0.7
383.79282	0.6
443.02747	2.6
443.15979	73.6
444.16245	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.9
53.03951	3.1
53.96350	0.3
55.01880	0.6
55.05509	1.1
63.02399	1.1
64.59229	0.3
67.05502	1.5
69.03429	1.6
69.07082	1.0
70.21513	0.9
70.21872	0.8
71.05016	0.5
77.03940	1.2
78.04740	0.4
79.05498	1.3
81.03419	0.8
81.07054	2.4
83.08622	0.5
86.34318	0.4
89.03920	9.3
91.05486	1.7
93.07037	2.4
95.04984	3.3
95.08604	3.2
97.06561	0.5
98.21455	0.4
99.08123	0.6
103.05482	0.6
105.03400	41.7
105.04537	1.5
105.07025	2.3
106.04232	0.8
107.08610	3.2
108.08968	0.5
109.02869	1.8
109.10174	1.6
109.55872	0.3
111.08064	0.5
117.03388	27.0
117.07042	0.9
119.04966	0.5
119.08588	2.7
121.06556	0.5
121.10163	2.2
123.11679	0.5
127.03874	0.4
128.06247	0.6
129.06981	0.8
131.04968	0.5
131.08600	1.5
133.10170	1.7
134.03654	1.9
135.04399	1.2
135.08037	0.7
135.11702	1.0
137.06000	0.5
137.13231	0.4
143.08554	0.9
144.05656	0.6
145.02856	59.9
145.10101	2.1
147.04376	0.5
147.07999	0.5
147.11694	1.4
149.06000	8.7
149.13271	0.8
155.04903	0.7
157.06477	0.8
157.10130	1.2
159.08070	0.4
159.11734	1.6
161.13251	0.5
163.11156	0.5
163.14847	0.6
165.05484	0.8
167.07175	0.4
169.10143	0.4
171.11652	0.7
173.05960	0.4
173.13258	1.1
174.06795	0.5
175.07545	0.8
175.14832	0.7
177.05479	100.0
177.16399	0.5
183.11743	0.4
185.05980	0.5
185.13266	0.8
186.05527	0.9
187.07570	1.2
187.11177	0.5
187.14804	1.0
188.15080	0.4
189.05460	1.0
189.12758	0.7
189.16293	0.4
199.07524	1.2
199.14784	0.7
201.05525	1.2
201.16386	0.9
203.14256	0.6
205.15895	1.6
211.03802	0.5
215.07007	3.5
217.08716	1.8
231.06453	0.8
233.08070	1.3
241.08556	0.7
243.06557	2.4
257.08081	2.2
261.07587	9.2
285.07498	2.9
303.08618	1.8
407.33145	0.4
413.32593	0.4
418.64053	0.4
424.32819	0.7
425.12305	0.5
425.34146	0.7
442.33923	0.7
443.13245	0.8
443.26883	0.5
443.34949	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1316
Annotation	Pratensin A
Peak:m/z	Relative Intensity
54.73361	0.6
55.05500	1.2
66.38067	0.5
67.05500	1.9
69.03431	1.4
69.07070	1.0
69.84324	2.1
69.84729	1.2
71.04984	1.2
79.05492	1.6
81.03416	0.7
81.07050	2.9
84.08148	3.2
85.06595	0.6
91.05476	4.1
93.07048	3.8
95.08610	3.0
97.06592	0.7
97.10648	0.6
98.20791	0.8
105.07034	2.9
107.04953	0.9
107.08599	3.1
109.06570	0.7
109.10160	1.1
111.08163	0.6
119.04950	2.3
119.08588	3.0
121.10160	2.2
123.08154	0.7
125.06000	0.6
127.03898	0.9
129.07007	0.9
131.08615	1.6
133.10146	1.7
134.90285	0.6
135.11703	1.5
136.72595	0.7
137.05962	0.7
137.09612	0.8
143.08569	1.1
145.02872	1.2
145.10175	2.3
147.04433	4.5
147.11684	1.9
155.08617	0.9
157.10179	1.5
159.08012	0.8
159.11719	2.0
161.09651	0.8
165.09113	1.0
167.07080	1.5
171.11720	1.2
173.02115	18.4
173.13287	1.2
175.11226	0.9
177.05490	2.2
185.04236	2.2
185.13191	0.9
187.14850	1.0
189.16414	0.7
190.02353	0.8
191.14149	0.6
194.94655	0.5
199.07576	0.6
201.16370	0.7
205.15868	1.1
210.71729	0.7
244.98528	0.6
247.07802	0.6
253.15964	0.7
281.04880	1.2
281.07864	13.0
284.77640	0.7
316.00937	0.6
335.07388	1.0
339.12494	1.3
425.26263	0.8
443.13174	100.0
443.31580	1.6
444.13495	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
66.30997	2.1
69.03423	3.2
69.50466	9.4
69.50886	6.2
73.02914	4.4
77.45128	2.1
81.03394	2.1
85.02900	3.8
94.93001	2.9
97.02916	3.1
98.97578	12.1
101.00861	3.2
110.97544	2.7
112.89612	31.8
114.89355	31.4
116.89133	2.7
116.98634	3.9
119.01873	8.0
124.99108	2.3
140.02353	2.2
143.01921	4.2
145.03525	4.1
146.02353	2.4
148.30186	2.0
155.02859	2.5
157.03560	4.7
158.99698	4.1
161.02971	9.1
170.99667	4.8
178.93500	3.0
182.97272	4.8
185.03047	6.1
189.00719	3.1
191.03928	6.4
201.00710	5.1
203.04044	3.1
212.84184	3.8
212.85330	2.5
212.95688	6.5
216.01141	2.2
219.01785	5.0
221.05081	8.7
237.02873	2.2
239.06155	5.4
261.02780	4.4
263.06137	100.0
268.98282	43.3
270.98059	13.8
272.06491	16.0
279.03845	3.5
280.97058	2.5
281.06998	3.6
345.00043	3.5
383.10651	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	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05510	9.8
55.23483	4.4
61.74326	5.0
67.05502	18.7
69.07062	23.0
69.15782	5.0
69.16376	46.6
79.05482	11.7
81.07066	51.9
81.40746	4.1
83.08622	8.2
85.06561	15.8
91.05488	12.2
93.07056	42.0
95.08604	100.0
98.20741	10.6
105.07023	35.2
107.08601	77.3
109.10160	59.5
111.08091	7.2
112.12020	4.7
113.09650	8.0
119.08585	60.8
121.10146	70.8
123.11719	33.4
131.08589	20.1
133.10161	36.4
135.11699	48.0
137.13258	8.7
141.87242	4.7
145.10114	25.9
147.11682	37.9
149.13268	39.2
159.11725	25.2
159.24020	4.8
161.13280	46.5
163.14813	47.3
173.13309	27.9
175.14847	35.4
177.16408	17.7
179.14388	9.0
187.14848	18.1
189.16411	40.0
191.14310	9.9
191.17966	77.9
193.15907	6.3
201.16432	27.7
203.17989	33.0
205.15897	10.6
205.19604	11.1
215.18001	41.0
217.19502	13.4
219.17458	11.7
227.18015	8.4
229.19482	8.9
231.17580	6.1
233.18971	29.9
233.25389	5.0
243.21191	6.0
247.20438	6.0
257.22552	5.8
283.23972	4.9
322.43829	4.7
330.26569	5.0
352.11462	6.8
405.35080	10.3
423.36279	87.6
441.37457	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	442.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24652	0.5
53.03950	1.9
55.01874	2.7
55.05520	3.1
57.03445	5.4
61.02925	7.9
69.03434	15.9
69.07066	0.6
70.49353	1.8
71.01370	0.5
71.05000	5.1
73.02937	3.5
81.03418	6.3
83.01334	0.7
83.04977	0.6
83.08609	4.5
85.02911	100.0
87.04471	2.0
91.03962	5.7
93.07049	1.2
95.08625	0.9
97.02899	22.7
97.06558	0.8
99.04477	3.9
99.08099	0.9
101.09657	1.4
103.03928	0.8
109.02879	8.8
109.03597	0.7
111.08115	1.6
115.03953	1.2
122.16679	0.6
123.08099	0.7
127.02983	1.1
127.03928	23.5
139.07568	2.3
141.09146	1.8
145.04973	47.0
151.07553	0.8
153.01845	0.7
153.09151	0.6
160.18506	0.7
163.06024	19.9
167.10736	0.6
169.08577	1.0
185.11679	0.7
191.10689	0.6
196.69016	0.6
209.11853	1.4
227.12820	1.7
245.13832	1.2
262.15622	0.7
263.15009	1.6
281.72363	0.7
300.56009	0.7
332.38086	0.6
340.61441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
52.38278	0.5
55.05511	2.9
57.07072	1.6
59.05008	0.5
67.05508	4.2
69.03426	1.1
69.07072	6.3
69.51464	3.9
72.29043	0.6
79.05492	3.4
81.07064	9.6
83.04979	3.2
83.08644	2.7
85.96972	0.5
91.05505	1.9
93.07050	6.8
95.04975	1.5
95.08616	19.2
97.06557	1.1
97.10204	0.8
98.20792	1.2
99.08081	0.6
105.07050	6.2
107.08607	12.5
109.06527	1.5
109.10173	10.7
111.08086	1.1
111.11735	1.1
111.18948	0.6
119.08597	8.6
121.06529	1.7
121.10159	10.2
123.08085	2.4
123.11708	5.3
125.09660	1.3
125.91686	0.5
131.08565	1.5
133.10162	5.4
135.08057	3.7
135.11710	10.4
137.09637	1.7
137.13293	4.0
139.11176	0.7
143.08600	1.1
145.10164	2.6
147.11731	3.7
149.09639	15.3
149.10779	1.2
149.13239	3.6
151.11183	0.5
157.10194	1.7
159.11723	2.8
161.09642	1.7
161.13252	3.5
163.11247	1.7
163.14841	1.7
169.09975	0.5
171.11710	1.2
173.13295	2.7
175.11235	0.9
175.14825	3.0
177.12807	0.8
177.16399	3.7
179.14362	0.7
185.13286	1.1
187.14822	1.7
189.16397	4.5
191.14360	0.6
191.17953	4.7
198.26349	0.6
199.14845	1.1
201.16289	0.8
203.14415	0.8
203.18002	1.0
205.15996	0.6
205.19591	1.6
207.17473	1.0
213.16350	0.9
215.17941	3.7
217.16031	0.9
219.17505	0.7
231.17445	1.1
233.18993	3.3
235.17014	2.4
241.19798	0.6
243.21129	0.9
245.18991	0.7
269.22766	1.4
285.22318	0.7
287.23737	7.3
423.36780	2.7
441.37408	100.0
442.37570	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
52.30786	4.0
53.40557	3.9
54.99896	3.8
55.05506	12.7
57.07064	4.7
67.05513	20.4
69.07068	22.1
70.63158	8.4
70.63493	6.3
73.06541	4.4
74.83320	4.1
79.05493	16.8
81.07063	60.0
83.08611	7.8
85.06519	11.0
91.05489	13.3
93.07050	50.9
95.08615	100.0
97.10188	3.8
102.31866	3.7
105.07044	46.7
107.08606	71.1
109.10155	58.6
113.09637	5.0
117.07040	9.6
119.08595	57.5
121.10149	62.7
123.11716	27.9
125.09599	6.6
131.08594	11.3
133.10123	44.2
135.11694	49.2
137.09709	4.4
137.13234	9.8
143.08650	4.0
145.10168	30.4
147.11690	37.8
149.13261	33.6
151.11232	4.8
157.10173	5.4
159.11699	30.7
161.13283	40.4
163.14856	36.5
171.11682	5.6
172.93170	4.0
173.13284	18.0
175.14853	39.2
177.16408	17.3
179.14345	4.7
185.13136	4.7
185.97359	3.9
187.14809	28.3
187.70804	4.3
189.16393	37.8
191.14354	8.3
191.17969	80.1
193.15909	11.0
199.14896	7.2
200.88876	4.4
201.16347	26.4
203.17960	27.5
205.15878	9.6
205.19525	16.1
207.17477	9.8
213.16278	5.4
215.17973	38.9
217.19545	14.4
219.17482	13.1
227.18027	4.2
229.19580	8.7
231.17564	6.6
231.21092	7.3
233.19029	29.3
239.62369	3.7
241.19621	4.1
243.21136	6.7
395.36728	10.9
405.35513	8.7
423.36282	95.3
424.36655	5.3
441.37457	85.8
442.38022	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	441.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.05527	12.8
55.05737	2.5
57.07088	4.1
65.03908	2.5
67.05504	27.4
69.07074	20.8
70.16985	11.0
71.04999	2.7
77.03891	2.5
79.05486	17.1
80.91521	2.8
81.07063	52.4
83.08607	9.5
85.06542	6.1
91.05457	22.1
91.56694	2.5
93.07053	46.1
95.04971	3.5
95.08610	100.0
97.06556	3.2
97.10165	5.4
98.21436	3.5
99.08093	11.5
105.07040	51.9
107.08601	75.3
109.10163	62.4
111.08104	8.8
113.09670	4.2
117.07019	5.1
119.08587	59.2
121.10154	64.2
123.08085	5.4
123.11707	29.0
125.09612	3.2
127.07517	3.6
129.06966	5.0
131.08591	17.0
133.10143	43.3
135.11699	39.7
137.09616	3.7
137.13281	16.2
139.11156	3.1
142.07773	3.0
143.08548	15.1
144.09282	2.7
145.10132	34.5
147.11691	41.7
149.09572	4.4
149.13274	30.6
151.11200	5.3
152.75613	2.5
155.08563	5.3
157.10121	17.1
159.11696	30.5
161.09668	2.6
161.13292	31.5
163.11230	4.6
163.14844	19.3
165.12756	3.7
169.10132	3.4
170.10809	3.3
171.11726	12.5
173.13264	29.3
175.14861	28.8
177.12872	3.7
177.16348	15.3
183.11708	7.9
185.13249	21.3
187.14876	24.4
189.16364	21.7
191.17984	36.1
193.15895	3.2
197.13278	5.1
199.14822	13.2
201.16417	24.6
203.14246	21.0
203.17986	20.7
205.15869	16.9
205.19533	8.4
207.17537	5.6
211.14813	3.9
213.16412	7.0
215.14420	4.4
215.17969	22.2
217.15787	7.8
217.19485	8.8
219.17447	11.6
223.16850	6.6
225.16299	4.8
227.17924	5.9
229.19600	5.3
231.17360	5.5
231.21007	3.5
233.18970	16.7
243.17488	3.9
245.18968	5.2
247.20535	3.5
253.19537	4.5
257.22900	3.6
261.22089	3.3
267.21176	3.8
271.20511	3.6
283.20544	4.4
299.71133	2.5
301.21582	5.0
350.36151	2.7
351.26657	3.1
369.27756	5.8
395.36661	10.2
405.31412	11.1
423.31946	15.8
423.37106	44.9
441.32672	55.7
441.38132	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	441.373
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
51.15545	2.4
52.70542	2.6
53.03947	4.5
55.05516	13.4
57.07068	8.2
59.05003	3.8
60.85089	2.3
61.59605	2.3
62.94239	2.6
67.05510	31.5
68.47169	2.6
69.07075	23.7
69.07442	3.5
71.08630	3.2
76.31395	2.4
79.05500	17.6
81.07056	41.2
83.08617	10.5
85.10190	2.7
85.46921	2.7
87.04469	2.5
91.05484	17.1
93.07051	34.6
95.04945	3.2
95.08613	100.0
96.88442	2.3
97.10176	6.9
99.08083	3.1
100.99090	2.6
105.07022	20.7
107.08597	43.2
109.06527	5.1
109.10162	84.6
111.08072	18.5
111.11726	8.3
117.07039	2.9
119.08581	24.9
121.10152	49.3
123.08072	6.6
123.11712	35.5
125.09630	4.3
129.07028	2.9
131.08575	8.1
133.10112	18.0
135.08046	10.7
135.11679	24.3
137.13263	9.0
138.74649	2.8
141.74390	2.5
143.08647	2.8
145.10138	13.7
147.11696	13.2
149.09633	37.1
149.13257	27.1
151.11163	6.2
157.10120	7.7
159.11707	12.1
161.09674	4.8
161.13289	14.5
163.11185	6.0
163.14830	17.6
169.10156	2.9
171.11714	7.6
173.13310	9.7
175.14848	10.1
177.12784	4.7
177.16380	8.8
185.13255	5.7
187.14871	10.1
189.16435	8.2
191.17940	7.5
199.14766	6.9
201.12849	2.7
201.16420	7.7
203.14282	5.5
205.15930	20.7
205.19446	18.4
207.17441	5.2
213.16412	4.3
215.17920	4.1
217.15846	9.5
217.19508	4.0
219.17480	10.9
219.21106	13.8
235.16974	4.3
291.83511	2.8
423.36612	33.5
437.49661	2.9
441.37769	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12298	3.5
55.05509	13.7
57.07088	7.2
67.05505	15.5
69.07068	11.5
69.15721	30.2
69.16137	8.3
79.05510	21.6
81.07069	28.3
83.08627	10.2
85.06554	8.5
91.05489	28.3
93.07049	49.7
95.04959	5.1
95.08624	43.7
99.08106	26.9
105.07036	53.8
107.08605	100.0
109.10159	48.8
111.08070	3.6
117.07040	12.8
119.08591	62.5
121.10162	45.5
123.11714	13.4
123.17928	3.4
125.09632	4.6
128.06174	4.8
129.07004	8.8
131.08582	36.8
133.10152	50.2
135.11676	27.3
142.07755	5.1
143.08580	28.1
145.10135	53.1
147.07967	4.4
147.11696	65.8
149.13258	14.4
151.11177	9.1
153.12766	4.0
155.08553	9.1
156.09320	4.9
157.10164	34.5
159.11693	40.1
161.09604	5.3
161.13249	25.0
163.11108	4.4
163.14851	11.4
169.10117	9.8
170.10931	6.1
171.11711	26.3
173.13290	32.6
175.14847	16.3
177.12772	3.8
177.16411	10.2
182.10947	4.2
183.11789	23.8
184.12526	4.9
185.13283	25.9
187.14856	40.8
189.16426	11.1
191.14427	3.5
191.17883	4.2
197.13272	13.8
199.14854	33.8
201.16400	31.0
203.14302	10.7
205.15881	38.7
210.81105	4.0
211.14853	12.5
213.16399	14.0
215.14398	6.7
215.17883	10.0
217.15903	11.3
219.17491	4.1
223.15056	5.8
223.16983	21.0
225.16542	6.9
231.17436	4.5
239.17957	8.3
243.17366	4.0
253.19466	9.1
265.19528	5.5
271.20584	9.9
283.20691	19.2
301.21689	28.3
333.25916	3.9
351.26889	12.0
369.27902	36.5
405.31537	23.3
423.32388	38.7
441.33557	84.1
441.38980	6.1
456.23898	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3368
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
53.03936	3.0
55.01859	2.3
55.05519	18.3
57.07067	5.2
65.03944	1.7
65.37563	1.5
67.05512	22.5
69.03412	5.7
69.07076	18.6
69.51381	12.5
70.68166	1.7
71.04984	1.9
77.44861	1.7
79.05502	24.9
81.07066	41.4
83.04984	3.7
83.08646	12.5
85.06551	6.1
90.70155	1.9
91.05489	32.0
93.07052	62.9
95.04961	6.8
95.08616	57.1
97.06559	8.8
97.10191	4.7
99.08102	15.8
105.07041	78.4
107.08604	76.5
109.06514	5.2
109.10157	27.1
111.08084	5.7
113.09693	2.1
115.05460	2.8
117.07039	12.2
119.08596	100.0
121.06484	9.1
121.10159	45.4
123.08076	7.4
123.11728	9.8
125.09663	6.9
128.06192	4.8
129.07016	5.3
130.07823	3.1
131.08575	52.6
131.09550	3.4
133.06461	2.1
133.09134	2.9
133.10139	58.5
135.08064	7.5
135.11717	27.0
137.09604	5.7
139.11189	10.4
141.06920	3.1
141.09100	1.9
142.07796	5.3
143.08591	24.6
144.09361	4.0
145.10139	54.2
147.08076	6.6
147.10519	4.1
147.11700	80.1
149.09618	7.3
149.13286	12.8
151.11208	4.0
155.08554	8.6
155.14381	1.8
156.09352	5.7
157.10127	29.1
158.10866	6.1
159.08081	6.3
159.11708	44.1
161.09668	10.1
161.13284	23.0
162.10027	1.9
163.11206	7.9
163.14844	17.9
167.08498	1.9
169.10123	15.2
170.10939	4.9
171.11722	28.7
172.12122	1.8
173.09700	4.2
173.13284	49.6
175.11211	6.8
175.14859	23.8
177.12837	3.4
177.16388	5.1
179.14325	1.9
181.10146	2.8
182.10925	3.9
183.11707	18.9
184.12364	2.1
185.13298	22.6
186.13786	2.7
187.11241	6.8
187.14841	42.6
189.12804	7.3
189.16357	8.9
191.14372	15.0
195.11700	7.0
197.13274	14.9
199.14844	17.2
201.12794	12.2
201.16411	47.9
203.14369	15.1
203.17998	7.1
204.14688	1.8
205.15926	7.2
207.11780	3.6
207.13698	2.2
209.13266	7.7
211.14821	9.8
213.16415	15.3
215.14375	6.9
215.18054	9.6
215.19925	1.7
217.15945	6.3
219.17552	2.3
221.13359	3.2
221.15379	15.4
223.14873	5.8
225.16382	7.5
226.10182	1.8
227.14325	2.2
227.18021	5.9
229.15877	4.8
229.19537	3.6
231.17509	2.9
237.16403	4.7
239.18018	4.4
241.15749	2.4
241.19591	5.3
243.17500	15.2
243.21167	2.8
244.18002	2.1
247.14711	2.8
247.17073	3.1
249.16321	2.9
251.18102	4.9
253.19572	5.1
255.21115	6.5
257.19104	3.8
259.20670	2.3
261.18494	3.8
265.19519	3.2
267.20938	2.2
269.22726	3.0
273.22192	5.2
279.20932	4.2
281.22620	3.1
283.20590	2.0
287.23648	3.8
295.24387	2.0
296.61111	2.2
297.22311	2.7
299.20081	7.3
313.25388	2.5
335.23700	4.3
339.26895	4.1
349.25092	2.9
351.26837	4.9
365.28461	2.6
369.27979	2.2
375.30307	2.5
387.30261	2.2
393.31610	11.5
395.32977	3.1
397.18329	4.2
405.31516	17.2
411.32687	14.4
423.32559	47.3
441.17117	12.1
441.33694	88.5
442.33911	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09140	1.9
53.03941	2.9
55.05505	13.0
56.00220	2.2
57.07077	3.5
58.97791	2.0
59.04998	2.4
65.03909	2.0
67.05515	19.2
69.07067	12.3
77.03913	2.1
77.92329	2.4
79.05489	25.9
81.07056	34.2
83.04987	4.4
83.08608	7.9
85.06535	5.7
91.05476	33.7
93.07041	65.8
95.08611	37.2
97.06521	3.5
98.84152	2.4
99.08092	29.5
105.07036	60.4
107.08598	100.0
108.22046	2.1
109.06564	4.7
109.10164	50.7
111.08068	4.1
115.05494	2.7
116.09528	2.2
116.90788	2.5
117.07030	14.4
119.08589	83.5
121.10146	47.5
123.08070	4.4
123.11729	15.7
125.09658	6.0
128.06259	5.1
129.07007	12.3
130.07823	4.1
131.08566	48.5
133.10141	60.8
133.11124	5.3
135.08066	2.8
135.11700	28.0
137.09605	5.0
137.13258	2.9
141.06969	3.7
142.07777	10.2
143.08569	31.4
144.09409	4.5
145.10136	53.9
147.11690	82.8
149.09639	5.8
149.13240	10.7
151.11191	9.5
153.12715	4.8
155.08578	9.3
156.09370	9.1
157.10149	41.8
158.10902	7.3
159.11691	56.3
161.09625	3.2
161.13263	29.4
163.11221	7.2
163.14792	11.6
165.12761	4.3
169.10118	14.9
170.10916	9.5
171.11708	36.1
172.12459	3.1
173.13260	38.7
175.14827	15.6
177.12804	6.4
177.16405	8.5
178.67131	2.2
179.14354	3.4
181.10146	4.6
182.10873	2.7
183.11703	24.7
183.19553	2.8
185.13254	30.0
187.14828	40.1
189.16440	9.2
191.14325	6.9
193.10188	2.8
194.10928	2.9
195.11784	5.2
195.13782	3.8
196.12447	2.6
197.13297	16.5
198.13870	2.7
199.14827	57.3
201.12810	2.8
201.16377	33.1
203.14316	6.5
205.15891	40.6
207.11658	2.9
209.13272	6.8
211.14919	14.8
213.16370	19.6
215.14320	5.5
215.17874	3.3
217.15923	11.0
221.64977	2.6
223.14938	4.1
223.16972	19.9
225.16376	7.1
227.18022	7.0
229.15828	3.7
231.17474	6.2
233.18884	3.9
235.14903	3.6
235.16983	3.6
237.16409	6.2
239.17964	5.8
241.19524	3.3
251.18053	5.0
253.19527	15.6
255.21132	3.1
257.19083	5.7
259.20602	4.8
262.12088	2.4
263.17941	2.7
265.19592	5.8
267.21127	3.6
269.19003	3.6
271.20621	14.7
279.21103	3.4
283.20599	33.4
295.82867	2.5
301.21634	35.9
309.22134	2.6
333.25885	8.0
351.26871	17.2
369.27914	32.4
387.30612	4.6
393.31223	2.4
405.31497	26.3
411.31839	3.0
423.32562	51.8
441.33670	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3368
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05523	10.4
57.07074	4.1
58.06049	4.2
63.90662	4.2
67.05501	14.3
69.07063	16.7
69.37227	19.5
69.37634	9.8
79.05508	21.3
81.07068	24.7
83.04976	5.1
83.08644	10.2
89.72877	3.8
91.05486	22.8
93.07052	49.2
95.08622	42.9
99.08101	33.0
102.42093	3.9
105.07045	46.3
107.08609	77.5
108.45982	4.5
109.10176	47.7
111.08096	8.3
117.07023	13.8
119.08590	73.4
121.10146	46.4
123.11718	11.1
125.09572	3.8
128.06128	4.8
129.06993	6.9
129.57622	4.0
131.08582	34.9
132.45215	4.2
133.10146	44.8
135.08020	9.1
135.11728	19.9
137.09656	5.5
140.57005	3.6
143.08589	20.0
145.10135	52.4
147.11700	64.7
149.13269	13.0
155.08542	12.8
156.09390	5.3
157.10156	25.9
159.11702	41.6
161.13254	22.7
163.11238	4.6
163.14871	9.0
169.10172	11.4
171.11719	22.4
172.12596	5.4
173.13271	30.0
175.14886	13.5
177.12692	5.3
177.16418	7.2
179.14265	5.9
181.10233	5.0
183.11736	13.4
185.13243	17.9
187.14851	31.9
189.16405	6.0
195.11679	7.5
195.13736	4.6
197.13277	10.0
199.14850	35.4
201.16351	26.4
203.14310	8.8
205.15912	29.9
209.13417	6.9
211.14946	8.8
213.16431	12.1
215.14441	6.1
217.15840	11.5
223.16965	18.9
225.16479	7.3
227.18021	6.0
231.17459	6.4
235.16922	9.4
237.16478	5.1
239.17996	7.4
253.19600	9.7
254.54251	4.5
255.17563	4.4
257.19016	7.9
265.19443	4.8
271.20578	11.3
283.20645	24.9
301.21753	23.1
325.25034	7.2
333.26077	5.9
351.26776	8.9
354.77484	4.3
369.27908	18.1
405.31592	23.4
423.32700	67.6
441.33646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18550	3.9
53.03948	4.2
53.39975	3.4
55.05506	11.9
57.07071	4.2
67.05505	18.1
69.07082	17.8
69.29542	31.8
71.36732	3.6
77.36510	3.9
79.05495	25.9
81.07072	34.8
83.08617	10.5
85.06544	7.6
91.05482	34.4
93.07043	52.0
95.04987	4.7
95.08058	6.1
95.08614	52.7
95.28819	3.6
99.08125	27.8
105.07036	57.4
107.08600	90.6
109.06493	5.0
109.10172	55.7
111.08080	7.6
117.07000	10.7
119.08594	100.0
121.10167	40.5
123.11682	16.7
128.06262	6.4
129.07022	13.0
130.07780	4.7
131.08600	44.5
133.10130	60.7
135.08087	4.2
135.11694	24.2
137.13251	6.7
141.07001	4.7
142.07773	10.8
143.08571	30.7
144.09358	6.3
145.10150	51.6
147.11699	83.9
149.09641	5.1
149.13214	9.9
151.11159	13.0
155.08569	7.1
157.10143	34.8
158.10883	4.4
159.11707	55.2
161.09654	3.9
161.13283	33.6
163.11201	6.3
163.14839	7.3
167.08525	4.7
169.10170	11.6
170.10970	4.5
171.11688	30.2
172.12503	4.2
173.13298	40.0
175.14807	15.4
176.46317	3.9
177.12781	9.1
177.16371	10.4
181.10069	3.9
183.11696	24.3
184.12387	5.0
185.13269	34.5
187.14864	35.8
189.16376	10.8
191.14355	7.5
196.12537	5.1
197.13297	17.3
199.14839	44.1
201.16402	28.8
203.14322	17.1
203.17874	5.5
205.15897	41.4
209.13197	4.3
211.14801	12.1
213.16429	18.7
215.14304	7.3
215.18010	10.4
217.15807	9.2
219.17459	5.6
223.14914	6.4
223.16936	23.0
225.16350	5.6
227.17914	7.8
229.15848	6.5
231.17430	5.8
233.19058	4.1
239.18002	6.8
241.19609	4.1
243.17365	4.2
251.17976	6.1
253.19518	15.0
265.19510	5.9
267.21103	4.2
271.20715	8.9
273.22302	4.0
277.19354	4.1
283.20679	25.0
285.22247	4.4
301.21552	31.7
333.25681	6.5
351.26779	14.9
369.27924	42.9
379.30609	4.1
405.31509	28.0
423.32642	46.6
441.33710	87.9
442.33582	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	441.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.0
55.05505	12.2
57.07073	3.7
67.05499	18.4
69.07072	12.5
69.32085	3.5
69.32703	20.5
72.76363	3.4
79.05502	26.0
81.07062	34.1
83.04962	3.4
83.08602	9.5
91.05472	30.6
93.07055	57.5
95.08612	41.3
97.06511	4.5
99.08105	34.4
103.05492	3.5
105.07039	57.7
107.08601	94.7
109.06504	3.8
109.09476	5.5
109.10167	62.3
111.08072	4.0
117.07035	14.0
119.08585	80.4
121.10141	48.5
123.08042	3.8
123.11716	12.4
125.09637	4.1
128.06297	4.0
129.07019	6.5
131.08578	45.7
133.10135	62.3
135.11676	28.6
137.13321	5.3
139.96500	3.0
142.07820	9.9
143.08575	31.4
144.09428	3.5
145.10129	57.4
145.11179	5.2
147.08043	3.8
147.11693	88.3
147.12831	5.8
149.09587	5.2
149.13246	9.9
151.11192	7.7
153.12743	5.6
155.08571	12.9
156.09344	9.8
157.10144	36.7
157.38219	3.6
158.10901	6.7
159.11694	47.4
161.13289	30.1
163.11256	6.6
163.14859	10.4
165.12767	5.0
169.10126	15.4
170.10976	7.3
171.11707	36.7
172.12498	6.6
173.13301	45.2
175.11246	4.6
175.14806	14.6
177.12793	7.4
177.16408	12.0
181.10158	4.2
182.10913	3.7
183.11725	23.8
184.12480	4.8
185.13283	29.5
187.14825	42.6
189.16414	6.3
191.14346	8.0
193.15997	2.9
195.11784	6.9
195.13599	4.2
197.13290	21.0
199.14856	54.1
201.12737	3.3
201.16394	33.0
203.14360	11.7
203.18089	5.3
205.15903	45.4
209.13292	7.8
211.14845	10.8
213.16414	18.5
215.14290	6.6
215.18028	7.6
217.15933	13.3
217.73975	3.2
219.17528	3.1
223.14948	6.4
223.16928	31.0
225.16429	8.3
227.17964	6.6
229.15930	5.8
231.17435	3.7
235.16940	7.7
239.18007	5.2
241.19617	5.7
251.17949	5.1
253.19489	17.8
257.19049	5.9
259.20682	3.9
265.19492	6.3
267.21152	6.1
267.58017	3.4
271.20587	11.2
273.22183	4.1
275.20242	3.3
283.20593	33.6
301.21619	38.2
333.25717	7.4
351.26810	24.9
369.27884	43.8
387.30554	4.7
405.31631	35.3
423.32596	61.4
441.33716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.05510	14.3
67.05516	18.5
69.07068	11.0
69.51516	24.0
79.05495	23.7
81.07071	36.6
83.08630	10.2
85.93246	3.6
91.05493	34.5
93.07048	50.6
95.05009	6.0
95.08614	41.1
97.06490	5.0
98.21532	6.5
99.08089	25.7
105.07049	55.0
107.08601	88.6
109.10155	49.9
111.08079	8.1
115.05494	4.6
117.07036	10.2
119.08591	69.4
121.10146	38.7
123.08063	6.7
123.11711	15.8
125.09721	5.3
129.07054	8.7
131.08571	51.7
133.10153	53.1
135.08066	7.7
135.11682	23.4
142.07779	9.0
143.08578	32.4
144.09373	5.2
145.10130	45.3
147.08081	3.7
147.11697	73.5
149.09634	4.7
149.13278	15.1
151.11188	9.2
153.12788	6.4
155.08533	7.9
156.09312	6.8
157.10146	38.1
158.10905	4.6
159.11694	47.1
161.09639	4.1
161.13272	28.1
163.11208	7.6
163.14868	6.1
169.10172	16.4
170.10985	7.4
171.11685	31.8
173.13298	38.0
175.14833	18.0
177.12846	8.3
177.16521	8.4
179.14407	10.7
183.11707	26.7
185.13252	23.2
187.14850	41.9
189.12674	4.7
189.16344	5.6
191.14322	7.8
195.11732	7.3
197.13310	23.7
199.14835	46.8
201.12733	8.1
201.16408	37.5
203.14290	5.2
203.18193	3.5
205.15901	36.7
209.13219	8.7
211.14848	15.0
213.16333	18.3
213.27957	3.8
215.14293	7.4
215.18004	9.7
217.15961	10.6
223.14949	6.8
223.16884	31.5
225.16374	9.8
227.17986	5.9
231.17409	4.9
237.16499	6.4
239.18103	4.6
243.17638	3.8
251.18076	6.0
253.19629	12.1
259.20660	6.0
265.19479	7.8
271.20612	11.5
283.20618	25.2
285.22025	6.7
301.21686	32.5
325.25070	5.3
333.25888	8.2
335.24048	4.5
351.26874	21.1
369.27832	32.5
395.76007	4.0
405.31607	32.5
423.32632	55.9
441.27863	7.0
441.33762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12298	3.5
55.05509	13.7
57.07088	7.2
67.05505	15.5
69.07068	11.5
69.15721	30.2
69.16137	8.3
79.05510	21.6
81.07069	28.3
83.08627	10.2
85.06554	8.5
91.05489	28.3
93.07049	49.7
95.04959	5.1
95.08624	43.7
99.08106	26.9
105.07036	53.8
107.08605	100.0
109.10159	48.8
111.08070	3.6
117.07040	12.8
119.08591	62.5
121.10162	45.5
123.11714	13.4
123.17928	3.4
125.09632	4.6
128.06174	4.8
129.07004	8.8
131.08582	36.8
133.10152	50.2
135.11676	27.3
142.07755	5.1
143.08580	28.1
145.10135	53.1
147.07967	4.4
147.11696	65.8
149.13258	14.4
151.11177	9.1
153.12766	4.0
155.08553	9.1
156.09320	4.9
157.10164	34.5
159.11693	40.1
161.09604	5.3
161.13249	25.0
163.11108	4.4
163.14851	11.4
169.10117	9.8
170.10931	6.1
171.11711	26.3
173.13290	32.6
175.14847	16.3
177.12772	3.8
177.16411	10.2
182.10947	4.2
183.11789	23.8
184.12526	4.9
185.13283	25.9
187.14856	40.8
189.16426	11.1
191.14427	3.5
191.17883	4.2
197.13272	13.8
199.14854	33.8
201.16400	31.0
203.14302	10.7
205.15881	38.7
210.81105	4.0
211.14853	12.5
213.16399	14.0
215.14398	6.7
215.17883	10.0
217.15903	11.3
219.17491	4.1
223.15056	5.8
223.16983	21.0
225.16542	6.9
231.17436	4.5
239.17957	8.3
243.17366	4.0
253.19466	9.1
265.19528	5.5
271.20584	9.9
283.20691	19.2
301.21689	28.3
333.25916	3.9
351.26889	12.0
369.27902	36.5
405.31537	23.3
423.32388	38.7
441.33557	84.1
441.38980	6.1
456.23898	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3367
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
51.02398	3.3
55.05517	23.1
56.65152	2.7
59.04984	3.2
62.39998	2.5
67.05505	24.2
69.03432	6.5
69.07084	16.3
70.48656	9.6
70.79729	2.7
79.05498	22.0
81.07057	38.0
83.05000	6.3
83.08621	16.1
85.06535	3.4
90.82773	2.5
91.05473	24.3
93.07051	43.8
95.08614	61.3
97.06527	8.6
97.10188	4.1
99.08103	14.3
105.07047	46.6
107.08603	61.1
109.06526	6.4
109.10162	25.5
111.08080	4.6
113.09653	4.8
117.07034	8.4
119.07821	4.7
119.08595	54.8
121.06526	3.1
121.10154	37.4
123.08070	8.1
123.11709	10.3
123.67257	3.4
125.09642	9.0
129.07010	8.1
131.08557	24.4
133.10132	33.9
135.08076	5.5
135.11705	23.9
137.09630	6.9
139.11191	21.5
142.07814	8.2
143.08563	22.8
145.10120	42.3
147.08102	3.4
147.11702	29.7
149.09579	5.1
149.13206	7.3
155.08575	10.8
156.09348	6.8
157.10133	35.6
159.08083	4.0
159.11722	38.3
161.09625	4.8
161.13281	17.1
163.11188	4.2
163.14877	16.8
165.12808	5.5
167.08606	4.8
169.10123	21.5
171.11742	32.0
172.12460	3.5
173.13278	24.4
175.11209	5.3
175.14830	10.3
177.12836	4.6
177.16409	4.8
181.10176	8.9
182.10936	3.9
183.11740	22.3
185.13260	17.6
187.11142	4.3
187.14798	23.7
189.12730	8.7
189.16457	6.9
191.14258	3.5
195.11732	6.9
197.13300	16.7
199.14864	17.6
201.12755	4.6
201.16377	10.9
203.14302	8.2
203.18015	6.8
205.15913	10.9
207.11771	5.7
207.17392	3.9
209.13187	8.9
211.14865	10.7
213.16362	11.9
215.14403	4.1
223.14799	7.2
225.16307	5.4
227.17976	6.4
229.15973	6.3
229.19421	3.9
231.17590	4.4
235.14874	5.0
237.16292	5.7
239.18001	10.5
241.19514	8.4
243.17523	5.7
247.20511	3.7
251.18024	3.3
253.19536	9.1
257.18875	3.3
259.20740	3.2
267.21103	3.7
269.19104	3.8
271.20703	6.5
297.22131	5.5
297.26651	2.9
305.22571	3.9
307.23856	3.8
309.37930	3.3
313.24930	3.9
317.22845	3.3
335.23715	10.7
339.26910	6.5
340.23892	4.6
351.26624	3.5
353.24738	3.1
387.30460	6.9
390.29700	3.3
393.31317	4.3
405.31488	31.3
423.32614	71.9
441.33624	100.0
442.33575	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	441.3367
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
52.86681	3.1
55.05505	9.7
57.07074	4.2
67.05501	13.2
69.07098	7.9
69.89349	11.9
69.89756	8.3
79.05479	18.6
81.07061	24.4
83.08620	7.9
85.06567	3.5
86.40061	2.8
87.43706	2.8
89.00150	2.8
91.05477	28.1
93.07046	45.8
93.54339	2.9
95.08614	41.9
97.06555	3.8
97.83643	3.2
99.08094	31.1
105.07037	44.5
107.08601	84.0
109.06516	6.4
109.10170	43.7
111.08103	9.8
117.07005	9.7
117.15482	3.2
119.08584	72.8
121.10160	39.2
123.11695	9.9
127.07586	4.0
128.06274	4.5
129.07036	11.2
131.08582	36.5
133.10152	50.1
135.08107	3.8
135.11711	20.7
137.13231	5.5
137.86539	3.5
142.07840	7.7
143.08568	28.8
145.10121	49.6
147.11694	64.0
149.09618	4.5
149.13264	13.6
151.11194	6.6
153.12729	3.7
155.08525	7.5
156.09386	7.7
157.10149	32.3
159.11697	41.4
161.13275	22.8
163.11194	5.4
163.14896	9.1
164.56195	3.2
169.10106	8.9
170.10973	8.3
171.11691	28.1
172.12386	3.4
173.13251	31.4
175.14830	13.5
177.12839	4.5
177.16418	12.6
179.14241	4.3
183.11732	19.5
184.12427	6.0
185.13278	22.6
187.14835	34.5
187.55394	3.9
189.12857	4.6
189.16444	11.6
191.14240	9.1
197.13254	13.4
199.14824	39.1
201.16405	33.9
203.14348	23.8
203.17949	4.1
205.15935	38.8
211.14893	8.9
213.16409	20.4
215.14304	9.3
215.17979	9.5
217.15881	9.4
219.17499	4.6
223.14906	6.7
223.16991	18.9
225.16475	9.2
227.17958	6.7
231.17427	7.8
239.17921	8.2
253.19574	11.8
257.18808	5.5
259.20651	4.6
269.18958	4.1
271.20648	8.2
283.20602	25.1
288.32556	3.7
301.21732	19.4
333.25763	9.9
341.19681	4.7
351.26810	13.7
365.28363	3.4
369.27933	31.6
387.30292	3.6
405.31555	27.9
423.32693	54.8
428.09836	3.6
441.33722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.9
57.07077	4.3
65.24547	2.9
67.05508	24.2
69.03441	3.7
69.07069	17.9
79.05484	28.4
80.38084	2.8
81.07065	33.7
83.08653	8.2
84.08143	55.1
85.06526	3.9
91.02427	3.4
91.05482	32.8
93.06483	5.0
93.07047	62.6
95.04975	4.9
95.08614	48.5
97.06539	3.1
97.10191	3.4
98.21576	4.9
99.08098	30.6
105.07042	51.5
107.08595	80.6
109.06532	6.4
109.09475	5.3
109.10155	53.3
111.08096	7.6
113.09605	3.7
117.07044	14.8
119.08591	82.0
121.06502	4.4
121.10156	49.7
123.08121	5.5
123.11713	16.4
125.09660	5.7
127.07596	4.6
128.06232	4.9
129.07007	10.2
130.08652	6.7
131.08569	42.7
133.10141	56.1
135.08070	6.4
135.11702	26.5
136.44922	3.3
137.09628	7.1
137.13260	3.4
139.11256	6.0
139.96693	3.2
142.07800	9.2
143.08548	24.1
145.10126	47.5
147.08075	7.4
147.11693	72.9
149.09616	7.5
149.13266	10.1
151.11119	5.9
153.12697	3.7
155.08559	7.3
156.09340	7.4
157.10146	35.5
158.10852	3.6
159.11687	40.3
161.09639	4.8
161.13277	24.6
163.11200	6.6
163.14806	10.1
163.61467	3.6
165.12744	6.0
167.08539	3.7
168.09340	5.9
169.10101	12.9
170.10875	6.5
171.11694	28.4
173.09546	6.1
173.13260	33.9
175.14844	19.7
177.12704	4.4
177.16386	12.8
179.14342	4.9
181.10201	5.7
182.10910	4.3
183.11732	18.2
185.13274	23.6
187.14816	43.1
189.16418	9.9
191.14314	6.7
195.11742	7.4
195.13773	4.3
197.13257	13.1
199.14816	29.7
201.12828	5.1
201.16428	29.8
203.14299	9.0
203.17990	5.0
205.15904	33.3
207.11649	6.1
209.13336	7.2
211.14812	13.4
213.16406	17.2
215.14323	7.4
215.17998	6.4
217.15804	5.1
219.17424	4.8
223.14937	6.1
223.16945	23.8
225.16435	8.7
227.17952	9.6
229.15959	4.3
231.17473	6.6
233.19028	4.7
235.16872	5.5
239.17862	4.9
243.17520	3.8
245.19046	6.4
251.17767	4.2
253.19539	16.3
265.19629	7.7
271.20596	10.1
283.20575	23.1
285.22064	3.9
301.21579	21.3
333.25717	4.7
351.26816	11.7
353.24786	4.4
369.27942	25.2
405.31693	26.2
423.32684	45.0
441.34018	100.0
450.28943	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	441.1734
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
53.03937	0.6
68.64758	0.6
69.03433	0.7
69.07057	0.5
70.06595	3.4
71.04969	0.6
71.49186	0.8
79.01851	0.5
81.03421	0.6
84.61115	0.5
85.02937	0.8
86.09708	5.5
88.04018	0.5
91.05501	0.7
95.01101	1.7
96.01875	0.9
97.02917	0.7
97.06538	0.5
109.02905	0.6
112.01375	0.9
112.61058	0.5
113.02140	2.2
116.07087	0.7
123.04427	1.0
124.27414	0.5
125.02390	0.7
127.03925	7.7
128.02219	0.6
135.04457	0.7
136.07538	0.6
137.02257	0.5
137.05971	0.7
139.03835	0.6
143.03389	0.7
147.04433	1.6
153.01842	15.7
153.02962	1.6
163.03943	1.5
167.03220	0.6
171.02872	0.6
177.05482	0.6
179.01947	0.6
179.03325	2.6
185.04233	2.5
185.09389	0.6
193.05031	0.5
196.06032	0.7
204.07646	2.2
205.08702	0.5
213.08760	1.2
213.61703	0.5
233.16605	0.5
259.07913	1.0
271.06079	2.2
281.46716	0.6
287.05542	0.6
326.17258	0.8
330.32693	0.5
331.04483	0.8
340.63913	0.5
361.04922	0.6
441.17368	100.0
442.17789	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
64.05108	0.5
67.05491	2.2
69.03440	0.5
69.07058	1.0
69.62856	2.8
70.60389	0.4
71.59259	0.4
73.06548	0.5
78.84769	0.4
79.05493	1.9
79.77669	0.4
81.03426	0.5
81.07063	3.5
83.08628	0.8
85.06487	0.6
85.23309	0.4
88.51537	0.4
91.05492	3.0
93.07047	3.7
95.04961	0.4
95.08606	5.4
97.06528	0.8
98.21503	0.8
105.07053	5.7
107.08620	6.0
109.06503	0.6
109.10166	2.7
117.07018	0.8
119.08592	6.3
121.06499	1.2
121.10146	4.2
123.08099	0.7
123.11734	0.6
129.06996	0.5
131.08578	4.3
133.10139	4.6
135.11702	2.3
143.08568	1.4
145.10121	4.2
147.04361	0.5
147.08092	0.5
147.11716	4.1
149.09581	0.7
149.13263	1.5
151.03938	0.4
152.29745	0.5
157.10139	1.9
158.10861	0.7
159.11699	3.4
161.09592	0.8
161.13292	1.9
163.11241	0.5
163.14830	2.0
169.10103	0.7
171.11693	1.6
173.13316	4.4
175.11354	0.6
175.14812	2.0
177.12668	0.7
177.16342	0.5
183.11742	0.9
185.13327	1.6
187.14845	4.0
189.12735	0.6
189.16426	1.5
191.14355	1.6
195.11693	0.5
197.13319	0.6
199.14844	1.3
201.12807	0.5
201.16408	3.0
203.05267	5.0
203.14305	1.2
203.17950	2.5
205.15935	1.3
211.14861	0.5
213.16458	1.1
215.14314	0.5
215.18034	1.0
217.15990	0.6
219.13936	1.0
219.17419	2.1
221.15382	1.4
223.14856	0.5
231.17596	0.6
243.17502	0.7
255.21175	0.6
261.18323	1.9
279.00729	0.5
333.25571	0.4
387.92435	0.4
393.31503	0.7
405.31604	1.2
411.32590	1.4
423.32608	2.9
441.24643	100.0
441.33481	7.4
442.24985	2.9
452.29984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35251	1.0
64.48274	0.9
67.93199	0.9
68.94230	0.8
70.29717	1.1
70.42686	2.1
70.43044	2.1
79.05480	1.8
81.03397	0.9
81.67973	1.0
85.06541	0.9
91.05476	2.0
93.07040	2.5
103.96347	1.0
105.07032	1.5
107.04950	2.7
107.08593	2.3
111.06702	1.0
119.08569	1.2
135.11685	1.3
163.07628	1.7
163.86336	1.1
167.07021	1.1
193.12024	3.9
200.57564	1.1
200.74666	0.9
203.05254	1.6
227.05290	1.9
243.04849	6.1
245.06300	5.2
271.04242	2.1
287.03738	41.8
289.05389	41.2
352.50684	1.1
355.17273	1.5
397.18365	18.6
423.16367	2.6
441.17358	100.0
442.17868	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16906	1.0
56.69600	0.9
56.96564	12.5
70.06576	3.6
70.28561	1.4
70.28909	3.3
71.95248	1.4
79.17274	1.0
84.96035	8.4
85.02898	3.0
85.82080	1.0
86.09695	1.6
91.05479	1.9
97.02908	1.3
98.97588	100.0
101.00848	1.0
110.97572	36.9
112.99132	2.2
116.07086	3.1
116.98627	16.6
119.01904	1.2
119.86278	1.3
120.16958	1.0
124.99147	5.1
127.03913	1.4
128.98615	17.7
131.00189	1.8
134.99681	2.8
136.07558	4.1
136.99104	1.9
140.98605	11.8
143.00179	15.6
146.99643	2.5
152.98592	7.0
153.01886	1.7
155.00249	1.2
158.99667	40.4
161.01247	5.5
163.03886	2.7
170.99663	26.1
171.01097	2.1
173.01198	2.2
174.99075	1.3
177.00740	17.8
182.99675	25.3
185.01102	1.4
189.00740	16.5
194.99654	2.5
201.00711	49.9
203.03900	1.2
206.99927	1.5
207.01839	2.9
213.00734	3.2
214.03226	1.3
219.01779	32.1
229.01625	1.1
231.01801	2.3
237.02850	15.1
243.01796	23.0
251.03941	1.1
255.03877	2.4
261.02838	85.9
262.03400	1.5
270.58282	1.2
273.02838	7.6
279.03891	42.4
279.13364	3.2
291.03845	14.5
297.04929	1.7
309.05008	1.8
321.04962	31.7
326.98178	1.1
333.04855	4.3
351.05893	6.5
381.07010	2.9
399.08105	2.7
441.09177	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	440.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74131	1.6
55.01864	1.9
57.03432	5.2
64.38196	1.8
68.97476	1.6
69.03436	25.4
69.07073	22.0
71.04980	2.0
71.49216	2.4
73.02905	2.4
75.41800	1.5
79.05483	3.0
79.67050	1.7
81.03416	2.4
81.07042	4.0
81.72066	2.2
83.04996	1.9
85.02915	24.8
87.04466	14.9
91.05489	2.6
93.07056	3.0
95.08585	2.9
97.02898	21.3
97.06586	2.7
105.07041	3.1
107.08621	3.9
109.02914	1.8
111.08073	7.6
111.11732	8.9
115.03936	19.0
119.08571	3.2
121.02853	4.7
122.03294	2.2
127.03928	2.8
127.11195	3.4
129.12778	10.2
133.04982	22.9
133.10187	2.9
137.02390	2.4
141.12720	4.7
145.04982	4.8
147.04343	2.0
148.04778	2.0
150.07683	4.4
153.01871	18.5
153.02992	3.0
154.02173	9.2
157.06563	2.1
164.09613	2.0
165.01772	4.1
184.07237	2.0
189.12805	1.8
211.09625	3.7
220.57983	1.7
255.15936	3.1
263.19904	2.8
286.38986	1.7
287.05505	45.9
287.08511	3.1
288.05856	100.0
289.06207	1.9
317.11545	1.9
355.17203	4.0
397.18399	11.1
440.06973	34.9
440.23315	5.5
441.17334	41.8
441.24515	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.4
55.88917	2.3
57.07068	3.7
67.05492	10.6
69.07066	13.8
69.28764	15.0
79.05494	8.5
81.07062	24.0
83.08627	10.1
83.96832	2.2
91.05490	8.1
93.07047	23.1
95.08611	54.2
97.10181	5.5
98.21553	4.0
105.07028	23.7
106.77987	2.0
107.08597	44.7
109.10162	33.0
119.07812	4.6
119.08591	54.8
121.10147	33.3
123.11700	10.2
131.08566	3.6
133.10130	38.6
135.11705	29.4
135.78265	2.1
137.13200	4.5
145.10156	7.4
147.11700	32.5
149.13301	15.7
153.09114	8.1
155.57361	2.5
159.11714	5.7
161.13277	15.2
163.14813	13.9
167.10710	3.6
173.13245	5.3
175.14818	14.7
177.16438	12.9
187.14835	4.0
189.16383	40.2
191.17950	100.0
193.44722	2.3
201.16403	8.5
203.17963	86.9
205.19514	25.4
207.17502	4.1
215.17885	4.0
217.19519	12.3
221.19086	5.6
228.76126	2.9
231.20984	5.2
235.16953	4.2
247.17020	3.7
249.18463	23.0
261.18503	4.1
263.68933	2.3
269.22559	3.2
393.35074	8.9
439.35922	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.5
55.05509	21.0
56.44236	1.8
57.03450	2.2
57.07067	7.9
63.92830	2.1
67.05502	32.4
69.07081	26.2
69.35724	17.3
71.04989	3.0
71.72899	1.9
72.80614	1.9
75.89772	2.1
79.05496	33.9
81.06598	4.3
81.07062	68.3
83.04977	6.4
83.08606	10.1
85.06522	3.2
91.05490	31.6
93.07047	59.4
95.04964	4.2
95.08612	100.0
97.06517	5.3
97.10169	5.0
99.08081	7.5
101.06065	2.7
105.07031	71.9
107.07882	4.8
107.08595	83.2
107.39764	2.0
108.06799	2.0
109.06506	6.5
109.10163	61.3
111.08081	5.7
111.11723	2.4
112.21333	2.0
115.05357	2.7
117.07035	13.2
119.08591	82.6
121.06535	4.9
121.10150	66.2
123.08070	6.2
123.11719	21.3
125.09633	2.9
128.06226	4.4
129.07025	6.1
131.08557	33.6
133.10156	59.6
133.11160	2.0
135.08076	4.5
135.11699	52.7
137.09601	2.9
137.13277	12.2
142.07788	4.5
143.08600	18.7
144.09373	3.3
145.10132	51.8
147.08034	5.2
147.11711	42.9
147.61249	2.1
149.09615	7.7
149.13237	25.4
151.11156	3.1
155.08539	3.8
156.09326	7.0
157.10155	33.6
157.19637	2.2
158.10889	3.2
159.08093	3.0
159.11693	38.6
159.95099	2.2
160.12604	2.2
161.09668	4.2
161.13245	34.7
163.11212	4.0
163.14833	26.3
165.12843	2.4
169.10138	6.6
170.10930	4.1
171.11694	24.2
173.09735	2.3
173.13263	36.1
175.11217	4.9
175.14845	33.2
177.12839	4.0
177.16382	11.0
179.14330	2.9
181.10191	3.3
183.11731	8.6
185.13313	21.9
187.14830	39.0
189.12740	4.3
189.16406	32.2
191.14343	7.2
191.17958	49.1
193.15823	2.8
195.11751	3.6
197.13300	8.6
199.14806	30.5
201.12793	4.0
201.16379	22.7
203.14313	7.9
203.17964	28.7
205.15941	10.6
205.19690	3.4
207.17378	2.4
209.13235	3.1
211.14827	5.3
213.16386	21.9
215.14354	7.3
215.17929	9.1
217.15935	12.0
217.19493	16.7
219.13797	3.5
219.17480	4.8
223.14804	2.5
223.16907	2.3
225.16461	5.3
227.14359	2.5
227.17935	6.7
229.15855	5.4
229.19498	5.6
231.17430	15.3
231.21156	6.7
235.16914	3.0
237.16408	2.6
239.17816	2.5
241.19693	5.2
243.21118	4.4
245.19046	3.1
249.18550	3.5
251.16379	4.0
253.19652	4.4
255.21133	3.9
257.18924	2.3
257.22659	7.9
259.20581	2.8
269.19034	5.4
271.24283	3.4
283.20590	2.8
283.24091	2.7
367.26172	4.3
403.29694	4.9
409.34052	3.1
421.30545	8.7
421.35526	21.4
439.31567	38.0
439.35855	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	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38480	1.3
55.05517	11.7
57.07084	9.5
67.05513	21.5
69.07076	16.0
69.32023	4.5
69.32442	8.0
71.08640	2.3
79.05495	8.5
79.07274	1.4
81.07059	72.1
81.07539	3.5
83.08622	10.4
89.06030	1.6
91.05482	5.8
91.33223	1.4
93.07044	15.6
95.08614	100.0
97.10163	5.5
100.92392	1.4
105.07044	13.1
107.08599	19.5
109.10165	43.7
111.11697	1.9
117.07044	2.7
119.08584	15.5
121.10151	12.2
123.11713	37.9
129.06972	2.3
131.08607	9.9
133.10144	10.6
135.11716	8.3
137.12204	3.3
137.13263	61.4
143.08572	5.1
145.10158	10.1
147.11710	8.6
149.13280	6.2
151.14874	4.3
154.96953	1.3
157.10123	6.7
159.11688	9.8
161.13278	4.5
163.11099	1.5
163.14819	3.0
168.09286	1.5
171.11708	10.4
173.13243	9.5
175.14825	8.8
177.16391	4.0
179.17943	11.8
183.11711	2.0
185.13329	7.1
187.14864	10.3
189.16394	3.3
191.18044	3.6
199.14795	10.1
201.16411	7.7
203.17982	4.7
204.23096	1.9
205.19649	1.7
209.12971	1.5
213.16441	12.4
215.18010	9.9
217.12277	2.4
217.19595	3.0
219.13948	1.7
227.17946	4.6
229.19521	1.8
231.13692	1.5
237.16225	2.0
241.19518	10.2
243.21048	9.0
245.15562	2.6
247.16975	1.9
255.21066	5.1
257.22641	2.1
259.16974	8.9
269.22665	6.0
273.18539	2.7
287.20151	4.1
315.23361	1.8
367.26202	1.7
393.35294	24.7
421.30814	3.4
439.31277	5.9
439.35770	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	439.3575
Annotation	13,28-Epoxy-11-oleanene-3-one
Peak:m/z	Relative Intensity
52.70928	2.5
55.05505	4.8
57.07082	7.6
67.05502	9.1
69.07067	7.6
69.15234	7.3
69.15639	24.9
69.87997	2.5
71.08616	3.3
79.05487	8.1
81.07083	15.1
83.08629	5.9
89.06030	10.5
90.06321	3.8
91.05470	6.5
92.62933	2.8
93.07037	8.1
95.04917	3.9
95.08603	19.3
99.08104	3.6
105.07039	14.4
107.08589	15.3
109.06543	4.4
109.10152	10.8
119.08582	9.9
121.10098	13.6
123.08079	5.7
123.11671	8.0
131.08548	3.5
133.08612	4.3
133.10141	14.6
135.08009	2.9
135.11696	10.7
145.10126	8.4
147.11668	7.8
149.09605	3.6
149.13316	3.7
151.11172	21.7
157.10022	3.2
157.54633	2.7
159.11699	7.3
161.13226	4.9
163.11223	3.1
165.12749	7.9
172.11594	4.2
173.13326	5.6
185.13310	3.6
187.14771	6.4
193.15829	4.3
199.14867	4.6
201.12791	4.4
201.16432	4.1
203.14276	4.1
203.17802	4.0
239.14931	7.9
240.15289	5.4
421.30588	4.7
439.36194	100.0
440.29196	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	439.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.05517	16.2
57.07058	5.6
62.91994	2.4
65.03951	4.5
67.05509	17.3
69.03429	4.9
69.07074	16.2
71.01353	4.8
76.13923	2.5
79.05502	29.4
81.07065	44.6
82.72910	2.5
83.04990	2.9
83.08621	12.0
85.06561	2.7
89.01432	2.2
90.22180	2.5
91.05492	31.8
93.07050	62.6
95.04974	6.1
95.08615	54.9
97.06510	11.5
97.10171	5.1
99.08089	21.3
105.07039	72.3
107.05016	3.5
107.08599	87.1
109.06524	7.2
109.10168	30.0
111.04460	2.5
111.08087	8.2
111.11656	3.2
115.05441	3.0
117.07053	14.3
119.08591	100.0
121.06522	27.9
121.10157	45.8
123.08078	8.5
123.11729	10.4
125.09674	3.7
128.06268	4.9
129.07022	12.1
130.07797	3.3
131.08578	45.3
133.06523	2.9
133.10143	61.9
135.08073	12.5
135.11694	25.9
137.05962	2.5
137.09621	12.7
137.13252	3.2
141.07004	6.7
142.07814	9.2
143.08560	44.6
144.09352	3.6
145.10139	65.0
147.08069	42.3
147.11694	84.2
149.09647	13.1
149.13272	14.4
153.09021	3.7
155.08572	9.4
156.09369	14.6
157.10155	42.5
159.08104	3.7
159.11714	38.4
161.09631	66.1
161.13261	30.4
163.11177	11.6
163.14809	14.6
165.06908	2.9
167.08565	3.0
167.10709	4.2
168.09315	3.8
169.10120	20.4
170.10971	4.2
171.11688	50.8
173.09639	9.3
173.13293	42.1
175.11189	22.8
175.14812	19.2
177.12814	5.4
177.16402	3.5
181.10210	5.7
181.12216	2.8
182.10960	4.8
183.11717	24.1
185.13269	56.5
187.11282	8.5
187.14851	36.7
189.12766	43.0
189.16415	8.8
190.13658	3.5
190.74088	2.9
191.14359	9.4
191.18007	4.0
195.11719	7.1
197.13304	18.9
199.14821	39.8
201.12759	10.7
201.16360	17.9
203.14296	26.9
203.18059	10.5
207.11789	3.1
208.12355	4.3
209.13301	7.7
211.14789	13.4
213.12840	4.6
213.16333	15.4
215.14348	26.1
215.18036	4.1
217.15984	7.4
217.19510	4.0
221.13435	5.2
223.14873	9.4
225.16429	5.4
227.18018	3.1
229.15887	6.7
231.17511	4.3
233.15425	4.3
233.19087	3.2
235.14784	5.4
237.16393	4.3
239.18036	5.3
241.19495	3.9
243.17470	5.7
249.16495	2.9
251.18033	3.5
253.19496	12.2
255.17451	3.3
263.17822	4.5
265.19479	4.3
267.21130	3.4
271.20694	4.9
281.19162	2.9
285.22171	4.4
287.05807	2.7
299.20099	39.3
301.17346	2.6
309.22528	3.2
351.23199	3.8
363.26993	2.8
365.24719	3.3
367.26337	31.5
375.30554	7.8
391.30069	7.3
393.31531	27.8
403.30048	13.0
409.31232	7.9
411.32599	3.6
421.31046	49.5
428.46014	2.8
439.23227	5.6
439.32159	90.6
440.32242	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3209
Annotation	Salacenonal
Peak:m/z	Relative Intensity
53.03947	2.4
55.05503	7.3
57.07062	2.5
66.82428	1.6
67.05511	15.8
69.03444	2.0
69.07068	6.5
69.38837	15.2
79.05503	10.8
81.07067	22.9
83.04983	3.0
83.08621	4.0
85.06541	3.9
91.05475	11.5
93.07063	20.2
95.04961	2.7
95.08606	23.3
97.06520	2.0
99.08101	8.6
105.07042	24.7
107.08613	30.0
109.06519	4.6
109.10178	28.4
117.07035	5.3
119.06017	2.2
119.08590	37.4
121.06516	3.8
121.10143	21.6
123.08069	4.6
123.11725	11.8
125.09633	2.5
129.07047	4.1
129.61711	1.7
131.08563	17.4
133.10143	29.7
135.11714	12.2
137.09663	3.3
137.13240	2.4
142.07857	3.5
143.08577	10.9
144.09360	2.8
145.06543	2.1
145.10136	20.4
147.08061	2.7
147.11697	13.7
149.09654	2.1
149.13269	5.2
151.11197	5.3
155.08618	4.1
156.09312	3.4
157.10130	12.2
158.10980	3.4
159.11705	19.5
161.09595	3.0
161.13313	10.2
163.11174	3.2
163.14905	3.2
165.12878	3.1
169.10167	10.2
170.10905	4.5
171.11737	13.8
173.13289	18.9
175.11246	2.7
175.14822	11.5
177.12802	3.4
177.16367	2.9
181.10170	3.7
182.10765	2.3
183.11743	10.7
185.13245	13.5
187.11209	4.0
187.14861	17.4
189.16402	5.0
189.45107	1.9
191.14276	3.0
195.11725	5.9
197.13237	8.7
199.14856	9.5
201.12752	7.9
201.16508	6.0
203.14388	3.7
205.15944	6.4
207.11925	3.0
209.13278	4.2
211.14839	9.8
213.16411	6.0
215.14325	3.7
215.17949	2.4
217.15805	5.2
223.14780	3.5
225.16492	5.6
227.18098	2.5
229.15956	3.5
231.17511	2.4
237.16353	3.8
239.18015	4.0
241.19490	8.8
243.17480	2.3
251.17949	5.9
253.19649	3.2
255.21184	2.6
257.19006	3.0
265.19666	2.3
267.21124	2.2
269.19009	5.3
271.20624	5.9
283.20581	2.9
299.20084	3.4
321.25745	2.0
349.25137	2.6
367.26440	8.6
375.30594	4.5
388.27408	2.2
393.31525	6.5
403.30023	16.1
404.70313	2.0
411.32504	3.9
421.31055	33.4
439.32086	100.0
440.32562	5.4
457.65500	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.2
55.01873	3.5
55.05510	18.6
57.07081	4.7
60.62813	2.1
67.05502	20.2
69.03424	4.9
69.07068	18.7
69.66248	10.9
71.04980	1.9
77.03992	2.0
79.05494	20.8
81.03413	3.7
81.07056	31.4
83.04975	7.4
83.08625	14.7
85.06527	3.8
91.05478	27.2
93.06487	3.1
93.07047	41.9
95.04996	8.4
95.08606	51.7
95.09184	3.5
97.06543	8.8
97.10173	1.6
99.08076	12.1
103.05457	1.8
105.07030	39.8
106.02950	1.8
107.08595	45.1
109.06531	8.7
109.10153	19.7
111.08067	10.0
113.09647	6.9
117.07019	11.0
119.04987	2.3
119.06165	2.0
119.08584	51.6
121.06506	8.7
121.10139	28.7
123.04439	3.1
123.08078	6.5
123.11700	3.4
124.03954	4.5
125.09595	3.4
128.06227	2.7
129.07004	7.0
131.08566	24.5
133.06447	2.2
133.10135	42.9
135.04289	1.8
135.08037	8.5
135.11703	12.1
137.02374	4.1
137.09634	15.5
139.11183	5.4
140.31816	2.2
141.06964	4.7
142.07814	8.7
143.08578	17.9
144.09348	2.2
145.10115	37.1
147.04364	2.8
147.08049	10.9
147.11687	24.8
149.09636	15.4
149.13226	8.1
151.11176	3.9
153.01852	3.1
153.12723	4.6
154.07806	2.4
155.08559	11.2
156.09354	4.8
157.10126	28.2
158.10893	2.5
159.08051	3.0
159.11702	31.1
161.09656	9.8
161.13264	9.8
163.03880	2.6
163.11156	14.1
163.14838	6.0
165.06987	2.7
166.02231	2.5
167.08585	3.6
168.09360	2.4
169.10130	17.4
170.10889	4.3
171.11688	29.6
173.09612	5.6
173.13258	28.3
175.11208	7.5
175.14847	10.8
177.12770	3.9
177.16415	2.1
179.08566	3.4
179.14217	2.4
181.10121	5.0
182.10817	4.6
183.11679	26.5
184.12489	2.5
185.13252	20.5
187.11206	5.5
187.14787	13.5
189.12764	5.7
189.16399	4.2
189.26321	1.9
191.14333	6.9
192.03766	2.2
193.10260	3.5
193.12312	5.8
193.15923	3.5
194.10886	2.9
195.11656	9.2
196.12538	1.9
197.09579	2.2
197.13255	18.5
199.11218	4.6
199.14833	14.1
201.12744	4.8
201.16417	8.2
203.14256	11.8
203.17827	2.6
205.15884	3.7
207.11687	5.8
209.13260	11.7
211.14861	10.6
213.12808	2.9
213.16380	8.4
215.14311	3.9
215.17981	3.2
217.15988	7.1
219.11714	1.9
219.17412	3.3
221.13313	3.8
221.15465	2.8
223.14824	7.6
225.16449	6.5
227.17865	5.1
229.15887	5.3
229.19539	2.6
233.13315	2.5
233.15485	2.6
235.14827	5.3
237.16426	5.2
239.17908	5.1
241.15944	4.2
241.19543	3.9
243.17455	2.8
245.15378	2.2
247.14798	3.9
249.16418	5.7
251.14128	2.3
251.17998	4.6
253.15892	2.8
253.19618	7.8
257.18948	2.1
259.20758	3.6
263.18027	2.5
265.19580	2.8
267.21051	4.5
269.19125	3.2
271.20663	4.3
277.19464	2.8
279.21109	2.2
281.19162	3.4
283.20605	2.7
285.22263	4.7
287.05453	11.6
293.22638	2.6
299.20154	3.7
303.05045	2.4
303.20901	2.6
311.23581	3.3
323.23926	2.2
333.22220	3.5
337.21613	2.7
337.25275	2.3
339.23212	3.3
349.25085	3.2
351.23196	4.2
365.24704	2.5
367.26215	5.5
375.30963	2.1
379.30246	2.2
391.30035	9.4
393.31363	4.2
397.11874	3.6
403.29944	15.5
409.30966	10.6
411.32596	2.5
412.82791	1.8
421.31042	40.7
439.23474	8.9
439.32095	100.0
440.32642	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	439.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.1
55.05511	10.8
56.72679	2.1
57.07064	3.9
67.05505	18.3
69.03415	2.9
69.07071	15.2
69.86456	11.3
71.04971	3.2
79.05506	14.0
81.03413	3.1
81.07063	27.7
83.04980	4.1
83.08630	6.4
91.05479	23.7
93.07057	36.5
95.04993	3.3
95.08608	40.7
99.08097	14.9
105.07036	39.6
107.08605	47.7
108.34135	2.1
108.98222	2.4
109.06527	5.9
109.10163	34.4
111.08086	4.7
113.09646	2.6
115.07620	2.2
117.07040	9.4
119.08585	58.1
119.09375	4.3
121.06548	3.5
121.10152	43.6
123.08075	5.5
123.11736	11.9
125.09679	3.1
127.07576	4.8
128.06195	2.6
129.07025	4.9
131.08585	32.7
133.10153	37.9
135.08067	6.7
135.11682	18.5
137.09612	3.7
137.13251	3.2
139.11232	2.4
141.07115	2.2
142.07785	6.6
143.08565	20.9
144.09337	4.1
145.10123	40.3
147.08081	3.9
147.11714	26.7
149.05957	2.7
149.09689	4.9
149.13263	14.3
151.11214	4.4
155.08554	4.3
156.09387	3.9
157.10152	20.7
157.70149	2.1
158.10854	2.3
159.08052	2.7
159.11723	31.1
161.09671	5.8
161.13271	18.6
163.11264	5.4
163.14865	9.1
163.84151	2.1
165.12836	2.7
167.08557	2.5
169.10098	10.4
170.10986	3.8
171.11713	17.3
173.09703	3.5
173.13271	29.6
175.11241	3.5
175.14839	16.8
177.12796	8.3
177.16437	7.7
179.14345	5.5
181.10075	4.6
183.11752	14.2
185.13269	19.5
187.11250	3.8
187.14816	35.6
189.12764	8.1
189.16380	16.7
191.14354	7.6
193.15843	2.9
195.11861	3.8
197.13391	12.1
199.14842	14.0
201.12766	11.6
201.16422	14.1
203.12680	2.1
203.14276	11.0
203.18018	5.7
205.12288	2.3
205.15918	18.3
207.11736	4.8
207.17448	5.0
209.13304	6.5
211.14883	8.1
213.16423	12.7
215.14371	8.7
215.18016	6.2
217.15961	7.2
219.13881	7.1
221.13358	3.0
223.14868	4.0
223.16907	3.0
225.16393	6.9
227.14319	4.2
227.17929	11.3
229.15971	3.7
229.19560	5.5
233.15485	5.5
237.16443	4.5
239.17999	10.0
241.15735	2.8
241.19589	6.1
243.17480	3.9
245.19038	5.1
253.19528	3.0
255.17458	2.8
255.21298	3.3
259.17017	5.8
269.19064	6.1
271.16968	4.0
273.18558	6.1
287.20157	2.8
293.22690	2.8
349.25516	3.1
367.26447	6.7
375.30563	6.1
391.29837	3.4
393.31543	28.3
403.30060	10.0
409.31189	4.7
414.79755	2.2
421.31100	40.6
439.32199	100.0
440.32437	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	439.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50209	2.2
69.80501	6.9
69.80906	3.9
76.68324	1.6
110.76801	1.6
110.97463	1.6
121.44798	1.5
122.97220	1.7
155.01958	1.6
277.08942	3.5
373.94516	1.7
407.05496	3.7
439.08334	100.0
439.13675	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78720	0.4
53.64285	0.3
55.05498	0.9
67.05476	1.2
68.99797	0.7
69.03412	0.8
69.07037	1.2
70.82470	0.4
71.04918	0.4
71.49885	0.5
71.50256	0.4
79.01826	1.3
79.05468	1.5
81.07059	3.2
83.04987	0.5
83.08601	0.7
85.06522	0.4
91.05483	2.2
93.07065	2.6
95.01122	0.4
95.04971	0.4
95.08605	2.7
97.02703	0.5
97.10144	0.4
99.08068	0.6
103.05465	0.4
105.03384	0.6
105.07053	2.7
107.04915	0.8
107.08582	3.2
109.02848	0.6
109.06506	0.4
109.10146	1.4
111.00787	1.5
111.08069	0.6
113.02105	0.8
117.07037	0.7
119.04942	0.4
119.08578	3.8
121.02877	3.2
121.06468	0.9
121.10146	2.0
123.04462	0.4
123.08054	0.6
123.11683	0.9
125.02262	0.6
128.06172	0.4
129.07004	0.9
129.09120	0.5
131.08626	1.8
133.02893	0.7
133.06529	0.5
133.10167	2.4
135.08043	0.6
135.11667	1.5
137.02319	1.4
137.05934	0.5
137.09624	0.5
142.07716	0.4
143.03389	1.5
143.08521	0.6
145.06488	0.5
145.10103	1.5
147.04448	1.8
147.08037	0.6
147.11662	1.3
149.13213	0.6
153.01849	18.8
153.02950	0.9
154.02156	0.4
155.08560	0.6
156.09341	0.5
157.06473	0.5
157.10130	1.9
158.05624	0.4
159.11688	1.7
161.06046	0.4
161.09654	0.8
161.13268	1.1
163.03940	0.5
163.11142	0.4
163.14790	0.7
165.01849	2.5
169.04713	0.6
169.10129	0.8
171.11665	1.9
173.13269	1.6
173.14546	0.4
175.14853	0.8
177.16382	0.6
183.02916	1.2
183.11707	1.2
185.04333	0.4
185.06010	1.1
185.13283	1.6
186.04886	0.4
187.14888	1.8
189.16290	0.4
191.14355	0.5
196.42339	0.4
197.13197	0.9
199.14867	1.1
201.12755	0.6
201.16418	0.8
203.05240	3.0
203.14268	0.5
205.15926	0.6
207.40225	0.4
211.14708	0.5
213.05518	1.4
213.16315	0.6
215.14250	0.7
217.15869	0.4
227.17857	0.4
231.06509	1.2
241.04951	1.2
241.19664	0.5
249.16531	0.4
258.05243	1.6
259.06042	0.6
259.09561	0.5
259.16754	2.8
269.04440	0.4
277.17749	1.5
287.05527	100.0
288.05902	3.6
309.21548	0.4
367.26236	0.7
369.18866	5.1
393.31711	1.1
403.29941	0.5
421.31238	2.2
427.06586	0.4
439.06711	22.2
439.23087	95.5
439.31732	5.2
440.07117	0.6
440.23193	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65382	1.6
55.01867	4.0
55.05525	4.1
57.03428	1.9
57.07062	1.8
57.30407	1.6
60.61537	1.6
67.05513	4.9
69.03418	7.3
69.07063	5.7
69.35992	14.8
71.08242	3.3
71.08634	55.1
79.05507	2.7
81.03416	8.0
81.07044	5.4
85.02917	14.9
85.06535	2.0
87.00842	8.2
91.05460	3.3
93.07064	5.0
95.08593	6.1
97.02908	9.2
97.08272	1.4
99.04433	1.9
99.08096	100.0
105.01881	3.6
105.07023	5.2
107.08595	4.4
109.02866	8.2
109.10164	3.5
119.08549	3.1
121.10117	3.1
127.03924	10.5
129.12758	10.7
129.40816	1.7
131.08638	2.0
133.10132	3.9
145.04990	4.6
145.10141	2.7
155.08636	2.0
155.14270	3.2
159.02867	2.8
173.15390	68.9
186.13605	2.0
212.09987	2.6
335.41837	1.8
420.29922	3.0
438.30847	7.3
464.04376	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.4
55.05513	13.5
57.07084	6.2
66.65482	2.0
67.05514	16.2
69.07079	17.1
70.10361	8.5
79.05510	16.9
81.03412	2.2
81.07061	34.2
83.04979	3.1
83.08636	14.4
85.06546	2.3
91.05483	15.7
93.07050	32.5
93.51428	2.0
95.08612	67.0
97.10205	4.7
99.08097	3.8
105.07038	47.1
105.07668	2.5
107.08602	49.4
109.06581	3.3
109.10153	30.3
117.07073	7.3
119.08592	76.1
121.10159	43.0
123.11703	20.4
123.12441	1.9
129.07034	3.0
130.07986	2.0
131.08580	21.5
133.10150	53.7
133.11087	3.9
135.08151	2.4
135.11729	27.7
137.13333	5.8
142.07825	2.1
143.08611	9.9
144.09387	2.6
145.10132	43.8
145.11145	3.0
147.11691	48.5
149.13289	15.4
151.07683	2.6
153.09198	6.3
155.08643	3.3
157.10231	7.3
158.11029	3.4
159.11710	38.6
159.12856	2.5
161.09781	2.8
161.13284	25.1
163.07555	2.8
163.14900	5.8
165.09224	2.7
169.10266	4.3
171.11765	11.4
173.13297	16.3
174.14105	2.3
175.14857	29.3
175.16278	2.5
177.09215	2.3
177.16417	17.7
183.11836	8.4
184.12572	2.1
185.13356	7.5
187.14824	16.5
189.16400	55.8
190.16786	2.4
191.17993	13.6
197.13353	6.5
199.14925	5.5
201.16403	55.7
203.14723	2.1
203.17973	61.8
207.17632	3.9
209.13461	2.3
213.16527	7.6
215.18001	19.0
217.19678	8.0
219.17586	2.3
221.15637	2.9
225.16486	3.4
227.18097	3.8
229.19594	5.0
235.17105	5.8
239.18175	3.3
241.19586	5.1
243.21271	7.4
247.17136	8.2
249.18651	3.9
253.19780	3.5
255.21262	3.4
261.18671	7.8
269.22754	4.5
295.24405	5.8
299.20245	3.4
301.21768	3.5
381.28006	3.5
391.33615	19.1
394.29016	4.8
419.29581	5.7
437.34525	100.0
438.34695	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.1
55.05528	10.9
56.59737	1.3
57.07081	3.9
57.66147	1.5
65.03959	1.5
67.05513	15.1
69.07078	16.3
71.50239	2.3
76.02579	1.6
76.05078	1.6
77.52495	1.5
79.05501	12.4
81.07063	29.9
83.08647	7.6
83.11369	1.8
88.33954	1.5
91.05482	15.5
93.07056	34.8
94.92493	1.5
95.04966	1.6
95.08617	59.8
97.10159	3.1
105.07043	47.6
107.08608	49.6
107.09309	2.7
109.10166	26.1
115.05596	1.6
117.07011	7.6
119.08593	70.0
119.55959	1.7
121.10153	37.1
123.11726	15.2
129.07016	3.8
130.07800	1.9
131.08611	17.6
133.10146	48.2
133.11099	2.8
135.08101	2.1
135.11703	25.3
137.13306	5.5
143.08585	9.5
144.09390	2.5
145.10138	37.9
147.11696	39.6
147.12814	2.7
148.70822	1.8
149.13295	17.2
151.07605	2.2
151.14850	2.4
153.09183	5.2
155.08598	2.2
157.10173	10.0
158.10890	2.8
159.11708	39.3
160.12460	2.2
161.13263	19.1
163.14836	8.9
169.10220	3.6
171.11739	5.7
173.13313	17.0
174.14124	2.0
175.14854	28.5
177.09149	3.2
177.16405	17.4
177.17595	1.7
183.11810	4.8
185.13231	7.9
187.14867	13.2
189.16399	50.3
191.14621	1.9
191.17952	11.5
197.13274	4.0
197.93465	1.9
199.14919	5.4
199.73793	1.8
201.12700	1.8
201.13417	1.6
201.16403	56.2
203.17967	57.6
207.17599	3.0
209.69009	2.0
211.14937	3.4
213.16478	6.4
215.14572	1.6
215.17992	22.5
217.12018	2.1
217.19647	5.2
221.15453	2.0
225.16493	3.8
227.18047	3.3
229.15994	2.3
229.19656	5.3
233.15335	1.9
235.17065	3.0
239.17976	4.3
241.19505	3.9
243.21236	6.5
247.16920	9.7
253.19612	3.9
255.21159	3.2
261.18555	9.4
267.21155	1.6
269.22861	2.9
283.24213	1.8
287.20294	2.6
295.24310	5.4
299.20221	3.8
301.21661	3.1
309.52585	2.1
315.23398	1.9
321.25943	2.2
328.14703	1.6
349.28922	2.4
351.04895	1.6
355.26672	1.6
365.24982	1.9
391.33664	16.5
394.28745	3.1
437.34445	100.0
438.34769	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	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05516	6.0
57.07082	1.9
65.03964	1.0
67.05510	8.3
69.07076	8.4
69.74126	5.5
79.05492	8.8
81.07065	13.9
83.08635	4.7
91.05487	9.7
93.07050	10.7
95.08614	37.1
96.08984	0.9
96.21175	1.0
97.10179	1.6
105.07040	21.0
107.08603	27.8
109.10162	14.1
111.08041	0.9
117.07024	3.6
119.08591	64.8
121.10139	17.1
123.11710	4.7
129.07042	1.6
131.08611	5.1
133.10138	35.4
135.08011	1.1
135.11691	7.6
143.08612	2.4
144.09352	2.5
145.10138	32.1
146.10918	1.4
147.11700	26.2
149.13268	5.3
153.09125	2.7
157.10139	2.4
158.10892	1.8
159.11702	39.1
160.12270	1.3
161.13272	11.2
163.14859	4.1
165.09277	1.2
167.10667	1.7
171.11716	3.1
173.13300	8.7
174.32166	0.9
175.14842	8.7
177.16357	8.4
185.13231	2.5
187.14836	33.5
188.15054	1.1
188.50034	1.0
189.16399	85.2
190.16699	2.0
191.18027	5.6
197.13374	1.3
199.14915	1.6
201.16409	14.3
203.14369	0.9
203.17970	21.5
205.15891	6.6
205.19505	2.5
207.17398	1.4
209.96436	1.1
213.16382	6.7
215.17970	5.5
215.31676	1.2
217.19469	2.0
219.21085	1.6
227.17987	1.2
229.19496	1.9
235.17009	2.2
241.19388	0.9
247.16971	2.2
249.18477	2.7
302.35123	1.1
391.33624	4.6
409.34714	2.1
435.54938	0.9
437.34244	100.0
438.34464	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	437.3418
Annotation	Alertenone
Peak:m/z	Relative Intensity
55.05507	7.9
57.07067	3.6
67.05493	14.6
69.07058	13.5
79.05489	10.2
81.07064	29.9
83.04969	2.9
83.08593	5.7
84.99507	3.1
87.04481	3.3
91.05474	12.4
93.07040	25.7
95.08616	39.2
97.10143	3.2
98.21625	6.8
104.97401	3.4
105.07033	45.5
107.08591	42.2
108.68532	3.3
109.10164	26.9
111.08041	3.6
117.07012	7.7
119.07808	5.5
119.08582	61.7
121.10146	50.0
123.08059	3.3
123.11679	9.0
129.03201	3.3
129.04216	2.9
131.08582	18.6
133.10120	29.0
135.11688	13.8
143.08569	12.8
144.09521	3.4
145.10133	27.0
147.11711	19.1
149.13289	17.1
155.08549	7.0
157.10136	18.6
158.10863	3.8
159.11684	25.0
161.13258	12.2
163.14877	20.0
163.21687	3.7
164.89915	3.6
165.12741	7.5
169.10152	7.9
171.11682	20.2
173.13231	21.9
175.14787	21.7
177.16426	28.8
181.35033	3.9
183.11671	9.3
185.13293	16.9
187.14854	27.4
189.16380	21.8
191.17970	3.8
191.38991	3.2
195.11708	5.0
197.13249	6.8
199.14883	17.0
201.12781	4.2
201.16454	21.4
203.17955	6.0
205.15887	5.4
209.13315	6.4
211.14772	6.4
213.16431	11.3
215.18138	6.9
219.13782	4.0
223.14755	5.7
225.16386	7.2
227.17998	6.7
229.19479	4.6
235.16905	6.6
237.16342	5.6
239.17888	4.9
241.19464	4.5
243.17456	12.0
251.18019	4.7
257.19052	12.0
261.18527	12.1
269.22614	7.7
273.18643	5.0
275.20135	25.3
299.20059	4.7
299.39075	3.1
305.22852	4.1
309.25674	5.4
361.28909	3.5
401.31943	13.0
419.33301	29.8
437.34528	100.0
438.34634	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	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34697	3.2
55.05508	17.0
57.07066	7.2
63.22449	3.1
65.03934	4.7
65.48406	2.6
67.05511	30.6
69.07071	22.6
69.66880	15.8
72.97067	2.9
74.81217	3.1
79.05499	18.1
81.06610	3.7
81.07063	70.9
83.08617	13.6
83.20753	3.0
91.05474	22.6
93.07053	42.5
95.08610	100.0
97.10154	4.4
99.08093	4.0
105.04445	3.0
105.07037	48.2
106.42178	3.3
107.08601	68.0
109.10170	47.1
113.56715	2.9
117.07029	7.5
119.08588	68.0
121.10142	51.1
121.83832	3.1
123.11708	26.2
129.07031	5.2
131.08575	26.1
133.10143	43.1
135.11705	42.1
137.13271	27.4
143.08543	19.2
145.10135	43.5
147.11687	26.0
149.13261	29.1
151.14821	4.7
151.37531	3.2
153.09109	4.5
157.10143	12.8
159.11699	36.9
161.13263	24.0
163.14804	12.1
169.10176	8.8
171.11674	14.0
173.13293	28.9
175.14838	23.5
177.16333	22.8
181.10049	3.9
183.11694	5.7
185.13354	15.3
187.14784	20.5
189.16391	32.1
191.17937	24.1
197.13261	6.7
199.14778	20.2
201.16385	66.0
203.17964	32.3
211.14893	5.8
213.16449	19.2
215.17972	20.7
217.19595	6.4
219.13858	5.4
219.17496	4.1
225.16405	5.7
227.17952	7.3
229.19498	7.4
239.17897	10.1
241.19472	19.2
243.21042	6.1
245.15419	6.0
247.16917	9.3
253.19447	6.5
255.21095	10.6
257.22678	4.4
259.16888	10.4
269.22745	5.4
285.18573	6.6
285.25961	3.4
287.20081	7.5
299.20010	7.7
391.33453	24.9
402.33817	4.2
409.34607	3.9
437.34415	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44577	1.9
52.74670	1.8
53.03943	2.5
55.05518	13.4
57.07076	4.0
60.95959	2.0
62.02134	1.8
65.03927	2.3
67.05511	20.9
69.07069	19.1
69.22414	17.8
79.05512	16.3
81.07059	44.2
81.73563	2.1
83.04977	2.5
83.08639	12.8
91.00607	1.7
91.05485	20.0
93.07046	37.9
95.04950	2.8
95.08612	69.2
97.10152	6.3
105.07040	50.2
107.08601	58.5
109.06509	3.9
109.10162	34.5
117.07047	10.3
119.08592	79.0
121.10151	46.8
123.11716	18.8
129.07011	6.1
130.07796	3.2
131.08595	25.4
133.10141	59.8
135.08037	1.9
135.11694	29.2
137.13257	5.0
143.08548	7.6
144.09413	4.0
145.10132	39.6
147.08080	2.2
147.11691	44.8
149.13254	15.1
150.44092	2.2
151.07552	3.5
151.14771	2.3
153.09094	3.7
155.08635	2.7
156.09398	2.2
157.10152	11.7
159.11710	47.6
160.12418	4.3
161.09540	2.6
161.13277	28.3
163.14822	10.0
165.09198	2.8
169.10133	3.4
171.11711	9.5
172.12386	1.9
173.09628	3.0
173.13277	18.3
175.11270	2.9
175.14841	30.6
177.09160	3.5
177.16380	21.7
181.10147	2.9
183.11743	5.4
185.13277	7.6
186.14043	2.3
187.14845	14.1
189.16396	64.0
191.17908	12.9
193.15714	2.2
195.11736	3.0
197.13248	3.4
199.14777	4.7
201.16409	56.7
201.18280	3.0
203.17967	64.4
205.19568	2.9
207.17517	2.2
209.13297	2.9
211.14868	4.0
213.16449	6.6
215.18004	22.7
217.19514	6.5
221.15363	2.7
225.16353	4.3
227.17993	5.2
229.19551	5.8
233.15508	3.3
235.16965	4.8
239.17972	2.7
241.19656	3.9
243.21085	5.9
247.16811	9.4
253.19629	2.5
255.21053	4.5
261.18509	11.6
269.22623	3.3
281.22693	2.3
287.20099	2.4
295.24081	4.7
299.20184	3.1
301.21686	2.5
371.77777	2.2
381.27667	4.8
391.33661	22.0
394.28568	5.6
409.35239	2.4
419.29294	5.6
419.34851	5.3
437.34515	100.0
438.34625	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99662	3.8
52.02844	3.5
55.05509	18.0
57.07067	13.1
67.05511	25.4
69.07064	19.6
71.08650	5.9
79.05482	15.9
81.07059	50.2
83.08624	12.5
89.06043	21.3
91.05487	24.3
93.07052	41.6
95.08617	72.9
97.10223	5.5
98.20721	7.7
105.07037	40.5
107.07887	5.2
107.08599	66.7
109.06524	4.7
109.10157	45.6
111.08041	5.8
117.06959	7.9
119.08585	80.4
119.89567	3.6
121.10146	63.9
123.11734	35.2
125.09634	5.0
129.07063	5.9
131.08583	24.3
133.08600	16.1
133.10135	61.8
135.11702	55.3
137.09665	3.8
137.13269	7.6
140.84171	3.8
143.08582	7.2
145.10146	42.1
147.11696	62.2
149.09555	3.8
149.13306	30.1
153.09142	3.6
156.09332	5.5
157.10112	11.5
159.11702	45.2
161.13289	30.2
163.11166	5.6
163.14848	15.7
165.09100	7.0
169.10101	4.8
171.11708	11.5
173.13240	29.1
175.14835	41.4
177.16405	30.0
183.11713	5.0
185.13269	9.7
187.14835	24.0
189.16379	73.8
189.17937	6.2
191.17938	9.2
195.11662	4.9
197.13324	6.9
199.14890	7.7
201.12782	6.5
201.16403	37.2
203.17964	29.6
213.16414	8.7
215.17958	58.2
217.19476	6.5
229.19562	10.9
233.15428	7.1
239.14905	12.7
241.19632	5.9
243.21072	12.0
247.16920	4.6
253.19656	3.4
261.18549	14.1
267.21143	3.6
269.22586	12.8
295.24283	10.6
315.23270	9.1
329.25345	3.6
391.33713	29.1
410.12967	3.6
419.29181	7.6
437.34717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81539	2.0
57.03434	7.1
65.16616	1.8
69.03427	3.0
69.19535	20.8
71.05008	2.6
75.04485	1.8
81.03413	2.2
83.35433	1.9
85.02919	5.4
97.02911	4.9
98.21552	4.5
105.07040	26.3
107.04956	2.4
122.03634	1.9
123.04486	4.2
124.03939	3.7
133.06505	51.1
135.12022	1.8
137.05986	100.0
138.11661	1.8
147.04446	2.5
163.07472	2.7
165.09119	37.4
175.07582	3.3
183.10168	26.0
200.20488	1.8
203.10568	2.8
221.11818	3.6
228.07756	2.0
239.12791	5.6
257.13882	47.4
259.93042	2.0
274.10825	3.7
303.01340	2.5
304.01587	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	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.9
57.07082	5.8
67.05503	14.4
67.05807	1.6
68.07032	1.4
69.07072	19.8
70.72495	3.3
71.08647	2.3
79.05497	10.4
81.07059	40.9
83.08616	7.5
91.05486	9.0
93.07051	19.5
95.08615	72.4
97.10213	3.7
97.91919	1.4
105.07031	26.6
105.07693	1.8
106.07276	1.5
107.08595	36.7
109.10159	33.3
109.10833	2.6
111.11801	1.8
112.49349	1.6
117.07069	4.7
119.08587	43.3
121.10143	27.6
123.11694	18.7
123.12447	1.7
129.07048	3.9
131.08572	12.9
133.10135	22.1
135.11707	13.5
135.12567	1.3
137.13248	9.9
143.08629	6.5
145.10126	35.6
147.11693	23.5
149.13274	13.1
151.14804	9.0
153.09142	2.9
155.08640	2.5
156.09418	2.0
157.10149	10.3
159.11679	21.9
159.12830	1.8
161.13255	15.9
163.07579	2.9
163.14824	12.7
169.10248	5.7
171.11717	12.1
173.13275	17.7
175.14839	27.9
177.16383	11.2
183.11812	5.5
185.13356	6.0
187.14813	13.1
189.16397	22.9
191.17963	14.3
195.11787	2.1
197.13271	2.8
199.14717	7.2
201.16396	26.5
202.16980	1.9
203.17969	21.8
211.14917	5.1
213.16464	9.2
215.17990	16.8
217.19521	8.0
221.15433	3.4
225.16534	4.1
227.18050	3.3
229.19514	7.8
237.16534	2.9
239.17868	8.8
241.19527	16.6
243.21146	7.9
245.15446	3.4
245.22820	1.5
247.16919	8.4
253.19658	6.0
255.21236	4.4
257.19345	1.4
259.17105	5.5
259.20810	1.5
265.19647	2.7
267.21240	2.4
269.22821	2.6
271.17282	2.9
273.18668	2.5
279.21268	2.0
281.22876	2.0
285.18439	8.8
287.20355	3.5
293.90292	1.4
295.24213	7.1
299.20270	4.8
301.21716	2.9
307.24283	2.0
313.21759	4.7
321.26178	3.5
335.27298	3.2
341.24716	2.0
349.29303	2.8
353.24866	2.3
381.28033	2.4
391.33594	24.4
392.33972	1.6
419.29224	2.4
437.34473	100.0
438.34677	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	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.9
55.01855	5.9
55.05512	4.7
57.03433	4.2
67.05504	9.7
69.03442	22.9
69.07062	4.3
69.57173	6.0
69.57583	20.1
71.05010	3.8
71.24056	3.0
73.02899	7.4
79.05476	19.7
81.03413	18.3
81.07056	11.0
85.02912	65.8
87.00844	25.7
91.05486	20.9
93.07050	98.0
95.04942	6.8
95.08611	24.3
97.02892	27.6
98.92934	3.6
99.04448	12.0
105.01872	37.4
105.07054	6.7
107.07888	6.5
107.08598	100.0
109.02896	10.8
109.10155	4.9
114.18119	3.5
114.47727	3.9
119.08581	8.1
127.03925	41.6
134.46463	3.3
135.11707	56.3
141.10907	3.6
145.04997	20.3
147.02843	4.4
153.12701	4.5
159.02928	12.2
179.89806	4.0
189.04019	4.1
231.05089	8.3
286.42426	4.8
300.96341	4.0
315.10324	3.9
388.90598	3.7
435.48969	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	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38982	6.3
57.03440	6.2
57.78751	4.9
65.64847	4.7
69.03424	15.2
70.63084	10.8
72.46970	5.4
73.02899	16.1
73.07352	5.6
74.88660	4.6
79.05478	6.1
85.02937	24.8
87.00838	7.0
91.05484	10.6
91.58189	5.4
93.07043	26.2
97.02930	7.4
102.52359	5.4
104.29912	5.1
105.01865	15.4
105.07028	6.4
107.08595	31.0
109.02911	8.5
127.03931	17.2
135.11690	23.0
145.05037	11.4
147.04378	7.1
153.01820	5.5
168.07452	5.6
303.05014	23.9
304.05380	100.0
334.60043	6.1
446.80566	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.6
54.30309	5.5
55.01860	8.1
61.02921	13.2
62.69983	5.2
65.85742	6.1
67.05514	7.3
69.03434	38.1
69.07076	11.2
69.46098	41.2
71.04983	25.7
73.02927	9.7
78.73453	5.8
79.05510	12.3
81.03423	30.2
81.07080	28.0
85.02916	74.5
87.00841	43.1
88.54767	6.2
91.05485	19.3
93.07048	46.9
95.04967	7.9
95.08610	9.9
97.02905	47.9
99.04433	10.3
105.01855	56.2
105.07037	14.1
107.08607	39.6
109.02893	18.9
109.06494	13.4
109.10139	12.0
117.07073	5.7
119.08601	18.3
121.10158	7.9
123.11760	7.5
127.03922	53.7
130.82727	5.3
135.11697	45.0
143.08545	7.2
144.47932	5.2
145.04984	28.3
147.04408	24.8
147.11745	7.1
148.04765	28.6
153.12764	100.0
159.11690	6.4
165.12817	6.5
167.74010	5.7
173.09654	8.0
177.12738	8.4
189.44676	7.1
195.13750	13.7
206.52101	6.6
231.04965	14.7
243.13821	10.8
249.06000	6.1
261.14856	9.7
351.14874	5.8
365.15848	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	436.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
55.01865	10.8
57.03426	9.6
60.04507	2.7
61.02928	7.1
61.06506	2.7
64.82280	2.4
65.83920	2.4
67.05503	3.1
68.99787	7.1
69.03090	3.8
69.03434	38.4
71.05003	6.6
71.05387	2.4
71.28473	6.4
73.02908	8.6
81.03419	39.9
85.02914	100.0
87.00379	3.7
87.00840	36.1
91.03954	3.0
93.03391	3.1
97.02900	42.4
99.04453	13.9
105.01888	24.7
107.04958	6.8
108.04474	11.2
109.02885	25.7
111.04457	14.5
117.01928	3.9
121.07906	2.8
126.05505	5.5
127.03931	56.8
129.01837	5.5
133.04953	4.2
139.03900	45.2
145.04961	30.7
159.02888	24.1
163.03964	13.5
169.05017	3.0
171.06554	68.3
177.75009	2.5
181.04939	11.0
189.03903	5.4
194.54973	2.6
195.06569	31.6
205.04982	3.7
213.07639	25.5
229.07182	3.2
231.05008	12.7
237.07664	17.1
248.07661	6.5
256.10843	3.6
258.75238	2.9
261.07562	11.8
279.08722	18.3
433.53128	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	435.3262
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
55.05510	9.8
57.07084	1.9
63.59422	1.3
67.05510	9.4
67.53801	1.3
69.07072	13.0
70.63080	3.4
70.63455	3.1
75.54985	1.3
79.05510	9.2
81.07065	21.7
83.08635	7.5
84.61264	1.5
91.05480	13.7
93.07047	16.7
95.04963	3.7
95.08619	35.3
95.09193	3.0
105.07034	27.1
107.08605	32.1
109.10164	19.1
115.05437	1.8
117.07027	4.7
119.08593	51.6
121.10158	24.8
123.04459	6.2
123.11751	8.2
125.06061	1.8
125.09570	1.4
128.06212	1.4
129.07027	3.3
131.08566	15.4
133.10147	46.0
135.11693	12.6
137.13298	2.6
142.07816	3.6
143.08565	11.1
144.09372	2.8
145.10130	35.6
147.11699	19.1
149.13297	7.3
155.08597	4.3
156.09366	3.4
157.10136	15.8
158.10876	2.0
159.11696	31.4
161.13297	13.8
163.07590	3.2
163.11316	2.4
163.14871	5.5
169.10207	5.7
170.10942	3.6
171.11716	17.0
172.12436	1.9
173.13284	16.3
175.14836	19.3
177.09192	1.5
177.16403	7.9
181.10213	2.8
182.11003	1.7
183.11728	7.5
184.12479	1.9
185.13292	12.5
187.14810	23.3
189.12862	1.6
189.16402	19.6
191.10719	2.0
191.18057	2.3
195.04492	1.4
195.11742	2.5
197.13284	7.2
198.14085	1.7
199.14841	14.2
201.16409	37.6
203.14388	1.5
203.17921	10.1
207.11810	2.1
209.13319	2.2
211.14908	6.3
213.16409	29.5
215.14441	2.2
215.17976	11.8
219.13806	2.8
223.14928	4.5
225.16402	3.0
227.18021	6.1
229.19530	2.1
233.15404	2.6
237.16376	3.6
241.19611	5.5
245.15324	1.5
247.17117	3.9
251.18138	3.3
253.19482	3.3
255.20958	1.7
261.18585	2.8
263.18253	1.5
265.19629	2.2
267.21170	2.6
271.17007	1.4
273.18649	1.8
277.19412	2.8
285.18552	1.8
293.22598	6.9
295.24231	3.3
299.20239	2.4
303.01550	3.6
313.21533	2.1
319.24365	2.0
325.21832	1.6
327.23260	2.4
339.23224	1.8
365.24820	3.6
379.26227	3.3
389.32147	21.5
435.32724	100.0
436.33093	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3259
Annotation	Myltaylorione B
Peak:m/z	Relative Intensity
53.03930	0.9
55.01866	1.3
55.05518	7.8
57.07069	2.0
59.04998	0.9
67.05505	14.1
69.03453	1.0
69.07068	10.2
70.40137	1.8
70.40491	1.5
71.04985	1.4
73.93643	0.7
79.05501	7.8
81.07060	21.5
83.04998	1.5
83.08627	4.5
85.06556	3.4
91.05486	12.7
93.07052	17.0
93.07638	1.2
95.04974	2.6
95.08611	30.0
96.67592	0.7
97.06520	2.2
97.10185	2.3
98.98527	0.7
99.08083	1.4
103.05505	0.8
104.00497	0.7
104.27400	0.7
105.07036	31.1
107.08595	25.1
109.06510	4.7
109.10155	18.9
111.08102	3.0
113.09665	0.9
115.05441	1.1
117.07014	5.0
119.08582	36.6
121.06511	0.9
121.10152	19.3
123.08071	3.7
123.11716	4.0
125.09639	1.4
128.06244	1.6
129.07022	3.9
130.07794	1.4
131.08577	17.6
133.10133	22.7
135.08089	2.3
135.11693	10.6
137.09598	4.2
137.13251	1.5
141.07025	2.3
142.07794	4.3
143.08578	13.8
144.09348	2.2
145.10124	25.6
147.08060	2.7
147.11684	11.2
149.09660	3.8
149.13257	7.2
151.11250	1.1
155.08553	4.4
156.09344	3.8
157.10127	17.4
158.10887	3.2
159.08064	1.9
159.11696	21.2
161.09615	4.4
161.10823	0.7
161.13268	10.7
163.11241	2.2
163.14848	5.0
165.07004	0.7
165.12779	2.3
167.08633	2.2
168.09413	2.0
169.10147	9.1
170.10919	3.3
171.08170	0.9
171.11710	12.8
172.12454	0.9
173.09802	1.1
173.13272	20.4
174.13985	1.1
175.11189	4.0
175.14838	16.8
175.16304	1.3
177.12779	3.0
177.16342	6.0
179.08611	1.5
180.94557	0.7
181.10155	4.1
182.10916	3.0
183.11664	8.8
184.12521	2.0
185.13240	12.0
187.11264	1.6
187.14824	15.9
189.12772	2.4
189.16454	8.1
191.14349	2.5
191.17993	2.7
193.10164	3.0
193.15933	2.8
194.10878	1.6
195.11728	4.4
196.12502	2.5
197.13277	10.0
199.11165	1.3
199.14835	13.1
201.12778	1.9
201.16382	10.9
203.14325	5.5
203.18019	2.8
205.15921	3.4
207.11696	2.0
208.12367	1.2
209.13306	5.1
210.14059	1.5
211.14815	8.2
212.15530	0.8
213.12848	1.0
213.16383	13.0
215.14398	4.8
215.17953	7.3
217.15872	16.4
219.11690	1.2
221.13260	3.2
221.15279	1.7
223.14832	4.8
225.16399	5.9
227.14413	1.6
227.17877	3.5
229.15900	4.7
229.19568	1.2
231.17470	5.1
232.12576	0.8
233.13147	1.4
235.14787	2.2
235.16971	2.3
236.15605	1.4
237.12929	0.8
237.16431	3.8
239.14307	0.8
239.18040	3.3
241.15959	2.6
241.19650	1.3
243.17419	3.7
245.15395	2.4
249.16461	1.9
251.18073	2.4
253.19554	1.9
255.17584	1.1
257.18915	1.3
259.14651	1.0
259.17032	4.5
261.16202	1.3
261.18692	1.8
263.18048	1.6
265.19540	3.7
267.21268	2.2
277.19489	1.5
279.21103	2.6
281.22617	0.9
283.20612	2.7
285.22250	1.1
289.19583	1.6
291.21091	2.4
293.22614	2.0
301.19318	0.8
303.01401	5.1
305.22626	1.7
307.20804	1.4
307.24115	1.6
309.22189	1.9
311.23712	1.0
317.22620	1.5
319.24258	1.6
329.22925	0.8
331.24380	1.1
333.25937	1.0
335.23550	0.9
345.25629	1.0
347.23932	1.0
349.29031	2.8
359.27402	2.4
363.27005	1.6
374.29721	0.8
375.30939	1.3
377.28433	3.3
389.27835	0.7
389.32336	5.7
399.30487	4.0
407.28650	1.5
407.33743	4.9
417.31601	26.2
435.32700	100.0
436.33081	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	435.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.9
54.28182	3.1
55.01852	5.3
55.05515	13.5
57.07088	4.7
63.99681	3.7
65.03928	6.4
67.05502	16.4
69.03418	6.6
69.07087	19.8
71.49670	5.2
76.97054	3.1
79.05504	23.1
81.03416	5.1
81.07064	34.9
82.04222	5.0
83.08602	8.7
85.02923	6.5
91.05476	30.9
93.07053	40.2
95.04962	6.5
95.08616	48.3
97.06516	7.4
97.10187	6.1
99.08083	4.2
103.05505	3.9
105.07043	50.4
106.04230	3.8
107.04989	18.4
107.08614	45.5
109.06538	4.4
109.10167	21.1
111.08110	9.8
112.25600	3.5
115.05469	8.7
117.07020	18.2
119.08589	74.1
119.80206	3.1
121.06504	5.3
121.10149	36.6
123.04417	4.4
123.08102	3.6
123.11735	8.3
125.06069	4.4
127.03941	9.4
129.07010	8.8
130.07777	4.0
131.04932	4.2
131.08580	33.8
133.10141	57.2
135.11723	22.9
137.05957	3.6
141.07021	3.7
142.02760	3.9
142.07787	5.1
143.08620	16.9
144.05698	3.3
144.09352	5.0
145.06514	13.2
145.10144	62.4
147.11714	22.3
149.13271	7.9
151.07549	4.2
155.08533	9.9
156.09389	6.6
157.10162	31.2
159.08080	6.3
159.11697	49.8
161.06064	4.8
161.13264	25.8
163.14861	3.9
167.07060	53.5
169.10187	11.6
170.10945	7.1
171.11684	27.3
172.05193	9.8
172.12415	3.5
173.05940	8.4
173.13281	23.6
175.14857	29.0
177.16399	8.0
181.04973	97.4
181.08617	4.3
181.10207	5.3
183.11688	16.7
185.13271	29.1
187.07533	4.6
187.14824	27.4
189.12851	3.9
189.16394	53.0
191.07135	3.6
191.10849	4.0
191.14368	4.8
193.10194	4.6
195.06467	3.7
195.11589	5.5
197.13277	11.3
199.14815	18.0
201.05516	8.9
201.16408	83.0
203.18005	10.8
205.08559	5.7
205.15855	7.7
207.11713	6.5
209.13342	7.9
211.14839	6.6
213.16385	17.1
215.17984	11.3
217.12378	5.8
218.05659	4.5
219.10117	5.8
221.08128	5.3
221.15369	4.9
225.16449	7.5
227.18004	7.5
231.17458	5.1
233.08095	56.8
235.14888	5.4
237.16434	5.3
239.18007	6.7
247.16925	6.8
253.19551	5.2
263.09149	13.6
267.21082	4.4
303.01382	10.0
319.23291	4.3
336.57492	3.5
387.14450	10.4
389.32092	14.8
417.15643	29.6
417.27652	8.9
435.33118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1655
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03957	1.4
55.01888	1.8
57.03441	2.2
65.03946	9.2
65.36491	1.1
65.56551	1.0
67.05487	2.8
69.03442	8.2
69.17441	3.5
69.17860	9.3
74.56747	1.0
79.05490	8.9
79.75648	1.2
81.03420	5.2
82.04221	2.2
85.02930	8.1
86.03210	1.3
91.05489	4.8
93.03426	1.8
93.07078	1.3
94.57182	1.1
95.04971	3.4
96.64250	1.1
97.02896	4.3
97.06525	2.4
103.05461	2.2
105.07071	2.2
107.04967	19.6
108.02083	1.2
109.06534	1.4
110.03694	3.0
111.04455	1.6
115.03931	2.6
115.05476	5.8
117.07030	5.5
118.04317	1.2
119.04987	1.8
121.02895	3.8
121.06487	2.2
123.04446	4.9
124.05225	3.7
125.05987	3.5
127.03940	4.8
127.52100	1.2
128.06248	1.3
129.06999	4.8
131.04903	1.5
131.08591	2.3
133.04974	3.0
133.06502	2.7
137.02383	1.3
137.06006	5.3
138.03125	2.8
141.06989	1.6
142.02638	2.6
144.05730	4.6
145.05096	1.4
145.06506	9.3
147.04414	2.5
151.07561	2.8
152.04730	1.4
153.01831	3.8
153.05501	4.2
155.04924	1.5
155.06050	2.0
156.05650	1.5
157.06505	3.9
159.08102	4.7
160.05214	1.4
161.06010	18.9
161.09634	2.7
163.03964	1.4
163.07571	2.2
166.02710	1.3
167.07059	46.5
171.02995	1.2
171.06535	3.9
172.05199	11.0
173.05983	5.4
174.06833	2.1
175.03831	1.4
175.07614	3.4
179.07164	1.4
181.04970	100.0
187.07564	8.4
189.05530	3.4
189.07713	1.4
189.09123	8.8
190.06343	1.8
191.07065	1.4
191.10777	2.0
195.06593	2.1
200.04721	3.8
201.05461	6.7
203.07103	1.4
205.08676	4.8
206.05756	2.4
207.10196	10.0
217.08632	2.1
218.05727	8.1
219.10132	5.2
221.07974	7.2
229.01364	2.6
231.02818	1.9
231.06647	1.4
233.08099	61.0
235.07584	1.8
235.09709	2.3
244.11082	1.1
245.08012	2.7
247.02361	2.0
247.07585	1.7
251.09224	3.9
257.00806	7.3
263.06870	2.0
263.09207	9.4
264.07849	1.5
265.61102	1.3
275.01907	5.7
280.07251	1.3
285.00327	4.2
285.11575	1.3
287.12787	2.7
303.01437	48.4
303.04935	7.1
304.01593	1.9
307.09857	1.5
313.14615	1.6
339.12189	1.7
346.10660	1.5
355.11673	2.5
367.11868	2.6
371.15143	1.5
373.11987	1.8
381.13449	2.0
384.11942	1.3
387.14398	8.1
399.14401	4.8
417.15491	27.2
417.20886	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1653
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03949	2.3
55.01868	1.9
56.70909	1.3
65.03918	5.3
67.05495	5.9
69.03410	3.4
70.46847	3.1
71.01488	1.4
79.05491	7.5
81.03404	5.6
81.07040	4.7
82.04214	2.9
85.02895	4.6
91.05479	7.2
93.03413	1.9
93.07034	2.4
95.04956	6.0
95.08620	2.2
97.02861	1.8
97.06536	1.9
98.20894	1.4
103.05460	2.6
105.07021	5.5
107.04964	19.5
107.08589	3.3
109.10197	2.1
110.03664	3.9
115.05498	3.5
117.07001	5.1
119.08572	2.8
121.06527	2.4
121.10116	3.7
123.04432	4.0
124.05215	1.8
125.05985	4.0
127.03896	5.9
128.06241	2.0
129.06978	1.9
131.04903	1.9
131.08569	6.1
133.06505	2.9
133.10106	2.9
135.11742	2.2
137.05968	3.8
138.03098	2.3
142.02647	3.0
144.05722	3.8
145.06477	8.5
145.10167	2.2
147.11739	1.7
152.04739	1.7
153.05466	4.7
157.06471	2.5
157.10074	1.5
159.08049	5.4
159.11658	2.4
160.08858	1.6
161.05989	5.3
167.07050	48.6
169.10188	1.5
171.06514	3.4
171.11671	1.9
172.05231	10.2
173.06004	6.7
175.07620	2.1
177.09074	1.7
181.04967	100.0
183.06570	1.8
187.07581	8.7
189.05458	2.7
191.10664	3.2
195.06483	3.4
200.04727	3.7
201.05470	6.8
203.06998	2.1
205.08632	4.9
206.05565	2.2
217.08566	2.1
218.05724	7.8
219.10165	6.1
221.08061	6.2
231.06610	1.8
233.08098	59.4
235.07544	2.1
235.09709	2.4
245.08093	2.7
249.08890	1.8
251.09061	2.2
263.09250	9.8
291.06763	1.6
301.07196	2.4
303.01328	3.0
304.31015	1.7
307.09729	1.5
308.62811	1.5
352.09122	1.6
355.11761	5.4
357.13199	1.6
367.11816	2.7
373.12436	1.4
378.65894	1.7
381.13303	1.9
384.11984	1.8
387.14307	10.7
399.14313	5.7
400.17007	1.4
417.15488	26.4
435.28784	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	435.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94860	0.3
55.01864	1.2
55.05499	0.4
57.03205	0.3
57.03442	3.1
61.02926	0.5
69.03436	3.4
71.01350	0.9
71.04990	0.4
71.49047	0.4
71.79974	0.3
73.02921	2.3
79.05486	0.5
81.03406	0.5
81.08260	0.3
83.04969	0.7
85.02905	3.4
86.09695	0.6
87.04457	0.8
91.05484	0.5
93.07057	0.4
95.04927	0.3
97.02898	3.5
101.06044	0.4
103.05445	0.3
105.07040	3.5
106.07343	1.4
107.04963	0.5
109.94801	0.3
115.03946	2.8
117.07004	0.4
119.04907	0.4
119.08590	0.4
121.02851	0.7
123.04438	0.6
127.03930	0.4
133.04984	1.4
141.10245	0.6
147.04424	0.7
147.06546	0.4
151.03886	0.6
153.01804	0.4
157.66370	0.3
161.06010	1.0
161.09576	0.3
167.06995	0.6
173.02356	0.9
175.03865	0.7
181.01106	0.3
181.05022	0.5
184.07187	0.2
185.02428	0.3
189.09096	0.9
191.03439	0.6
201.01836	3.0
203.03429	0.6
207.10181	0.7
213.01912	1.0
216.36813	0.3
217.01407	0.6
219.02928	1.0
229.01376	3.5
231.02895	1.1
241.01321	1.0
247.02423	3.4
257.00827	10.7
259.02341	1.9
275.01877	10.2
282.18216	0.4
285.00339	9.4
298.07986	0.3
303.01367	100.0
304.01663	1.0
377.69901	0.3
435.05627	1.5
435.11868	0.4
435.22427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0925
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
50.34101	0.7
56.36074	0.7
56.89170	0.7
57.03439	6.3
61.02926	2.0
70.64700	0.9
70.65051	1.5
73.02927	13.6
87.35252	0.7
95.05041	0.9
115.03963	1.3
121.02843	1.4
129.80444	0.6
137.02356	5.1
153.01794	4.7
165.01889	2.4
179.99437	0.8
201.05473	1.6
229.04984	3.7
257.04529	3.0
285.03891	1.5
302.62207	0.8
303.05011	100.0
304.05316	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	435.1289
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.05496	0.7
67.05497	0.9
68.99771	1.0
69.03434	1.7
71.49903	1.2
73.02921	0.8
79.05500	1.9
80.52338	0.7
81.07099	0.9
85.02899	2.5
91.05483	2.9
95.04967	1.7
97.02904	0.8
105.03415	1.0
105.07040	1.5
107.04958	2.7
109.02921	0.8
117.07077	0.7
119.04958	9.4
119.08537	1.1
121.02852	1.2
121.06475	1.1
123.04446	3.4
127.03870	1.0
131.04932	0.9
137.02364	5.2
137.03300	0.7
147.04425	34.8
153.01840	65.1
161.06001	1.1
163.03992	1.2
167.07063	2.5
171.02928	1.7
181.04973	6.4
189.05484	1.0
200.04616	0.7
201.05510	0.9
207.06332	0.8
217.08627	0.7
233.08127	3.1
263.09055	0.9
265.17776	0.7
273.07590	100.0
274.07898	1.3
303.01807	1.2
303.04883	5.0
329.02322	0.9
361.62958	0.8
387.14526	0.9
417.15283	2.2
435.10831	2.8
435.22513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	9.9
59.49685	4.6
65.03947	4.7
67.05502	11.7
69.03431	13.0
69.07072	10.5
70.51180	3.4
71.05003	22.6
71.49538	5.3
79.05492	12.9
81.03416	8.2
81.07059	26.7
83.08620	10.2
85.02900	27.7
85.06582	4.7
91.05466	13.8
93.07037	34.4
95.04988	7.7
95.08620	42.5
97.06556	10.1
97.10172	6.1
105.07040	35.5
107.08593	36.8
109.06540	7.7
109.10166	13.3
119.08584	21.8
121.10139	17.5
123.07993	5.8
123.11701	15.4
125.09635	9.6
127.03941	9.4
131.08614	10.1
133.10143	38.8
143.10649	21.2
145.04967	5.2
145.10126	13.2
147.04430	10.1
147.11723	21.9
147.87775	4.2
149.13269	21.8
151.11205	8.4
157.10136	7.7
159.11681	15.5
161.13301	5.8
163.03941	6.5
167.07127	20.2
167.08456	4.4
167.14328	100.0
167.15630	7.7
172.05254	6.2
175.56573	4.6
181.04932	27.7
187.07599	9.3
197.13264	4.3
201.16342	8.1
203.08086	6.0
219.17406	25.9
231.35072	4.5
233.07997	5.6
237.18654	5.1
273.12372	22.6
288.05746	4.9
303.05093	8.9
316.77072	4.3
324.15164	4.2
348.99310	4.0
434.31274	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	435.0562
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
57.03436	1.7
61.02919	0.5
69.03438	1.9
69.71457	1.3
73.02924	3.8
79.05523	0.3
81.07081	0.2
81.32193	0.2
85.02930	0.2
88.62994	0.2
91.05492	0.4
97.02898	2.3
105.03368	0.3
107.04937	0.3
115.03926	1.9
121.02875	2.1
123.04446	0.4
130.91751	0.3
137.05960	0.3
143.34554	0.3
145.02867	0.3
147.04384	1.0
153.01848	0.9
163.03882	0.4
163.07645	0.3
173.02370	1.3
175.03903	0.8
179.03384	0.3
185.02315	0.4
189.08920	0.3
191.03391	0.7
201.01826	2.9
203.03395	1.0
207.02945	0.4
213.01843	0.7
217.01456	0.3
219.02911	0.6
229.01324	3.0
231.02919	1.4
241.01360	0.8
247.02396	3.4
257.00836	11.2
259.02444	1.3
275.01877	10.7
285.00320	9.3
303.01367	100.0
304.01749	1.0
435.05814	0.9
435.12567	0.3
458.55682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	13.0
69.07072	24.4
70.22082	47.7
71.04987	45.2
72.48321	12.1
79.05477	26.7
81.07061	50.1
85.02903	53.5
86.03226	11.6
91.05498	29.4
93.07042	26.1
95.08615	29.8
99.08100	21.2
105.07028	52.0
107.08582	39.9
109.10127	18.4
119.08589	44.0
121.10139	29.3
125.09615	31.3
131.08562	18.8
133.10138	100.0
143.10686	45.5
147.11703	26.3
149.13324	15.5
151.11172	12.2
153.01880	19.2
159.11685	28.6
167.07062	30.3
167.14316	46.2
181.05057	13.8
201.16373	24.5
219.17418	73.4
236.08179	13.1
284.49707	13.2
287.05505	29.9
288.05722	81.3
432.74570	12.1
434.31482	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	21.7
57.09325	4.2
59.04999	7.1
69.03092	8.0
69.03435	84.7
70.84322	6.1
70.84636	5.6
73.02901	6.3
81.03393	6.5
85.02443	7.5
85.02913	84.9
87.04474	53.5
87.73354	4.5
97.02314	5.4
97.02905	74.2
103.82227	3.9
106.02949	9.8
115.03197	5.7
115.03949	88.7
123.04423	9.5
123.66688	4.3
124.03963	23.2
125.10906	4.1
127.03896	19.3
127.04811	4.3
133.04976	100.0
143.44440	4.1
145.04959	16.2
150.07632	6.4
151.07460	6.1
160.17574	3.8
163.06021	5.2
236.16531	7.2
250.07172	6.1
259.08084	4.7
271.05997	4.2
272.06314	9.0
288.05981	23.6
343.48438	5.0
434.14734	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	433.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	40.5
57.07073	7.8
59.04756	5.0
59.05005	57.3
62.00465	3.6
63.81183	4.3
67.05519	21.1
69.07060	14.1
71.50536	6.1
79.05488	17.2
81.07067	21.5
83.04966	4.6
83.08633	5.3
85.06549	100.0
91.05484	39.1
93.07043	40.5
95.04951	4.8
95.08610	29.3
104.66143	4.2
105.07031	45.1
107.08607	29.4
109.06519	9.6
109.10178	23.9
111.08095	9.6
112.99996	5.5
115.05466	5.8
117.07021	17.6
119.08584	83.2
121.10152	23.1
122.07260	5.5
123.08073	11.4
123.11696	7.4
125.09631	22.2
129.07002	14.5
131.08554	24.2
133.10124	25.3
135.08066	5.8
135.11717	7.1
137.09630	23.6
141.07001	8.6
142.07808	12.0
143.08589	24.4
144.09325	4.8
145.10129	34.1
147.08046	6.4
147.11626	10.3
149.09666	11.3
151.11211	40.1
155.08543	11.5
156.09338	10.5
157.10124	32.7
159.11725	15.0
161.09674	7.3
163.11261	11.9
169.02690	5.4
169.10147	14.0
170.10883	5.1
171.11682	19.1
173.13326	7.7
175.11198	7.5
179.08519	8.6
180.38617	4.8
181.10089	8.0
183.11664	16.5
185.13341	7.4
187.14836	6.0
189.12703	7.8
193.10162	8.3
194.10915	8.4
195.11772	12.0
197.13303	10.1
203.14403	4.5
207.11740	6.3
209.13191	10.6
211.14775	8.0
221.13177	8.7
223.14842	6.9
235.14793	5.4
253.06978	4.8
258.28848	4.8
261.16202	6.9
263.29929	5.0
277.95663	4.7
430.90750	4.7
433.19662	5.3
433.31049	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	433.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.2
57.07079	2.3
58.24546	1.4
59.86821	1.4
67.05508	5.0
69.07078	8.4
69.32570	4.5
69.32996	6.9
79.00266	1.4
79.05495	7.6
81.07069	12.0
83.08628	4.2
90.83331	1.4
91.05486	11.2
92.66238	1.2
93.07059	11.0
95.04983	1.4
95.08611	15.5
98.20798	2.8
105.07047	21.3
107.08596	18.5
109.10175	8.8
117.07018	5.6
119.08592	35.2
121.10149	17.5
121.38936	1.2
123.11726	4.9
128.06233	2.8
129.07037	3.3
131.08582	18.1
133.10135	32.9
135.11705	14.8
137.13353	1.7
141.07079	1.5
142.07840	2.6
143.08566	7.6
145.10143	26.8
145.11186	2.6
147.11708	31.1
149.13277	11.0
155.08577	4.1
156.09416	3.8
157.10144	14.7
158.10910	3.9
159.11729	18.0
161.13280	15.8
163.14771	3.7
169.10124	8.4
170.10997	3.1
171.11713	14.3
172.12509	1.9
173.13275	23.4
175.14851	16.4
177.16415	2.0
181.10114	2.1
182.10983	2.6
183.11746	5.6
184.12460	4.9
185.13297	13.6
186.14000	1.7
187.14859	23.3
189.16434	4.1
195.11702	4.5
197.13249	8.9
199.14857	19.7
201.16422	14.5
203.17929	2.4
206.10934	1.8
207.11771	2.3
207.13939	1.8
209.13339	4.4
211.14807	6.9
212.15666	2.2
213.12949	1.6
213.16371	16.4
215.18063	4.1
217.12233	1.6
223.14932	4.5
225.16490	4.9
227.18025	4.6
233.15216	1.5
235.15047	1.6
237.16460	3.3
239.17941	6.8
241.19617	3.4
245.15483	2.0
247.14809	1.8
249.16534	1.4
251.18019	3.9
253.19583	5.1
257.15485	2.2
259.17056	4.4
265.19647	4.9
267.21121	2.1
271.17151	2.4
277.19452	2.5
279.21097	2.0
283.16949	3.9
285.18549	2.9
291.21124	1.6
297.18570	3.0
311.20132	4.8
317.22647	2.9
325.21564	2.2
331.24304	3.3
349.21744	1.6
363.23267	1.8
377.24872	3.3
387.30444	15.1
389.32101	3.2
433.31122	100.0
434.31219	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3104
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
55.05505	3.1
57.07066	1.2
67.05518	4.6
69.07069	5.1
70.67662	1.0
70.67992	1.9
71.58448	0.7
79.05496	2.8
81.07058	8.0
83.08627	2.9
91.05471	4.4
93.07051	5.9
95.08618	8.7
105.06325	1.0
105.07037	16.2
107.08596	8.5
109.10158	2.6
111.39866	0.8
117.07018	2.2
119.08588	23.6
120.08884	1.0
121.10168	7.3
122.98856	0.9
123.11677	1.6
128.06181	0.8
129.07001	1.9
131.08578	8.0
133.10149	13.2
135.11722	2.3
137.13223	1.1
137.51340	0.9
142.07793	1.4
143.08551	4.3
144.09409	1.1
145.10126	6.2
147.11697	6.3
149.13289	1.2
151.83392	0.9
155.08609	1.9
156.09352	1.4
157.10143	6.4
158.10962	0.9
159.11682	6.1
161.13255	10.7
163.14922	1.2
167.08586	1.3
169.10147	3.2
171.11696	5.5
173.13287	13.3
175.13315	1.8
175.14838	27.6
177.16451	1.2
181.10097	0.8
182.11011	1.0
183.11720	3.3
184.12419	0.8
185.13272	3.7
187.14859	9.1
189.16461	5.7
193.15924	1.2
195.11711	2.6
196.12517	1.5
197.13315	3.9
199.14836	4.0
201.16438	3.7
203.17906	1.0
209.13344	3.2
210.14081	1.5
211.14821	4.2
212.15709	1.1
213.16412	9.2
215.17969	1.9
219.13789	2.0
221.13419	1.3
221.15457	1.8
223.14810	1.9
225.16446	5.0
227.17957	1.7
231.17455	1.3
233.13272	1.2
235.14906	1.4
237.16281	1.9
239.18027	4.9
247.14864	1.3
249.16376	1.0
251.17891	1.7
257.15350	2.0
259.17178	1.6
261.16473	1.6
263.17969	2.2
265.19421	1.8
275.18051	1.7
277.19510	1.0
287.17899	1.0
289.19577	1.4
291.21152	1.9
303.20990	1.4
311.19983	0.9
317.22629	2.1
319.24271	1.4
331.24173	4.2
345.25668	1.5
349.21512	2.0
357.25510	1.5
363.23019	1.7
364.24161	1.0
365.24652	1.5
373.28873	2.0
377.24814	3.3
387.30499	14.1
388.30859	1.6
389.32007	1.6
405.31473	2.3
415.30081	1.2
418.28848	1.1
433.31070	100.0
434.31418	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3105
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
50.66220	1.4
52.29695	1.2
53.03935	1.5
55.05502	6.9
57.07069	3.5
59.89114	1.5
63.67080	1.3
67.05509	7.6
69.07071	6.6
70.88554	2.3
70.88876	2.0
77.03952	1.6
79.05509	9.5
81.07058	12.7
81.08891	1.5
83.08609	5.1
91.05486	13.0
93.07046	13.5
95.08619	17.1
105.07033	25.5
107.08600	24.0
109.10152	13.2
117.07030	5.3
119.08587	46.0
121.10155	24.2
123.11720	7.8
128.06311	1.8
129.07014	4.9
130.07799	2.4
131.08565	22.7
133.10126	38.6
135.11687	16.7
137.13271	3.3
141.06996	2.7
142.07802	3.8
143.08591	11.4
144.09358	2.5
145.10124	41.0
147.11687	29.0
149.13275	8.7
153.09094	3.2
155.08559	4.8
156.09366	6.6
157.10127	15.6
158.10939	3.6
159.11697	28.8
161.09633	1.8
161.13263	14.5
163.07567	3.0
163.14819	2.9
169.10121	9.8
170.10986	4.5
171.11694	18.1
172.12439	2.9
173.13264	32.4
175.14838	20.4
177.16451	2.0
181.10156	2.3
182.10971	2.7
183.11674	11.3
184.12494	4.6
185.13235	11.6
186.13866	1.9
187.14842	32.4
189.16415	9.8
193.10014	2.1
195.11729	5.7
195.35521	1.6
196.12566	3.4
197.13249	8.9
199.14844	24.8
201.16396	18.8
203.18031	3.2
204.39879	1.5
205.15988	1.6
207.11707	2.6
209.13370	5.0
211.14813	8.5
213.12959	2.2
213.16377	17.4
215.18013	6.0
221.13274	3.1
223.14818	5.8
224.15755	1.9
225.16388	4.8
227.17921	5.4
235.14746	2.2
237.16525	4.1
239.17938	9.0
239.31197	1.6
241.19518	3.7
245.15474	4.2
247.14763	2.1
249.16389	2.3
251.17982	4.7
253.19562	5.0
259.17038	3.4
263.17798	1.9
265.19534	6.5
267.21133	2.9
271.16974	3.1
277.19266	2.5
279.21060	2.7
281.22684	2.6
285.18497	2.5
297.18542	3.4
299.20297	1.9
311.20071	4.4
331.24335	1.9
351.23343	1.8
363.23264	2.4
377.24460	2.1
387.30301	13.5
389.31989	3.0
405.31769	3.4
415.30225	2.9
433.31082	100.0
434.31421	3.2
451.32080	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	433.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05520	8.5
57.07070	1.5
65.03911	1.3
67.05513	5.8
69.07081	6.4
69.32707	2.7
69.33117	9.0
76.03114	1.2
79.05511	7.4
81.07069	11.2
83.08620	4.1
83.39954	1.2
91.05479	9.6
93.07044	12.5
95.04946	1.6
95.08614	16.4
97.10179	1.2
99.08139	1.1
103.05414	1.2
105.07040	21.0
107.08597	23.6
107.56359	1.1
108.03916	1.1
109.06470	1.7
109.10150	8.7
115.05403	1.6
117.07008	4.5
119.08591	45.2
121.10159	13.4
123.11742	3.2
128.06198	2.6
129.06987	3.5
130.07790	1.4
131.08566	15.0
133.10135	22.4
135.08051	2.4
135.11716	4.8
141.07031	1.8
142.07759	7.5
143.08577	9.9
144.09343	2.4
145.10135	24.9
145.11290	1.5
147.11699	13.9
149.13235	2.7
151.07545	2.9
153.09076	1.7
154.07684	1.3
155.08551	6.4
156.09331	8.4
157.10126	21.3
158.10947	3.7
159.11707	18.3
161.13260	15.8
163.07541	3.3
163.14822	2.5
167.08563	1.4
169.10129	6.6
170.10881	11.6
171.11703	24.5
172.12440	2.3
173.09630	1.4
173.13269	20.7
175.11339	1.3
175.14821	25.5
177.12782	1.4
177.16411	7.1
181.10136	2.7
182.10872	1.9
183.11720	8.2
184.12450	6.4
185.13269	24.6
187.14830	27.2
189.16376	6.6
195.11717	2.6
196.12476	2.6
197.13199	9.8
198.14127	2.0
199.14839	34.8
201.16391	19.8
203.17993	1.4
205.15901	5.5
207.11845	1.6
209.13275	2.3
211.14828	10.3
213.16377	24.4
215.14354	1.4
215.17926	3.1
221.15363	2.6
223.14738	3.0
225.16432	4.7
227.17982	5.9
229.15895	2.0
233.15369	2.5
235.14767	1.4
237.16454	2.9
239.17831	2.0
247.17009	2.2
251.17879	1.8
253.19470	2.0
257.08032	1.2
259.16928	1.7
265.19455	2.2
387.30704	7.1
389.32028	2.8
405.31680	1.8
415.30170	4.8
427.15091	1.4
433.31091	100.0
434.31516	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
52.29772	0.7
55.05513	5.9
57.07067	0.9
65.03952	0.8
67.05506	7.7
69.07082	6.4
71.80836	0.7
79.05495	6.1
81.07059	11.5
83.08624	2.5
85.06567	1.0
91.05486	10.7
93.07056	14.4
95.04982	1.4
95.08611	20.0
97.10170	1.3
105.07037	18.9
107.08601	28.6
108.03230	0.8
109.10152	9.9
115.05483	0.9
117.07034	3.2
119.08592	24.0
121.10160	9.7
123.11709	3.5
126.07210	0.8
128.06252	3.0
129.07021	5.4
130.07799	1.4
131.08577	14.2
133.06500	0.8
133.10139	21.8
135.11713	4.9
137.13257	1.1
141.06978	1.6
142.07777	2.6
143.08565	10.8
144.09326	1.8
145.10132	16.7
146.10788	0.8
147.08066	0.9
147.11702	9.5
149.13251	3.4
155.08577	4.2
156.09415	4.8
157.10141	13.1
158.10909	1.6
159.11722	16.0
161.13286	9.4
163.14832	3.1
165.07085	1.0
167.08556	1.2
169.10101	6.2
170.10921	2.7
171.11707	15.3
172.12428	1.3
173.13271	14.4
175.14833	9.6
177.16472	1.5
180.09346	1.1
181.10132	3.2
182.10905	1.7
183.10240	1.0
183.11717	6.4
184.12508	2.2
185.09656	1.0
185.13287	6.3
187.14830	11.9
189.16357	5.5
191.17888	1.0
193.10165	1.4
195.11703	4.6
196.12439	1.3
197.13274	10.3
198.14224	1.7
199.11246	2.2
199.14830	18.6
201.12724	2.1
201.16411	11.8
203.14305	0.8
203.17969	2.2
207.11699	1.4
209.13315	4.8
211.14822	7.8
213.12869	4.9
213.16403	12.1
215.14224	2.0
215.18011	3.2
217.12309	1.7
217.15901	0.9
219.11723	1.2
220.12526	1.1
221.13261	1.9
221.52805	0.8
223.14899	3.4
225.16396	4.9
227.18037	3.5
229.15996	1.1
231.17415	0.8
234.14151	1.0
235.14804	1.6
237.16431	3.3
239.17990	3.7
241.15846	1.1
241.19522	1.4
245.15475	2.0
247.14862	1.7
249.16418	1.3
251.17963	2.7
253.19556	2.5
257.15399	1.3
259.17004	1.9
261.16464	1.3
263.17969	3.2
265.19562	1.9
267.13654	0.9
267.21121	1.5
269.19199	0.9
275.17920	1.4
277.19574	2.2
279.21198	2.7
281.22748	1.4
285.18387	1.2
291.21161	3.1
293.22638	1.8
297.18506	1.0
303.21045	1.5
311.23648	0.8
317.22778	2.3
319.24481	1.1
323.20178	1.4
325.21707	1.7
331.24268	2.8
337.21732	1.0
339.23279	1.6
345.25699	2.2
349.21570	1.4
351.23340	1.2
363.23340	1.2
372.28146	1.2
377.24707	1.5
387.30472	19.4
389.32129	2.1
391.26227	1.3
405.31693	5.2
415.29898	3.0
433.31079	100.0
434.31305	3.9
440.61743	0.9
444.32602	0.8
451.32147	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	433.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01877	8.2
55.05272	2.7
55.05515	31.4
57.03424	6.3
67.05508	33.8
69.03424	6.2
69.07069	16.5
69.31460	15.4
71.04979	4.6
79.05498	50.7
81.03410	8.6
81.07063	34.4
83.04973	6.5
83.08610	14.0
85.02864	2.5
85.06547	3.3
86.72198	1.5
91.05486	40.5
93.07045	29.7
95.04974	33.8
95.08617	15.3
97.06523	5.1
97.10162	22.5
98.21531	4.1
99.08076	2.3
103.05443	3.6
105.07040	29.6
107.04972	14.1
107.08596	22.2
109.06499	7.6
109.10143	9.6
111.08052	4.1
115.05453	4.6
116.06210	2.0
117.07022	15.6
119.04946	3.4
119.08595	16.2
121.02829	1.9
121.06493	18.1
121.10154	19.3
123.08047	8.0
125.09624	17.0
128.06218	5.3
129.05461	3.3
129.06981	22.4
131.04936	13.4
131.08589	25.7
133.06487	7.8
133.10161	10.9
135.04434	2.3
135.05414	2.2
135.08043	8.0
135.11694	5.2
136.39716	1.7
137.05948	2.6
137.09563	3.6
141.06981	8.0
143.08568	12.7
145.06493	22.0
145.10135	18.1
147.08081	9.7
147.11707	5.5
149.09621	19.7
151.11168	1.8
153.06975	2.9
153.09053	3.4
154.07782	2.2
155.08557	8.6
157.06477	5.1
157.10123	8.0
157.48984	1.6
159.08076	10.2
159.11731	10.8
161.09627	5.3
161.13206	4.0
163.11172	3.6
165.06941	1.8
167.08516	2.9
169.10135	14.4
170.10977	1.8
171.08031	5.5
171.11682	18.5
173.09651	8.2
173.13220	2.9
175.11136	3.8
177.12737	2.9
179.08586	2.7
181.10179	4.6
183.08156	2.7
183.11737	5.4
185.09654	5.4
185.13255	8.0
187.11205	10.9
189.09158	3.9
189.11185	9.3
189.12756	12.1
195.11665	2.8
197.09645	3.5
197.13269	6.1
199.11206	5.5
199.14803	3.4
201.12772	3.9
201.16422	2.1
203.10677	2.9
205.12227	6.4
207.11754	3.4
211.11192	6.6
213.12646	3.9
213.16199	2.0
215.10666	4.2
215.14221	2.0
217.12224	2.9
219.13652	2.5
221.13335	2.1
223.11156	1.8
223.13277	4.7
225.12779	2.9
225.16431	1.8
227.12662	3.7
229.12213	5.5
231.13792	3.7
239.14244	3.3
243.13760	5.4
249.14886	3.0
257.15366	5.6
267.15723	3.4
273.14810	2.2
275.16382	1.9
295.20444	4.3
313.21582	6.8
323.20093	24.7
331.22601	2.5
335.18372	2.1
341.21118	100.0
342.21307	3.6
359.22141	10.5
377.23080	2.1
397.23792	2.9
415.24728	40.3
433.25809	70.4
433.30569	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	433.1497
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03931	2.8
55.01863	1.9
55.05499	1.2
57.03427	1.2
65.03943	7.8
67.05502	5.1
69.03417	2.9
70.88107	1.4
71.04982	2.3
75.23259	0.6
79.05503	8.8
81.03399	1.5
81.07066	3.2
82.04219	3.1
83.04990	0.6
85.02916	6.9
86.66549	0.6
91.05467	2.5
93.03404	2.7
93.07039	2.0
94.04196	0.7
94.36969	0.8
95.04984	5.0
95.08598	2.0
97.02884	1.9
97.06530	3.3
103.05452	1.6
105.04512	1.0
105.07047	8.3
105.50244	0.6
107.04962	15.8
107.08620	1.5
108.02086	1.0
109.02896	1.1
109.06444	0.6
109.10130	1.9
110.03668	4.5
111.04424	1.4
115.05453	2.0
117.07030	1.3
119.08607	2.0
121.02844	1.5
121.06520	1.0
121.10132	1.0
123.04430	5.9
124.05195	2.7
125.05984	2.9
127.03938	0.7
129.07092	0.6
131.04927	1.4
131.08574	0.6
133.06503	8.7
133.10103	1.7
137.05963	2.3
138.03091	2.1
139.03929	1.1
140.04718	1.6
142.02631	3.0
143.04958	0.7
144.05652	0.7
145.06464	1.0
147.04393	0.6
151.03973	0.9
152.04716	1.3
153.05518	3.3
155.07051	1.7
161.05991	11.8
161.13260	0.8
163.03900	0.7
167.07056	21.2
171.06528	3.4
173.05963	0.7
179.14340	0.6
181.04965	100.0
182.05319	1.2
183.06500	3.3
189.05522	2.0
191.07013	1.2
193.08617	12.8
205.08658	1.2
206.05840	1.6
207.06511	2.7
213.05531	0.8
221.08110	32.3
221.15311	0.8
233.08005	3.4
249.07603	14.9
253.04933	1.0
269.04840	0.6
271.19040	1.4
279.08813	0.6
285.07587	3.9
287.05511	8.0
288.05789	0.9
289.06061	0.9
297.11295	0.6
341.10120	0.8
341.21109	1.4
353.09921	0.9
357.13266	1.3
358.10876	0.9
372.11783	0.9
403.13919	52.3
404.14087	1.9
415.13867	2.1
433.09335	1.5
433.15323	2.2
433.31100	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
65.03940	0.3
68.99794	0.4
69.03426	0.3
69.83512	0.5
69.83918	0.8
70.45770	0.2
72.08151	0.2
85.02893	0.3
101.47990	0.2
107.04964	0.3
121.02878	3.1
131.04919	0.3
141.06985	0.6
145.06467	0.6
149.02342	0.5
169.06551	1.0
173.06027	0.5
181.06366	0.2
187.03900	0.4
187.07513	0.5
197.05975	1.1
215.07086	0.8
225.05385	0.4
226.06335	0.4
243.06552	0.4
253.05013	0.3
271.06030	100.0
272.06281	1.5
287.05447	1.6
413.27457	0.2
433.11536	1.1
433.16611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1489
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
51.37560	1.3
53.03949	3.0
53.25017	1.2
55.01878	37.5
55.05498	1.4
55.63358	1.3
55.72293	1.2
56.79401	1.3
57.03422	1.5
61.49084	1.2
65.03953	6.3
65.52513	1.2
67.05506	4.7
69.03426	3.6
69.41726	10.9
72.08129	2.3
78.04720	3.0
79.05502	8.7
81.03417	1.8
81.07059	2.7
83.26781	1.3
84.08144	2.3
84.16472	1.3
85.02925	6.2
86.09710	1.6
91.05482	6.9
93.03400	1.6
93.07047	2.6
95.04975	5.7
97.02892	4.6
97.06536	2.8
103.05470	5.9
105.03388	2.5
105.07032	15.7
106.04147	1.5
107.04972	15.4
107.08617	2.4
109.10165	2.5
110.03696	2.8
115.05463	7.3
117.03400	2.0
117.07010	4.9
119.04928	3.8
119.08595	1.7
121.02855	2.8
121.06524	5.5
123.04443	12.1
123.23890	1.2
124.05232	3.5
125.05998	2.4
127.03919	1.5
131.04974	8.0
133.06506	14.4
135.04440	2.4
135.08041	2.3
137.05962	14.7
138.03172	2.0
138.06255	1.3
139.03973	2.1
140.04681	1.7
142.02573	1.8
143.04964	1.7
145.02940	1.7
145.06541	9.0
146.03658	1.6
147.04449	6.7
149.05995	4.4
151.03860	2.4
153.01828	1.6
153.05531	2.6
155.07022	3.6
159.04436	4.0
161.05997	18.3
163.03949	5.5
163.07559	5.6
167.07048	100.0
167.14366	1.6
169.13936	1.4
169.46159	1.5
170.83519	1.3
171.06624	1.7
172.05162	1.7
173.06030	9.8
175.03906	3.2
177.05478	13.0
177.06961	2.2
178.05873	2.2
179.03427	1.4
179.07094	5.1
181.04970	69.5
183.06509	2.8
187.07521	1.9
189.05464	12.5
191.07043	15.0
191.08604	1.8
193.04982	1.7
193.08690	4.3
194.05789	3.1
201.05496	2.9
205.08655	4.6
206.05756	1.4
207.06554	7.2
208.07272	2.6
209.08026	8.1
215.07069	2.1
218.05672	1.7
219.04449	1.5
219.06532	5.7
221.08104	3.6
223.05957	1.7
223.09668	7.9
233.08116	7.2
234.06708	1.7
241.08582	1.9
245.63243	1.4
249.07489	7.3
251.06743	2.0
251.09192	38.8
261.07626	1.7
271.06009	14.7
277.08554	2.0
287.05637	1.7
295.09674	1.7
309.11337	3.0
319.11874	8.9
348.38571	1.5
401.13928	2.5
403.13889	9.4
433.15112	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03424	3.5
69.76824	3.6
69.77237	1.8
71.04994	28.1
85.02911	23.5
121.02865	2.7
129.05498	4.9
147.04478	1.0
153.01790	3.9
165.01823	1.7
189.87195	0.9
213.05498	1.0
231.06523	1.5
269.04535	0.9
276.18274	1.1
287.05518	100.0
299.05569	2.0
329.06534	2.5
379.08051	1.0
397.08984	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.6
69.83389	0.6
69.83704	3.7
71.04998	16.8
75.04484	1.1
85.02908	17.7
92.61842	0.6
94.28457	0.6
96.20689	0.6
98.20934	0.8
101.90714	0.6
105.03399	1.0
114.32805	0.7
116.29842	0.6
121.02851	2.1
125.56258	0.6
129.05499	3.2
137.02376	0.9
153.01828	4.0
153.51100	0.6
165.01863	2.3
202.84517	0.7
213.05530	0.8
241.04883	0.8
258.05255	1.2
287.05521	100.0
288.05777	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54271	3.6
55.05516	8.1
57.03441	21.7
57.07067	4.3
60.15664	3.7
65.63559	4.0
67.05513	31.1
69.07060	11.2
71.04991	6.1
71.50137	4.9
79.05506	27.3
81.07063	44.8
83.08614	7.6
85.06534	10.1
91.05485	12.0
93.07057	24.9
95.08629	42.6
97.06529	7.3
97.10213	4.5
99.08102	4.8
105.07033	13.6
107.08616	22.1
109.06546	4.6
109.10169	25.4
117.07041	4.0
119.08578	20.1
121.10162	29.3
123.11687	9.7
125.09580	5.8
131.08598	4.3
133.10150	21.5
135.11697	17.7
137.09630	4.5
145.10135	15.4
147.11668	17.4
149.13278	7.9
157.48070	4.0
159.11659	9.7
161.13309	9.0
175.14818	12.1
176.94843	4.1
187.14845	12.3
190.40906	4.4
231.21069	9.0
234.43524	4.4
241.19441	7.5
244.44115	3.9
249.22121	12.3
277.21667	67.7
295.19800	5.7
295.22751	100.0
296.23029	4.0
298.59274	3.7
337.23712	13.3
419.78720	4.8
432.35587	49.3
433.31104	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	432.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70372	3.2
56.96556	14.0
65.21700	3.5
69.03427	11.4
69.54876	19.4
70.06570	6.9
72.08148	5.8
72.28218	3.8
72.93755	3.5
81.03407	5.0
84.08125	6.6
85.02892	17.6
86.09711	5.5
88.11275	8.1
97.02901	12.7
98.21629	3.7
98.97591	18.3
98.98473	8.4
103.05489	8.5
109.02875	4.7
109.61166	3.8
110.97569	9.3
116.98624	4.4
119.04922	5.8
120.07275	5.5
120.08120	100.0
123.04412	4.1
127.03893	8.1
128.98650	6.7
131.04929	8.9
135.04416	6.9
137.06006	8.8
139.03847	3.8
147.04391	16.8
153.01886	20.2
163.03889	9.2
166.08652	44.8
177.00710	4.8
195.16594	3.4
200.90442	3.8
219.01761	6.7
237.02817	10.6
239.00206	3.6
252.16141	5.5
277.03595	5.3
281.10208	5.4
303.01505	26.6
353.45050	4.0
376.98367	4.9
384.04538	7.0
394.99268	7.1
418.99347	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	432.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.69500	0.6
57.03443	0.7
65.03946	1.1
69.03431	3.5
71.49116	0.8
71.49501	0.8
78.03455	7.0
80.05016	0.7
81.03417	6.3
85.02907	2.0
85.46775	0.5
91.05481	9.5
95.04957	1.2
96.04482	1.2
97.02914	1.4
99.04474	0.9
106.02917	19.3
109.02865	1.9
112.54092	0.6
119.04942	22.0
121.06510	9.1
123.04425	5.1
124.03962	33.8
127.03912	2.4
137.02361	0.7
145.02792	1.3
147.04414	100.0
165.05499	1.6
166.05032	1.5
177.05530	3.0
184.92462	0.5
207.35962	0.5
222.06853	0.6
250.07098	7.5
268.08185	20.0
316.05298	1.2
414.11563	2.4
432.13150	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3523
Annotation	Stylisterol C
Peak:m/z	Relative Intensity
53.03955	3.0
55.05515	8.1
57.02543	1.5
57.03444	2.1
57.07082	3.6
59.44920	1.4
67.05517	12.1
69.03432	2.1
69.06715	1.2
69.07071	10.9
71.00115	3.4
71.05000	4.9
79.05502	7.4
81.07069	24.7
83.05039	1.6
83.08624	5.1
85.06544	3.0
86.13770	1.5
91.05489	13.9
93.07051	24.3
95.08614	33.6
96.20883	1.5
97.06554	4.6
97.10174	4.1
99.08103	3.4
105.07039	23.1
105.46147	1.5
107.08606	34.0
108.04472	1.6
109.10159	19.3
110.44701	1.6
111.08096	3.6
113.00040	2.4
115.07587	5.9
117.07040	2.2
119.08588	39.4
119.09385	2.8
121.10160	23.2
123.08067	3.9
123.11720	12.5
125.09640	4.5
129.06998	1.3
131.08597	11.1
133.10146	45.0
135.11708	24.8
137.09598	2.1
137.13290	4.2
139.11194	2.5
141.32686	1.4
143.08624	2.2
145.10129	21.8
147.11705	50.6
149.13268	12.8
151.11234	4.1
152.61006	1.5
157.10197	4.9
159.11694	21.2
161.13260	18.8
163.14816	9.7
165.12778	3.3
169.02658	2.2
171.11674	4.3
173.13260	18.2
173.14563	2.0
175.14816	15.4
177.16420	3.7
179.14369	2.4
185.13257	2.9
186.14191	1.7
187.14822	16.0
189.12741	4.1
189.16397	20.6
191.14365	2.7
191.17964	7.3
193.12390	2.0
193.15753	1.9
198.43376	1.7
199.14862	3.9
201.16422	9.7
203.17982	28.0
205.15938	6.7
207.17448	26.8
209.15385	2.4
213.16441	2.2
215.14314	1.7
215.17966	10.6
221.19067	6.4
227.18007	2.6
229.19557	5.0
233.19067	2.1
239.18021	2.2
281.22739	1.6
377.32050	3.8
395.33231	23.3
413.34344	13.8
431.30972	3.7
431.35306	100.0
432.35623	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.4
57.03440	1.2
57.07078	21.8
59.00787	0.9
62.88614	0.9
67.05487	4.6
69.07064	10.3
69.80090	2.2
69.80502	2.8
71.08629	15.5
71.40221	0.9
78.04721	0.9
79.05482	1.7
81.07056	10.3
83.05000	3.1
83.08642	5.4
85.10174	7.5
89.63051	0.9
91.05479	2.3
93.07061	6.2
95.08593	8.8
97.10172	4.7
105.07019	2.3
107.08594	1.0
109.06520	4.1
109.10165	5.3
111.11703	2.3
119.08584	1.8
121.06502	2.6
122.71022	0.9
123.08057	3.9
123.11671	1.4
124.78129	1.0
125.13213	1.2
131.08592	2.5
133.06516	2.0
135.08051	1.4
137.05981	14.2
139.03944	1.2
139.07571	5.5
143.08557	1.9
147.08054	3.3
149.05984	4.4
149.09654	1.6
151.07541	34.1
157.10139	1.6
159.08063	3.9
161.06033	3.3
161.09686	2.5
165.05482	8.3
165.09123	11.8
167.07037	100.0
168.07396	1.1
171.11749	1.4
175.05124	0.9
175.07550	5.6
175.11189	2.2
177.09160	4.5
179.07033	5.2
179.10672	4.2
181.08548	5.2
188.08237	1.8
189.09135	9.4
189.12845	1.2
191.07014	1.5
191.10741	2.6
192.07787	1.6
193.08624	8.6
193.12413	1.1
202.09859	1.0
203.10660	6.1
205.12357	1.5
207.10153	13.2
209.11848	1.2
217.12305	3.7
221.11736	5.5
231.13860	2.5
235.13231	2.9
249.14830	1.4
305.21152	1.6
385.34323	1.2
403.35843	2.4
413.34213	4.5
431.35239	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.316
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
55.01860	4.0
55.05510	7.2
67.05513	16.6
68.41396	3.0
69.07059	12.7
70.61908	4.4
70.62238	7.3
71.04991	7.5
73.24699	2.9
79.05501	30.7
81.07070	28.1
83.04969	7.9
83.06625	3.2
91.05476	21.7
92.34464	3.4
93.07055	41.1
95.08617	28.1
97.06483	3.7
99.04468	17.3
99.08134	3.3
100.04813	6.1
105.06344	4.0
105.07034	68.2
107.08607	52.8
108.20346	2.9
109.10175	34.9
111.08077	5.9
112.07056	3.1
117.07020	6.9
119.08590	62.9
121.06496	5.3
121.10146	26.0
121.14748	3.2
123.08063	3.9
123.11697	10.1
129.06958	6.0
131.08560	40.4
131.80939	3.8
133.06477	16.8
133.10130	50.6
135.08072	33.4
135.11688	13.7
137.09636	16.2
137.13264	5.8
137.68974	3.3
139.11148	4.1
142.07768	3.1
143.08548	20.4
145.10136	41.7
147.08063	5.5
147.11696	32.3
149.09634	35.4
149.13275	9.1
151.11215	19.2
153.92789	3.6
157.10146	15.6
159.11690	30.7
161.13239	14.7
163.11174	9.7
163.14827	9.3
165.12801	5.8
169.10141	9.5
170.10938	3.8
171.11629	16.1
173.13264	12.4
175.11182	32.1
175.14862	7.0
177.12737	8.6
177.16422	7.6
183.11737	4.6
185.13277	14.2
187.14873	26.5
189.12769	9.3
189.16364	8.0
191.14371	11.0
193.12256	17.3
193.15930	3.4
197.13235	8.3
199.14838	7.9
201.16434	6.6
203.14294	6.0
205.15892	27.3
207.13814	8.9
207.17468	3.7
209.13405	5.1
211.14743	7.8
213.16306	4.9
215.14241	3.6
215.18008	4.2
223.14919	6.2
223.16928	33.5
225.16360	5.6
229.15796	6.0
237.16315	4.6
243.17358	7.0
283.20807	5.3
319.24170	5.1
337.25436	6.7
365.28369	5.0
373.27386	72.4
374.28000	4.9
377.28433	22.4
395.29596	40.1
405.90662	3.2
413.30588	43.2
431.31647	100.0
432.31998	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	431.316
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
53.03946	1.8
55.05515	6.7
57.07069	2.7
64.70905	1.2
65.03944	2.4
67.05511	8.7
69.07078	8.4
71.05009	2.4
71.50698	2.0
79.05495	13.0
81.07056	21.1
83.04990	4.4
83.08617	4.5
85.06541	5.2
91.05472	14.8
93.07052	19.0
95.05000	1.8
95.08606	16.4
97.06548	3.2
97.10156	1.8
99.08107	2.3
105.06319	2.4
105.07033	50.7
107.04963	2.1
107.08598	68.7
109.06531	7.5
109.10160	24.8
109.10855	2.1
111.08109	1.8
115.05444	1.3
117.07047	3.7
119.04978	5.5
119.08590	28.1
121.06503	2.6
121.10151	23.3
121.11025	1.2
123.08046	7.2
123.11712	7.6
125.06005	3.0
125.09609	1.8
129.07028	1.5
130.07744	1.7
131.08563	10.9
133.06505	8.6
133.10130	33.1
133.11116	2.2
135.08067	9.6
135.11711	6.5
137.05983	1.8
137.09612	3.5
137.13269	1.6
139.07568	1.4
143.08627	2.8
145.10132	33.2
147.08057	5.7
147.10536	2.3
147.11697	42.7
147.55960	1.1
149.09666	7.1
149.13249	10.9
151.07590	5.8
151.11205	2.7
155.08493	1.3
157.10123	6.2
158.10922	1.9
159.08037	1.6
159.11702	10.7
161.09601	2.1
161.13266	7.2
163.11191	6.1
163.14821	11.5
165.12743	18.0
169.10150	1.7
171.11734	3.9
172.12418	1.7
173.09608	1.3
173.13309	4.2
175.11201	21.1
175.14861	7.8
177.12816	1.8
177.16391	12.7
179.14297	1.2
183.11717	2.0
185.13330	4.0
187.11281	1.4
187.14839	47.4
188.15269	1.4
189.12828	4.8
189.16409	2.5
191.14305	3.1
193.10474	2.3
193.12251	47.6
194.12645	1.8
197.13420	1.7
199.14906	2.3
201.12741	1.4
201.16411	2.7
203.14284	2.6
205.15892	52.0
207.13934	1.6
209.13290	1.5
211.15005	1.7
215.14404	1.7
217.15848	1.6
223.14954	1.8
223.16940	46.1
224.17334	1.4
229.15929	3.2
243.17461	1.4
249.16512	1.2
263.20288	1.3
319.24344	1.7
373.27390	18.3
377.28433	4.5
378.50583	1.4
387.28961	1.2
395.29330	6.7
413.30554	15.3
431.31625	100.0
432.32077	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	431.316
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
55.05503	8.5
67.05515	15.5
69.03422	4.2
69.07080	12.9
70.20924	4.7
71.04984	6.1
79.05501	21.9
81.07063	24.7
83.04958	5.1
83.08619	6.2
85.06549	5.2
91.05472	22.4
93.07046	43.4
95.04977	6.0
95.08611	30.7
98.18227	2.1
100.11224	2.4
105.07037	69.8
107.08596	51.1
109.06522	3.6
109.10162	30.9
117.06988	3.4
119.08578	51.7
121.06524	4.6
121.10152	31.5
122.55171	3.4
123.08035	4.1
123.11692	10.1
129.07016	5.6
130.07797	2.6
131.08578	40.2
133.06493	18.0
133.10136	51.8
135.08072	30.9
135.11743	12.3
135.44083	2.3
137.09608	11.4
139.11180	3.6
142.07712	2.9
143.08554	17.5
145.10155	37.6
147.07979	2.8
147.11714	30.6
149.09595	19.4
149.13260	9.5
151.11188	18.7
155.08572	5.7
156.09348	3.2
157.10146	21.4
159.11699	26.0
161.09660	3.8
161.13280	15.0
163.11192	13.4
163.14819	10.6
165.12740	6.0
169.10170	5.7
170.10840	3.1
171.11734	12.3
173.13271	11.3
175.11182	25.0
175.14836	5.5
177.12730	8.4
177.16356	11.1
183.11662	6.5
185.11861	2.6
185.13188	16.4
187.14856	27.3
189.12799	14.1
189.16367	14.4
191.14270	8.8
193.12274	17.2
197.13272	8.6
199.07666	2.7
199.14825	7.9
201.12831	3.3
201.16370	9.6
203.14287	3.9
205.15872	29.5
207.13835	3.7
207.17438	3.8
211.14903	5.3
213.16348	4.1
215.14313	4.8
217.15930	2.7
219.17664	2.7
223.14766	3.1
223.16908	37.3
227.14397	3.7
227.17903	2.9
229.15991	2.6
237.16397	3.9
239.17880	3.6
252.11546	2.7
296.30017	2.8
319.24060	3.2
337.25238	6.7
355.26236	6.8
365.28406	3.9
373.27393	100.0
374.27667	3.8
377.28516	18.9
395.29471	31.9
406.55795	2.7
413.25897	3.2
413.30591	35.6
431.31833	64.9
453.54349	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	430.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00381	2.4
57.03444	22.4
57.07082	13.2
57.07313	2.7
59.05000	3.1
63.04499	24.9
67.51293	2.4
69.03435	67.6
69.56483	18.5
70.06592	11.0
81.03431	6.5
81.68397	3.1
82.49928	2.3
83.71410	2.4
85.02440	4.3
85.02917	53.6
86.09704	13.9
87.04477	49.7
91.05455	3.0
97.02895	56.8
109.02966	3.8
110.42194	3.1
115.03938	84.3
119.10707	100.0
123.04419	5.2
127.03861	7.0
133.04968	66.3
137.82610	2.7
143.08647	3.3
145.04980	6.0
150.07608	5.9
150.95206	2.8
160.67673	2.7
161.06039	6.0
177.05533	3.2
189.09084	2.9
191.06982	5.9
219.02832	5.1
221.64781	3.5
235.09639	5.6
279.04916	20.0
338.38382	2.9
430.21378	12.4
431.09927	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	430.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
57.07076	3.4
67.05521	2.5
69.07065	0.9
69.49742	3.5
71.08608	1.4
71.57174	0.4
79.05493	0.8
80.18983	0.6
81.07051	2.1
83.04999	0.6
85.10181	0.5
91.05453	0.8
93.07031	1.1
95.08600	1.0
98.20792	1.0
107.08598	0.5
109.10178	4.3
113.10492	0.5
117.07042	0.7
119.08588	2.6
121.06515	8.8
122.07280	1.6
123.08057	0.5
135.08066	1.8
136.08855	12.9
137.08690	1.0
137.09639	11.0
138.10097	0.5
146.10356	0.6
149.05943	0.7
149.09642	2.9
150.09967	1.3
152.08276	1.5
163.11211	2.5
164.08348	31.7
164.11484	1.4
165.09123	100.0
166.09453	8.7
177.09056	2.8
177.12842	0.8
178.09612	1.1
179.10686	0.7
187.11230	1.3
190.09940	0.9
191.10680	2.2
192.10942	0.9
205.12283	7.8
206.12651	0.6
220.14272	0.9
412.36841	0.7
430.38052	64.6
431.38321	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.8
57.03433	5.0
57.07082	1.2
57.18335	0.5
62.29985	0.6
64.11996	0.5
65.61134	0.4
67.05180	0.9
67.05510	9.6
69.07072	3.1
69.17514	3.5
69.17937	1.6
71.08640	0.7
74.27791	0.5
79.05505	3.8
81.03429	1.3
81.07066	13.2
83.08638	2.2
86.43098	0.5
88.80981	0.5
91.05489	3.4
93.07050	3.6
95.04969	1.0
95.08612	10.6
97.06541	1.6
97.10194	0.9
98.98471	0.9
105.07052	2.5
107.08607	2.3
109.06483	0.6
109.10177	4.7
111.08082	0.9
113.00027	100.0
119.08614	1.5
121.10168	2.6
121.31367	0.5
123.11718	2.3
133.10147	2.8
135.11711	1.5
137.13246	0.7
139.01530	0.7
145.10072	0.6
147.11707	1.6
149.13264	1.1
155.01201	0.6
161.13315	0.7
163.14767	0.6
169.02626	95.4
175.14830	0.9
189.16275	0.6
193.12314	0.8
201.15985	0.5
245.22655	3.5
263.23730	7.0
311.51205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.94115	0.7
53.03958	0.7
55.05518	3.6
57.07080	16.0
60.73814	0.6
61.50490	0.6
67.05517	4.9
67.31964	0.6
69.07074	4.6
71.08638	11.1
71.42193	1.5
79.05512	3.5
81.07057	7.9
83.08598	2.6
85.10190	6.4
91.05459	2.1
93.07035	3.0
95.08602	6.3
97.10149	1.4
105.07053	3.5
107.08588	6.3
109.10155	6.9
111.04443	1.0
111.11723	1.0
117.06976	0.9
119.08593	3.9
121.06541	1.0
121.10143	4.0
122.07282	1.3
123.08042	1.1
123.11727	1.4
125.05994	1.1
131.08562	3.0
133.10056	1.0
135.08040	4.5
135.11679	2.0
137.09624	10.6
139.07532	2.1
145.10095	2.3
149.09628	16.0
151.07552	0.8
159.11667	2.7
160.08797	0.9
161.09668	1.3
162.06819	0.9
163.07527	0.8
163.11183	19.9
165.09119	100.0
166.09445	1.2
172.08865	1.0
173.09610	1.9
173.13312	1.9
175.07588	0.8
175.11183	6.4
176.08340	2.4
177.09131	12.8
177.12749	2.5
179.10620	1.0
186.10457	1.3
187.11223	3.2
187.14757	0.8
189.09074	1.9
189.12730	1.7
190.09914	1.1
191.10675	10.8
201.12785	3.7
203.10664	2.3
203.14244	1.1
204.11491	1.1
205.12234	9.1
215.14392	1.6
218.12932	0.8
219.13843	5.9
233.15295	3.0
247.17029	1.6
261.18466	1.1
275.20062	2.1
288.55066	0.9
289.21594	1.3
303.23132	2.6
317.24640	1.2
331.26181	1.0
359.29669	1.2
389.78003	0.8
401.34070	2.4
411.36157	2.0
429.37286	35.2
430.37802	2.1
430.81201	0.8
444.57968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05495	2.6
57.06807	0.8
57.07080	16.1
67.05502	3.8
69.03407	0.7
69.07085	4.3
70.62772	2.4
71.08289	1.0
71.08638	10.5
79.05486	1.5
81.07062	6.8
83.08601	2.4
85.10178	6.1
88.44691	0.7
91.05477	3.2
93.07048	1.6
95.08614	7.6
96.55296	0.8
97.10186	2.1
105.07024	2.8
107.08608	5.4
109.10152	6.6
111.11742	1.2
119.08566	3.8
121.10130	3.3
122.07258	1.2
123.08056	1.7
123.11707	1.5
125.13286	0.9
131.08556	2.5
131.48213	0.7
133.10144	1.2
135.08060	6.6
135.11685	1.9
137.09622	8.5
139.07567	2.6
144.09355	1.0
145.10136	2.1
149.09624	14.5
151.07538	0.8
159.08110	0.9
159.11693	2.9
161.09682	1.3
162.06679	0.9
163.07565	0.9
163.11185	20.4
165.09123	100.0
166.09535	1.5
172.08885	0.8
173.09616	1.7
173.13248	2.6
175.11171	5.8
176.08359	1.6
177.09138	10.7
177.12764	2.0
186.10292	0.9
187.11182	2.9
189.12665	1.2
190.09900	0.8
191.10678	11.4
201.12769	2.5
203.10635	1.2
203.14317	1.0
205.12259	10.6
215.14360	2.2
219.13896	6.0
233.15337	2.5
247.17026	2.6
261.18597	1.8
275.20032	1.4
289.21637	2.3
303.23279	1.0
314.45660	0.8
317.24915	1.0
344.69354	0.7
359.29498	1.0
373.30930	1.8
401.34412	3.6
411.36121	1.9
429.37280	38.2
430.37842	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.1
57.07087	5.0
67.05486	3.3
69.07066	4.6
69.83107	4.3
71.08617	4.5
74.42833	1.1
81.07064	7.6
83.08633	2.2
85.10161	2.3
93.07047	1.7
95.08604	4.2
96.34402	1.2
97.10182	2.1
99.81784	1.0
107.08562	1.5
109.10166	5.1
114.46147	1.0
119.08578	3.8
121.10128	1.5
123.11680	1.5
125.05974	3.0
125.13297	1.1
137.09630	10.3
145.10126	1.7
147.11774	1.3
149.09633	6.5
151.07510	1.1
154.86310	1.1
162.39323	1.1
163.11198	2.4
165.09123	100.0
172.08916	1.1
173.09557	1.3
177.09081	4.1
179.10660	1.1
187.11252	2.4
190.09860	3.5
191.10664	4.2
205.12250	22.2
359.02475	1.4
401.34116	1.1
411.36328	2.0
429.31754	7.7
429.37296	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	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05498	1.6
57.06839	0.4
57.07080	5.0
58.37740	0.4
67.05509	3.5
69.07061	2.3
70.09891	0.6
70.10240	1.4
70.88004	0.4
71.08633	3.0
79.05486	1.1
81.07065	5.1
83.04974	0.6
83.08627	2.0
85.10181	2.0
90.09350	0.5
91.05455	0.8
93.07037	0.6
95.08611	2.5
97.10180	1.2
105.07011	1.4
107.08593	0.5
109.10171	4.4
111.11713	1.2
113.00026	1.3
117.07011	0.6
119.08598	2.6
121.10121	1.1
122.07277	1.3
122.41273	0.4
123.08127	0.4
123.11706	0.8
125.06015	2.1
125.13246	0.7
131.08574	1.1
133.10149	0.5
135.08029	1.5
137.09628	9.2
138.38461	0.4
145.10141	1.7
149.09621	5.6
151.07561	1.8
154.12585	0.4
159.11697	1.6
161.09621	0.4
163.11192	2.3
165.09117	100.0
166.09441	1.7
169.02637	0.7
172.08806	0.6
173.09657	1.3
175.07620	1.2
175.11284	0.4
176.08290	1.3
177.09111	4.1
177.12714	0.9
179.10686	1.8
187.11177	2.1
189.09036	0.6
190.09872	3.5
191.10666	4.2
194.40843	0.4
195.31566	0.4
205.12250	22.7
206.12494	0.4
275.74921	0.4
355.94958	0.4
401.34119	0.6
411.36255	0.4
426.80490	0.4
429.32022	1.2
429.37308	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	429.3732
Annotation	HMDB12168
Peak:m/z	Relative Intensity
55.05514	5.9
57.07079	9.3
67.05510	7.0
69.07071	14.5
71.08639	9.2
71.10664	1.5
79.05498	6.6
81.07063	22.9
83.04978	1.0
83.08620	5.5
85.10190	6.4
90.93433	0.7
91.05489	3.2
93.07054	8.2
95.08619	21.9
97.06540	2.2
97.10176	4.6
105.07047	7.5
106.23141	0.8
107.04988	2.4
107.08601	10.4
109.06528	1.1
109.10146	8.2
111.11695	3.4
113.00072	0.8
117.07021	2.3
119.08593	6.7
121.06545	2.4
121.10152	6.0
123.08072	2.6
123.11703	4.1
125.05957	1.1
125.13311	1.1
126.68154	0.7
129.07001	1.5
131.08548	4.8
133.10143	5.4
135.08078	2.8
135.11714	6.4
137.09634	2.1
137.13220	1.7
142.07770	1.0
143.08583	2.2
145.10141	5.8
147.08034	1.8
147.11713	5.7
149.09621	6.6
149.13306	3.5
151.14931	0.8
157.10141	7.2
159.11682	7.3
160.08815	1.1
161.09674	3.4
161.13272	2.2
163.11211	6.7
163.14839	2.5
165.09119	17.0
169.10138	1.8
171.11687	3.3
173.09677	1.7
173.13315	3.7
175.11192	11.1
177.09143	1.8
177.12836	2.4
177.16389	0.7
183.11711	1.7
185.13272	2.0
187.14778	1.3
189.12785	1.9
191.10736	1.7
193.12358	0.7
197.13251	1.7
197.23822	0.7
199.14851	1.9
201.12787	2.1
201.16560	1.0
203.14142	0.9
205.12242	2.0
209.14857	0.7
209.33234	0.7
211.14883	1.6
213.16510	1.3
215.14412	2.1
217.15875	1.2
221.51677	0.8
225.16365	0.6
227.01991	0.7
229.15907	2.1
247.16840	0.9
253.19501	2.7
257.18967	1.4
271.20679	2.1
346.81631	0.8
362.73965	0.8
383.36267	0.8
393.35095	4.8
411.36258	15.6
429.37296	100.0
430.37723	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	429.3368
Annotation	Gibberoketosterol C
Peak:m/z	Relative Intensity
55.05508	22.5
57.07086	7.8
67.05505	30.2
69.07069	27.7
69.18350	5.2
69.59930	29.7
73.04765	6.2
79.05502	27.4
81.07059	95.2
81.37831	5.6
83.05006	11.7
83.08630	18.4
85.06541	6.7
88.83555	5.3
91.05436	33.5
93.07053	71.5
95.04961	6.4
95.08619	88.5
95.09201	9.1
97.06554	12.7
97.10155	5.7
99.08094	35.5
105.07043	59.2
107.08586	74.0
109.06512	14.5
109.10158	79.7
111.08097	10.8
117.07018	12.0
119.08588	100.0
121.06534	5.9
121.10145	74.2
122.04384	5.9
123.08061	12.7
123.11719	20.5
125.09638	8.8
128.06293	7.5
129.07001	14.6
130.07782	6.5
131.08585	30.6
133.06464	7.5
133.10133	73.2
134.10510	5.5
135.08084	14.6
135.11696	43.9
137.09618	12.2
137.13277	13.2
143.08571	23.6
145.10115	66.0
147.08025	9.7
147.11688	48.8
149.09641	14.5
149.13277	26.0
151.11249	10.5
155.08528	6.6
156.09427	9.4
157.10149	22.3
159.11705	50.8
161.09688	11.7
161.13260	31.1
163.11256	9.2
163.14851	18.3
164.13651	5.5
169.10162	12.0
170.10855	7.8
171.11652	35.1
173.13274	27.6
175.11258	10.7
175.14854	25.7
177.12744	9.6
177.16371	11.9
183.11720	17.1
185.13248	38.3
187.14815	63.2
189.12767	8.1
189.16449	29.9
191.10768	6.7
191.14308	12.0
193.04971	10.9
193.12234	5.3
193.15981	5.8
195.13821	5.6
197.13264	10.5
199.14857	18.3
201.12741	10.8
201.16397	23.1
203.14308	12.4
203.17966	10.0
205.15855	26.2
209.13277	7.2
211.14882	12.6
213.16479	15.0
215.17909	7.3
217.15878	11.2
223.14963	6.1
223.17023	12.1
225.16402	11.1
231.17422	6.9
239.17952	8.6
241.19540	9.7
243.21123	9.1
253.19685	5.7
255.21111	7.2
257.19064	7.3
259.20593	13.0
261.22098	11.6
273.22229	13.8
339.27020	13.4
353.28583	6.2
359.02609	6.8
386.99896	4.9
393.27701	6.4
393.31650	62.7
397.45197	5.5
400.36920	6.1
411.32947	81.0
429.11914	9.5
429.29288	31.8
429.33612	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3368
Annotation	Gibberoketosterol C
Peak:m/z	Relative Intensity
50.29489	4.6
55.05510	14.8
57.07051	6.4
67.05502	27.5
69.07055	19.5
69.41420	32.9
72.39485	3.8
79.05480	18.2
81.07055	47.6
83.08618	8.0
87.83688	4.5
91.05451	25.2
93.07050	55.1
94.07344	5.1
94.25422	4.4
95.08611	55.2
97.06532	4.6
98.20796	8.0
99.08099	48.0
105.07032	43.0
107.08596	73.6
109.10162	81.3
111.08070	6.4
117.07013	10.0
119.08582	94.7
121.10141	80.4
123.08103	8.3
123.11723	23.1
125.09589	4.7
127.07551	5.5
129.06981	4.9
131.08591	26.0
133.10135	68.6
135.08054	8.4
135.11700	56.3
137.09636	5.9
137.13263	9.0
143.08545	15.0
145.10123	62.2
147.11696	40.5
149.02246	5.3
149.13266	18.8
151.11130	12.4
153.12767	5.9
155.08470	5.1
156.09419	6.4
157.10135	18.6
159.11699	31.1
161.09569	8.2
161.13249	27.9
163.11172	9.8
163.14827	21.2
165.12756	9.0
169.10118	12.5
171.11673	31.4
172.83649	4.1
173.13301	32.1
175.14839	17.7
177.16377	5.5
183.11769	5.4
185.13271	42.3
187.14824	69.8
189.12624	6.2
189.16396	23.5
191.14290	7.4
197.13243	5.5
199.14812	11.8
201.16382	23.8
203.14363	15.3
203.17975	8.3
205.15895	24.6
207.17374	5.4
209.13330	6.9
211.14928	6.7
213.16336	10.2
215.17953	10.9
223.14948	6.3
223.16991	7.3
225.16254	11.9
237.16547	7.1
239.17982	12.1
241.19574	12.4
243.21208	5.6
247.20627	6.2
253.19521	8.2
255.21234	7.0
257.19077	6.4
259.20590	13.1
261.22119	9.9
271.20505	5.2
273.22098	15.8
283.20508	4.6
293.22540	6.2
321.25845	6.2
327.26599	5.7
339.26834	15.6
353.28397	14.2
357.27893	7.8
371.29526	7.3
375.30457	10.3
393.31531	70.2
411.27533	6.5
411.32605	100.0
429.34338	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	19.6
57.03440	3.6
57.07066	5.9
59.70053	3.6
63.05206	3.9
67.05509	30.7
69.07076	27.9
69.33348	26.5
69.33758	5.4
71.04981	10.7
79.05499	29.3
81.03421	9.0
81.07063	71.1
82.20165	3.4
83.04962	10.3
83.08633	8.0
85.06544	9.5
91.05476	37.2
93.07058	67.9
95.04966	9.4
95.08615	63.9
97.06554	5.2
97.10191	5.3
98.20793	8.7
99.04456	30.7
99.08114	18.7
105.07042	98.1
107.08604	89.7
109.06510	20.7
109.10169	62.3
111.08074	12.1
114.78639	3.3
117.07019	16.7
119.08596	100.0
119.09464	5.0
121.06493	11.9
121.09322	6.2
121.10151	65.6
123.08072	11.8
123.11715	16.8
125.09656	5.1
128.06189	4.2
129.06963	7.3
130.07764	7.8
131.08594	26.3
133.06511	32.8
133.10141	74.9
134.06908	3.9
135.08060	14.0
135.11674	36.6
137.06010	7.2
137.09621	8.6
139.11148	7.1
142.07776	7.0
143.08571	20.3
144.09280	5.4
145.10133	73.2
147.08040	11.6
147.11707	43.8
149.02292	4.7
149.09628	12.3
149.13322	22.2
151.07608	5.2
151.11165	10.3
155.08606	5.7
155.34119	3.5
156.49857	4.4
157.10135	22.3
159.11711	50.8
161.09593	17.8
161.13274	38.9
163.11180	21.5
163.14868	36.3
165.12766	11.4
169.10164	8.7
171.11710	28.2
173.09630	8.4
173.13266	24.9
175.11223	10.8
175.14804	23.2
177.12784	7.5
177.16370	13.7
182.10863	3.9
183.11693	9.9
185.13254	20.5
187.11174	5.5
187.14832	72.2
189.12737	12.2
189.16391	12.1
191.10661	60.4
191.14253	5.9
193.05084	5.0
193.12209	3.8
195.11748	5.9
195.13699	3.9
196.12567	4.9
197.13246	7.1
199.14867	16.6
201.12706	4.1
201.16414	16.2
203.14256	5.9
203.18007	7.3
205.15916	43.6
209.13390	7.6
211.14944	6.8
213.16417	16.7
215.14253	7.2
215.17982	8.3
217.15880	4.4
219.17223	3.9
221.13341	4.3
223.14894	6.5
223.16939	38.7
225.16455	5.8
227.17943	9.3
229.19540	7.0
231.17451	10.2
235.14757	6.1
239.17851	5.5
241.19453	9.5
243.17322	6.2
243.21185	4.3
247.16919	4.3
247.20578	6.4
251.18015	6.7
253.19490	7.5
259.20435	5.8
261.22125	5.7
269.19086	5.8
271.20746	3.9
273.22086	7.0
301.25269	4.5
321.25592	7.1
327.26880	4.4
357.27917	4.7
393.27240	6.2
393.31927	30.7
401.62628	4.3
411.28458	11.5
411.33420	28.8
429.20303	7.4
429.29605	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.4
55.01854	4.6
55.05513	14.0
57.03438	15.6
57.07066	2.6
65.03913	2.4
67.05511	34.8
69.03420	17.8
69.07075	16.5
71.04989	7.4
71.50399	4.0
73.04733	3.1
79.05492	27.8
81.03418	45.5
81.06594	5.0
81.07055	68.4
83.04961	11.1
83.08630	8.2
85.02889	13.6
85.06544	5.6
91.05464	31.0
93.07044	31.6
95.04962	8.9
95.08610	37.3
97.02895	10.3
97.06530	7.4
97.10185	4.1
98.54315	2.2
99.04453	11.4
99.08091	6.5
103.03943	4.5
103.05476	6.8
105.07034	100.0
107.04960	4.8
107.08596	42.6
109.02892	27.3
109.06528	8.1
109.10147	31.6
111.08086	7.0
115.05495	2.9
117.07040	12.4
119.04934	2.6
119.08591	54.0
121.06518	8.1
121.10155	41.1
123.08080	8.4
123.11713	22.0
127.03917	11.9
127.07543	2.7
128.06253	2.6
129.07021	7.1
130.07774	4.4
131.08589	16.9
133.06496	48.4
133.10130	32.6
135.08084	9.2
135.11734	11.6
137.09607	3.2
137.13297	4.5
141.09082	3.0
143.08583	10.1
145.10121	45.8
147.08028	7.4
147.11697	70.0
148.12059	3.4
149.09595	12.1
149.13263	6.9
151.11203	8.8
155.08517	2.9
157.10104	14.6
159.08051	5.1
159.11691	19.8
161.05981	3.2
161.09673	5.6
161.13289	11.8
163.03969	2.8
163.11208	9.9
163.14813	16.1
165.12770	32.4
169.10139	6.4
171.11720	9.8
172.12450	2.8
173.09642	6.7
173.13289	11.5
175.11234	10.9
175.14864	10.5
177.12672	4.2
177.16347	10.8
181.10107	2.7
183.06549	3.9
183.11707	11.2
183.13811	3.5
185.09639	2.9
185.13303	8.9
187.11174	5.0
187.14827	38.0
188.15140	2.8
189.12779	4.4
189.16403	3.1
191.10683	61.7
191.12395	4.7
191.14334	4.1
193.10266	2.4
193.12273	10.8
195.11693	4.9
197.13272	7.0
199.14912	4.7
201.12833	5.0
201.16429	3.3
203.14291	5.8
205.12302	4.6
205.15875	42.7
207.13841	6.2
209.11713	4.2
211.11429	2.6
211.13333	6.9
211.15060	2.7
213.12747	3.4
213.16441	4.8
215.14404	3.6
215.18134	2.4
223.14993	2.6
223.16939	46.2
227.18007	3.1
229.14366	7.9
241.15994	4.6
243.17665	2.9
245.15427	3.1
245.84058	2.8
267.15936	14.4
273.18524	3.0
285.17081	10.0
299.20020	2.5
313.16525	4.5
337.16611	2.9
375.27029	5.4
393.19370	2.9
393.27747	14.2
411.20355	3.9
411.28903	15.2
429.21674	13.7
429.30072	79.6
430.30682	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	429.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.05516	3.7
57.03442	4.8
57.07068	1.3
67.05509	8.5
69.03430	1.1
69.07072	2.4
69.15273	5.3
69.15675	1.0
74.51855	0.6
79.05499	9.4
79.77002	0.6
81.03432	2.4
81.06597	0.9
81.07061	13.6
83.05004	0.7
83.08625	3.1
91.05473	4.9
93.07053	10.1
95.04976	1.3
95.08608	10.8
95.09180	0.8
96.08978	0.7
97.02894	1.6
97.06548	0.9
98.21510	1.4
98.93960	0.6
98.98492	1.0
99.08060	0.6
103.78790	0.5
105.07048	5.7
107.08598	9.0
109.10171	4.8
111.08087	0.9
113.00024	100.0
117.07002	1.0
119.08588	4.1
121.10152	7.9
123.08039	0.8
123.11700	1.9
123.20074	0.7
131.08578	5.7
133.10097	4.2
135.11687	5.4
139.01599	0.8
139.03883	0.6
145.10136	2.9
146.13022	0.6
147.11670	3.3
149.13297	4.1
159.11687	2.9
161.13208	2.2
163.14806	3.0
165.12740	0.9
169.02621	87.0
173.13260	3.0
175.14917	1.3
177.16447	1.2
187.14809	2.1
189.16449	0.7
193.12202	1.4
201.16393	0.9
211.13275	1.8
233.22687	1.1
243.21086	6.9
261.22150	19.9
275.23773	0.7
429.18762	1.3
429.24548	0.8
429.29123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.8
55.01872	3.4
55.05511	13.0
57.03442	12.7
57.07078	1.6
67.05505	13.8
69.03432	26.7
69.07081	7.1
71.04997	7.1
73.02911	2.8
79.05505	11.5
81.03425	73.5
81.07056	19.5
83.01336	1.4
83.04986	21.4
83.08626	18.1
83.67445	1.4
85.02908	22.5
91.05477	14.5
93.07052	14.3
93.39754	1.3
95.04970	17.0
95.08620	11.7
97.02895	43.6
97.06519	4.0
97.10165	5.4
98.20808	2.9
99.04465	7.2
99.08134	2.5
105.07024	16.1
106.77644	1.3
107.04953	5.4
107.08592	12.8
109.02883	14.9
109.06545	3.5
109.10155	9.3
111.04471	7.6
111.08096	10.8
115.05515	1.7
119.08588	17.9
120.67870	1.3
121.10159	10.3
123.08058	2.4
123.11703	4.1
125.09626	3.2
127.03899	13.7
129.05501	5.4
129.06989	4.9
131.08598	9.5
133.06471	1.9
133.10092	9.2
135.08136	1.4
135.11684	6.9
143.08588	1.6
145.04916	2.1
145.10106	6.4
147.11694	14.3
149.09627	4.9
149.13232	3.3
153.12723	1.9
157.10156	11.7
159.11737	4.4
161.13326	2.1
163.11176	3.2
163.14810	1.8
165.12749	3.5
173.13339	3.2
175.11160	12.5
175.14977	1.9
181.12259	1.7
183.41547	1.5
185.13361	2.9
187.14876	4.1
189.16461	3.0
191.10727	3.5
193.06525	1.5
193.10464	2.9
193.12247	58.1
193.15984	2.0
201.16451	1.8
203.18088	1.7
205.16013	3.3
209.11800	2.2
211.13304	100.0
227.12837	4.9
229.14461	3.7
249.14902	5.1
265.14532	2.1
267.15945	2.0
285.17038	7.8
301.14236	2.0
321.75134	1.7
355.17517	4.5
383.33093	1.7
393.31592	2.5
411.20331	3.4
411.32532	6.8
429.21268	61.3
429.32187	14.4
451.95209	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.1
55.01868	4.1
55.05521	11.9
57.03441	18.8
67.05509	16.1
69.03432	38.0
69.07085	4.4
69.55505	10.1
71.04994	8.8
78.19349	1.9
79.05515	13.2
81.03424	87.2
81.07059	19.3
82.03728	1.5
83.04986	22.5
83.08628	19.4
85.02909	24.5
85.92138	1.8
91.05492	14.8
91.84651	1.6
93.07050	12.2
95.04964	18.5
95.08611	8.0
97.02901	49.5
97.06531	4.3
97.10184	4.6
99.04458	8.1
105.07042	12.8
107.04956	3.1
107.08598	8.0
109.02899	13.2
109.06523	3.3
109.10183	3.9
111.04443	8.5
111.08090	8.6
115.05462	1.8
117.07050	1.9
119.08595	14.2
121.10159	7.2
123.11749	2.5
125.09596	2.7
127.03931	13.7
129.05511	5.1
129.07033	7.3
131.08571	9.2
133.06538	1.9
133.10135	10.0
133.20921	1.6
135.11702	3.4
145.10187	3.2
147.08101	3.3
147.11676	10.6
149.09674	4.3
157.10175	7.0
163.11168	3.2
165.12804	4.4
175.11208	10.1
181.12340	3.1
183.06570	1.8
191.10645	4.1
193.12263	59.8
211.13292	100.0
212.13702	3.1
227.12813	5.7
229.14299	2.5
249.14948	6.9
260.16440	1.6
267.16083	2.6
285.17026	8.7
309.17102	1.8
355.17709	5.4
396.23553	1.6
411.20001	2.3
429.21307	54.9
429.33530	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79484	1.0
53.03948	8.3
55.01871	4.4
55.05514	12.4
57.03442	14.4
57.07068	1.4
60.00294	1.1
61.02931	1.6
67.05509	11.5
67.37498	1.3
69.03430	31.1
69.07076	7.2
71.01363	1.4
71.04982	7.8
71.32338	1.2
73.02903	1.3
79.05499	14.4
81.03421	81.8
81.07061	24.3
83.04983	22.8
83.08620	17.6
85.02909	25.2
85.06539	1.4
87.04484	2.6
91.05480	16.1
93.07047	12.5
95.04973	16.2
95.08612	14.1
97.02899	48.4
97.06531	4.1
97.10186	3.3
99.04459	6.3
105.07034	13.3
107.04961	4.2
107.08599	11.4
109.02893	14.9
109.06554	2.6
109.10146	8.7
111.04443	7.5
111.08077	9.2
119.08597	16.9
120.23714	1.2
121.06516	2.3
121.10146	13.7
123.11718	4.0
125.09631	3.7
127.03912	11.9
129.05478	5.1
129.07018	4.7
131.08597	9.8
133.06538	1.7
133.10143	11.9
135.11671	5.8
137.09669	1.5
137.13293	1.9
142.07814	2.4
143.30037	1.3
145.10167	5.0
147.08131	2.1
147.11691	11.9
149.09651	4.8
149.13251	2.2
151.13605	1.2
151.14838	3.2
153.12746	1.2
157.10149	11.9
159.11734	2.7
161.13278	2.2
163.11234	2.7
163.14790	3.1
165.12767	3.6
173.13254	2.5
175.11205	12.0
175.14847	4.6
177.16464	3.9
181.12308	2.2
187.14883	4.6
189.16457	2.1
191.10771	3.1
193.12247	53.7
194.12531	2.5
200.20134	1.5
201.16422	4.2
209.11835	1.8
211.13301	100.0
212.13699	1.7
215.17973	2.0
227.12810	4.6
229.14386	3.3
249.14874	6.1
267.13315	1.3
267.16058	2.4
281.22739	1.6
285.17029	6.5
329.03171	1.5
337.16437	3.0
355.17548	4.3
411.20648	1.5
411.32739	3.0
429.21268	57.7
429.29944	3.1
430.21310	1.4
439.13373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.6
54.88299	2.1
55.01855	3.4
55.05515	18.2
57.03210	1.8
57.03445	18.1
57.07084	2.2
67.05514	21.4
69.03440	35.0
69.07062	9.5
69.40881	4.4
69.41293	13.5
71.04996	11.0
73.04762	4.3
79.05505	25.8
81.03426	86.1
81.07066	35.7
83.04995	21.3
83.08630	22.6
85.02915	21.4
85.06559	2.6
91.05470	23.6
93.07051	32.7
95.04975	20.5
95.08613	28.4
97.02906	54.7
97.06534	5.6
97.10183	6.7
98.20731	2.9
99.04463	11.9
99.08120	3.9
105.06403	3.6
105.07042	31.5
107.04966	5.4
107.08610	27.2
109.02890	11.5
109.10162	15.4
109.91086	2.3
111.04461	11.7
111.08091	13.1
113.00029	92.0
117.07042	3.4
119.08590	31.0
121.06500	4.9
121.10188	23.1
123.08052	5.2
123.11723	6.4
127.03907	17.0
129.05473	8.5
129.07019	7.8
131.08592	14.8
133.06520	2.5
133.10168	21.2
133.89407	2.2
135.08038	3.0
135.11705	16.4
139.11168	2.2
142.21669	2.2
143.08582	3.4
145.06456	2.4
145.10118	13.3
147.08022	3.6
147.11676	19.4
149.02341	4.7
149.09645	7.6
149.13246	10.3
153.12784	3.4
155.44917	2.5
157.10114	14.9
159.11719	9.5
161.13251	6.2
163.03905	2.8
163.11176	4.2
163.14832	6.4
165.12733	3.4
167.05554	3.0
169.02621	80.3
169.10114	2.9
171.11789	4.5
173.13252	7.3
175.11188	12.7
175.14825	7.1
177.16299	4.7
179.04555	2.1
181.12260	3.8
183.11717	3.6
187.14838	7.0
189.12796	3.3
191.10579	4.7
191.14310	4.1
191.17877	2.4
193.04977	3.5
193.12270	55.8
199.14934	3.9
201.16383	2.9
203.17958	2.9
205.15915	5.0
211.13304	100.0
211.15303	5.2
213.16434	2.4
217.04959	2.5
227.12880	7.3
229.14418	5.2
243.21068	9.5
249.14857	4.2
254.15916	2.5
261.22214	20.4
285.16998	5.2
355.17075	2.4
359.02838	3.0
393.31622	5.1
397.59216	2.6
411.32498	10.0
429.21384	56.6
429.29346	4.7
429.33905	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	429.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25798	9.5
55.01867	14.2
55.05497	8.6
57.03442	11.7
67.05512	21.8
69.03424	33.8
69.07048	13.6
71.04999	15.9
71.48699	12.2
79.05491	27.5
81.07072	46.7
83.04973	32.8
84.26861	9.8
85.02908	22.4
86.09723	11.2
91.05489	30.1
93.07041	26.6
95.04967	34.3
95.08598	15.0
97.02896	20.1
97.06535	28.9
101.42080	8.1
105.07030	59.9
107.04975	24.5
107.08595	36.6
109.06541	21.4
117.07036	11.8
119.04919	9.9
119.08593	21.1
121.06518	35.9
121.10164	13.7
125.05991	16.2
129.07025	10.0
131.08501	22.5
133.06442	9.0
133.10182	15.0
137.02377	19.3
137.05962	30.2
143.07048	11.0
143.08589	16.3
145.07619	19.9
145.10141	77.3
147.04396	29.7
149.04378	9.4
149.09610	11.2
159.11746	18.7
163.03909	39.7
163.11238	75.6
173.09698	25.3
187.11177	35.8
191.10631	26.8
205.12299	42.2
215.10652	38.6
233.11844	28.7
251.12718	27.7
259.93057	10.0
275.52695	8.8
280.45459	9.6
292.34152	8.6
339.04758	10.6
359.03271	14.3
369.06018	13.1
393.15411	12.0
429.21323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2099
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
54.25399	0.3
69.03433	0.4
70.06587	1.1
71.19626	0.3
73.04753	0.9
78.89944	0.4
81.03434	0.4
85.02913	0.4
91.05815	0.7
97.02911	0.4
98.20773	1.0
105.03406	1.2
107.74722	0.3
121.02885	0.5
135.08125	0.4
145.02846	0.6
147.09215	0.5
150.07785	0.3
159.62531	0.3
163.03911	0.4
177.05502	0.5
193.08780	0.4
195.39793	0.4
203.05286	2.2
214.54326	0.4
249.14653	0.8
265.54959	0.4
267.12534	0.4
285.04398	0.5
341.42740	0.3
359.03043	0.7
364.67529	0.4
371.16953	1.2
411.15680	0.5
429.21048	100.0
430.21292	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	11.8
55.01868	3.1
55.05513	17.0
57.03443	20.9
57.07080	2.2
58.36250	1.5
61.02929	1.8
65.03947	3.9
67.05511	22.4
69.03432	30.4
69.07069	7.5
69.35310	12.5
71.01347	2.6
71.04996	10.6
73.02935	2.4
79.05500	20.7
81.03426	90.1
81.07059	29.6
83.04993	24.4
83.08637	19.2
84.60803	1.5
85.02917	24.8
85.06561	1.9
87.04485	3.3
91.05478	26.4
93.07053	28.8
95.04980	18.5
95.08617	29.5
97.02899	51.8
97.06564	4.0
97.10201	2.6
99.04475	7.3
99.08131	4.2
105.07038	22.7
107.04968	3.9
107.08611	21.6
109.02892	14.5
109.06554	4.4
109.10165	12.6
111.04455	9.4
111.08086	10.4
113.00027	66.8
113.06064	1.9
114.05090	1.6
117.07038	3.4
119.08593	21.7
121.06519	2.8
121.10156	22.6
122.10531	2.2
123.08115	1.7
123.11749	5.5
125.09653	2.0
127.03923	12.1
129.05518	5.4
129.07037	7.5
131.08562	15.6
133.06493	2.5
133.10150	15.4
135.08052	2.4
135.11682	11.6
137.09702	3.1
137.13261	1.7
143.08580	2.4
145.10089	10.8
146.54793	1.5
147.11722	21.1
149.09653	7.7
149.13324	5.6
156.09674	1.5
157.10133	11.6
159.11748	6.9
159.81093	1.6
161.13292	6.2
161.83623	1.8
163.11229	4.2
163.14851	4.6
165.12828	5.1
169.02629	62.1
171.11797	2.5
173.13293	5.7
175.11186	13.9
175.14821	2.5
177.16487	2.4
181.12291	3.7
185.13316	2.1
187.14885	4.7
189.16489	2.0
191.10643	4.3
191.14363	1.9
191.18034	2.1
193.12257	59.2
204.18297	2.2
205.16008	3.6
211.13301	100.0
212.13672	2.6
227.12704	4.6
229.14238	2.2
235.47185	1.9
243.21165	6.9
249.14926	4.5
261.22159	15.7
265.14511	2.0
268.67520	1.8
283.15643	2.3
285.17123	5.5
295.26895	1.7
355.17725	6.0
411.20309	1.9
411.32968	5.1
429.21301	58.4
429.29831	3.5
429.34113	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.7
53.03950	3.1
55.01863	0.7
55.05504	0.9
57.03440	0.4
63.02370	0.7
67.05518	1.6
69.03439	1.9
69.07065	0.7
69.96789	1.4
71.04994	0.4
77.03941	1.1
79.05502	2.5
81.03427	3.2
81.07062	3.2
83.04976	0.7
83.08620	0.4
85.02906	1.0
89.03925	8.8
91.05478	1.5
93.07017	1.1
95.04977	2.8
95.08608	1.2
97.02894	1.0
97.06540	0.3
97.10169	0.9
99.04437	0.4
103.05463	0.4
105.03403	33.3
105.04538	1.4
105.07041	2.9
107.04977	2.0
107.08612	1.0
109.02870	3.5
109.06573	0.4
109.10142	0.9
111.04450	0.4
115.05467	0.4
117.03392	11.9
117.06986	0.6
119.04934	0.4
119.08646	1.7
121.10164	1.1
123.04430	0.3
123.08026	0.4
123.11692	0.7
127.03919	1.6
128.06174	0.3
129.07013	1.1
131.08549	0.6
133.06516	0.5
133.10149	0.8
135.04427	19.8
137.05946	0.5
141.06941	0.3
145.02858	14.6
145.06427	0.4
145.10086	0.6
147.04443	1.1
147.08064	0.5
147.11700	2.7
153.05531	0.3
153.06970	0.4
155.08487	0.3
157.06538	0.8
157.10159	0.5
159.08080	0.5
159.11667	0.6
161.09621	0.3
163.03917	100.0
164.04257	1.3
165.05544	0.3
165.09236	0.3
165.12759	1.7
167.07019	0.4
171.11668	0.5
173.06006	1.0
173.09639	0.5
175.11264	0.6
183.04364	0.4
185.05934	0.7
197.05978	0.4
201.05493	2.3
201.16400	0.4
203.07100	1.1
205.15912	0.3
213.12764	0.6
219.06531	0.6
227.07137	0.4
229.05009	1.4
229.14400	0.5
231.06563	0.7
243.06471	0.7
247.06073	4.2
267.15952	1.1
271.06073	1.8
289.07135	0.7
325.96793	0.3
397.09384	0.5
411.10733	0.7
429.21027	0.4
429.26160	1.1
429.30777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
54.46440	0.3
55.01880	1.6
55.05515	2.9
57.01623	0.4
57.03450	3.8
61.59636	0.5
65.03938	4.3
67.05510	8.0
67.05847	0.8
69.03433	6.9
69.07063	3.3
69.25743	2.8
69.26172	1.4
69.37411	0.5
70.12909	0.5
71.05002	1.8
73.04771	0.6
79.05493	6.4
79.17457	0.5
79.64432	0.6
81.03426	11.0
81.07059	21.8
83.04993	2.7
83.08627	1.5
85.02902	4.7
85.06541	1.5
91.05483	23.4
92.06311	0.5
93.03397	0.5
93.07047	4.2
95.04969	2.0
95.08611	6.5
97.02882	3.0
97.06536	2.4
97.10126	0.6
98.20728	0.7
99.04463	3.0
99.08101	1.1
103.03947	0.8
103.05504	0.5
105.03399	1.0
105.04450	0.5
105.07041	10.0
107.04965	0.9
107.08601	4.5
107.44857	0.4
108.25584	0.5
109.02882	5.7
109.06536	2.0
109.10179	1.6
111.04483	1.3
111.08110	0.5
112.74124	0.5
113.06034	0.5
117.07022	0.8
119.04948	27.7
119.08581	9.1
121.02877	60.8
121.03919	2.5
121.10146	5.6
121.34351	0.6
123.08099	1.0
123.11723	6.1
125.72027	0.4
127.03941	6.5
127.07635	0.5
129.07037	1.2
131.04941	0.6
131.08556	1.3
132.00587	0.5
133.10129	1.6
135.11682	0.7
137.06013	2.0
137.13242	0.7
141.07011	0.6
141.09096	0.5
143.08603	0.5
144.93324	0.4
145.10094	0.8
147.04417	100.0
147.11694	19.4
148.04759	1.2
149.09625	0.6
151.03903	0.7
157.10168	1.4
157.37405	0.5
159.08047	0.6
159.11688	0.9
161.13266	0.6
163.03935	1.6
163.11154	0.7
165.12764	12.9
167.07027	1.0
171.11681	0.5
175.07471	0.5
175.11217	1.6
181.04974	0.7
183.06494	0.8
183.13844	1.6
184.05272	0.6
185.04179	0.6
185.05846	0.8
187.07458	1.0
187.11179	0.5
193.12244	1.8
201.07568	0.6
205.80254	0.5
211.07588	0.6
211.13306	0.7
213.05609	0.6
227.07037	0.5
229.14326	3.9
231.06516	1.3
234.08653	0.9
249.05127	1.0
255.06465	0.5
267.06442	0.7
267.15942	7.5
285.17081	3.6
312.67944	0.5
313.16397	1.1
321.05823	0.9
327.18030	0.8
337.16266	0.7
355.17203	0.9
359.02652	0.6
393.19095	0.8
397.09323	0.9
411.10580	1.5
411.20108	1.6
429.11331	5.4
429.16653	0.5
429.21017	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	427.394
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05507	20.1
56.73409	5.1
57.07059	6.8
62.56916	4.6
64.07901	4.8
67.05503	31.3
69.07072	57.4
71.49262	6.0
77.81446	4.4
79.05493	13.3
81.07065	91.4
83.08620	21.0
91.05460	12.9
93.07053	27.7
95.08613	100.0
97.10157	13.0
105.07030	20.4
107.08571	35.0
109.10167	65.1
110.07553	5.5
111.11732	30.9
119.08575	15.1
121.10152	33.1
123.11726	28.5
133.10123	14.0
135.11707	30.3
137.13261	22.1
137.20821	5.7
139.11153	6.6
147.11720	12.1
149.13295	28.5
163.14812	18.6
165.09047	8.8
165.54919	5.2
175.14803	6.2
177.16403	11.4
191.17938	9.9
203.17886	11.5
203.60390	5.9
205.19531	6.7
217.19534	12.9
235.20555	6.0
409.38272	19.4
415.05624	5.2
427.39426	61.2
428.55093	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	427.3939
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03938	3.3
55.05516	24.8
57.07069	7.7
58.15504	2.3
65.03944	3.2
67.05508	28.7
69.07072	36.2
69.32256	19.0
79.05495	23.1
81.07060	65.4
83.08627	20.0
91.05492	18.1
93.07047	56.6
95.04974	3.1
95.08614	100.0
97.06534	2.6
97.10181	11.3
97.62164	2.8
102.81827	2.5
105.07040	25.6
107.08599	85.5
109.10162	85.2
111.11736	7.1
119.08590	38.2
121.10162	56.0
123.08071	5.0
123.11719	39.0
131.08559	5.7
133.10135	26.1
135.08066	2.9
135.11703	56.3
137.13287	13.4
143.08554	2.8
145.10130	8.3
147.11681	25.6
149.13274	52.0
151.11148	3.1
151.14825	2.8
157.10152	4.4
159.11693	9.4
161.13248	27.1
163.14830	34.3
165.09149	4.4
165.12733	4.9
165.16434	3.0
171.11679	3.4
173.13306	8.0
175.14877	12.7
177.16365	9.5
179.14369	20.1
187.14851	5.9
187.43552	2.6
189.16394	20.2
191.17973	45.9
199.14868	3.0
201.16505	3.8
201.37801	2.2
203.17992	20.7
205.19536	15.4
207.17503	9.3
213.16351	2.5
215.17964	6.0
217.19450	14.7
219.21056	13.8
229.19498	4.4
238.40929	2.8
299.27307	3.6
325.46454	2.6
409.38873	17.0
427.28751	16.4
427.35074	12.3
427.40302	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01864	3.0
55.05511	20.4
57.07056	6.5
63.23333	2.6
67.05504	26.8
69.03443	4.3
69.07072	26.4
71.50143	4.1
79.05506	22.3
81.07057	63.3
83.08607	15.4
85.06523	6.6
91.05492	24.5
93.07051	56.9
95.04992	6.7
95.08614	100.0
97.06516	4.3
97.10154	8.1
99.08107	7.0
101.80644	2.8
105.06339	3.5
105.07037	50.4
107.04908	3.6
107.08601	74.8
108.08890	4.1
109.06541	5.8
109.10165	48.6
110.10460	3.1
111.08113	5.9
111.66340	2.6
117.07005	7.9
119.08591	61.8
119.96001	2.7
120.08916	4.3
121.06507	7.0
121.10146	68.1
122.10460	4.7
123.08071	6.1
123.11723	20.4
125.09624	5.7
129.06982	8.1
131.08594	19.0
133.06506	3.4
133.10130	49.1
134.10507	3.5
135.08047	13.9
135.11713	34.3
137.09619	3.8
137.13281	6.5
139.04213	3.3
143.08566	10.0
145.10138	33.2
147.08142	2.9
147.11705	38.7
148.12041	4.1
149.09621	10.1
149.13272	35.7
157.10132	17.2
159.11719	26.4
161.09593	4.2
161.13280	29.6
163.11230	9.7
163.14844	32.8
164.15143	3.6
165.12856	4.8
169.10034	4.1
171.11690	11.9
173.13278	19.2
175.11221	6.6
175.14847	38.2
176.11464	3.2
177.12721	6.1
177.16411	25.0
179.14304	3.8
183.11671	5.9
185.13287	10.5
187.14890	25.0
188.15169	4.1
189.12782	6.9
189.16432	32.9
191.14288	6.1
191.18054	20.7
199.14865	7.7
201.16373	19.8
203.14375	11.9
203.17938	46.8
205.15945	21.0
207.17441	7.5
209.13362	4.3
211.14809	4.8
213.16383	10.4
215.17963	6.1
217.15897	3.0
217.19533	6.5
219.17415	7.2
223.16908	4.6
225.16296	3.2
227.17970	4.1
229.19447	6.8
231.17494	5.1
231.21156	5.2
239.18013	3.8
245.18869	2.9
249.18631	5.2
257.22498	3.0
271.20276	3.5
321.25610	4.8
391.29681	6.6
391.34042	4.2
409.30746	13.7
409.34686	18.9
427.30157	17.9
427.35541	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	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.1
57.07065	8.1
67.05504	24.0
69.07069	22.0
69.50118	13.9
69.50524	10.5
79.05495	28.8
81.07063	41.6
83.08607	11.3
85.06538	4.8
91.05486	22.0
93.07044	53.4
95.08617	67.0
97.10153	7.0
99.08085	7.0
105.07036	45.5
107.08607	80.3
108.08926	3.6
109.10158	42.8
111.08076	6.3
112.26009	4.0
117.07001	8.1
119.08587	76.6
121.06502	6.5
121.10146	61.8
123.11720	16.7
125.09580	5.0
130.07779	4.6
131.08556	14.9
133.10149	70.2
135.08063	100.0
135.11693	38.3
137.09634	8.2
137.13248	5.2
143.08577	8.7
144.59836	3.6
145.10124	32.6
147.11714	37.8
149.09650	5.6
149.13252	35.9
151.11229	6.7
155.08501	3.6
156.09392	4.2
157.10075	8.6
158.10938	4.0
158.72212	4.0
159.11685	32.3
161.13255	21.9
163.11176	10.8
163.14835	14.4
169.10072	4.2
171.11708	10.8
173.13271	22.0
175.11244	9.8
175.14806	24.4
177.12735	15.0
177.16368	15.7
183.11641	4.3
185.13261	10.4
187.14816	27.8
189.12737	8.9
189.16379	30.0
190.13550	5.6
191.17935	11.8
199.14818	4.3
201.16457	21.1
203.14412	7.1
203.17932	31.1
205.15892	28.5
205.19502	6.0
213.16422	6.4
215.17995	6.9
349.47803	4.3
381.31104	6.7
391.33768	4.5
397.34589	31.7
399.36002	4.7
409.34930	31.2
419.63934	3.9
427.36234	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05283	1.6
55.05512	10.0
55.05751	1.9
57.07074	4.0
57.54314	1.5
64.18865	1.6
67.05505	15.8
69.07072	19.1
69.43623	1.8
69.54891	3.8
69.55302	8.1
71.05011	2.0
77.03967	1.6
79.05497	13.9
79.27357	1.5
81.07059	30.7
83.04980	2.0
83.08630	7.4
91.05487	16.8
93.07052	33.7
95.08611	63.5
97.10172	5.3
99.04431	1.7
99.08083	2.1
105.07034	42.8
105.07704	3.1
107.08600	45.5
108.08939	3.0
109.06509	2.6
109.10160	33.0
111.11771	1.9
117.07058	4.6
119.08585	33.4
119.23321	1.6
121.10143	42.6
123.11729	10.6
125.09654	2.4
127.39874	1.6
129.06996	1.9
129.93178	1.6
131.08582	12.0
133.10133	32.2
135.08076	3.7
135.11693	24.6
137.13286	3.5
143.08577	3.2
145.10133	21.0
147.08144	2.3
147.11699	28.8
149.09650	2.8
149.13281	18.1
157.10146	5.2
159.11700	20.3
161.09695	2.4
161.11142	1.8
161.13264	22.1
163.11224	5.4
163.14833	19.3
165.16492	1.7
169.10190	1.6
171.11684	4.4
173.13249	6.2
175.14824	18.8
177.12787	6.6
177.16394	18.8
179.14139	1.9
183.11719	2.6
185.13251	3.2
187.14812	13.8
189.12782	1.8
189.16405	14.8
191.17937	21.7
195.13890	9.0
197.13225	1.8
199.14824	5.1
201.16438	7.5
202.16785	2.5
203.17973	100.0
204.18161	2.0
205.15891	24.9
205.19498	3.3
213.16454	4.1
217.15997	3.5
217.19408	3.1
219.17484	7.0
223.16982	17.8
227.17906	3.0
231.17418	3.7
231.21130	4.3
318.93146	1.5
327.00916	2.0
383.88461	1.5
391.33594	4.9
409.34863	17.6
427.27786	3.3
427.36157	15.3
438.27518	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05283	1.6
55.05512	10.0
55.05751	1.9
57.07074	4.0
57.54314	1.5
64.18865	1.6
67.05505	15.8
69.07072	19.1
69.43623	1.8
69.54891	3.8
69.55302	8.1
71.05011	2.0
77.03967	1.6
79.05497	13.9
79.27357	1.5
81.07059	30.7
83.04980	2.0
83.08630	7.4
91.05487	16.8
93.07052	33.7
95.08611	63.5
97.10172	5.3
99.04431	1.7
99.08083	2.1
105.07034	42.8
105.07704	3.1
107.08600	45.5
108.08939	3.0
109.06509	2.6
109.10160	33.0
111.11771	1.9
117.07058	4.6
119.08585	33.4
119.23321	1.6
121.10143	42.6
123.11729	10.6
125.09654	2.4
127.39874	1.6
129.06996	1.9
129.93178	1.6
131.08582	12.0
133.10133	32.2
135.08076	3.7
135.11693	24.6
137.13286	3.5
143.08577	3.2
145.10133	21.0
147.08144	2.3
147.11699	28.8
149.09650	2.8
149.13281	18.1
157.10146	5.2
159.11700	20.3
161.09695	2.4
161.11142	1.8
161.13264	22.1
163.11224	5.4
163.14833	19.3
165.16492	1.7
169.10190	1.6
171.11684	4.4
173.13249	6.2
175.14824	18.8
177.12787	6.6
177.16394	18.8
179.14139	1.9
183.11719	2.6
185.13251	3.2
187.14812	13.8
189.12782	1.8
189.16405	14.8
191.17937	21.7
195.13890	9.0
197.13225	1.8
199.14824	5.1
201.16438	7.5
202.16785	2.5
203.17973	100.0
204.18161	2.0
205.15891	24.9
205.19498	3.3
213.16454	4.1
217.15997	3.5
217.19408	3.1
219.17484	7.0
223.16982	17.8
227.17906	3.0
231.17418	3.7
231.21130	4.3
318.93146	1.5
327.00916	2.0
383.88461	1.5
391.33594	4.9
409.34863	17.6
427.27786	3.3
427.36157	15.3
438.27518	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3576
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
50.85130	1.1
52.13888	0.9
53.03956	0.9
55.05496	2.9
55.85800	1.0
56.58784	1.0
57.07068	1.7
67.05502	6.9
69.07071	6.3
69.29003	8.0
72.37770	1.0
79.05504	5.1
81.07069	13.2
83.04993	1.3
83.08627	3.5
85.06541	1.1
88.11800	0.9
91.05479	4.9
93.07058	13.5
95.04972	1.0
95.08069	1.7
95.08613	21.0
97.06525	1.3
97.10155	1.3
99.08078	1.2
105.07027	14.9
107.08602	24.3
109.06529	3.1
109.10153	12.4
111.08120	1.5
117.07018	2.2
119.08589	16.8
121.06510	5.8
121.10159	15.4
123.08101	3.7
123.11723	4.2
131.08562	7.4
133.10143	13.1
135.08060	1.9
135.11691	14.9
137.09615	1.6
137.13274	2.2
138.09160	2.3
143.08617	2.0
145.10149	9.1
147.11700	12.9
149.13283	9.8
151.11200	1.9
157.10167	2.7
159.11719	5.4
161.13272	7.6
163.11169	1.1
163.14813	10.2
165.12766	1.8
171.11775	2.4
173.13287	3.9
175.11159	1.2
175.14836	4.7
177.16382	5.6
185.13338	2.3
187.14833	11.1
189.12766	1.1
189.16394	19.5
191.14313	1.6
191.18019	3.5
199.14880	2.6
201.16376	6.0
203.18008	2.4
204.91931	1.1
205.15880	39.4
207.17450	26.3
208.17761	1.0
213.16364	2.2
215.17949	5.7
217.19507	1.3
219.17447	4.1
229.19453	2.1
241.19588	2.9
255.21115	3.4
269.22757	2.7
291.23352	1.6
298.22641	1.1
331.26315	4.4
357.28088	1.6
391.33517	1.6
409.34824	9.0
427.35767	100.0
428.36215	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.2
57.07080	4.5
67.05505	16.3
69.07068	15.2
69.37981	17.4
75.19221	2.1
79.05499	15.4
81.07057	33.3
83.08630	7.5
90.58436	1.9
91.05479	18.6
93.07053	34.9
95.08612	53.2
97.06567	2.4
97.10118	2.6
98.92557	2.6
99.08099	5.8
103.59367	2.1
105.07027	31.0
107.08601	62.4
109.10163	28.3
117.07024	3.5
119.08595	39.7
121.09246	2.5
121.10144	48.8
123.11682	12.2
131.08557	13.4
133.10130	56.5
135.08057	100.0
135.11685	28.3
137.09630	4.7
137.13303	4.9
140.66226	2.3
142.07785	3.4
143.08521	3.5
145.10133	21.1
147.11696	23.8
148.06027	2.1
149.09636	5.5
149.13264	23.0
151.14832	2.3
157.10149	4.4
159.11674	17.5
160.02406	2.2
161.09659	3.9
161.13280	15.3
163.11185	9.4
163.14824	10.3
171.11694	4.3
173.13283	13.2
175.11169	8.3
175.14828	15.1
177.12773	9.4
177.16432	11.7
183.11681	2.4
185.13219	3.0
185.44547	2.3
187.14859	16.8
189.12721	4.2
189.16417	16.2
190.13615	3.8
191.14323	2.8
191.18015	6.9
199.14830	2.9
201.16380	14.4
203.14326	3.5
203.18027	22.1
205.15921	17.1
205.19484	3.2
207.17453	3.5
215.17967	5.4
219.17459	5.6
227.17998	3.5
233.18814	2.9
237.26038	2.2
253.19714	3.1
397.34625	29.9
409.34680	26.7
410.35086	3.0
427.35785	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05515	14.6
57.07081	4.5
60.43676	2.9
67.05505	20.2
69.07076	16.8
69.50295	23.3
79.05498	15.9
81.07061	42.7
83.08604	11.0
85.06528	4.7
91.05477	23.5
93.07053	53.9
95.08611	53.7
97.10200	3.4
97.93667	3.2
99.08114	9.1
105.07041	33.8
107.08605	73.7
109.06664	2.8
109.10170	30.1
111.08027	2.9
117.07048	6.9
119.08588	59.3
121.10151	54.8
123.11686	11.0
129.06950	4.1
131.08557	11.6
132.04601	2.9
133.10149	66.9
134.10442	3.2
135.08067	100.0
135.11688	34.2
137.09656	4.8
137.13290	5.1
139.11159	3.5
143.08566	8.3
145.10120	27.5
147.11705	28.9
148.12044	3.9
149.09634	6.8
149.13246	26.3
151.11214	3.9
155.08539	3.2
157.10133	7.7
159.11708	27.5
161.09561	4.9
161.13274	21.9
162.13625	3.3
163.11252	15.3
163.14807	19.9
171.11711	7.2
173.13232	13.2
175.11179	5.2
175.14854	22.4
177.12808	6.5
177.16431	18.5
185.13237	9.5
187.14833	25.5
189.12782	8.1
189.16467	23.2
190.13547	6.8
191.14372	3.5
191.17975	6.1
197.13153	3.6
199.14880	6.0
201.16483	18.8
203.14406	5.2
203.17953	22.7
205.15839	21.6
205.19478	6.8
215.17871	5.7
219.17412	6.2
227.17883	4.1
262.42276	2.9
391.33871	4.5
397.34637	31.2
409.34857	39.5
427.27527	5.4
427.36029	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.0
55.08918	3.3
57.07064	4.7
57.99508	3.4
65.68613	3.6
67.05512	33.3
67.91975	3.2
69.03418	5.3
69.07071	20.1
69.25755	20.6
69.26183	14.0
71.04954	3.5
76.47039	3.4
77.75660	3.4
79.05501	26.7
81.03416	4.4
81.07061	56.2
83.04979	6.6
83.08615	11.3
91.05502	25.0
93.07049	39.2
95.07996	4.8
95.08610	100.0
97.02827	4.0
97.10170	4.1
98.20806	6.1
99.08109	4.2
105.07032	45.5
107.08596	80.4
109.10168	61.8
115.93531	3.7
117.07027	6.0
119.08597	60.4
121.10158	61.8
123.08097	6.8
123.11732	19.0
131.08572	11.3
133.10144	43.5
135.08034	5.9
135.11705	35.0
137.09595	5.2
137.13249	7.6
143.08603	6.6
145.10135	24.7
147.11679	33.9
149.13275	25.9
151.14847	3.8
157.10178	4.6
158.10832	4.2
159.11697	18.1
161.13251	38.7
163.11189	8.9
163.14894	25.4
165.16423	4.8
171.11653	4.5
173.13264	18.9
175.14815	45.9
177.16391	27.0
179.14238	5.0
185.13252	7.0
187.14795	24.8
189.16403	27.5
191.14275	6.0
191.18013	19.3
195.13828	4.9
199.14815	9.5
201.16481	18.2
203.17979	59.0
205.15936	34.7
213.16316	4.8
215.17892	6.0
217.19513	7.3
219.17508	5.0
223.16960	14.6
229.19682	3.7
231.20937	9.0
243.20999	4.0
295.24203	7.4
313.25201	16.3
331.26260	9.3
357.27829	4.3
391.33533	9.0
409.34744	27.2
427.20007	3.8
427.35901	36.7
451.84848	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05510	12.6
57.07075	12.9
67.05510	23.8
69.07065	21.4
69.82305	10.8
69.82726	7.0
71.08645	8.4
72.04510	15.9
76.58858	3.2
79.05510	14.5
81.03382	3.2
81.07069	42.7
83.08630	11.1
85.06554	3.4
85.10170	2.9
88.02233	34.6
90.08536	2.8
91.05478	21.5
93.07047	37.0
95.04966	3.1
95.08613	61.6
97.10195	7.8
98.20830	3.9
99.08114	4.2
105.07043	30.9
107.08598	59.8
109.06506	3.9
109.10165	43.3
119.08598	45.3
121.10147	46.9
123.11693	15.9
125.09628	3.5
131.08601	8.0
133.10129	48.1
135.08072	100.0
135.11699	27.6
137.09618	4.5
137.13202	5.3
143.08553	5.5
145.10130	22.3
147.11714	27.8
149.09641	7.1
149.13264	28.3
157.10168	4.3
159.11670	19.2
161.09613	6.9
161.13347	17.4
163.11218	7.8
163.14851	13.4
165.09145	14.0
165.12807	3.4
171.11696	4.5
173.13275	9.9
175.11176	10.1
175.14809	18.6
176.21626	3.2
177.12799	14.2
177.16396	19.8
187.11191	3.3
187.14841	19.0
189.16434	13.5
191.14352	4.3
191.18005	8.8
191.50706	3.6
196.08005	3.9
201.16391	10.9
203.14340	5.0
203.18045	19.0
204.15005	4.1
205.15939	20.9
215.17958	7.3
217.19576	3.3
219.17461	6.1
245.22572	3.7
252.14252	3.8
259.24286	3.3
264.14221	6.8
282.99423	3.2
316.13721	13.5
324.70581	3.4
342.21194	3.1
372.20026	10.4
391.33575	6.4
397.34656	22.8
409.34811	31.8
427.28656	13.6
427.35776	74.1
451.32773	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	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.4
66.42681	3.5
67.05499	33.4
69.07064	21.6
70.86527	8.6
75.14098	3.7
79.05503	24.2
81.07062	44.2
83.08621	9.5
85.06554	6.3
91.05483	17.9
93.07043	46.3
95.08612	100.0
97.10236	4.8
100.60079	3.5
105.07032	40.8
107.08595	80.0
109.06556	4.1
109.10155	56.8
111.08117	6.1
119.08581	59.3
121.10154	66.7
123.08067	6.5
123.11700	15.8
131.08562	17.9
133.10124	44.5
135.08073	7.7
135.11708	40.5
137.13185	8.1
143.08629	4.7
144.09355	4.2
145.10120	20.3
147.11707	31.9
149.09537	7.7
149.13269	23.9
151.11261	4.8
157.10077	5.4
159.11690	21.8
161.13255	34.1
163.11174	6.9
163.14832	25.6
171.11601	5.5
173.13261	14.8
175.14841	45.6
177.16385	32.0
185.13300	7.9
187.14818	22.9
189.16423	29.1
191.17969	17.8
197.13228	6.0
199.14862	8.6
201.16393	16.1
203.14363	4.2
203.17950	66.8
205.15874	28.4
207.17538	5.7
213.16357	9.3
215.18016	7.7
217.15817	6.1
219.17502	5.4
223.16988	8.2
229.19531	6.0
231.17444	5.7
231.21117	7.4
239.17830	4.8
241.19342	3.8
295.23947	5.6
313.25208	15.8
331.26505	9.4
357.28027	5.6
391.33380	5.7
409.34634	15.9
427.36115	47.0
443.04205	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	427.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	21.7
57.07090	6.6
60.82169	4.0
67.05509	36.3
69.07075	29.2
69.28942	13.3
69.29353	25.1
71.04989	4.7
71.17231	4.5
79.05495	19.0
81.07065	68.0
83.08629	20.9
91.05477	26.0
93.07050	64.1
95.08611	100.0
105.07042	50.7
107.08604	63.6
109.06490	5.6
109.10163	65.1
111.08073	11.0
111.11708	5.1
117.07018	9.0
119.08581	74.7
121.06493	5.1
121.10155	70.2
123.08043	8.5
123.11760	23.5
131.08603	20.3
133.10143	60.6
135.08038	14.8
135.11685	41.4
135.94493	4.2
137.13242	6.9
143.08540	6.8
145.10135	28.9
147.11699	50.2
147.47589	4.3
149.09641	8.3
149.13283	35.2
151.11224	5.4
157.10196	6.9
159.11674	30.9
161.13254	30.7
163.11172	9.2
163.14853	30.6
165.16426	4.7
171.11693	12.1
173.13252	19.7
173.49858	4.3
175.11290	5.7
175.14845	37.0
177.12726	4.5
177.16441	27.1
185.13278	11.4
187.14824	25.4
189.16336	34.0
191.14267	5.5
191.18011	39.9
193.15887	6.1
199.14914	7.7
201.16397	22.9
203.17952	86.5
205.15891	24.7
205.19669	5.6
207.17490	4.6
213.16423	16.6
215.17961	6.2
217.19470	6.9
219.17430	9.3
223.16907	11.6
229.19556	5.3
231.17470	10.6
231.21053	9.7
237.18365	4.7
245.18990	6.4
245.22620	6.0
249.18471	8.2
309.75204	4.3
391.33691	9.7
409.34937	34.4
427.16888	24.6
427.36389	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27534	2.4
53.03939	3.1
55.05510	12.7
57.07061	3.5
60.58312	2.1
63.18987	2.3
67.05499	18.4
69.07064	19.5
69.46580	17.8
69.46907	4.4
71.04996	2.1
77.20792	2.3
79.05503	28.2
81.07048	34.8
83.08621	10.2
86.09708	65.0
91.05482	23.1
91.53772	2.1
92.58150	2.2
93.07044	40.4
95.08611	87.9
99.08096	4.4
105.07039	46.5
107.08596	94.3
109.06482	2.7
109.10159	53.1
111.08080	3.4
115.89415	2.8
117.07039	5.8
119.08588	51.8
121.10148	51.4
123.11706	17.2
131.08548	13.6
133.10138	48.5
135.11694	29.5
137.13272	4.8
143.08574	5.1
145.10136	20.9
145.33594	2.3
147.11697	37.3
149.09665	4.3
149.13283	22.8
157.10179	6.9
159.11726	19.2
161.13266	27.7
163.11223	7.3
163.14839	27.0
165.16434	3.0
169.74786	2.4
171.11644	6.1
173.13263	8.4
175.14809	31.6
177.12801	5.9
177.16376	22.3
183.11699	2.6
185.13310	5.9
186.14905	44.5
187.14810	20.4
189.16389	19.6
191.14314	4.7
191.17967	9.0
195.13857	6.8
197.13278	3.4
199.14888	6.8
201.16394	10.3
203.14256	4.9
203.17963	100.0
204.14607	2.7
205.15906	37.2
205.19565	2.5
213.16409	4.0
214.14397	10.8
215.17931	6.7
217.16093	3.3
217.19516	2.9
219.17401	4.7
223.16934	27.7
227.17854	3.2
231.17416	4.1
231.21103	5.3
241.19597	3.0
264.09613	2.2
267.21140	2.9
295.24252	3.2
313.25134	5.8
313.90912	2.4
314.19833	5.6
361.57278	2.7
391.33847	4.7
399.28366	3.6
409.34814	21.7
427.36032	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05960	2.9
54.75052	3.3
55.05502	8.7
57.07067	5.4
67.05508	19.0
69.07082	17.2
69.19454	34.0
77.42471	3.1
79.05501	17.2
81.07070	45.7
81.38642	3.2
83.08617	6.5
85.06539	4.1
87.26909	3.1
91.05476	14.7
93.07044	36.6
95.08611	54.5
98.21622	5.8
101.95945	3.4
105.07036	26.3
107.08601	63.3
108.77817	3.3
109.10175	34.7
116.62758	3.1
119.08598	48.4
121.10146	53.0
123.08053	6.0
123.11693	12.5
131.08563	9.3
132.11024	3.6
133.10152	52.3
135.08060	100.0
135.11710	29.2
137.13223	4.9
145.10103	23.6
147.03737	3.2
147.11702	28.1
149.09531	5.2
149.13261	25.6
151.11163	3.7
159.11720	22.2
161.13266	20.8
163.11220	7.9
163.14818	19.5
165.40436	3.1
171.11674	3.7
173.13263	11.6
175.11183	6.5
175.14798	19.7
177.12712	8.3
177.16396	12.3
187.14774	18.6
189.16422	18.7
190.13510	5.1
191.17944	10.1
199.14847	4.7
201.16402	12.5
203.17923	22.8
204.14986	3.8
205.15916	16.0
205.19551	4.0
207.17442	7.5
211.14792	3.2
215.18005	5.8
217.19595	3.5
219.17441	9.4
233.19211	3.7
258.70190	3.0
284.26865	3.6
397.34613	23.0
404.81866	3.6
409.34775	30.6
427.35782	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87374	2.7
55.05519	14.7
57.07083	6.0
59.78392	2.8
64.79557	3.7
66.03075	2.6
66.26429	2.6
67.05504	19.5
69.07068	24.1
69.39102	13.3
69.39533	9.4
70.93375	3.0
71.08633	2.5
79.05502	21.3
81.07069	42.2
83.08628	15.0
91.05494	14.4
93.07049	33.5
95.08617	65.1
97.10192	3.2
99.08105	6.6
105.07041	33.0
107.08602	70.6
109.10165	53.3
111.08078	4.7
117.07030	7.9
119.08591	56.4
121.06541	3.3
121.10162	51.9
123.11716	23.8
125.09637	32.3
129.07008	4.4
131.08595	19.6
133.10135	32.9
135.08086	5.3
135.11697	38.5
137.13274	10.1
143.08563	11.9
145.10127	32.0
147.11728	30.2
149.13280	15.4
151.14821	8.7
157.10162	12.5
159.11728	20.8
161.13248	19.4
163.14839	19.6
165.12733	4.7
165.16472	7.8
169.10161	5.8
171.11656	8.1
173.09590	3.5
173.13269	25.3
175.14795	24.3
177.16408	19.2
177.17676	2.8
181.15891	4.9
183.11664	6.9
185.13313	15.7
187.14883	17.0
189.16389	13.1
191.14328	7.0
191.17920	22.1
193.15857	4.9
197.13326	4.2
199.14818	19.8
201.12749	3.1
201.16403	37.7
203.14371	5.5
203.17981	10.8
205.15912	5.0
211.14798	5.8
213.16423	11.6
215.14363	4.7
215.17880	4.7
217.15941	7.6
219.17418	3.3
225.16455	3.8
227.17917	6.3
233.15375	3.9
239.18117	4.8
241.19592	5.8
243.20561	3.4
245.15443	13.5
247.17004	8.8
253.19574	4.0
259.16989	3.6
263.16418	4.2
273.18674	3.9
279.21237	4.8
309.25644	7.9
311.23810	3.5
357.82513	3.4
363.30429	7.3
381.31549	34.0
399.32858	3.1
409.30789	21.2
427.32083	100.0
428.32706	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.7
57.07039	4.5
57.92810	2.2
67.05502	14.7
69.07063	17.2
70.69982	5.8
79.05499	14.4
81.07059	27.8
83.05005	2.4
83.08613	8.7
91.05479	15.0
93.07050	28.5
95.08616	59.7
97.10110	2.9
105.07033	47.4
106.07330	3.0
107.08595	48.9
109.06487	4.0
109.10147	30.5
111.08070	4.0
117.07003	2.9
119.07765	1.6
119.08573	38.5
121.10147	54.2
123.08045	3.0
123.11686	12.1
131.08565	9.3
133.10139	30.1
135.08084	4.0
135.11693	24.4
137.13216	3.8
145.10130	18.3
145.57220	2.2
147.11694	37.0
149.09601	4.9
149.13264	16.2
157.10188	2.8
159.11676	19.7
160.12161	2.2
161.12007	3.1
161.13257	22.7
163.11200	4.6
163.14853	16.6
165.12758	3.0
171.11739	2.2
173.13258	4.5
175.14806	19.8
177.12737	4.2
177.16408	17.0
187.14819	10.0
189.16388	14.3
191.17967	37.2
195.13837	5.2
201.16379	13.5
203.17969	100.0
204.18323	2.9
205.15878	17.2
213.16324	3.7
215.17897	2.5
219.17458	12.9
223.16978	16.4
229.19458	2.8
231.17511	4.3
231.20926	4.3
272.69186	2.4
377.94101	2.3
384.14191	4.5
391.33667	4.9
399.16852	2.7
409.34705	18.5
409.67258	2.2
411.16525	3.3
427.14551	19.5
427.19949	8.2
427.35565	15.4
428.16150	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	427.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11729	0.3
50.78373	0.2
55.35415	0.2
56.76497	0.2
57.04562	0.6
64.36094	0.2
70.06581	0.2
71.05564	0.3
80.26151	0.3
85.02934	0.3
94.04056	1.2
119.03558	0.3
123.04417	0.5
123.06683	0.9
133.05141	0.4
139.03912	0.6
150.07756	100.0
151.08145	0.5
203.03334	0.3
213.05345	0.4
217.01268	0.3
245.00812	0.3
257.00543	0.2
260.03177	0.5
282.12021	0.7
285.00366	0.2
287.05450	0.5
295.11511	18.5
296.11829	0.3
297.04300	0.3
325.03592	0.4
353.03058	0.4
381.02573	0.7
399.03122	0.3
399.56097	0.3
409.01904	0.7
427.02896	3.3
427.19504	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	427.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.8
57.07068	4.5
67.05509	18.5
69.07067	20.3
70.72034	7.7
79.05505	16.4
81.07066	38.2
83.08620	10.3
85.06532	3.5
91.05490	36.6
93.07045	43.1
95.04967	11.7
95.08608	57.6
95.99567	3.7
97.06511	5.1
97.10201	5.1
99.08089	12.5
105.07040	66.0
107.08607	74.5
109.06490	5.2
109.10168	54.3
111.08073	7.1
117.06998	11.9
119.08585	66.0
120.60337	3.2
121.06522	8.7
121.10142	54.2
123.08064	9.2
123.11692	16.3
128.06194	5.2
129.07018	14.6
130.07794	3.4
131.08569	38.6
133.06508	4.9
133.10147	50.4
135.08046	6.5
135.11707	31.9
137.09619	7.0
137.13234	4.7
139.11166	6.7
141.07013	5.5
142.07689	4.4
143.08591	22.8
144.09280	4.1
145.10135	44.1
147.11703	32.0
149.09624	6.4
149.13239	18.8
151.11174	12.0
153.12727	6.9
154.07747	3.4
155.08531	7.9
155.99568	2.9
156.09198	3.3
157.10136	14.3
158.10928	5.5
159.11708	28.1
161.09669	3.6
161.13316	22.8
163.11197	9.6
163.14862	29.7
169.10175	16.1
171.11697	23.2
173.13284	55.6
175.11189	4.2
175.14845	23.5
177.12749	8.9
177.16373	15.7
179.00853	3.1
181.10199	5.6
183.11719	18.2
185.09636	4.4
185.13271	19.9
187.11208	5.7
187.14847	43.5
189.12747	33.9
189.16379	8.3
191.14308	9.9
195.11902	7.0
195.13808	10.6
197.13310	12.8
199.11137	3.5
199.14833	15.1
201.16388	13.6
203.14357	8.2
203.18018	6.8
205.15894	60.3
207.17542	3.5
209.13223	4.2
211.14861	5.4
213.16402	14.7
215.17917	6.7
217.15840	3.8
219.11725	4.3
219.17473	6.1
223.14961	7.0
223.16919	30.5
225.16417	5.3
227.18028	8.3
229.19566	6.9
231.17357	5.2
237.16476	7.8
239.17999	11.2
243.17435	9.2
247.20641	4.2
253.19498	4.8
257.18985	6.7
259.20587	4.4
279.21033	3.6
283.20551	3.8
289.19495	4.1
293.22592	4.7
319.22894	10.2
337.25198	5.1
355.26300	7.8
373.28912	12.3
391.25772	4.8
391.29968	37.6
409.31161	44.5
427.32330	100.0
441.92838	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.103
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
53.03963	0.9
55.01878	5.7
65.03941	1.7
67.05498	1.7
68.61134	1.0
68.99784	5.8
69.03446	1.7
70.06576	1.1
71.01304	1.0
71.44939	1.1
72.08147	1.9
79.05511	1.8
81.03419	2.7
83.01344	2.2
83.04993	1.8
85.02923	2.1
89.03921	1.3
91.05475	1.9
95.04961	2.9
97.02885	2.3
98.97572	1.4
105.03391	1.5
105.04546	1.1
107.04995	2.2
109.02885	1.0
111.00813	3.5
111.04458	4.4
115.05504	0.9
119.04941	1.0
120.08107	0.9
121.02887	3.1
123.04446	51.4
127.03925	3.3
128.06197	1.0
129.07016	1.5
131.04962	1.3
133.06485	1.0
135.04420	15.6
135.08046	1.2
137.02347	2.2
137.05983	2.7
139.03918	100.0
139.75073	1.1
141.07042	1.1
145.02768	1.1
145.06398	1.2
147.04375	6.7
149.02364	2.5
150.07768	27.7
151.03914	6.0
153.01819	2.3
153.07030	1.8
157.02815	1.0
157.06563	2.0
159.04465	1.8
161.02335	1.5
161.05986	4.6
163.03940	27.5
165.01691	1.0
165.05518	5.8
167.03439	10.8
169.01350	4.3
169.06636	1.4
169.85745	0.9
171.04492	2.6
173.02554	1.5
173.06030	2.6
175.03914	7.2
175.07498	1.1
177.05513	4.1
179.03407	8.5
181.06474	1.5
185.06003	2.3
187.03940	4.3
189.01859	2.8
189.05516	4.0
191.03410	24.6
191.05090	1.4
193.05009	8.9
197.05957	2.4
199.03874	2.0
201.01930	1.0
201.05486	8.4
203.03412	17.4
203.07329	1.3
203.56384	1.0
205.05046	3.2
209.00797	1.1
213.05530	4.5
215.03366	2.0
215.07191	1.0
217.01448	1.9
217.05034	3.4
218.02167	1.2
229.01572	1.5
229.04987	11.1
230.05719	1.1
231.06636	1.5
233.04459	10.9
237.05458	1.6
241.05067	4.9
243.06490	1.9
245.00919	2.8
245.04507	10.4
247.06044	17.7
247.13202	1.1
251.05585	2.8
253.04892	1.5
255.06494	4.8
257.00833	1.7
257.04486	19.0
258.05124	1.6
259.02353	1.6
259.06039	11.7
260.03201	4.4
261.03888	1.5
265.14539	2.3
269.04568	5.3
271.06067	3.6
275.05530	26.5
283.06015	13.5
287.05533	53.1
289.07092	4.5
295.11584	3.7
297.04175	4.8
299.05557	4.8
301.07117	11.3
322.92661	1.2
325.03513	3.4
337.03497	1.2
343.04514	1.3
353.02975	3.2
357.02643	1.8
371.03970	3.4
381.02344	15.2
391.08005	1.6
399.03226	1.5
409.02048	10.7
409.09229	19.6
410.02499	1.9
427.03018	32.5
427.10083	2.3
427.19693	3.7
428.03317	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05517	9.9
57.07070	4.7
67.05505	15.6
69.07064	19.8
69.54912	7.4
69.55315	4.3
79.05496	7.7
81.07058	31.4
83.08614	5.8
91.05479	6.5
93.07057	20.1
95.08611	63.9
97.06569	2.1
97.10139	3.1
103.16904	2.0
105.07042	13.8
107.08599	34.1
109.10153	44.9
111.11712	4.2
117.06993	2.6
119.08576	18.8
121.10159	31.1
123.08064	3.3
123.11705	14.3
131.08557	4.3
133.10150	20.2
135.11673	26.0
137.13254	13.9
145.10173	6.2
147.11697	13.6
149.13251	13.1
155.92940	2.0
159.11703	8.6
161.13223	14.5
163.14830	13.7
165.16429	1.9
173.13275	5.6
175.14853	7.8
177.16391	8.2
185.13318	2.7
187.14854	5.6
189.16371	6.4
191.17902	17.2
201.16399	6.0
203.17996	12.5
205.19542	9.2
207.17345	4.0
215.18045	7.5
217.19545	7.5
229.19565	4.4
231.21141	4.0
241.19461	2.5
243.21114	5.1
245.22675	7.8
247.20537	13.1
261.22083	4.6
271.24228	4.6
273.25742	2.2
283.24524	2.7
407.36603	15.8
425.37796	100.0
426.37930	2.2
434.56137	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.05517	18.4
57.07071	6.4
65.03927	2.5
67.05508	27.3
69.07071	31.6
69.84898	4.4
69.85298	3.1
71.08631	1.6
79.05494	19.5
80.05852	1.7
81.07059	59.5
83.04961	2.4
83.08622	14.3
85.06540	2.2
91.05473	21.5
93.07047	56.3
95.04998	2.0
95.08611	100.0
97.10180	9.3
99.08108	10.7
105.07037	51.5
107.08598	90.3
109.06519	2.5
109.10165	64.8
111.08080	5.2
111.11699	1.8
117.07021	6.4
119.08582	67.6
121.10146	69.6
122.10493	1.7
123.08054	2.9
123.11713	32.8
125.09652	3.7
127.07562	2.3
128.06255	1.8
129.06989	2.8
131.08574	21.7
133.10132	50.8
135.08084	3.2
135.11702	69.5
137.09634	2.9
137.13264	17.9
139.11203	2.8
143.08589	8.1
144.09312	3.4
145.10133	32.7
147.11696	43.7
149.09581	2.6
149.13258	38.9
149.14401	2.6
151.11169	2.7
151.14821	3.1
155.08545	2.0
156.09412	2.4
157.10175	11.4
158.10896	3.1
159.11687	31.7
161.13263	36.4
162.13667	1.5
163.11180	1.9
163.14828	41.4
165.12743	4.3
169.10185	3.0
170.10736	1.5
171.11703	10.2
172.12396	1.9
173.13278	19.3
174.13939	2.1
175.11272	4.8
175.14847	22.8
177.12811	3.3
177.16403	15.6
179.14352	6.9
181.10228	1.9
183.11717	2.0
183.42744	1.7
185.13237	9.4
187.14825	29.3
189.12769	1.7
189.16399	31.4
191.14388	3.8
191.17955	26.5
193.15869	2.2
197.13232	2.4
199.14841	11.7
199.83707	1.6
201.12665	1.6
201.16393	47.3
202.16826	1.9
203.14302	4.5
203.17960	29.7
205.15865	18.7
205.19490	9.6
207.17484	5.4
211.14807	3.2
213.16454	7.8
215.14427	2.6
215.17978	11.6
217.15848	4.6
217.19518	28.1
219.17429	6.2
219.20946	2.9
223.16914	2.0
227.17923	4.0
229.15794	2.0
229.19466	7.4
231.17436	5.3
231.21127	5.0
233.19040	3.5
239.17952	2.3
241.19516	3.1
243.21027	4.3
245.18987	3.3
245.22685	10.7
253.19531	1.8
255.21063	4.0
257.22675	2.2
259.24249	2.1
269.22568	2.9
271.24286	3.3
273.25790	1.8
283.24203	1.8
285.25775	4.0
291.44272	1.6
301.21902	1.8
309.25821	1.8
353.28418	2.5
379.29816	1.7
389.32190	3.8
395.33203	2.4
407.32074	13.2
407.37766	14.0
408.45096	1.9
410.57663	1.6
425.33731	39.1
425.37842	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.74993	2.6
55.05515	20.4
55.79022	2.9
57.07075	15.8
63.64183	2.6
65.03927	3.4
67.05509	36.9
67.20420	2.9
67.56857	3.1
69.06750	2.9
69.07077	50.0
71.04991	6.9
71.08618	5.4
71.50655	4.0
79.05135	2.8
79.05508	27.0
81.07062	97.1
83.08614	17.1
89.06017	3.4
91.05474	20.0
93.06501	3.5
93.07048	51.1
95.08615	100.0
96.21672	2.9
97.10153	7.1
105.07040	35.8
107.08605	64.8
109.10165	68.1
111.08090	4.6
111.11743	7.1
117.06991	4.8
119.08582	48.0
121.10154	55.5
123.11720	41.6
125.09663	4.0
127.11184	9.1
129.06950	3.0
131.08553	12.1
133.10130	38.6
135.11700	45.5
137.13242	12.9
139.11174	3.6
143.08554	7.3
145.10138	27.2
146.10406	3.1
147.11688	43.2
149.13268	36.0
151.14767	4.2
157.10121	10.2
159.11693	26.9
160.76979	3.5
161.13231	29.7
163.14825	24.6
169.10106	3.5
171.11710	8.2
173.13255	19.1
175.14877	23.8
177.16414	19.7
183.11615	3.0
184.07332	4.8
185.13214	5.3
187.14836	17.4
189.16393	23.4
191.17946	13.7
193.16005	3.5
195.17406	6.1
199.14787	7.7
201.16447	18.4
203.17990	16.7
211.14761	3.2
213.16342	7.3
215.17932	14.9
217.19490	17.0
227.18024	3.9
229.19519	13.5
231.21016	9.4
241.19563	4.8
243.21065	4.0
247.20618	3.6
257.22592	8.5
259.24176	4.6
271.24240	5.6
283.24100	5.7
285.25784	4.5
289.25262	3.8
310.62122	2.8
315.26529	3.2
407.37061	21.4
425.33371	13.7
425.38370	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	425.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68317	3.8
51.23568	4.5
52.51145	4.7
53.20019	3.6
55.05511	16.9
57.07081	10.0
67.05508	46.0
69.07076	45.3
69.85629	20.1
71.08607	5.6
79.05500	14.7
81.07066	71.2
83.08631	17.2
86.09708	10.4
87.47046	3.6
89.06001	6.3
91.05489	15.5
93.07047	49.4
95.08617	100.0
97.10203	6.8
104.58746	3.7
105.07014	29.5
107.08605	64.9
109.10162	77.4
111.11727	5.8
117.07027	6.0
119.08592	42.3
121.10169	57.2
123.11739	34.0
125.13257	4.0
131.08575	11.4
133.10133	33.8
135.11697	38.9
137.13261	20.6
143.08545	5.9
145.10146	17.8
147.11674	31.5
149.13293	33.6
157.10085	6.4
159.11670	22.8
161.13245	24.6
163.14835	30.8
164.76205	5.0
169.79083	5.3
171.11768	8.7
173.13289	20.7
175.14799	19.9
177.16396	14.8
184.07378	14.9
185.13272	15.2
187.14841	19.3
189.16431	19.4
191.17972	17.5
199.14905	9.3
201.16425	13.3
203.14362	10.8
203.17920	10.6
204.44630	4.6
205.19516	7.8
207.17451	6.2
215.17982	13.1
217.19366	8.4
229.19571	5.9
231.21129	8.0
239.14880	5.1
241.19577	6.5
243.21051	13.2
245.22652	15.6
255.21106	9.6
257.22617	8.0
259.24539	5.4
261.22092	4.6
269.22623	6.9
271.24350	8.3
283.24393	5.7
285.25778	7.0
311.27496	4.5
329.28613	10.2
407.37027	22.9
425.21536	5.2
425.33582	29.0
425.38797	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
54.27687	2.3
55.05506	9.1
56.50102	2.0
57.07072	10.5
57.58218	2.3
60.08158	3.7
60.53668	1.9
61.73009	2.2
67.05508	29.8
69.07078	25.3
70.07465	2.2
71.08619	4.2
72.08156	7.6
75.81274	2.3
79.05505	14.1
81.07062	68.7
83.08619	14.7
86.09710	9.8
88.11276	3.3
89.06051	4.6
91.05457	12.2
93.07053	30.0
95.04970	3.5
95.08610	100.0
97.06551	3.1
97.10181	5.3
99.08073	3.9
105.07021	21.7
107.08604	43.4
109.06477	3.8
109.10157	54.0
109.10851	4.0
111.08098	4.8
111.11697	2.2
112.32875	2.4
119.08585	27.0
121.10156	44.7
123.11712	25.1
125.00032	6.9
125.09660	3.0
131.08554	5.6
133.10144	23.4
135.08063	5.6
135.11708	28.4
137.09660	3.3
137.13263	51.7
141.55522	2.1
143.08592	6.1
145.10147	17.2
147.11705	20.8
149.13258	22.2
151.11139	3.5
151.14925	2.6
153.12804	2.7
157.10149	5.3
159.11728	13.9
161.13245	11.1
163.11174	3.5
163.14825	13.4
165.09218	3.1
165.12708	3.0
169.10266	2.8
171.11717	4.5
173.13284	8.8
175.14825	12.0
177.12747	3.7
177.16412	10.0
179.14297	3.1
179.18031	4.3
184.07352	29.0
185.13312	7.1
187.14839	10.0
189.12720	2.9
189.16414	10.9
191.17979	11.6
196.88278	2.7
199.14882	3.7
201.16411	10.4
203.14397	15.0
203.17953	10.9
205.15921	8.4
205.19588	8.9
207.17496	4.7
213.16348	5.4
215.18013	4.6
217.15915	2.9
217.19557	8.0
219.21086	7.8
227.17986	5.1
231.17441	8.4
233.18942	2.7
239.14882	3.7
240.73259	2.2
245.19063	12.9
253.19753	2.6
255.21230	4.2
273.22125	3.4
356.63412	2.3
407.32593	4.9
407.37054	6.2
425.33026	53.7
425.38098	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04122	2.3
53.03941	4.6
53.85291	2.1
55.05514	19.6
57.07082	15.0
67.05509	37.5
69.07069	39.0
69.14393	2.9
69.14791	23.8
71.08629	7.6
79.05499	21.4
81.06596	4.6
81.07060	72.0
83.04962	4.0
83.08624	18.8
89.06027	2.8
91.05479	15.2
93.07052	47.8
95.08615	100.0
97.10162	11.1
105.07045	30.2
107.08598	73.4
109.06538	5.5
109.10163	84.2
109.10750	2.0
111.11730	7.8
117.07017	4.6
119.08595	48.4
121.09347	3.6
121.10160	55.4
123.08083	6.7
123.11715	31.9
125.09619	5.8
129.06975	4.4
130.87852	2.3
131.08594	12.9
133.10130	38.8
135.08037	8.5
135.11702	36.5
137.09608	4.7
137.13226	13.6
139.11137	4.2
143.08565	7.7
145.10159	21.6
147.11691	30.6
149.09557	2.6
149.13278	30.9
151.11166	3.8
157.10144	8.2
158.90253	2.4
159.11708	21.4
161.09668	3.3
161.13300	21.5
163.11203	8.0
163.14813	30.4
165.12778	4.9
171.11691	8.8
173.13260	18.6
175.11156	5.6
175.14856	16.8
177.12709	5.7
177.16434	11.8
183.11674	3.8
185.13248	7.5
187.14880	14.5
189.12785	4.9
189.16393	15.7
191.17943	13.9
192.72534	2.3
193.19511	4.4
199.14775	4.5
201.16371	9.9
203.14331	8.4
203.18019	13.1
205.15889	15.8
205.19528	9.5
207.17424	3.7
213.16389	9.6
215.17953	7.1
217.15913	3.0
217.19589	8.2
219.17450	4.1
219.21101	16.7
221.53656	2.2
227.17923	5.4
229.19450	5.2
231.17429	23.3
239.18062	2.9
243.17410	4.1
243.21237	2.9
245.19037	4.5
253.19614	3.1
255.21097	14.4
256.35718	2.4
257.19034	5.6
257.22574	3.4
261.18604	5.6
269.22668	3.4
271.20557	8.9
271.23965	2.8
273.25772	2.7
287.27258	4.0
291.73965	2.7
299.23703	6.4
299.26883	2.6
311.26962	2.7
343.30157	3.4
389.32507	2.8
407.32736	9.4
407.36908	10.3
425.33240	15.8
425.38486	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20033	2.3
53.03956	3.9
53.27350	2.3
54.76017	2.1
55.05509	16.7
57.07074	9.4
63.41396	2.5
65.03934	3.4
67.05510	28.3
69.07071	28.5
70.63496	8.2
77.03929	2.8
79.05501	21.1
79.06152	2.5
81.07063	57.3
83.08625	8.7
85.06525	4.2
88.95999	2.2
91.05486	17.9
92.18474	2.1
93.07048	53.1
95.08615	100.0
97.10177	6.3
99.08102	9.2
105.07036	40.8
107.08601	82.7
109.06500	4.0
109.10166	60.7
117.07005	7.3
119.08594	63.4
121.10149	65.7
123.11713	30.5
125.09655	3.4
127.07548	2.9
131.08554	15.5
133.10146	46.2
135.08043	3.0
135.11700	70.9
137.13271	16.1
143.08566	8.3
145.10139	27.7
147.11682	42.3
149.13264	30.0
157.10133	8.4
159.11713	26.7
161.13269	35.5
163.11166	3.9
163.14827	40.3
171.11662	7.2
173.13310	17.6
175.14790	27.4
177.12804	2.9
177.16415	18.4
179.14349	9.6
185.13251	10.4
187.14841	25.4
189.16394	29.5
191.14417	3.4
191.17938	29.7
197.13257	4.2
199.14815	9.1
201.16389	36.4
203.14369	5.4
203.18001	30.8
205.15973	11.8
205.19530	8.6
207.17461	4.3
213.16394	8.8
215.17978	17.5
217.15862	2.7
217.19536	26.2
219.17480	9.2
225.16397	3.8
227.17883	3.7
229.19534	4.5
243.21208	4.5
245.22725	17.0
247.20647	2.9
255.21176	4.5
257.22513	3.0
259.20691	2.5
262.16858	2.7
269.22589	3.1
271.24097	3.5
285.25775	3.9
407.32959	11.5
407.37015	10.9
425.33636	27.1
425.38760	64.2
426.38193	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01855	2.0
55.05518	21.1
57.03431	2.2
57.07066	7.0
59.05003	1.9
62.35843	1.9
67.05518	23.8
69.03404	2.9
69.07074	29.5
71.04982	3.1
71.08631	2.6
73.06598	2.2
79.05502	30.8
81.03403	2.0
81.06596	3.3
81.07066	58.3
83.04990	13.8
83.08629	12.2
85.06528	4.0
91.05489	32.1
93.07051	66.0
95.04958	11.1
95.08617	72.6
97.06535	5.5
97.10154	4.7
98.21523	6.8
99.08084	7.7
105.07040	72.0
107.08604	100.0
109.06516	6.4
109.10164	50.5
111.08081	3.9
111.11687	2.1
115.05495	2.9
117.07037	14.0
119.08594	93.2
121.06499	3.6
121.10158	68.6
122.10534	2.7
123.08067	8.4
123.11715	22.0
125.09610	5.8
129.06989	7.4
130.07790	3.5
131.08577	33.0
132.59482	1.9
133.10146	72.4
135.08087	8.3
135.11702	40.4
137.09630	7.0
137.13202	5.3
139.11189	4.8
141.06964	2.1
142.07765	3.7
143.08565	13.7
144.09363	4.3
145.10129	64.1
147.08110	3.4
147.11707	57.3
149.05974	5.4
149.09583	4.9
149.13274	36.7
151.11194	5.5
155.08539	5.2
156.09367	2.5
157.10136	20.8
158.10945	3.0
159.11731	46.4
161.09651	4.2
161.13287	33.3
163.11229	10.6
163.14859	30.8
165.12761	3.1
169.10156	5.8
170.10844	2.9
171.11719	16.4
172.12315	2.9
173.13277	33.4
174.14020	2.3
175.11162	6.8
175.14822	37.4
177.05536	6.0
177.12773	8.5
177.16373	24.0
181.10065	2.0
183.11708	8.9
185.13245	13.7
187.11176	2.9
187.14844	45.3
188.15253	2.9
189.12761	3.5
189.16440	30.8
191.14320	7.8
191.17938	6.0
193.15950	3.0
197.13239	6.0
199.14798	15.0
201.12672	2.0
201.16400	57.2
203.07088	2.4
203.14296	7.8
203.17995	33.9
205.15904	40.8
207.17407	5.9
209.13289	4.5
211.14816	5.5
213.16461	8.0
215.14357	4.7
215.17961	13.9
217.15891	9.1
217.19571	6.3
219.17422	15.6
221.13457	3.3
221.15440	7.5
221.19086	2.4
223.14841	2.7
223.16977	6.1
225.16405	4.4
227.17944	9.8
229.19493	5.2
231.17581	3.5
231.20935	2.0
233.18958	3.2
237.16379	5.6
239.17900	3.6
243.17540	3.4
243.21164	2.9
245.19069	3.9
251.17894	2.4
253.19713	2.5
255.21089	6.8
257.19028	2.6
267.17538	1.9
267.20935	2.4
269.22870	2.8
273.22147	2.7
281.22675	1.9
283.20615	3.1
289.05322	3.9
295.24179	3.2
311.23849	2.5
367.29800	7.9
389.31747	5.7
395.33286	5.0
397.34796	3.3
407.33273	35.5
425.17725	7.4
425.34467	85.2
426.34476	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	425.342
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.32140	1.5
53.03959	3.8
55.05523	12.6
57.07075	2.8
67.05524	16.9
69.03429	4.0
69.07073	20.5
71.49120	2.9
77.03976	2.7
79.05502	16.9
81.07063	41.0
83.04974	1.7
83.08631	7.2
85.06552	1.7
91.05492	16.9
93.07052	39.6
95.04975	10.0
95.08612	69.3
97.06552	4.0
97.10184	5.1
105.07041	45.7
107.08607	56.8
108.09003	2.5
109.06546	3.5
109.10162	37.7
111.08099	2.0
117.07040	5.6
119.08598	45.8
120.08981	1.8
121.06511	8.1
121.10149	39.0
123.08109	5.3
123.11728	10.3
125.09669	3.3
128.06200	2.0
129.06998	2.7
131.08578	26.7
133.10144	36.9
135.08083	5.4
135.11693	21.1
137.09648	2.8
137.13232	1.5
143.08600	7.3
145.10132	27.5
146.10506	4.2
147.08112	3.6
147.11708	23.8
149.06039	4.0
149.09628	3.8
149.13275	27.9
155.08598	2.1
156.09378	3.0
157.10097	9.7
158.10956	1.7
159.11697	20.0
161.09586	8.1
161.13332	18.2
163.11201	13.1
163.14835	36.6
164.15195	2.0
169.10158	4.1
171.11661	8.0
173.13293	26.6
175.11247	6.3
175.14841	23.8
177.05560	2.6
177.12825	4.5
177.16425	21.8
179.14235	2.1
183.11678	1.8
185.13292	7.8
187.11211	1.8
187.14847	21.6
188.15273	3.0
189.12872	3.3
189.16464	17.7
191.14320	41.5
191.16202	2.6
191.17958	14.7
192.14732	2.5
193.10481	1.8
193.12175	8.3
197.13100	2.0
199.14880	6.1
201.12839	5.0
201.16414	9.9
202.16830	2.3
203.07199	1.7
203.14417	13.7
203.17973	100.0
205.15903	4.7
205.19676	2.5
211.14935	2.0
213.16426	6.7
215.18053	6.2
217.15961	7.1
217.19591	5.5
221.15417	17.7
223.14912	2.4
225.16431	3.7
227.18074	4.0
229.16052	4.1
229.19577	3.1
231.21156	4.7
235.17017	4.7
237.16199	2.3
239.18132	2.2
243.17517	4.5
247.16884	2.9
263.16431	2.0
347.27405	2.3
358.28827	1.8
361.28860	2.0
365.28430	2.1
377.15060	1.9
389.32159	3.6
395.33246	5.1
407.33093	15.3
425.16464	2.5
425.25421	3.9
425.34293	81.2
426.34549	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	425.3414
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03953	2.0
55.05513	16.2
57.07074	5.6
57.72178	1.5
59.04997	2.7
65.03951	1.6
67.05512	25.0
69.07072	23.8
70.71038	3.9
71.05001	2.2
74.44054	1.5
79.05496	23.3
81.07063	40.1
83.04996	2.3
83.08623	12.4
91.05486	28.8
93.07048	58.8
95.04958	2.4
95.08615	77.6
97.06561	2.2
97.10165	2.0
99.08093	16.2
103.05466	2.1
105.06316	3.0
105.07036	66.7
107.08601	87.3
109.06553	2.6
109.10162	42.0
111.08097	3.1
111.11691	1.7
115.05482	1.7
117.07033	8.2
117.42580	1.5
119.08588	96.9
121.06520	3.6
121.10152	67.9
123.08078	5.1
123.11736	12.3
125.09636	2.5
129.07004	4.4
131.08577	41.6
133.10144	56.9
135.08081	6.9
135.11699	41.5
137.09610	4.8
137.13290	4.4
139.11235	2.3
139.52194	1.7
142.07820	2.9
143.08542	10.9
144.09323	3.0
145.08942	1.8
145.10130	66.1
147.11696	78.2
149.09610	4.1
149.13261	34.9
151.11198	5.3
151.14757	2.3
156.09360	2.1
157.10130	16.9
158.10898	5.9
159.11697	48.5
161.09636	3.8
161.13263	29.0
163.11185	15.7
163.14835	23.2
165.12737	2.6
169.10144	2.8
170.10893	3.1
171.11708	13.0
172.12508	2.1
173.13269	34.2
174.14018	2.7
175.11217	4.4
175.14838	34.9
177.12767	5.8
177.16391	27.6
183.11703	7.5
185.13271	19.9
187.14833	76.5
188.81839	1.9
189.12868	1.7
189.16382	30.4
191.14371	5.9
191.18015	5.2
195.11873	2.5
195.13867	3.1
197.13315	3.4
199.14803	15.3
201.16397	100.0
203.14348	5.1
203.17984	30.7
204.18225	1.7
205.15886	52.8
207.17450	8.8
211.14864	4.6
211.34805	1.6
213.16431	6.0
214.09953	1.6
215.14392	2.4
215.17976	8.5
216.76561	1.6
217.15883	4.2
217.19556	6.8
219.17435	11.5
223.14896	3.2
223.16884	18.4
225.16354	3.2
227.17982	6.8
229.19576	5.1
231.17505	4.3
233.19061	2.2
239.18059	1.9
241.19586	4.1
243.21059	2.7
245.19098	4.9
250.40646	1.7
251.17911	1.9
253.19559	3.5
255.21036	5.8
259.20563	2.5
265.19659	2.2
267.21036	2.7
269.22751	2.2
279.21136	2.0
295.24448	3.2
313.25137	3.7
347.27716	1.8
353.28580	4.5
355.05206	2.4
365.28448	5.0
389.32312	3.7
395.33160	3.4
407.33084	35.2
408.33862	1.6
425.34201	80.6
426.34619	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68272	2.9
53.03930	4.1
55.05517	18.7
57.07059	9.8
59.96844	3.1
67.05519	27.9
69.07068	39.7
70.63071	10.1
71.08649	3.7
79.05495	24.5
81.07062	72.2
83.08612	14.6
90.34352	3.2
91.05473	17.6
93.07045	56.3
95.08613	100.0
95.72547	2.9
97.10172	7.4
105.07035	52.7
107.08598	80.2
109.09486	4.5
109.10174	63.1
111.08086	7.2
111.11719	3.3
117.06997	9.8
119.08587	94.4
121.10155	79.3
123.08071	8.4
123.11699	24.1
125.09659	6.4
125.20719	3.1
129.06996	3.5
131.08571	26.0
133.10138	57.9
135.08051	5.3
135.11705	28.0
137.09612	4.6
137.13254	9.8
143.08551	10.8
144.09300	3.8
145.10138	33.8
147.11696	37.6
149.12425	3.0
149.13301	35.0
155.08562	4.5
156.09389	4.1
157.10133	24.2
159.11729	40.5
161.09627	11.6
161.13242	25.5
163.11177	6.8
163.14824	28.9
165.12753	6.1
169.10153	6.6
170.10927	4.7
171.11703	15.1
173.13295	30.6
175.11139	5.1
175.14821	40.3
177.12767	6.4
177.16409	64.7
183.11636	5.9
184.12532	3.8
185.13242	10.6
187.14827	29.0
189.12856	4.0
189.16383	36.0
191.17937	9.8
193.15855	5.8
197.13329	4.8
199.14906	17.2
201.16394	11.3
203.14378	6.9
203.17982	19.4
205.15929	6.9
205.19524	4.6
213.16368	14.1
215.17943	13.3
217.15854	8.1
217.19476	7.1
219.17484	5.0
219.21109	4.0
225.16391	3.6
227.17853	5.3
229.19560	4.3
231.17374	16.5
235.16939	37.3
241.19510	5.6
243.21071	3.6
245.19287	3.4
249.18591	6.1
253.19690	3.6
255.20963	3.5
257.18909	3.2
261.18573	3.1
265.19348	3.5
297.25586	3.3
306.54669	3.3
313.12573	3.5
346.23315	2.9
389.32101	15.8
407.32724	24.4
407.37686	3.5
425.33591	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3417
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03926	2.5
55.05513	21.1
57.07060	7.6
67.05508	24.6
69.07081	27.3
70.68446	6.9
77.09166	2.9
77.40824	3.1
79.05490	17.4
81.07059	42.1
83.04967	3.7
83.08635	14.6
85.06500	3.0
91.05492	18.1
93.07050	37.6
95.08609	58.1
97.06519	6.1
97.10178	6.8
99.08105	6.7
105.07033	35.6
107.08600	66.9
108.35300	2.8
109.06503	3.3
109.10163	47.3
111.08080	7.6
113.09626	5.5
117.07005	3.3
119.08590	51.8
121.10152	58.0
123.08078	5.1
123.11705	26.0
125.08479	2.7
129.06967	4.4
131.08559	13.9
132.55383	2.6
133.10130	46.8
133.67857	2.9
135.11705	35.5
137.09627	4.9
137.13274	9.2
139.11194	13.0
142.07814	4.2
143.08592	13.2
145.10132	32.1
147.11679	34.1
149.09615	3.3
149.13266	19.4
151.11168	9.6
155.08554	8.0
156.09428	3.2
157.10147	21.8
159.11699	32.2
161.13222	19.7
163.11183	4.4
163.14867	23.7
165.12750	3.1
165.73924	2.7
169.10098	14.2
170.10983	3.1
171.11681	17.6
172.12181	3.1
173.13258	23.3
175.14809	21.3
177.12762	6.9
177.16330	7.8
181.10155	3.7
183.11754	16.1
185.13264	18.5
187.14818	34.6
189.16362	18.2
191.14268	4.8
191.17883	7.6
195.11769	5.0
197.13202	8.4
199.14771	19.0
201.16385	26.8
203.14255	5.2
203.17984	9.7
205.15932	8.1
209.13309	8.7
211.14920	7.8
213.16365	15.3
215.17957	13.9
217.15935	5.5
217.19620	6.0
219.17468	5.7
223.14891	3.8
225.16336	5.3
227.17940	11.9
229.19502	7.3
237.16278	4.0
239.17953	8.6
241.19536	6.7
245.19083	9.0
251.17883	3.9
253.19662	6.4
255.21089	3.5
259.20602	7.9
269.22482	3.8
271.20630	3.9
273.22055	6.3
285.22205	3.0
287.23822	6.4
299.23846	4.2
311.23672	3.9
319.24121	5.7
337.25128	6.3
351.26465	3.9
352.27567	2.9
389.32053	5.3
395.32886	3.5
407.33029	34.8
425.21637	3.7
425.34085	100.0
426.34390	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05515	11.9
57.07061	6.1
65.03954	2.5
67.05498	16.8
68.23651	2.2
69.07075	15.4
69.36311	17.5
77.03931	2.8
79.05494	20.1
81.07054	35.2
83.05011	2.7
83.08621	8.2
85.06525	2.5
91.05491	19.5
93.07049	35.4
95.08607	54.7
97.06551	2.9
97.10155	2.3
99.08085	15.9
105.07037	47.2
107.08598	59.8
109.06560	2.2
109.10172	42.2
111.08087	6.1
117.07034	7.3
119.08577	61.9
121.10154	54.6
122.31813	2.0
123.08082	5.8
123.11716	11.6
125.09615	3.4
127.07562	6.7
129.07039	3.5
131.08578	30.2
133.10130	48.3
135.08070	5.7
135.11702	30.7
137.13251	3.4
139.11171	2.0
142.07773	2.9
143.08537	10.4
144.09317	3.0
145.10127	50.2
147.11694	35.3
149.09631	5.5
149.13284	15.6
151.11208	4.4
152.13866	2.0
157.10127	17.2
158.10907	3.1
159.11702	33.9
161.09622	2.3
161.13280	18.9
161.82385	2.6
163.11182	6.3
163.14835	21.1
165.12816	2.2
165.93752	2.0
169.10156	5.0
170.10947	4.6
171.11676	14.3
173.13278	23.7
175.11198	3.7
175.14857	21.2
177.12744	5.3
177.16399	17.5
179.14397	2.6
183.11725	6.3
185.13278	15.6
186.13977	2.2
187.14836	56.4
187.16516	4.2
189.12732	2.9
189.16406	27.1
191.14397	5.3
191.17953	9.7
193.15852	2.7
197.13251	5.3
199.14883	15.8
201.16376	70.4
203.14342	9.0
203.17950	13.7
205.15894	30.8
205.19531	2.5
207.17601	2.8
211.14879	4.6
213.16394	9.0
215.18004	7.6
217.15868	5.7
217.19493	2.6
219.17389	12.0
223.17035	3.8
225.16362	3.8
227.18016	8.2
229.15863	2.7
229.19505	3.9
231.17458	7.3
233.19090	4.9
239.17920	3.6
241.19501	3.7
243.21216	3.0
245.19019	5.0
253.19548	3.8
255.21008	3.4
259.20581	3.9
311.23907	3.3
389.32361	2.7
395.33047	4.7
407.33090	38.2
425.34192	100.0
426.34479	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	425.3417
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05510	6.9
57.07078	1.6
58.72075	1.5
65.91888	1.6
66.06462	1.7
67.05502	10.5
69.07077	12.8
69.42412	14.4
79.05495	10.7
81.07063	21.8
83.08620	6.1
90.46425	1.7
91.05479	9.9
93.07055	22.4
95.08607	32.1
99.08087	3.9
105.07027	24.7
107.08606	33.0
109.06523	4.2
109.10156	26.0
111.08058	3.3
113.09721	1.8
113.38698	1.7
117.07014	2.9
119.08594	31.0
121.10149	30.3
123.08036	1.8
123.11704	8.1
129.06932	2.7
131.08568	18.0
133.10138	25.9
135.08083	4.1
135.11691	22.6
137.13277	2.1
139.11205	2.8
143.08560	7.7
145.10129	36.6
147.11667	20.3
149.09639	3.0
149.13261	16.2
151.11147	3.6
153.12776	1.9
155.08499	1.7
157.10132	10.4
159.11703	25.6
161.13268	12.4
163.11201	4.1
163.14832	19.5
169.10110	2.2
171.11710	6.9
173.13269	11.8
175.14851	11.6
177.12808	3.9
177.16409	15.3
185.13326	10.2
187.14830	33.7
189.12811	1.8
189.16383	19.4
191.14314	6.5
191.17960	4.4
197.13307	3.2
199.14880	8.2
201.16391	46.3
202.16878	3.0
203.14314	3.7
203.18013	7.0
205.15871	26.3
207.17494	5.5
213.16455	8.3
215.18080	10.3
217.16006	2.4
217.19618	3.1
219.17422	17.2
223.17010	6.2
225.16483	2.8
227.17906	2.9
229.19550	4.9
231.17482	2.9
233.18967	2.9
241.19673	3.1
253.19727	2.0
255.21158	5.7
257.18967	1.8
269.22620	3.5
275.20160	2.0
295.24490	2.1
386.10532	1.7
389.32111	4.2
407.28473	2.7
407.33215	22.6
425.34204	100.0
426.34415	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	425.3416
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05502	11.6
57.07053	3.8
59.60311	2.6
67.05507	24.8
69.07069	13.1
70.67558	3.4
70.67899	4.8
71.04974	3.1
79.05484	18.6
81.07058	38.5
83.08624	8.5
83.16190	2.8
91.05480	20.1
93.07051	42.4
95.04992	4.8
95.08613	61.8
97.06510	3.4
97.10186	3.5
99.08096	7.5
105.07035	52.1
105.07704	4.0
107.08600	59.0
109.10157	31.2
111.08176	2.3
117.07021	6.4
119.08588	65.5
120.69431	2.4
121.06483	2.8
121.10149	37.4
123.08138	4.8
123.11700	13.6
126.50768	2.5
126.77195	2.2
129.06975	3.3
130.07793	2.5
131.08571	26.2
133.10135	42.7
135.08098	8.6
135.11703	21.5
137.13289	4.3
139.11165	3.0
142.07785	4.8
143.08533	12.3
144.09497	2.7
145.10136	34.9
147.08078	3.9
147.11716	32.6
149.09685	4.7
149.13249	22.0
153.23759	2.3
155.08588	3.0
156.09352	2.5
157.10091	18.1
159.11688	29.3
161.09659	7.1
161.13284	14.5
163.11203	4.4
163.14807	24.1
169.10201	3.5
170.10954	2.9
171.11702	16.9
173.09608	3.0
173.13274	30.0
174.53851	2.2
175.11244	9.9
175.14848	18.9
177.12862	3.0
177.16426	18.9
183.11720	4.2
185.13222	14.6
187.14815	33.4
189.12756	3.8
189.16386	19.8
191.17998	4.4
195.40686	2.2
197.13358	4.6
199.14825	14.2
201.12836	5.1
201.16449	23.2
203.14404	12.6
203.17973	28.4
205.15930	9.6
207.17210	3.0
211.14743	4.0
213.16438	9.7
215.17972	7.2
217.15950	5.8
217.19598	2.9
219.17352	3.3
219.21330	3.0
221.15433	5.8
224.15564	2.7
227.17970	6.5
229.15862	3.3
231.21172	3.7
243.21375	2.5
255.21184	5.1
257.22742	3.2
269.22717	4.9
319.24283	3.2
335.27167	3.0
389.32532	5.1
395.33246	4.6
407.32974	24.3
418.79221	2.7
425.34241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3413
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.90387	2.9
55.05507	12.9
57.07081	5.8
67.05512	22.8
69.07072	22.7
70.79063	4.9
70.79384	5.6
73.32176	3.2
79.05497	20.9
80.24631	3.4
81.07056	39.2
83.08617	7.6
91.05482	27.2
93.07045	45.3
95.08610	67.9
97.06526	3.7
97.72490	3.8
99.08107	8.4
103.05479	3.0
105.07028	65.8
107.08593	76.7
109.10157	43.2
111.08051	3.1
114.76792	2.9
115.68030	3.3
117.07046	11.4
119.07722	6.1
119.08584	100.0
121.10142	55.0
123.08074	3.7
123.11707	11.3
129.07008	5.7
131.08588	32.9
133.10136	49.4
135.08025	7.4
135.11720	37.0
143.08568	8.9
144.09381	4.8
145.10129	67.6
147.11687	65.1
149.09604	4.6
149.13261	33.8
151.11197	5.5
156.09358	3.7
157.10104	12.6
158.10895	3.8
159.11690	47.7
161.13264	31.4
163.11194	10.1
163.14842	27.1
169.10144	4.1
171.11696	9.5
173.13278	27.5
175.11133	3.6
175.14845	31.2
177.16411	29.2
183.11761	5.0
185.13249	12.7
187.14827	59.6
189.16385	32.1
191.14314	9.2
191.17914	4.9
196.76526	3.6
199.14825	13.7
201.16386	99.9
203.14322	6.9
203.17920	42.6
205.15910	45.1
207.17407	6.5
210.35225	3.6
211.14720	4.1
213.16385	5.7
215.14279	3.4
215.17912	13.9
217.15883	4.3
217.19453	5.6
219.17445	12.8
223.16956	17.7
227.18007	7.9
231.17427	5.7
235.16957	4.3
253.19696	3.9
255.21062	6.8
271.20651	3.3
296.74615	3.1
301.21713	3.8
365.28699	4.2
389.32141	4.0
407.33099	26.7
425.34210	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3416
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03931	4.5
55.05514	21.9
57.07074	3.6
65.03944	5.4
67.05511	23.7
69.07071	22.2
69.29200	28.0
71.15553	3.3
79.05479	16.0
81.07056	39.6
82.95576	3.0
83.04990	3.6
83.08622	11.3
85.06555	7.0
89.99863	3.1
91.05481	22.0
93.07048	49.3
95.08613	62.1
97.10172	3.5
98.21525	6.1
99.08092	17.8
105.07043	44.6
107.08600	80.3
109.06511	7.6
109.10156	45.8
111.08076	9.7
113.09644	5.5
117.07001	10.9
119.08588	73.2
120.08906	3.7
121.06528	4.3
121.10143	54.8
123.08035	6.9
123.11718	19.8
129.07039	3.7
131.08571	26.3
133.10146	48.7
135.08067	10.1
135.11687	37.0
137.13274	6.8
139.11205	9.5
143.08563	15.1
144.09343	5.1
145.10138	40.5
147.11697	45.4
149.09665	7.4
149.13286	15.7
151.11186	6.7
153.12804	3.4
155.08563	10.3
156.09326	3.5
157.10136	22.8
158.10869	3.2
159.11707	32.8
161.09676	8.7
161.13260	21.3
163.11198	10.7
163.14851	13.1
165.12778	3.5
169.10123	16.2
170.10895	6.3
171.11725	27.8
173.13297	28.8
175.11246	6.4
175.14879	18.0
177.12799	3.4
177.16405	11.7
183.11696	17.4
185.13292	30.8
187.11258	4.2
187.14816	45.2
189.12724	3.6
189.16420	21.2
191.14337	5.0
191.17970	7.3
195.11670	4.8
197.13246	11.1
199.14842	23.3
201.16422	44.8
203.14424	6.5
203.18074	8.7
205.15875	13.1
207.17456	5.0
209.13324	4.8
211.14853	7.3
213.16379	10.9
215.17928	6.6
217.15971	5.0
219.17387	4.7
225.16391	8.1
227.17946	14.5
231.17516	6.9
233.19038	4.4
237.16243	6.4
239.18011	7.1
241.19585	7.5
243.17329	3.9
245.19028	8.5
251.17876	4.4
253.19704	7.7
255.20920	6.8
257.19080	4.3
305.22644	3.3
309.25998	4.0
325.25336	5.1
337.25269	6.3
353.28165	4.5
367.29956	4.6
389.32004	4.1
395.33130	5.1
407.33118	46.1
425.34222	100.0
426.34549	4.3
437.91296	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	425.3417
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
50.25090	1.5
52.64757	1.5
53.03946	4.3
53.23914	1.5
55.05511	23.7
57.03472	1.9
57.07071	8.1
57.48579	1.4
61.94036	1.5
65.03934	2.1
67.05510	24.3
69.03428	3.2
69.07071	26.1
69.45744	5.9
69.46167	5.6
71.00640	1.7
71.04998	2.9
71.08607	2.0
77.03951	1.9
79.05498	23.6
79.56417	1.4
81.07062	52.8
83.04977	4.9
83.08622	14.8
84.03084	1.3
85.06557	6.7
91.05484	37.7
93.07049	68.3
95.04993	4.1
95.08616	68.3
97.06535	4.4
97.10201	3.0
98.21532	3.5
99.08090	19.2
103.05475	1.6
105.07038	63.8
107.08603	100.0
109.06528	3.5
109.10169	44.8
109.10933	2.4
111.08080	4.8
112.42552	1.5
113.09627	3.0
115.05456	2.4
117.07028	10.7
119.08590	95.9
121.06532	3.2
121.10151	72.4
123.08087	4.8
123.11708	21.5
123.23804	1.6
125.09675	3.0
128.06320	2.2
129.07033	6.3
130.07883	2.6
131.08575	53.4
133.10144	71.5
135.08066	11.2
135.11708	46.0
137.09613	7.7
137.13281	5.3
139.11197	7.5
140.34734	1.5
141.06995	2.0
142.07823	4.5
143.08574	18.6
144.09308	3.9
145.10130	55.9
147.04416	2.6
147.11697	92.6
148.11990	1.6
149.09642	4.5
149.13269	28.3
151.11208	5.8
155.08588	6.0
156.09387	4.9
157.10130	23.7
158.10907	3.7
159.11697	49.1
161.09676	4.6
161.13263	28.9
162.31454	1.6
163.11232	17.0
163.14862	21.3
165.12799	6.0
169.10077	9.6
170.10936	5.3
171.11694	24.1
172.12625	2.3
173.13277	36.7
173.14697	2.9
175.11249	9.7
175.14813	28.6
177.12787	8.9
177.16423	21.7
178.68295	1.6
178.69788	1.8
179.14270	2.1
181.10196	3.1
183.11717	10.7
184.12550	2.6
185.13254	22.8
186.13982	1.8
187.11179	2.7
187.14836	62.9
188.15225	1.9
189.12827	4.9
189.16386	21.5
191.14372	4.4
191.17979	5.2
193.10231	1.8
193.15903	2.7
194.11006	1.5
195.11739	3.2
197.13300	8.9
199.14830	16.1
201.13008	2.5
201.16399	69.5
202.16774	3.2
203.14288	8.5
203.17961	15.7
205.15877	59.7
207.17439	8.1
209.13301	4.4
211.14767	7.9
213.16374	13.4
215.14375	3.6
215.17947	11.3
217.15887	9.8
217.19640	2.6
219.17453	12.7
221.15402	1.8
223.14835	4.3
224.78075	2.1
225.05124	1.5
225.16499	3.1
227.17952	10.8
229.15919	2.3
229.19646	5.1
231.11255	2.2
231.17505	6.0
233.15292	1.7
233.18945	3.1
235.15065	2.3
237.16478	2.8
239.18114	4.8
241.19647	6.1
243.17386	2.6
243.21242	2.5
244.18015	1.5
245.19022	11.2
249.16446	2.4
251.18024	2.1
253.19576	5.3
255.21220	5.4
257.19055	3.1
257.22720	2.0
259.20657	4.9
261.22119	1.7
263.12549	2.1
267.21259	2.6
269.22644	2.4
271.20560	4.0
273.22116	3.2
279.21094	2.4
281.22772	1.6
283.20593	4.9
285.22238	4.2
287.23895	3.2
293.22610	2.5
309.25815	1.9
311.23740	1.7
319.24493	3.1
325.25351	2.8
327.12396	1.8
335.27402	4.5
337.25323	6.6
351.26544	1.8
353.28543	5.6
365.28409	6.2
367.30173	3.0
389.32242	5.3
395.33060	9.7
397.34903	5.0
407.33109	50.2
408.33597	3.1
421.95535	1.9
425.34250	92.1
426.34598	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	425.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76299	3.2
55.05500	13.9
57.07076	7.4
67.05501	31.7
69.07059	28.9
69.15538	32.7
79.05484	23.4
81.07060	60.5
81.46780	3.3
83.08612	8.9
91.05478	29.1
93.07041	54.9
95.04974	5.3
95.08607	100.0
97.10162	7.8
98.21469	7.8
99.08030	3.5
105.07037	57.3
107.08592	88.1
109.10159	66.8
117.07034	10.2
119.08590	82.0
120.63065	3.6
121.10143	64.0
123.08089	6.7
123.11693	22.0
129.07031	5.6
131.08585	35.6
133.10130	56.3
135.11705	41.3
137.13239	12.7
143.08540	12.0
145.10126	71.7
147.11697	53.6
149.13261	40.0
157.10138	13.0
159.11690	51.7
161.13249	33.2
163.11176	3.7
163.14806	25.8
165.12776	3.5
169.10187	6.0
171.11726	10.2
172.12491	4.0
173.13214	29.2
175.14851	27.9
177.12730	6.8
177.16415	22.2
177.17793	3.4
179.14249	3.8
183.11726	5.3
185.09219	2.9
185.13263	11.8
187.14812	77.0
189.14803	6.1
189.16394	63.7
191.14333	4.9
191.17932	32.3
197.13370	4.9
199.14865	18.6
200.23700	3.0
201.16386	80.6
203.17967	18.6
205.15755	7.6
205.19522	13.8
207.17456	7.1
211.14946	5.3
213.16316	17.8
214.17183	4.5
215.17938	20.9
217.19537	16.6
219.17523	4.8
225.16306	3.6
227.17912	6.5
229.19551	11.7
233.18964	13.0
241.19490	5.5
245.22852	4.0
253.19443	6.3
255.21170	18.6
295.24118	4.6
389.31985	8.0
407.32578	21.2
407.37509	7.0
425.33801	69.6
425.39212	5.3
426.34521	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.87625	3.6
54.15079	3.2
55.05507	13.5
57.07062	3.5
67.05508	19.5
69.07080	22.3
69.63773	3.0
79.05499	18.2
81.07068	47.0
83.04984	3.5
83.08608	9.6
91.05484	18.2
93.07050	42.8
95.04927	4.0
95.08611	64.0
97.06506	4.0
97.10171	6.6
98.21571	6.0
99.08074	6.7
105.07035	45.2
107.08602	76.1
109.10165	50.1
111.08096	4.5
117.07012	8.3
119.02357	2.9
119.08576	54.4
121.10148	64.9
123.11688	18.1
125.09651	3.9
129.07008	3.1
131.08574	48.4
133.10149	33.6
135.08026	4.8
135.11690	27.5
139.11253	6.0
143.08568	13.7
145.10129	49.3
147.11685	36.8
149.13268	21.0
151.11169	5.1
155.08574	5.8
156.09290	4.1
157.10127	19.6
158.10916	5.3
159.11717	37.8
161.13229	21.1
163.14844	49.5
165.12773	3.3
169.10161	4.5
171.11696	19.3
173.13304	25.5
175.14847	20.5
177.12740	8.5
177.16406	36.2
179.14342	3.8
183.11662	7.7
185.13272	20.2
187.14836	46.7
189.16373	25.4
191.14381	7.7
191.17923	6.5
197.13263	5.1
199.14847	14.6
201.16415	40.3
203.14270	4.5
203.17961	19.3
205.15906	33.5
207.17429	3.7
211.14760	4.7
213.16382	11.4
215.14368	5.5
215.17964	17.6
217.15964	5.6
217.19617	5.7
223.17009	6.3
225.16302	4.4
227.17987	9.1
228.93040	3.7
229.15912	4.6
229.19470	8.8
231.17587	6.3
233.41840	3.2
241.19499	9.0
243.21083	6.7
245.18999	4.2
246.76900	2.9
253.19482	23.7
255.21025	21.1
257.22708	6.8
260.81427	3.0
267.21136	3.6
269.22580	11.1
271.20654	3.4
295.24280	4.1
319.23975	4.1
389.32123	13.9
407.33160	58.5
425.34137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.0
57.31437	1.5
67.05501	6.3
69.07069	6.1
69.38103	6.8
69.38534	8.4
79.05474	6.3
80.02197	1.7
81.07063	19.0
85.99142	1.8
91.05482	6.8
93.07050	10.9
95.08618	21.2
99.08101	4.2
105.07038	19.9
107.08619	17.3
109.10145	11.7
119.08607	21.6
121.06519	2.2
121.10143	14.7
123.08071	2.0
123.11761	5.1
128.10474	1.9
131.08571	11.3
133.10146	14.8
135.11703	8.0
138.55400	2.1
143.08562	4.6
145.10104	11.5
147.11697	11.7
149.09578	2.7
149.13287	4.7
151.11218	2.1
156.60854	2.1
157.10114	5.5
159.11699	9.4
161.09630	2.1
161.13280	6.1
163.14864	6.8
169.10153	2.2
171.11746	3.3
173.13258	9.7
175.11150	3.5
175.14847	3.7
177.16344	4.7
183.11743	3.5
185.13248	2.3
187.14859	11.1
189.16379	9.3
199.14871	2.6
201.16408	14.7
203.05280	3.0
203.14275	2.7
203.17996	3.5
205.15944	12.0
213.16330	3.4
215.17851	2.5
217.15884	2.7
227.05157	2.4
229.15747	2.2
243.04776	13.0
245.06358	11.3
271.04276	4.4
287.03745	84.6
289.05307	100.0
353.28439	2.4
381.18835	6.8
407.33276	11.4
425.17853	93.9
425.34616	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	425.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15554	1.6
55.05514	3.3
65.95436	1.7
67.05495	7.0
69.07066	5.0
69.38322	14.7
79.05491	7.9
81.07050	11.4
83.08608	2.1
87.65823	2.1
91.05503	4.7
93.07061	9.6
95.08598	14.9
99.08085	4.1
105.07050	13.0
107.08615	17.7
109.10151	8.5
116.49726	1.7
117.06979	2.8
119.08583	20.2
121.10185	9.0
122.35294	1.8
123.08088	1.9
123.11751	2.6
131.08597	6.6
133.10143	14.2
135.08144	1.9
135.11697	8.4
142.96637	1.8
143.08542	2.4
145.10124	10.5
147.11725	12.1
149.13264	5.3
157.10135	2.6
159.11760	11.0
161.13341	5.4
163.14798	4.7
171.11658	2.8
173.13274	6.4
175.14832	5.6
177.16396	4.5
185.13217	3.8
187.14859	12.9
189.16447	5.9
199.14830	2.2
201.03743	3.0
201.16374	9.6
203.05287	2.2
203.18048	3.3
205.15944	5.8
215.18015	2.3
227.05328	2.0
227.17883	2.3
229.19609	2.0
243.04810	12.1
245.06337	9.3
287.03769	88.6
289.05331	100.0
381.18750	8.1
395.62311	2.4
407.33170	6.1
416.57602	1.9
425.17828	91.9
425.34500	19.2
426.18234	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39991	3.0
69.03430	4.7
69.79529	18.8
81.03437	6.5
85.02917	15.3
94.06565	6.3
97.02868	5.9
98.97601	3.3
117.18991	3.1
120.08033	3.6
121.53131	3.1
123.04459	8.8
123.52376	2.8
127.03976	4.9
128.03436	9.3
130.06540	41.4
132.04497	9.0
132.08057	3.3
133.06523	3.3
139.03914	3.4
142.06480	3.5
146.06027	3.8
147.04414	10.3
149.04561	7.7
157.07622	100.0
158.06036	37.9
159.09166	18.3
163.03876	3.9
166.07281	6.9
170.06100	3.2
171.09247	3.2
172.07550	4.1
175.08669	41.1
183.06708	4.1
183.09343	3.3
185.07158	10.6
186.07713	3.1
199.08708	11.5
200.07036	3.5
201.10332	16.5
203.08165	68.2
208.08296	13.7
216.08801	6.1
217.09772	9.2
218.06696	6.4
221.09239	13.1
226.24710	3.0
227.08298	4.8
245.04521	6.6
245.09250	30.5
257.04333	3.7
262.09213	3.7
263.10287	89.1
287.10162	6.0
299.05579	6.1
341.11505	6.7
389.13376	5.6
407.07629	8.3
425.08533	5.1
425.13788	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	425.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58560	0.7
57.04179	0.7
59.76925	0.6
70.99883	0.7
71.48388	0.9
81.03371	0.8
82.99838	4.7
85.02911	0.8
90.35281	0.7
94.99844	1.1
97.02914	0.8
98.97563	0.8
101.00885	22.5
109.02876	0.9
113.00867	6.2
115.02388	1.2
119.01077	0.8
119.01929	13.7
127.02435	4.1
129.00331	0.7
130.69948	0.7
131.01913	7.1
133.56363	0.7
139.02409	2.2
143.01909	37.7
145.03477	8.8
153.01779	0.9
153.03888	1.0
155.01910	17.3
157.03484	6.1
161.02969	33.5
167.01910	15.5
169.03519	3.7
171.05064	2.4
173.02985	16.2
179.01907	5.8
185.02969	32.5
187.04581	3.7
191.04041	2.4
197.02985	12.6
197.04613	0.4
203.04033	12.4
209.02922	1.7
215.03999	5.7
227.04048	7.7
239.06334	0.8
245.05099	100.0
246.05312	2.5
257.05112	5.0
263.06168	22.3
275.06158	16.1
293.07169	3.5
305.01868	1.0
305.07150	7.5
317.07285	1.5
335.08224	2.1
365.09247	5.0
378.35965	0.8
383.09390	0.7
425.06540	6.1
425.10229	1.1
425.11850	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99068	0.9
56.96566	5.1
69.03426	3.4
69.45483	6.3
70.98113	2.5
81.03426	1.8
82.99840	3.5
84.96025	1.5
85.02915	5.2
97.02905	4.3
98.97594	14.5
101.00887	19.7
103.00647	2.1
109.02900	1.4
110.97565	6.4
112.99133	1.2
113.00870	5.7
115.00619	1.2
115.02433	2.2
116.98602	2.6
117.02193	1.6
119.01924	17.1
121.01659	1.5
127.02430	3.5
127.03938	1.3
128.98601	4.1
129.02194	1.6
131.00191	0.8
131.01926	8.6
133.01642	1.6
133.03444	1.1
135.03221	1.0
139.02403	1.5
140.98598	2.0
143.00175	1.9
143.01910	38.2
144.02011	1.6
145.01657	2.7
145.03485	9.9
146.99692	1.8
147.03249	2.2
152.98639	1.2
153.04004	1.9
155.01907	17.9
157.01646	4.0
157.03484	6.4
158.99692	2.8
159.03244	1.9
161.02965	34.1
167.01897	13.1
169.01752	1.9
169.03485	2.5
170.99669	3.0
171.05023	3.1
173.01413	1.8
173.02966	16.9
175.02744	2.1
177.00633	1.1
179.01837	5.7
181.03545	1.2
182.99606	1.7
185.02971	31.7
185.04630	2.1
186.03006	1.1
186.99173	1.5
187.02707	3.3
187.04570	2.5
189.00681	2.0
191.02351	1.2
191.04039	2.6
197.02957	13.5
199.02707	1.3
201.00639	2.8
203.04030	14.6
205.03748	1.6
209.03050	1.9
215.04047	6.3
219.01767	6.2
219.07164	1.1
221.03091	1.2
221.05035	2.7
223.04883	1.7
227.04008	7.4
237.02852	4.2
245.05096	100.0
246.05263	1.8
247.04851	2.0
251.04494	4.5
257.05136	5.0
263.06186	21.6
269.05432	1.4
275.06204	14.3
277.03201	3.6
278.03833	1.6
279.04065	1.5
279.07611	4.4
281.01834	2.0
291.09314	1.9
293.07132	2.5
303.01315	2.5
305.02014	1.9
305.07437	6.4
307.07138	1.6
319.06912	1.6
321.10495	5.2
323.02625	1.0
333.04865	0.9
335.08228	2.8
349.08121	2.0
365.09592	5.7
377.07465	3.7
393.07217	4.7
405.01538	1.1
407.08755	1.4
425.06100	9.7
425.11179	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	425.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.0
60.29000	0.3
67.03553	0.3
70.78967	0.7
70.79301	0.4
72.91211	0.3
74.93145	0.8
82.99852	0.4
98.96957	0.6
98.97586	11.6
99.97874	0.4
101.00872	0.9
116.98628	4.8
119.01891	1.3
134.99644	1.1
143.01895	1.8
154.94128	0.5
155.01901	0.7
157.03482	0.4
161.02985	2.2
167.01857	0.4
172.86339	0.4
173.03012	0.8
174.97755	0.7
177.00951	0.4
180.96822	0.5
185.02936	1.4
190.87407	0.8
192.98935	1.0
194.97298	0.9
197.02896	0.5
198.97890	2.2
203.03928	0.8
208.88431	1.2
215.03754	0.5
216.98965	7.8
217.99088	0.8
219.02020	0.4
221.01854	0.4
222.97960	1.3
223.98492	0.5
230.95042	0.4
232.96677	0.4
235.00009	9.9
236.00168	0.9
240.98958	16.3
241.98949	2.0
245.05083	4.9
248.91537	0.4
253.01093	1.1
256.96722	0.6
259.00000	46.2
260.00055	6.2
260.99768	1.1
261.03012	0.9
262.03079	0.6
263.06174	1.2
264.98807	4.0
266.92578	0.4
273.98636	1.9
274.97778	1.3
275.06186	0.5
277.01028	20.1
278.01093	4.5
279.00812	0.9
283.00000	100.0
284.00092	8.3
285.00009	0.9
291.99820	0.9
298.97690	1.4
299.97882	0.5
301.01062	90.4
302.01151	7.1
303.01169	0.6
316.98941	1.3
318.98834	0.5
319.02124	2.4
322.97754	0.5
324.02649	1.2
334.92383	0.4
359.00073	1.0
364.99069	1.1
383.00345	1.1
384.00085	0.8
384.99557	0.5
400.93488	0.6
401.01340	4.5
402.01578	2.1
406.99921	5.2
408.00195	0.5
420.01837	0.4
425.01181	50.2
426.01413	5.7
443.02277	82.2
444.02402	8.9
445.02435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	14.2
58.83333	6.2
71.00675	8.4
71.01026	14.0
81.07031	9.0
85.86384	6.1
93.07050	9.2
95.04990	9.5
107.08580	15.3
109.10155	8.8
115.07613	12.6
121.10122	40.9
151.11130	11.4
153.09027	9.2
163.14857	23.0
167.14326	10.1
191.14357	16.5
209.15366	100.0
227.16371	11.5
242.13712	7.0
311.87714	7.8
351.37985	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.05513	14.0
57.03424	2.2
57.07070	5.4
59.05014	2.0
65.03952	1.9
67.05510	28.9
69.03418	1.8
69.07070	28.1
69.17072	18.3
71.08610	2.5
79.05495	18.2
81.06599	3.6
81.07062	66.4
83.04987	2.4
83.08599	11.4
85.06544	5.8
91.05484	20.3
93.07050	51.9
95.08611	100.0
97.10162	7.3
98.21467	3.9
105.06319	2.2
105.07039	44.0
107.08601	67.6
109.10168	57.1
109.10909	1.6
111.08091	6.9
111.11644	3.2
117.07013	6.5
119.08594	58.1
121.10150	53.8
123.08057	5.0
123.11724	25.5
125.09650	5.1
129.07013	2.7
131.08588	17.2
133.10139	48.8
135.11700	44.8
137.09653	3.3
137.13266	21.2
142.07822	2.0
143.08545	5.1
145.10147	31.7
147.11702	38.2
149.13261	32.7
151.11189	3.8
151.14818	2.6
157.10127	12.2
159.11702	30.2
161.13261	33.7
163.14822	30.9
166.71651	1.8
169.10147	3.7
171.11720	9.2
173.13274	23.2
175.14853	32.2
177.12744	3.9
177.16393	19.6
179.14339	3.9
183.11670	3.4
185.13326	13.3
187.14850	22.1
189.16399	24.6
191.14342	5.3
191.17966	38.1
193.15898	6.1
199.14853	7.5
201.16417	20.5
203.14354	12.0
203.17950	20.1
205.15918	7.4
205.19554	6.8
207.17511	2.3
213.16362	10.4
215.17960	22.1
217.15929	6.6
217.19508	19.3
219.17464	3.8
219.21251	1.9
225.16319	2.3
227.17928	5.7
229.19466	9.4
231.17479	5.3
231.21077	7.7
233.19041	7.9
241.19594	5.2
243.17572	2.1
243.21187	6.4
245.18968	3.4
245.22691	3.1
255.21193	3.2
257.22632	6.8
259.20740	2.4
261.22159	2.9
267.21124	3.5
269.22705	4.3
281.22766	2.5
283.24185	2.1
334.72540	2.0
395.32297	2.6
395.37018	3.7
405.30621	3.8
405.35803	12.7
423.31879	27.7
423.36264	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88557	2.1
53.03950	3.9
55.01871	4.0
55.05516	18.6
57.07061	5.8
63.01016	1.8
67.05506	36.0
69.03443	4.8
69.07065	22.8
69.18652	3.2
69.18984	21.4
71.05001	3.8
71.08644	2.7
79.05491	23.1
81.06592	4.2
81.07057	50.5
83.04990	6.2
83.08631	12.1
85.06549	4.3
91.05498	25.4
92.66987	1.9
93.07053	44.9
95.04984	3.6
95.08614	73.7
97.02899	8.6
97.06544	3.4
97.10195	6.1
98.21685	3.7
99.04460	3.8
99.08083	10.8
103.05509	3.6
105.07036	44.5
107.08602	70.2
109.06522	13.4
109.09469	4.2
109.10160	37.8
111.08090	7.4
117.07008	11.0
119.08588	56.9
121.10147	45.2
123.08087	23.7
123.11729	17.8
125.09568	5.1
127.03905	2.8
129.06998	5.3
131.08592	18.7
133.10141	40.5
135.08075	8.7
135.11711	29.5
137.09637	4.7
137.13284	4.7
139.11198	6.3
140.09753	2.2
142.07759	5.3
143.08589	15.2
145.10135	36.3
147.11697	28.9
147.25667	2.2
149.09561	2.7
149.13254	17.2
151.11198	4.1
151.14900	2.4
155.08534	4.1
156.09341	3.0
157.10123	21.0
158.10933	2.8
159.11699	27.0
161.09641	2.0
161.13264	21.3
163.11215	2.5
163.14838	15.9
165.12753	4.1
169.10155	9.6
170.10783	3.0
171.11668	13.2
172.12498	2.6
173.13278	26.1
175.11221	3.2
175.14861	14.6
177.12843	3.3
177.16457	11.7
179.14316	46.5
182.10883	2.3
183.11679	11.5
183.90768	2.4
185.13275	12.5
187.14816	20.7
189.16434	14.8
191.17943	8.0
193.15919	3.6
197.13307	8.6
199.14830	11.4
201.16429	17.5
203.14403	3.5
203.17972	12.5
205.15948	7.2
207.11681	2.6
207.17435	3.4
211.14835	8.0
213.16388	8.4
215.17921	15.1
217.19586	6.3
219.17548	2.7
223.14877	3.8
225.16435	3.9
227.17957	4.5
229.19521	3.9
231.17656	3.3
233.19073	3.2
237.16418	3.1
239.17981	6.0
243.17589	2.1
243.21066	7.2
245.19095	2.5
251.18008	2.6
253.19527	5.0
255.21112	4.1
259.20645	3.0
261.22046	3.7
267.21036	3.4
269.22662	5.8
271.20566	3.2
293.22913	2.4
313.25467	2.7
331.26364	21.7
351.26822	2.9
365.28461	5.5
387.30310	2.6
405.30829	12.6
405.35419	7.8
423.31799	100.0
423.36411	22.2
424.31717	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88557	2.1
53.03950	3.9
55.01871	4.0
55.05516	18.6
57.07061	5.8
63.01016	1.8
67.05506	36.0
69.03443	4.8
69.07065	22.8
69.18652	3.2
69.18984	21.4
71.05001	3.8
71.08644	2.7
79.05491	23.1
81.06592	4.2
81.07057	50.5
83.04990	6.2
83.08631	12.1
85.06549	4.3
91.05498	25.4
92.66987	1.9
93.07053	44.9
95.04984	3.6
95.08614	73.7
97.02899	8.6
97.06544	3.4
97.10195	6.1
98.21685	3.7
99.04460	3.8
99.08083	10.8
103.05509	3.6
105.07036	44.5
107.08602	70.2
109.06522	13.4
109.09469	4.2
109.10160	37.8
111.08090	7.4
117.07008	11.0
119.08588	56.9
121.10147	45.2
123.08087	23.7
123.11729	17.8
125.09568	5.1
127.03905	2.8
129.06998	5.3
131.08592	18.7
133.10141	40.5
135.08075	8.7
135.11711	29.5
137.09637	4.7
137.13284	4.7
139.11198	6.3
140.09753	2.2
142.07759	5.3
143.08589	15.2
145.10135	36.3
147.11697	28.9
147.25667	2.2
149.09561	2.7
149.13254	17.2
151.11198	4.1
151.14900	2.4
155.08534	4.1
156.09341	3.0
157.10123	21.0
158.10933	2.8
159.11699	27.0
161.09641	2.0
161.13264	21.3
163.11215	2.5
163.14838	15.9
165.12753	4.1
169.10155	9.6
170.10783	3.0
171.11668	13.2
172.12498	2.6
173.13278	26.1
175.11221	3.2
175.14861	14.6
177.12843	3.3
177.16457	11.7
179.14316	46.5
182.10883	2.3
183.11679	11.5
183.90768	2.4
185.13275	12.5
187.14816	20.7
189.16434	14.8
191.17943	8.0
193.15919	3.6
197.13307	8.6
199.14830	11.4
201.16429	17.5
203.14403	3.5
203.17972	12.5
205.15948	7.2
207.11681	2.6
207.17435	3.4
211.14835	8.0
213.16388	8.4
215.17921	15.1
217.19586	6.3
219.17548	2.7
223.14877	3.8
225.16435	3.9
227.17957	4.5
229.19521	3.9
231.17656	3.3
233.19073	3.2
237.16418	3.1
239.17981	6.0
243.17589	2.1
243.21066	7.2
245.19095	2.5
251.18008	2.6
253.19527	5.0
255.21112	4.1
259.20645	3.0
261.22046	3.7
267.21036	3.4
269.22662	5.8
271.20566	3.2
293.22913	2.4
313.25467	2.7
331.26364	21.7
351.26822	2.9
365.28461	5.5
387.30310	2.6
405.30829	12.6
405.35419	7.8
423.31799	100.0
423.36411	22.2
424.31717	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
54.18287	1.4
55.05515	14.7
56.05883	1.1
57.07075	1.8
65.03938	1.7
67.05510	19.3
67.56905	1.1
69.07071	13.9
69.39940	8.5
70.58270	1.1
71.04973	1.8
79.05078	1.8
79.05499	18.9
81.07060	34.5
82.37492	1.3
83.04959	2.1
83.08628	8.9
85.06561	3.0
91.05482	23.4
93.07050	38.7
95.04964	2.9
95.08614	49.3
97.06525	3.5
97.10168	2.4
99.08100	7.9
103.05499	1.5
105.06323	1.7
105.07037	43.3
107.08604	46.2
109.06540	6.8
109.10165	22.9
111.08089	3.7
113.09640	1.7
115.05495	2.3
117.07014	10.1
119.08588	74.0
120.08998	1.6
121.06515	2.9
121.10155	30.3
123.08081	4.2
123.11720	5.4
125.09586	2.8
128.06248	3.9
129.07014	6.3
130.07793	2.9
131.08585	37.0
133.10144	31.2
135.08090	5.9
135.11702	14.6
137.09615	3.2
137.13219	1.3
139.11195	4.0
141.06979	2.7
142.07744	3.3
143.08588	19.7
144.09326	4.9
145.10138	47.3
147.08078	2.6
147.11700	24.5
149.09631	5.5
149.13254	10.5
150.33839	1.3
151.11214	3.1
153.06999	1.2
155.08588	6.2
156.09341	4.9
157.10130	24.1
158.10942	6.7
159.08072	2.2
159.11710	35.5
161.09671	5.9
161.13248	11.8
163.11205	4.1
163.14854	9.5
165.12778	1.7
167.10606	2.0
169.10155	10.7
170.10860	3.6
171.11685	17.4
172.12350	2.6
173.09673	3.5
173.13283	31.4
175.11215	5.6
175.14857	18.3
177.12842	2.7
177.16405	7.1
181.10220	3.5
182.10918	3.0
183.11697	14.3
185.09644	1.6
185.13309	22.4
186.13725	1.9
187.11247	3.4
187.14833	72.1
188.15262	2.2
189.12793	4.5
189.16397	10.0
190.16771	1.5
191.14362	4.8
193.10078	2.0
193.15898	1.6
195.11716	4.1
197.13318	10.5
199.11130	1.9
199.14838	14.4
201.12758	3.7
201.16396	60.6
202.16656	1.4
203.14381	5.9
203.18013	5.6
205.15887	6.0
207.11856	1.8
209.13309	5.3
211.14775	7.5
213.16400	12.7
215.14381	4.4
215.18005	5.8
216.99113	1.6
217.15935	3.4
221.13409	2.9
221.15482	4.9
223.14854	5.3
223.16876	2.5
225.16452	5.8
227.17940	5.4
229.15968	4.7
229.19539	2.1
231.17601	3.4
235.14804	1.9
235.17007	2.0
237.16408	3.0
239.17946	3.8
241.15887	1.6
241.19479	4.2
243.17429	3.8
243.21136	2.4
247.14925	2.4
251.18063	2.3
253.19556	2.9
255.21155	5.0
257.19101	2.1
263.17996	1.9
265.19644	3.0
267.21063	3.1
269.22787	3.2
279.21216	2.7
281.19040	2.0
281.22610	1.7
283.20755	1.8
293.22687	1.8
297.22150	1.3
299.04379	1.2
299.20251	2.2
305.22397	1.3
317.22653	1.6
321.25970	2.1
333.25681	1.5
335.23764	5.6
338.09641	1.3
339.26883	2.6
349.25198	2.1
351.26791	4.5
353.24826	3.3
365.28305	3.1
387.30518	6.6
393.31656	6.5
395.32941	2.2
405.31601	24.6
423.32632	100.0
424.32895	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.4
57.07068	3.5
58.39986	1.5
59.89098	1.7
67.05512	14.0
69.03416	1.7
69.07071	12.9
70.50419	5.1
79.05497	16.7
81.07058	21.6
83.08628	5.2
91.05479	16.5
93.07049	27.3
95.04973	2.9
95.08614	39.7
97.06545	5.7
99.08103	22.1
105.07042	35.3
107.08601	50.1
109.06501	2.9
109.10159	22.2
111.08091	4.0
117.07031	10.2
119.08588	59.1
121.06510	2.0
121.10153	35.8
123.08046	3.3
123.11703	11.5
125.09658	3.1
127.07595	4.5
128.06224	3.4
129.07004	4.7
130.07796	2.1
131.08574	43.0
133.10144	41.9
135.08073	7.5
135.11713	16.9
137.09644	6.9
137.13295	4.6
142.07822	4.1
143.08578	15.5
144.09357	4.3
145.10133	42.4
147.08064	3.4
147.11670	24.8
149.09624	3.5
149.13257	10.4
151.11188	5.4
155.08589	5.2
156.09410	4.0
157.10161	19.7
158.10918	3.0
159.11717	31.0
161.09637	4.6
161.13281	16.2
163.11182	6.1
163.14867	9.1
164.55424	1.6
165.12788	3.1
169.10164	10.2
170.10939	5.5
171.11696	18.1
172.12448	1.8
173.13269	31.5
175.11249	4.8
175.14841	20.8
177.12793	3.0
177.16353	8.3
181.10153	1.9
183.11687	8.3
185.13272	25.9
187.11147	2.4
187.14830	37.6
189.12709	2.4
189.16377	18.2
191.14401	10.3
191.17976	3.0
195.11800	2.9
197.13219	7.9
199.14825	16.7
201.12741	2.4
201.16397	32.3
203.14325	9.8
203.18031	5.1
205.15910	17.5
207.11816	1.7
207.17517	5.0
209.13347	2.5
210.14154	1.5
211.14891	8.0
213.16328	11.7
215.14441	2.6
215.17998	6.7
217.15900	10.1
217.19504	1.8
219.17499	3.4
221.15427	4.1
223.14940	4.5
225.16478	7.1
227.17966	6.0
229.15938	7.1
229.19472	2.5
231.17503	3.3
237.16455	2.9
239.18044	4.2
241.19562	2.6
243.17543	3.4
245.19012	2.1
251.17920	2.5
253.19559	6.3
255.17505	1.8
255.21126	2.2
259.20697	1.9
267.21161	3.1
283.20590	3.7
291.21124	2.6
293.22952	1.7
295.20544	2.0
300.16833	1.7
305.22708	3.4
333.26013	2.1
335.23785	2.6
351.26767	9.2
387.30554	3.5
405.31586	31.4
423.32626	100.0
424.33109	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.05493	6.8
57.07064	1.6
67.05502	9.5
69.07075	9.7
79.05504	9.9
79.64138	1.6
81.03424	1.5
81.06618	1.6
81.07065	20.4
83.04950	1.9
83.08611	3.5
84.14730	1.6
87.42701	1.3
88.61187	1.3
91.05497	14.8
93.07049	18.9
95.08073	2.2
95.08614	26.8
97.06496	1.8
99.08081	3.0
105.07037	26.7
107.08601	25.5
107.78308	1.4
108.70103	1.4
109.06514	2.7
109.10162	25.5
117.06987	5.3
119.07714	2.0
119.08588	39.6
121.10145	23.8
123.08082	1.5
123.11719	9.0
129.06947	4.3
131.08571	16.8
133.10130	21.3
135.11694	15.4
137.09628	1.9
137.13235	3.7
142.07744	2.3
143.08534	9.3
144.09326	2.7
145.10127	25.2
147.11713	19.0
149.09633	1.6
149.13249	7.5
151.11156	1.7
152.92117	1.5
155.08505	4.6
156.09309	3.0
157.10118	12.8
159.11710	20.7
161.13237	12.7
163.11279	1.5
163.14806	4.4
169.10139	7.7
170.10875	2.4
171.11687	10.0
173.13263	14.2
175.14825	15.1
177.12733	3.1
177.16379	5.7
181.10196	2.1
182.11049	1.5
183.11702	10.7
185.13257	12.5
187.14844	20.0
189.16441	8.3
191.17938	2.5
193.15883	2.4
195.11618	3.3
197.13297	7.8
199.14815	15.5
201.16391	16.1
203.14197	2.6
203.17894	3.7
205.15910	10.1
209.13252	4.2
211.14799	9.7
213.16357	12.4
215.14374	1.6
215.17883	3.8
217.15833	2.5
217.19478	1.5
219.12709	1.6
223.14864	2.5
223.16962	1.8
225.16438	7.9
227.17908	4.6
229.15976	3.6
231.17329	1.8
233.18907	2.8
237.16339	2.4
238.17233	1.9
239.17900	5.9
240.18729	1.5
241.19547	4.0
251.18066	3.0
253.19502	19.9
255.17453	2.4
255.20995	4.5
265.19470	1.8
267.21008	5.1
301.21713	2.6
387.30356	5.7
405.26691	2.5
405.31464	21.6
423.32462	100.0
424.33115	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	423.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.05513	14.5
57.07064	4.0
66.61129	1.9
67.05507	18.9
68.45405	2.0
69.07078	17.8
69.28391	1.8
69.56236	9.1
69.56639	2.9
79.05499	18.9
81.07062	31.2
83.04980	3.2
83.08620	8.0
85.06546	2.2
91.05489	26.7
93.07050	35.9
95.04994	4.4
95.08617	44.4
97.06528	5.0
97.10168	3.9
98.20834	4.0
99.08093	16.8
103.05494	2.5
105.07034	58.4
105.07694	4.1
107.08599	52.6
109.06522	4.5
109.10176	25.9
111.08076	3.9
116.06326	2.3
117.07011	10.9
119.08584	72.8
121.06492	5.2
121.10155	38.7
123.08094	5.3
123.11723	9.0
125.09643	2.6
128.06271	3.9
129.07011	6.8
131.08574	64.0
131.09552	3.7
133.10138	42.8
135.08061	6.2
135.11690	15.3
137.09641	5.3
137.13271	3.7
141.07040	4.1
142.07747	4.2
143.08560	21.2
144.09384	5.8
145.10132	69.3
147.08057	3.5
147.11696	55.8
148.22633	2.0
149.09636	5.0
149.13271	20.5
151.11230	4.3
155.08592	7.3
156.09377	4.7
157.10149	25.9
158.10898	5.3
159.11711	48.5
161.09660	7.6
161.13261	20.6
163.11256	4.1
163.14830	18.5
165.12755	5.0
169.10132	9.4
170.10950	9.6
171.11703	21.0
172.12422	2.4
173.13277	61.4
175.11209	5.3
175.14839	26.8
177.12778	7.9
177.16420	17.3
179.08693	2.6
181.10168	3.8
183.11722	13.2
184.12482	3.8
185.13254	26.9
187.11267	2.4
187.14836	74.7
187.16481	4.1
189.12784	6.0
189.16399	18.6
191.14320	26.1
191.17990	2.2
193.15871	2.4
195.11671	4.6
197.13345	9.3
198.13976	2.2
199.14833	25.5
201.12756	3.8
201.16397	55.0
203.14302	14.2
203.17957	10.6
205.15936	7.3
207.11760	3.0
207.17433	4.0
208.12550	2.2
209.13362	5.1
211.14868	7.5
213.16357	12.9
215.14369	3.2
215.18079	7.2
217.15964	5.4
217.19537	3.0
221.13464	3.4
221.15436	13.2
223.14838	3.5
225.16402	3.1
227.17978	5.9
229.15973	4.4
229.19557	4.3
231.17491	5.7
235.65663	1.8
239.18027	3.3
241.15886	3.0
243.17624	3.2
251.18225	2.4
253.19594	7.6
255.21152	4.6
258.27106	2.3
265.19653	3.0
267.21127	4.6
271.20737	4.5
272.76804	1.9
281.18909	3.2
283.20587	20.2
301.21448	2.3
333.26047	3.2
335.23685	2.6
351.26895	17.8
372.91925	1.9
377.32355	2.7
387.30429	5.8
393.31604	4.2
405.31616	29.1
423.32712	100.0
424.32968	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	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.05507	6.2
57.07070	4.0
67.05504	14.5
69.07076	10.6
69.57706	9.1
69.58110	2.8
79.05491	19.0
81.07059	23.5
83.04961	1.9
83.08624	6.1
85.06538	2.8
91.05484	21.9
93.07049	38.8
95.04984	2.9
95.08614	31.7
97.02856	1.7
97.06551	3.1
99.08095	24.1
103.05408	1.8
105.07041	33.9
107.08600	55.7
109.06509	1.8
109.10162	27.5
111.08067	2.8
117.07015	9.7
119.08588	54.9
121.10149	34.7
123.08058	4.0
123.11713	12.1
125.09651	2.7
128.06221	4.4
129.07018	4.6
131.08575	39.3
133.10143	41.4
135.08095	2.9
135.11700	22.8
137.09630	6.6
137.13240	3.1
139.11157	1.8
141.06946	3.2
142.07768	5.8
143.08580	18.0
144.09325	2.6
145.10121	31.0
147.11694	96.1
149.09663	2.1
149.13268	7.9
151.11188	6.4
153.12753	2.8
155.08585	7.1
156.09325	8.0
157.10133	22.7
158.10970	2.7
159.10478	2.3
159.11713	29.6
161.09589	2.6
161.13264	17.6
163.11205	2.1
163.14847	4.7
165.12773	10.3
167.08629	1.9
168.09383	2.6
169.10146	13.4
170.10916	8.3
171.11708	25.5
172.12404	1.8
173.13275	38.4
175.11211	4.1
175.14870	10.0
177.12732	7.3
177.16423	6.1
179.14354	3.5
181.10179	5.6
182.10910	3.6
183.11699	17.6
184.12495	3.2
185.13261	33.2
185.65012	1.7
187.11230	2.2
187.14822	20.7
189.16318	7.9
191.14377	3.1
195.11682	5.0
196.12508	2.0
197.13245	15.2
199.14832	26.1
201.12727	4.4
201.16389	15.9
203.14304	7.2
203.17918	3.5
205.15947	7.7
207.11771	2.1
207.17497	5.3
209.13269	8.1
211.14822	12.4
213.16367	9.8
215.14378	7.6
215.17891	8.0
217.15912	7.4
221.13312	4.8
223.14844	5.0
225.16415	6.7
227.14392	2.0
227.17909	6.7
229.15915	3.4
229.19551	1.7
231.17459	3.2
233.19038	1.9
235.14842	3.0
237.16393	4.6
239.18004	5.7
241.19550	4.0
243.17480	6.6
243.21214	2.2
251.17964	3.6
253.19505	10.3
255.17595	3.7
255.21111	1.8
257.19019	4.1
259.20657	4.5
261.16425	2.9
263.17929	3.3
265.19589	5.1
267.21201	3.7
269.19116	1.5
271.20520	7.6
277.19452	2.4
279.21176	1.5
283.20587	70.4
284.20871	1.8
285.22162	3.6
293.22531	2.1
295.20605	2.1
297.22281	1.5
301.21646	1.9
307.24088	2.0
321.22104	1.9
321.25824	2.0
325.25266	2.2
333.25830	4.0
335.23761	6.3
339.26868	3.3
349.25177	2.1
351.26807	39.5
387.30435	4.3
393.31458	4.0
400.41907	1.5
405.31549	34.2
406.31833	1.9
423.32645	100.0
424.18262	1.5
424.33130	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
54.37827	1.0
55.05505	9.7
57.03436	1.6
57.07070	1.9
67.05501	11.9
69.03423	2.1
69.07071	13.4
70.06573	1.1
71.50217	1.6
79.05492	13.3
81.03393	1.7
81.07054	28.1
83.04959	2.3
83.08615	3.9
84.28331	1.1
85.06549	1.2
91.05477	22.6
93.07045	28.6
95.04961	5.0
95.08611	39.1
97.02934	1.5
97.06547	3.6
97.10192	2.7
99.08097	2.6
103.05427	1.9
105.07033	56.4
107.04962	2.1
107.08594	39.8
109.06525	3.5
109.10163	19.3
111.08094	2.5
115.05453	2.4
116.06250	1.3
117.07022	9.4
119.08584	54.9
121.06508	5.7
121.10139	25.0
123.04445	1.3
123.08073	5.3
123.11710	4.8
127.03921	2.6
128.06219	2.0
129.06989	6.6
130.07816	2.9
131.08566	56.5
133.10132	32.0
135.08041	6.8
135.11708	11.7
137.09624	2.8
139.03906	2.0
142.07784	4.4
143.03418	1.6
143.08574	12.3
144.09338	3.5
145.10124	72.6
146.07330	1.2
146.10912	1.3
147.08101	2.2
147.11690	23.9
149.09657	4.2
149.13264	19.8
149.81848	1.1
151.11191	1.5
155.08548	3.6
156.09328	3.4
157.10139	19.3
158.10887	3.9
159.08156	1.2
159.11703	43.3
161.09627	4.4
161.13249	17.6
163.11134	5.7
163.14848	18.8
165.12755	2.2
167.10683	1.5
169.10153	4.6
170.10919	3.6
171.11671	13.1
172.12393	2.7
173.06126	1.0
173.09631	1.8
173.11771	2.5
173.13268	49.2
174.13582	1.9
175.03853	1.2
175.11205	3.6
175.14827	28.5
177.12784	4.4
177.16393	17.0
179.14343	1.6
181.10092	2.0
182.10936	1.1
183.11673	7.2
185.04459	1.2
185.13246	14.5
186.13942	1.5
187.14827	100.0
188.15269	1.6
189.12741	5.6
189.16396	15.0
191.14305	33.4
193.15927	3.8
195.11642	2.3
197.13339	3.4
199.14792	11.4
201.16385	70.3
201.85065	1.1
203.14323	15.9
203.17963	11.0
205.14278	1.1
205.15872	7.0
205.19481	1.6
209.13219	1.4
211.14868	2.9
213.16406	13.2
215.14391	1.9
215.17984	4.7
217.15854	3.3
217.19510	4.0
219.17625	1.5
221.15349	17.5
223.14832	1.9
223.16914	2.2
225.16418	1.7
227.17883	3.8
229.15883	2.2
229.19548	3.7
231.17464	3.9
233.15388	1.8
239.17941	1.7
241.08702	1.3
241.19614	3.3
243.17488	2.1
243.21155	2.3
245.19199	1.6
247.16962	3.2
249.18550	1.9
251.17958	1.4
253.19409	1.4
255.21077	2.7
265.19653	1.4
267.21371	1.7
271.06143	1.5
307.24069	1.2
365.28442	2.6
387.30511	3.0
393.31601	2.4
405.31540	16.0
423.32639	74.2
424.32962	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
53.38568	1.3
55.01867	2.3
55.05513	14.7
56.56686	1.4
57.07066	2.6
65.03939	3.0
66.47068	1.4
66.76008	1.3
67.05505	20.7
69.03428	2.9
69.07071	16.6
71.04976	1.7
71.49748	1.4
79.05495	17.4
81.03431	2.0
81.07059	38.7
83.04980	5.7
83.08620	7.0
85.06557	2.6
87.36499	1.3
91.05484	30.2
92.88021	1.3
93.06586	1.0
93.07047	43.8
95.04967	7.5
95.08613	49.4
97.02913	1.3
97.06520	6.7
97.10175	2.8
98.24636	1.5
99.08099	11.5
103.05426	1.8
105.06310	2.5
105.07031	55.1
107.04973	4.0
107.08598	57.0
109.06524	6.7
109.10166	23.7
110.12212	1.4
111.08087	4.9
113.09639	2.2
117.07008	11.7
119.08584	78.0
121.06497	6.6
121.09332	3.1
121.10148	36.8
123.04436	3.5
123.08107	8.5
123.11728	8.7
125.09655	5.5
127.03910	2.3
127.11303	1.6
128.06219	4.5
129.07021	8.3
131.08575	43.6
133.06454	1.5
133.10139	36.8
135.08060	5.1
135.11681	15.1
137.05965	1.7
137.09636	3.8
137.13272	1.8
139.03990	2.5
139.11192	5.7
141.07039	3.8
142.07759	7.9
143.08571	23.3
144.09375	3.8
145.10130	53.1
147.04431	1.8
147.08034	3.6
147.11690	31.0
149.06116	1.9
149.09634	5.2
149.13249	11.9
151.11186	1.7
155.08559	8.3
156.09340	5.9
157.10133	30.9
158.10880	5.1
159.08099	3.8
159.11711	36.1
161.09642	5.4
161.13255	17.0
163.11215	6.0
163.14807	11.9
167.07076	1.4
167.08566	3.8
169.10124	12.5
170.10970	3.8
171.11703	23.4
172.12492	3.1
173.09656	3.3
173.13272	35.1
175.11214	5.7
175.14844	18.6
177.12782	5.1
177.16402	5.3
179.14203	2.2
180.09520	1.5
181.10139	4.3
182.10941	2.5
183.11681	15.1
185.13246	20.0
187.11191	3.7
187.14832	65.3
189.12796	3.9
189.16373	11.8
191.14330	4.5
194.10876	1.7
195.11754	5.8
197.13274	10.1
198.14252	1.7
199.14815	14.3
201.12808	5.0
201.16399	51.8
203.14343	8.6
203.18027	6.6
205.15903	8.7
207.11746	2.3
208.12561	1.6
209.13321	7.2
211.14822	11.5
212.15173	2.1
213.12741	2.0
213.16386	11.2
215.14397	5.9
215.17963	7.1
217.15897	6.0
217.19527	2.2
221.13284	4.4
221.15401	3.5
223.14853	4.9
223.16859	1.5
225.16417	5.2
227.17998	8.0
229.15962	5.5
229.19522	2.1
231.17473	3.6
233.13240	2.5
235.14822	3.9
237.16374	4.4
239.17950	5.0
241.19579	4.9
243.17519	6.1
243.21133	1.9
245.18896	1.5
249.16438	2.9
251.17937	2.9
253.19623	4.5
255.17453	1.8
255.21170	5.1
257.19046	3.2
265.19632	3.2
269.19012	1.8
271.06064	3.4
271.20551	2.4
275.17957	2.0
277.19421	1.9
279.21091	2.7
281.19189	3.0
283.20743	3.5
297.22250	1.9
305.22726	2.4
309.21976	2.1
311.23904	2.0
313.25586	1.9
321.22131	2.0
333.25833	3.6
335.23700	3.4
349.25482	2.8
351.26675	8.0
365.28369	6.8
387.30530	4.1
393.31592	2.9
395.33041	1.7
405.26749	2.3
405.31601	25.1
423.10806	1.9
423.32666	100.0
424.33005	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	423.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87915	3.1
55.05507	7.5
57.07087	8.2
61.25960	4.5
67.05503	13.6
69.07069	13.8
69.45518	23.3
72.08172	37.7
79.05492	16.3
81.07072	28.0
83.08639	8.1
85.06509	4.5
86.09702	7.5
91.05486	27.6
93.07047	49.6
95.08614	39.8
98.36438	3.4
99.08107	17.3
105.07032	46.8
107.08604	78.0
109.10171	18.0
111.08053	4.1
117.07021	9.0
119.08590	70.7
121.10146	41.4
123.11719	14.8
125.09615	6.9
129.07011	7.7
131.08575	31.6
133.10146	48.0
135.11694	23.4
137.13254	5.8
139.11218	5.4
142.07771	10.0
143.08531	14.3
144.09340	4.5
145.10120	31.3
147.11716	34.2
149.09605	6.0
149.13269	7.6
151.11206	5.1
155.08492	3.7
157.10117	26.1
159.11723	35.9
161.13255	16.0
163.11131	4.5
163.14827	7.9
168.09332	3.8
169.10152	8.4
171.11708	23.0
173.13283	23.3
175.11104	3.7
175.14850	12.5
181.10124	4.0
183.11719	12.4
185.13246	15.4
187.14821	29.3
191.14452	4.8
193.10135	4.4
195.11662	8.8
196.12315	4.3
197.13254	17.0
199.14830	16.9
201.16354	10.2
207.11676	5.0
209.13326	12.7
211.14867	11.7
213.16397	14.2
215.17923	7.0
217.15909	7.7
221.13274	7.7
223.14825	7.5
225.16495	6.2
227.17984	7.5
229.19511	3.9
231.17555	6.9
235.14851	7.1
237.16476	6.6
239.17764	4.3
243.17567	4.9
251.17932	8.3
253.19304	7.2
261.16339	4.8
277.19556	10.5
283.20435	6.5
290.20383	4.8
293.22507	5.2
295.20721	4.4
333.25742	18.1
349.25256	8.8
351.26865	32.8
365.28268	8.6
380.27383	5.2
387.30420	4.9
405.31439	48.4
423.32318	100.0
424.32843	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.9
57.07086	3.6
62.62415	1.6
67.05511	14.2
69.07071	11.0
70.24059	5.8
71.05016	1.8
79.05501	12.1
81.07060	28.4
83.01822	1.6
83.04996	4.1
83.08615	4.8
85.06551	2.9
91.05469	12.8
93.07052	25.5
95.04977	4.7
95.08616	33.9
97.06528	2.9
98.20865	2.0
99.08089	10.4
105.07042	31.3
107.08601	40.2
109.06538	3.0
109.10165	18.8
111.08056	2.2
113.05990	4.4
117.06989	5.1
119.08587	46.8
121.10150	29.0
123.08082	4.9
123.11715	17.9
125.09629	2.0
128.06264	3.0
129.07019	2.6
131.08574	29.9
133.10146	31.4
135.08076	6.2
135.11700	29.6
137.09608	3.7
137.13283	3.8
142.07785	2.5
143.07646	1.5
143.08588	9.6
145.10121	33.2
145.11168	2.3
147.08104	4.5
147.11700	21.7
149.09602	5.3
149.13277	16.2
151.07468	1.5
151.11192	2.5
155.08655	2.6
156.09296	2.5
157.10146	16.8
158.10852	4.0
159.11711	25.7
159.12901	2.3
161.09631	4.0
161.13268	14.0
163.11223	3.8
163.14830	12.0
169.10162	6.1
170.10916	2.2
171.08145	1.7
171.11705	8.9
172.12502	2.1
173.09621	3.0
173.13278	22.0
175.11221	3.5
175.14813	11.5
177.12755	2.3
177.16393	5.9
181.10130	3.6
183.11710	6.2
185.13234	13.4
187.14844	42.9
189.16408	20.6
191.14314	4.1
191.18028	2.0
195.11751	2.8
197.13242	5.5
199.14847	14.4
201.12668	2.5
201.16409	28.1
203.14377	5.9
203.17917	7.0
205.15938	7.8
207.17490	2.0
209.13290	2.4
211.14856	7.6
213.16405	7.2
215.14261	1.9
215.17961	4.7
217.15897	4.9
219.13885	2.7
221.13399	1.9
221.15401	2.9
223.14931	3.9
225.16403	3.5
227.18073	2.9
229.15747	8.1
229.19456	2.6
231.17429	4.6
239.17975	2.3
241.19606	2.1
243.17383	4.0
245.18910	1.8
247.16682	1.9
249.16525	2.1
251.17897	2.9
253.19514	2.0
255.21265	2.6
257.19095	1.9
269.18970	2.7
283.20581	3.1
317.22342	2.4
333.25827	3.0
351.26825	5.4
387.30609	5.0
393.31525	2.2
405.31561	29.3
423.32602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.05514	8.6
57.07065	2.4
59.04993	2.3
61.04246	1.7
65.03950	3.6
67.05505	21.8
69.07076	14.4
70.23560	5.8
79.05495	17.6
81.06602	2.0
81.07062	36.3
83.04958	2.2
83.08624	9.0
85.06546	3.5
91.05489	18.6
93.07044	41.6
95.04945	3.7
95.08606	39.0
97.06543	3.2
97.10193	2.6
99.08100	21.3
105.07033	33.3
107.07886	2.7
107.08598	51.2
109.06529	3.3
109.10173	30.0
111.08073	5.3
117.07005	10.5
119.08588	54.3
121.06512	2.2
121.09346	3.0
121.10155	38.8
123.08054	3.9
123.11687	12.3
125.09621	3.4
127.07516	3.1
129.07013	7.1
130.07790	3.1
131.08569	30.4
133.10136	41.8
135.08069	3.9
135.11708	22.0
137.09621	4.9
137.13280	3.0
139.11205	2.0
141.06961	3.8
142.07767	3.9
143.08559	18.2
144.09361	2.7
145.10120	38.0
147.08081	1.8
147.11696	81.3
149.09589	2.5
149.13283	10.3
151.11177	7.2
155.08533	6.9
156.09355	6.3
157.10146	25.5
158.10896	4.0
159.11693	28.9
161.13264	20.0
163.11192	4.1
163.14824	6.8
165.12764	7.3
169.10104	11.2
170.10947	5.1
171.11671	22.8
172.12402	2.3
173.13271	31.0
175.14835	9.7
177.12787	5.8
177.16389	5.5
180.60959	1.7
181.10109	4.1
182.10840	1.9
183.11713	19.5
184.12358	2.8
185.13275	30.1
187.10968	1.9
187.14833	25.4
189.12810	2.6
189.16386	10.0
191.14326	4.0
193.10185	1.9
195.11716	5.7
197.13254	14.4
199.14853	22.2
201.12790	5.7
201.16405	16.4
203.14287	5.5
203.18030	3.9
205.15866	14.4
207.11560	2.3
209.13263	4.6
211.14827	8.5
213.16370	11.4
215.14311	7.7
215.17978	5.4
217.15887	8.9
223.14778	4.7
225.16400	7.6
227.14308	2.6
227.17896	4.5
229.15849	4.1
229.19519	2.8
231.17435	4.3
235.14780	2.9
237.16406	6.9
239.18024	5.9
241.15904	2.9
243.17416	4.2
245.18962	2.2
251.17949	2.8
253.19496	10.3
255.17371	2.1
257.18948	4.4
259.20560	4.3
263.17880	2.7
265.19522	5.5
267.21259	4.5
269.19110	2.9
271.20566	6.5
279.21082	2.8
281.22491	2.6
283.17435	3.3
283.20569	54.0
284.20734	2.3
293.22592	2.3
297.22037	2.1
301.21695	2.6
311.23837	2.4
319.23718	2.0
323.23611	1.9
333.25586	2.5
335.23868	2.7
351.26868	27.7
365.28372	2.0
387.30469	5.3
393.31378	3.8
405.31607	27.9
423.32623	100.0
424.33112	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	423.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.05512	11.0
57.03413	2.4
57.07077	4.0
65.03940	3.9
67.05181	2.4
67.05508	24.7
69.07072	12.8
69.32745	16.2
71.04987	1.9
77.72652	1.7
79.05493	18.1
81.03389	2.3
81.07056	32.3
83.04992	2.4
83.08620	7.2
83.14101	1.7
85.06532	2.9
91.05482	17.9
93.07045	34.5
95.04958	3.2
95.08609	36.3
97.06498	3.6
99.08092	11.0
101.87061	2.0
103.05473	2.1
105.07030	40.5
106.72655	1.8
107.08601	49.3
109.06534	3.0
109.10174	26.7
111.08121	4.3
113.06017	2.0
117.07054	9.4
119.08588	50.4
121.06516	2.1
121.10153	42.8
123.08101	4.5
123.11706	13.5
125.09617	2.4
127.07545	2.3
128.06200	2.6
129.07047	5.4
131.08578	33.4
133.10138	38.4
135.08084	4.8
135.11691	21.2
137.09630	5.3
137.13255	4.5
139.11221	3.3
141.06966	3.0
142.07774	5.9
143.08585	14.8
145.10133	31.7
147.11690	25.5
149.09648	4.8
149.13274	14.2
151.11230	3.2
155.08606	4.1
156.09320	3.4
157.10104	19.4
158.10922	3.9
159.11702	26.1
161.13248	15.0
163.11209	4.8
163.14851	8.2
169.10132	8.8
170.10878	3.2
171.11694	17.3
173.13268	29.2
175.14799	16.4
175.91080	2.1
177.12808	5.4
177.16415	11.5
179.14375	2.8
183.11685	11.1
184.12433	3.0
185.13252	21.1
187.11380	2.8
187.14851	24.2
189.12747	5.1
189.16409	16.8
191.14328	7.7
195.11780	3.9
197.13260	11.7
199.14841	16.0
201.12785	3.2
201.16428	14.8
203.14362	6.7
203.17966	4.6
205.15967	8.2
207.11679	2.3
209.13304	4.2
211.14848	7.0
213.16347	12.2
215.14368	2.1
215.17938	10.0
217.15935	9.2
221.13350	2.1
223.14870	3.1
225.16432	5.2
227.18018	3.6
229.15932	4.3
231.17549	3.8
237.16347	3.8
239.18005	5.5
241.19551	3.7
242.82146	1.8
243.17558	3.1
243.21190	2.2
245.19011	2.3
247.23668	1.7
251.17862	2.3
253.19550	8.9
255.21167	2.4
257.18991	3.3
259.17007	2.7
267.21030	2.6
269.19012	4.2
283.20639	5.5
305.22812	2.4
307.24298	2.3
311.23575	3.0
317.22510	2.5
327.23230	3.2
333.25717	4.3
335.23801	3.3
344.81808	2.2
351.26926	17.4
387.30377	4.6
393.31580	4.7
405.27539	2.2
405.31668	25.9
423.28201	7.6
423.32645	100.0
424.32956	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01160	4.7
67.05512	2.9
69.03436	2.5
71.48998	2.4
72.04511	10.9
73.02931	2.7
78.03786	21.0
81.07043	4.1
85.02901	9.5
88.02215	5.0
91.05482	6.0
92.05809	2.0
93.43472	2.0
97.02914	2.5
99.04462	4.9
102.03783	22.9
103.02161	3.6
103.03945	15.0
109.02871	3.3
114.03745	4.4
114.05521	2.3
120.04819	3.9
121.54798	1.9
123.04447	2.7
124.07547	2.5
126.05506	16.7
127.03895	6.6
131.06366	11.1
132.04803	12.1
141.06619	3.0
142.08614	4.8
147.04434	2.3
147.11691	1.9
149.07448	56.9
152.07149	3.2
154.08661	2.9
159.05942	3.1
163.03860	3.3
175.05484	4.2
180.06599	11.9
198.07567	3.0
231.11652	3.7
257.09784	2.6
261.12668	2.7
273.03787	2.4
275.10403	3.6
293.11661	100.0
327.09854	3.8
345.10837	5.1
387.11493	3.5
405.12640	4.5
405.17044	31.9
423.13623	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43343	2.2
56.96565	69.8
57.03424	3.2
58.99834	2.7
63.81282	2.1
68.98289	4.7
69.03432	6.0
69.76824	12.8
70.98119	41.8
70.99842	4.7
71.95253	6.9
72.96048	3.5
74.53275	2.2
74.97622	2.6
78.47128	2.2
81.03397	6.6
82.99848	9.8
84.96017	7.7
85.01402	2.4
85.02899	12.5
86.09663	2.5
88.99160	17.9
93.42583	2.3
94.99815	2.5
97.01387	4.7
97.02893	15.4
98.97585	100.0
100.99127	3.4
101.00880	45.7
102.00959	2.4
109.02847	4.1
110.97577	37.5
112.05060	2.9
112.99164	7.1
113.00874	24.3
115.02432	16.2
116.98600	20.6
119.01914	35.3
124.95492	34.7
124.99100	3.1
125.00880	3.5
126.97048	4.7
127.02427	21.8
127.03914	3.6
128.98607	59.7
129.00323	7.6
129.03981	6.8
131.00188	4.9
131.01918	28.8
133.01674	5.2
133.03415	13.1
134.99718	2.4
137.00880	7.0
139.02364	12.0
140.98607	11.4
141.03931	3.6
142.96547	21.5
143.00209	5.5
143.01898	35.3
144.98073	3.5
145.01714	3.3
145.03468	53.8
146.99655	52.8
147.01358	13.2
147.05013	3.5
149.01117	3.5
149.02945	3.9
152.94939	11.9
152.98595	4.6
153.00392	3.9
153.03935	3.5
154.96507	2.9
155.01904	53.3
156.98087	18.6
157.03477	34.3
158.99646	17.3
159.01340	3.7
159.05016	6.1
160.97632	3.9
161.01605	3.1
161.02956	21.5
163.04517	2.9
165.00681	12.5
167.01889	26.6
168.99800	4.9
169.03470	11.6
170.96036	36.3
170.99646	8.3
171.01382	17.3
171.05048	6.8
172.97566	6.5
173.01564	4.2
173.02962	31.7
174.99149	32.7
175.02922	3.0
175.04497	10.2
175.07442	2.8
177.00749	5.7
179.00436	2.5
179.01907	9.9
181.03477	7.0
183.01392	4.6
184.97603	6.4
185.02951	55.6
186.99118	7.1
187.00818	5.4
187.04535	14.2
188.97089	35.9
189.00691	25.3
189.02469	11.0
190.98586	3.7
191.02121	2.5
191.03911	3.6
193.00224	15.4
195.01419	4.4
197.02959	25.8
199.00858	5.5
199.04570	9.7
201.00722	5.6
201.02460	4.3
202.98663	20.1
203.04028	27.7
205.00198	12.4
205.05580	3.5
206.98152	6.4
207.01639	15.1
209.02942	7.4
211.04515	4.3
213.02490	8.2
214.98636	6.9
215.00452	3.3
215.03993	19.9
217.00168	7.6
217.02022	7.9
217.05547	4.3
219.01778	32.2
219.03712	4.5
220.99777	16.0
221.03102	4.6
221.05045	19.0
223.01155	9.3
223.04630	3.4
225.02451	11.5
225.23642	2.5
227.03960	9.6
230.97971	7.7
231.03510	6.8
233.01529	4.5
235.01193	5.5
235.06639	21.6
237.02704	21.3
239.03993	3.5
241.02016	6.5
242.98131	10.7
243.03488	4.5
244.99641	7.6
245.05069	26.2
247.01186	7.6
251.02368	5.5
253.01945	6.7
253.07727	7.2
255.03484	5.0
257.05151	4.4
259.02887	4.7
260.99133	9.4
263.00714	7.9
263.06152	10.6
265.01932	3.8
265.06009	4.5
270.97546	13.3
271.02960	7.6
273.04459	7.4
275.00406	6.9
275.02722	8.9
275.06207	6.2
277.02582	11.7
277.07779	75.7
279.03503	4.1
279.09201	2.9
281.01794	4.7
283.02832	3.7
284.95538	4.1
285.04504	4.2
287.06104	3.4
288.98636	26.4
292.09451	3.3
293.01831	9.1
295.03284	8.0
295.07016	27.0
298.97049	12.8
299.02542	3.9
301.03995	9.2
303.00320	19.3
303.05594	12.8
305.07706	12.4
305.10568	4.3
307.08826	7.7
311.02502	5.7
315.05533	9.2
316.98105	20.1
319.08911	3.8
321.01343	13.0
323.06494	5.0
325.04193	4.6
329.03198	2.5
330.99686	9.6
331.05078	8.4
333.06650	7.2
335.08334	5.2
343.05167	11.1
347.08203	49.5
349.00909	4.8
355.05130	4.1
359.04523	21.8
363.07898	12.0
375.07748	57.1
376.07983	4.5
387.07742	2.6
391.07254	84.0
393.08694	5.4
405.08264	3.2
423.10178	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73760	9.3
67.05482	10.7
69.03437	19.1
69.07062	16.1
71.00668	10.0
71.00982	13.3
71.05009	9.9
81.07049	18.6
82.02737	7.8
83.04995	12.7
85.02905	17.7
92.93039	7.9
93.07041	24.1
95.04975	18.5
95.08599	28.1
99.04458	28.2
105.07037	24.5
106.02910	9.2
107.08595	18.1
109.06532	13.5
109.10159	36.6
119.08554	24.9
121.10137	48.2
123.08064	36.7
123.11675	11.8
135.11702	8.9
137.09618	39.3
137.13268	10.4
147.11684	20.8
149.09637	19.8
155.10674	9.8
161.13216	36.0
163.11212	27.3
165.12650	17.7
177.12820	11.6
181.12186	10.6
189.12775	24.5
195.13840	41.8
207.13831	30.5
225.14870	100.0
234.99074	9.2
239.31476	9.4
243.15965	21.2
264.06754	7.8
272.99664	9.2
298.00250	10.1
298.17749	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	422.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81068	2.1
55.01870	2.6
55.17108	2.4
57.33122	2.3
67.05502	3.5
70.13244	7.1
74.15746	2.4
78.03447	3.3
79.05486	7.1
81.07040	5.2
83.96236	2.3
85.02905	2.8
91.05489	25.1
93.07063	8.7
94.04174	2.6
95.04974	4.3
97.02894	3.4
99.08080	3.2
103.05482	19.8
105.07042	18.1
106.02959	4.6
107.04964	46.8
107.08582	3.6
109.02981	2.3
109.10181	2.4
115.05466	6.8
119.04958	20.9
119.08575	3.5
120.82169	2.4
121.06510	9.7
121.10175	2.9
122.03664	6.3
123.08064	5.5
123.34293	2.1
124.03954	13.5
126.85062	2.2
129.07034	4.1
131.04941	11.9
133.02817	2.7
133.06499	9.5
133.10161	3.3
135.08078	15.0
137.05989	100.0
144.01166	2.6
146.07248	3.5
147.04428	22.5
149.06004	9.1
149.13313	3.8
150.06764	6.2
151.07556	33.4
153.09129	3.0
157.06496	3.5
161.06001	75.5
161.09625	15.9
162.06795	11.1
163.07558	72.0
165.05652	2.9
175.07529	8.7
177.12793	8.5
179.07068	9.6
181.08623	27.5
181.12325	2.6
189.09143	45.5
189.12646	2.9
193.15904	3.7
195.08131	4.7
195.13760	2.5
207.10173	77.5
219.10179	7.5
221.06097	2.4
221.09483	2.9
225.14771	4.5
227.10533	7.2
237.09177	2.7
243.15955	5.4
255.10228	4.6
265.08829	2.7
268.08105	12.6
285.11264	5.1
287.12781	19.9
297.11099	3.1
299.12997	3.6
311.12808	18.5
313.14404	19.5
331.15384	30.7
343.15369	9.5
426.76956	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	421.3677
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
Peak:m/z	Relative Intensity
50.13469	2.1
53.03932	2.3
54.82755	2.2
55.05514	38.3
57.03424	4.5
57.07078	36.6
64.66258	2.4
67.05508	18.6
69.07069	51.7
71.08628	24.9
71.50252	2.3
71.50690	4.0
79.05491	6.3
81.07055	32.3
83.04984	56.6
83.08617	28.7
83.51476	2.1
85.06496	3.3
85.10175	12.6
89.06040	8.3
91.05479	10.1
93.07037	15.3
95.04988	2.7
95.08614	32.5
97.10169	15.9
98.98503	3.0
105.07030	16.0
107.08615	17.7
109.06527	8.6
109.10168	20.5
111.08091	8.0
111.11721	7.4
119.08591	17.1
121.10159	13.5
123.08074	12.9
123.11744	11.3
131.08618	2.4
133.08591	4.5
133.10118	13.1
135.08078	10.4
135.11687	8.4
137.05972	29.1
137.09610	6.9
137.13266	5.7
139.07567	12.8
145.10139	4.2
146.07243	3.5
147.11653	14.5
147.51178	2.2
149.09633	6.1
149.13254	4.8
151.07611	8.1
151.11201	6.3
153.09061	4.7
155.00990	2.7
155.07054	3.0
157.10123	5.0
159.11694	4.2
161.09621	24.3
161.13245	13.1
163.14787	3.1
165.09177	4.5
165.12766	6.3
171.11757	3.0
173.13295	4.7
174.10362	2.9
175.11215	14.2
175.14841	5.0
177.12778	6.3
179.10710	4.6
183.04211	3.1
187.14795	3.2
189.12764	21.6
193.12227	4.5
199.14896	2.8
201.86749	2.3
203.14392	3.6
207.13791	5.8
285.82220	2.4
296.92697	2.6
357.35132	3.9
358.93094	2.4
375.36298	46.3
385.34729	16.9
403.35736	100.0
404.36099	4.7
421.31171	5.1
421.36768	89.4
422.37363	3.9
438.84390	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
54.66508	1.2
54.91515	1.3
55.01867	1.3
55.05515	9.2
57.00502	1.2
57.07069	3.0
59.05007	1.7
64.87226	1.0
65.73177	1.3
67.05508	13.2
68.83747	1.2
69.03423	1.5
69.07076	10.9
69.34486	3.6
69.34910	7.5
71.05025	1.5
79.05502	13.3
81.03444	2.7
81.07063	20.1
83.04998	2.9
83.08628	4.2
85.06544	1.8
91.05489	19.6
91.56749	1.2
93.07052	22.6
95.04961	6.0
95.08615	26.9
97.06549	4.9
97.10170	2.2
98.20640	1.5
99.08098	10.4
105.06331	1.4
105.07045	29.3
107.04955	1.8
107.08602	33.2
109.06531	4.1
109.10159	14.8
111.08092	3.7
115.05495	1.7
117.06981	5.9
119.08588	40.7
121.06488	2.8
121.10166	16.0
123.08087	3.8
123.11729	5.2
125.09628	2.7
128.06252	3.6
129.06982	6.7
130.07838	1.2
131.08574	25.4
133.10149	27.9
135.08084	4.6
135.11720	9.5
137.09630	2.4
137.13307	1.9
141.07031	3.5
142.07755	3.9
143.08565	15.3
144.09349	2.6
145.06558	1.8
145.10133	28.3
147.08069	3.4
147.11716	14.6
149.09633	3.0
149.13271	4.8
151.11220	1.4
155.08585	7.2
156.09361	3.8
157.10147	18.9
158.10884	2.1
159.11714	23.4
161.09666	3.6
161.13260	10.7
163.03874	2.2
163.11198	3.1
163.14836	4.2
167.08572	4.4
168.09416	2.3
169.10146	8.8
170.10934	4.8
171.11696	17.8
171.50255	1.2
172.12540	1.3
173.13278	22.5
175.11234	3.8
175.14825	8.5
177.12727	3.2
177.16418	2.0
179.08574	2.1
181.10173	4.1
182.10915	2.4
183.11708	16.4
184.12628	1.9
185.09627	1.9
185.13269	18.0
187.11218	4.1
187.14819	24.6
187.16446	1.5
189.12851	2.7
189.16443	4.9
191.14333	2.6
193.10178	2.6
194.10921	1.7
195.11684	7.9
196.12541	2.0
197.13287	12.5
198.13861	1.6
199.11240	3.4
199.14815	11.2
201.12743	7.3
201.16425	10.5
203.14262	4.0
203.18047	1.9
205.10141	1.5
205.15945	4.6
206.10979	1.5
207.11711	5.4
208.12616	1.8
209.13290	7.9
211.14851	7.9
213.12932	2.1
213.16394	10.5
215.07072	2.5
215.14374	5.8
215.17932	2.8
217.15936	3.2
219.11734	2.9
219.13803	2.7
221.13249	2.0
221.15262	1.4
222.13976	1.7
223.14871	7.5
225.12859	2.4
225.16437	4.8
227.14330	2.3
227.18005	5.8
229.15941	4.2
229.19554	1.7
231.17555	2.6
233.13232	1.9
235.14890	3.4
237.16400	3.6
239.17970	7.5
241.15950	2.4
241.19519	2.6
243.17508	3.3
245.18944	1.4
246.14119	1.4
247.14745	2.2
249.16530	2.6
251.18007	5.5
253.19579	4.0
255.17601	2.7
257.18832	1.4
257.54199	1.2
259.09714	4.2
261.16312	1.6
263.18002	4.5
267.17554	2.4
269.18997	2.7
271.16891	1.3
275.17993	3.4
277.19388	1.9
279.21268	1.8
281.19016	23.3
281.22168	2.0
283.20633	1.4
289.19489	1.5
291.21176	3.1
293.19006	1.7
295.20749	2.3
303.21011	1.7
305.22632	1.9
307.20529	1.5
309.22324	1.9
319.24152	3.1
329.21365	4.2
331.24249	2.4
333.22208	4.3
337.21591	1.7
337.25250	2.2
349.25247	21.3
375.30539	5.8
385.28937	2.7
391.30042	2.7
393.31592	2.9
403.13925	1.5
403.25009	2.2
403.29919	23.0
414.97598	1.3
421.26923	5.0
421.31079	100.0
422.31592	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	421.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72969	2.5
53.03963	3.0
55.05507	10.8
57.07084	2.8
58.00270	2.6
67.05515	18.0
69.07068	12.0
69.57408	6.5
69.57818	12.5
70.95979	3.2
79.05481	18.4
81.07057	31.1
83.04996	2.9
83.08606	8.9
85.06511	4.7
91.05481	27.4
93.07043	38.2
95.04971	3.0
95.08047	4.5
95.08617	38.2
99.08102	40.0
105.07031	42.8
107.08599	50.5
109.10167	34.2
112.49474	2.8
117.07022	16.7
119.07821	4.4
119.08593	61.7
121.06557	3.9
121.10142	44.2
123.08097	5.2
123.11698	11.9
128.06209	4.3
129.07001	15.9
131.08577	59.1
133.10123	46.6
135.08133	6.8
135.11697	16.2
137.09645	10.6
141.06989	4.4
142.07788	9.9
143.08557	30.2
145.10144	39.2
147.11688	30.8
149.09612	5.8
149.13245	6.0
151.11212	11.9
152.73376	3.5
155.08565	7.9
156.09386	6.1
157.10150	37.4
159.11739	31.2
161.09631	6.8
161.13268	10.3
163.14853	4.1
165.06950	3.1
168.09303	3.0
169.10089	17.0
170.10840	5.0
171.11700	27.2
173.13255	51.1
175.11150	6.8
175.14833	15.6
177.12793	4.2
181.10080	6.9
182.10887	4.4
182.56152	3.0
183.11679	13.7
185.13252	22.3
187.14862	28.8
189.16422	11.1
191.14322	3.4
195.11699	9.6
197.13278	9.8
199.14813	9.2
201.12717	4.9
201.16367	21.0
203.14418	4.3
203.17978	12.0
205.15871	9.3
207.11714	5.4
209.13245	5.5
211.14818	11.0
213.16373	60.4
219.13826	3.2
221.13408	3.3
223.14835	5.4
225.16440	7.5
227.17860	3.5
231.17448	50.0
237.16342	5.8
239.18082	4.8
241.15750	4.0
249.16438	4.0
251.17960	6.0
253.19630	2.9
255.17479	3.1
259.04678	3.3
267.17395	5.1
280.29880	3.0
281.18970	8.3
283.20319	3.2
296.08804	2.9
316.31036	3.3
347.23679	4.6
349.25513	5.6
385.28940	5.4
391.29858	17.7
403.29990	79.1
421.26157	5.1
421.30997	100.0
421.36328	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	421.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56699	1.5
53.96539	1.5
55.05502	6.1
59.91924	1.4
61.50311	1.7
67.05492	7.1
68.10009	1.7
68.11544	1.7
69.07062	6.2
69.40580	14.5
71.11176	1.6
79.05495	5.1
81.07077	16.9
83.08615	3.3
91.05480	9.4
93.07042	17.6
95.04958	2.7
95.08608	19.5
97.06556	1.7
99.08082	3.9
105.06404	2.5
105.07045	24.9
107.08598	28.9
109.06530	2.5
109.10168	17.0
117.07036	5.6
119.08587	54.9
121.10146	22.7
123.11751	4.3
125.09629	2.3
129.07028	4.2
131.08589	19.3
133.10136	34.8
133.67392	1.6
135.11710	11.4
142.07797	2.5
143.08562	11.2
145.10133	31.5
147.08069	2.8
147.11674	13.4
149.13290	5.9
153.09177	1.9
155.08534	3.8
156.09366	3.2
157.10161	15.8
158.10823	2.5
159.11697	20.4
161.09610	2.0
161.13280	31.3
163.14859	10.7
169.10175	3.9
170.10907	4.5
171.11723	11.3
172.12474	2.9
173.13254	24.2
175.14838	41.5
177.16371	4.0
181.10239	1.8
183.11702	7.9
185.13330	14.6
187.14828	40.2
189.16414	15.7
193.04962	4.5
195.11794	3.2
197.13310	4.9
199.14842	16.4
201.12750	3.2
201.16423	26.3
203.14268	2.2
203.18025	5.5
205.15965	1.8
209.13272	4.5
211.14897	3.1
213.16356	8.7
215.17976	10.8
221.15286	2.0
223.14836	2.3
225.16393	4.3
227.18039	4.8
237.16425	3.5
239.17903	3.7
241.19531	3.2
245.15445	3.7
247.16940	2.6
251.18042	1.9
253.19582	4.2
256.26474	2.9
259.16949	2.7
283.20667	1.9
319.24353	1.8
323.48505	1.8
333.22217	1.9
347.23611	1.9
349.25452	2.9
375.30542	16.8
375.66016	1.7
377.32227	2.7
403.29782	6.0
421.31061	100.0
422.29529	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	421.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.7
57.07072	5.7
61.74670	1.7
67.05514	9.3
69.07060	6.5
69.91771	8.0
70.06584	4.5
79.05489	9.8
81.07072	18.4
83.04960	2.2
83.08607	5.0
88.07636	4.4
91.05476	13.9
93.07042	17.6
95.05003	2.2
95.08623	23.1
99.08091	6.5
102.09158	4.3
105.07037	25.3
107.08598	33.9
109.10162	17.7
111.08065	2.1
117.07026	5.8
117.86463	1.7
119.08585	57.7
121.06548	1.9
121.10158	27.7
123.08128	2.0
123.11700	6.2
126.37885	1.8
127.07558	2.6
129.07005	2.6
131.08571	17.3
133.10139	34.3
135.08023	3.6
135.11685	17.6
137.13278	2.8
142.07835	3.2
143.08601	10.8
145.10120	31.1
147.11679	15.0
149.02365	22.0
149.13252	6.6
155.08557	4.5
156.09390	2.9
157.10149	13.3
159.11700	25.5
161.13283	20.7
163.07497	3.4
163.11081	2.1
163.14848	5.3
169.10176	5.2
170.10818	2.5
171.11703	13.3
172.12468	3.1
173.13283	21.5
175.14851	36.4
177.16393	5.3
181.10223	2.7
183.11728	7.0
185.13300	17.0
187.11183	1.9
187.14813	28.8
189.16370	13.2
193.04959	27.8
195.11800	3.7
197.13306	5.8
199.14842	14.0
201.12766	3.4
201.16394	23.2
203.14430	2.4
203.17938	4.3
209.13309	3.9
211.14824	4.9
213.16399	8.5
214.17043	1.8
215.14421	3.4
215.17986	6.4
217.15697	1.9
220.12720	1.9
221.13266	3.5
223.14821	3.8
225.16412	3.7
227.18048	3.1
229.19675	2.1
231.13760	2.4
237.16438	2.7
239.17998	4.0
241.19533	4.4
245.15405	3.8
247.14775	2.1
247.16948	2.6
251.18085	4.2
253.19577	4.0
255.21164	2.6
256.26324	13.2
263.18124	2.5
267.21301	3.1
269.22516	2.9
313.21701	2.2
349.25363	3.5
351.23315	2.6
365.24887	2.4
375.30685	9.3
403.25238	1.9
403.29730	9.4
421.31055	100.0
422.28931	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1722
Annotation	3-Epiphlomurin
Peak:m/z	Relative Intensity
68.34002	0.7
69.03428	1.0
70.06602	0.7
71.05000	0.7
71.48537	0.9
79.05495	1.8
81.07043	1.1
83.08566	0.7
85.02869	0.7
91.05485	1.8
95.04946	0.7
103.05434	1.2
105.07031	0.8
107.04945	0.8
119.04942	2.1
121.92306	0.7
122.03599	0.6
123.04400	1.6
130.06529	0.8
131.04970	1.1
131.08562	0.9
133.06482	0.9
137.02309	0.9
137.05989	6.1
147.04427	8.1
147.08067	0.9
149.06049	0.9
151.03868	1.3
151.07536	1.4
161.05959	1.9
161.07155	0.8
162.06717	0.7
163.07593	1.3
167.07048	1.2
171.07950	2.3
172.05113	1.8
172.08722	5.7
173.09470	1.5
175.07484	4.2
177.05444	0.8
179.06963	1.0
186.10309	1.3
187.07413	9.7
188.08051	1.1
189.09138	0.8
193.08615	3.6
198.06760	1.1
199.07445	8.8
200.08165	2.3
214.09741	0.6
215.07001	0.8
216.07701	5.0
216.10063	5.1
229.07146	0.7
243.08784	53.7
244.09561	100.0
245.09921	3.0
257.10367	2.0
353.62018	0.7
362.13464	2.0
378.15356	40.7
379.16110	43.9
380.16623	0.7
421.11523	0.8
421.17148	8.8
421.22748	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77144	3.6
57.03436	23.5
57.20517	3.7
60.09354	3.9
69.03437	65.7
70.40067	9.2
70.40433	8.4
78.90676	4.0
81.03422	4.5
85.02911	51.9
87.04470	42.9
89.03696	4.4
91.05489	100.0
97.02901	71.3
107.05025	9.5
109.02840	4.3
115.03940	78.8
119.04939	7.5
123.34274	3.9
127.03948	6.0
133.04980	82.1
133.06535	7.4
136.47694	4.5
137.06009	5.6
145.04999	9.5
150.07603	11.6
223.09790	6.5
277.09238	5.5
428.51590	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	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50850	1.0
59.81725	1.2
67.05520	2.4
69.03432	2.7
69.07060	3.2
69.42001	9.9
79.05501	6.1
81.03394	1.6
81.07066	100.0
82.07378	1.3
85.02898	5.2
87.00826	3.5
95.08607	13.4
96.44901	1.2
97.02933	3.1
98.20717	2.0
105.01881	5.3
127.03938	6.0
137.13268	21.2
145.04967	6.2
152.42697	1.4
237.17332	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20543	0.4
51.70035	0.3
53.03946	1.4
55.01880	0.4
55.05518	0.7
57.07088	1.9
61.02943	0.4
61.34020	0.3
64.18869	0.4
65.03948	0.6
67.05509	3.3
69.03433	2.9
69.07076	3.5
69.62181	0.4
71.49344	0.4
73.02922	0.4
79.05498	8.4
81.03429	2.0
81.07063	100.0
82.07411	0.5
85.02914	6.9
87.00839	2.9
87.95110	0.3
91.05509	0.4
93.07056	0.8
95.05012	0.4
95.08614	16.2
97.02898	5.4
97.03470	0.6
99.04475	1.3
105.01877	6.7
105.07051	0.7
108.04441	0.4
109.02876	2.5
109.10172	1.2
126.05358	0.4
127.03939	7.6
137.13266	20.7
145.04982	5.4
147.11838	0.4
159.02925	1.3
167.07103	0.9
168.07381	1.5
169.07501	1.0
170.07785	0.4
182.05489	0.5
210.51501	0.4
231.05040	2.1
249.06113	1.2
259.10062	0.3
284.09918	0.5
402.73267	0.4
420.16614	0.6
420.29773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23203	1.1
67.05510	2.0
69.03425	3.8
69.07056	2.2
69.70383	7.2
79.05502	5.4
81.03436	3.1
81.07059	100.0
82.07397	1.7
85.02915	8.1
87.00829	3.6
93.07039	2.4
95.08621	9.6
97.02884	4.1
105.01858	10.6
105.07057	1.6
107.08597	1.9
109.02920	2.7
109.10195	1.5
119.08605	1.7
120.65071	1.1
127.03925	6.5
128.75316	1.1
131.08588	1.6
137.13260	32.9
138.65256	1.1
145.04979	6.0
159.02919	1.8
163.03966	2.2
163.07576	2.3
166.58223	1.2
167.07066	1.9
189.96385	1.1
215.07202	1.4
231.05008	5.4
249.06133	2.7
257.62405	1.2
259.09738	2.2
284.09866	2.3
402.27487	1.5
420.16409	1.6
420.29742	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
51.88702	0.8
53.03941	3.3
56.96550	1.1
57.03432	1.8
58.56464	0.8
61.02928	0.8
62.33705	0.7
69.03436	11.5
71.48666	1.0
72.08923	0.9
78.03460	11.2
80.05017	2.3
81.03419	16.6
84.04514	1.1
85.02906	7.6
85.95512	0.9
87.04472	0.8
88.11277	1.1
96.04499	2.6
97.02888	4.3
99.04449	2.6
106.02921	44.9
109.02898	9.6
117.05450	1.5
123.04408	1.0
124.03963	100.0
125.04274	0.9
127.03899	5.6
147.04433	1.7
153.01805	3.5
161.05986	1.0
163.03918	2.4
166.05028	1.4
170.06375	1.4
232.05974	3.0
250.07121	16.2
257.00833	1.8
268.08179	57.2
269.20840	1.0
273.09055	2.0
275.02051	0.9
277.03448	1.0
303.01331	7.7
403.01416	1.4
420.15454	6.5
420.20273	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	21.6
55.05504	14.7
57.62457	8.5
62.35231	8.2
67.05508	17.6
69.03402	10.0
69.07061	17.9
71.49401	16.3
79.05489	31.1
81.03403	15.2
81.07063	46.2
85.02897	12.5
91.05469	30.1
93.07039	44.3
95.04984	14.6
95.08591	32.2
98.94212	8.9
103.05469	12.0
105.03409	46.8
105.07059	49.6
107.04979	15.2
107.08598	36.3
109.10152	26.9
117.07004	13.5
119.08597	60.7
121.02906	14.7
121.10114	14.6
123.04440	24.7
127.03926	10.3
131.08586	19.4
133.06432	15.7
133.10054	24.1
135.04329	10.2
135.11694	23.3
145.10097	18.2
147.08112	12.3
147.11674	23.3
149.05980	10.6
153.01848	85.9
161.05992	16.1
161.13312	15.9
167.07085	65.2
167.08382	14.1
168.07404	20.5
169.07645	11.4
173.13333	13.9
177.05496	38.3
179.44766	10.0
181.04979	55.8
183.11639	11.2
185.09738	12.8
185.13280	16.3
191.07173	10.6
199.14798	9.9
201.12788	13.3
203.17970	17.8
209.08093	55.3
221.18974	9.6
287.05457	73.5
305.10071	10.4
419.16364	23.2
419.24280	100.0
419.29437	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	419.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.07059	1.5
57.19869	0.5
59.90785	0.4
65.92045	0.4
69.07082	0.6
71.08617	0.9
82.61755	0.4
91.05476	0.5
99.04453	2.8
111.04462	3.5
112.80961	0.4
125.05997	10.0
141.05473	4.9
149.02359	1.0
153.05475	100.0
154.05849	0.5
167.07060	0.7
251.04758	1.0
279.19476	0.5
363.17032	0.8
419.35223	33.7
420.35626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2644
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01874	21.6
55.05504	14.7
57.62457	8.5
62.35231	8.2
67.05508	17.6
69.03402	10.0
69.07061	17.9
71.49401	16.3
79.05489	31.1
81.03403	15.2
81.07063	46.2
85.02897	12.5
91.05469	30.1
93.07039	44.3
95.04984	14.6
95.08591	32.2
98.94212	8.9
103.05469	12.0
105.03409	46.8
105.07059	49.6
107.04979	15.2
107.08598	36.3
109.10152	26.9
117.07004	13.5
119.08597	60.7
121.02906	14.7
121.10114	14.6
123.04440	24.7
127.03926	10.3
131.08586	19.4
133.06432	15.7
133.10054	24.1
135.04329	10.2
135.11694	23.3
145.10097	18.2
147.08112	12.3
147.11674	23.3
149.05980	10.6
153.01848	85.9
161.05992	16.1
161.13312	15.9
167.07085	65.2
167.08382	14.1
168.07404	20.5
169.07645	11.4
173.13333	13.9
177.05496	38.3
179.44766	10.0
181.04979	55.8
183.11639	11.2
185.09738	12.8
185.13280	16.3
191.07173	10.6
199.14798	9.9
201.12788	13.3
203.17970	17.8
209.08093	55.3
221.18974	9.6
287.05457	73.5
305.10071	10.4
419.16364	23.2
419.24280	100.0
419.29437	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	419.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	21.6
55.05504	14.7
57.62457	8.5
62.35231	8.2
67.05508	17.6
69.03402	10.0
69.07061	17.9
71.49401	16.3
79.05489	31.1
81.03403	15.2
81.07063	46.2
85.02897	12.5
91.05469	30.1
93.07039	44.3
95.04984	14.6
95.08591	32.2
98.94212	8.9
103.05469	12.0
105.03409	46.8
105.07059	49.6
107.04979	15.2
107.08598	36.3
109.10152	26.9
117.07004	13.5
119.08597	60.7
121.02906	14.7
121.10114	14.6
123.04440	24.7
127.03926	10.3
131.08586	19.4
133.06432	15.7
133.10054	24.1
135.04329	10.2
135.11694	23.3
145.10097	18.2
147.08112	12.3
147.11674	23.3
149.05980	10.6
153.01848	85.9
161.05992	16.1
161.13312	15.9
167.07085	65.2
167.08382	14.1
168.07404	20.5
169.07645	11.4
173.13333	13.9
177.05496	38.3
179.44766	10.0
181.04979	55.8
183.11639	11.2
185.09738	12.8
185.13280	16.3
191.07173	10.6
199.14798	9.9
201.12788	13.3
203.17970	17.8
209.08093	55.3
221.18974	9.6
287.05457	73.5
305.10071	10.4
419.16364	23.2
419.24280	100.0
419.29437	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	419.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	23.1
53.20711	17.3
53.32013	17.6
53.51818	17.6
55.01873	33.9
65.64530	20.4
67.05502	44.6
69.03439	28.5
69.07063	22.2
71.04996	34.5
71.08627	21.9
71.50324	22.9
79.05494	46.0
81.03423	32.5
81.07046	21.1
85.02900	86.6
87.00828	34.0
90.69146	18.6
91.05495	38.5
93.07053	64.1
95.08631	51.0
97.02886	57.6
97.06561	23.2
99.04466	20.9
105.01879	45.6
105.03401	46.6
105.07049	33.8
107.08636	100.0
109.02881	20.8
109.06518	21.3
119.08613	37.0
123.04428	30.3
125.96764	16.4
127.03930	44.8
131.08565	21.5
135.04396	22.7
135.11688	37.9
147.08043	23.1
153.01831	94.1
163.03908	56.5
167.07108	46.5
168.07419	19.5
169.07607	38.3
183.05409	24.1
196.05925	31.2
204.11935	18.2
208.05594	21.4
226.06845	31.4
230.06451	19.8
243.91995	19.3
250.06917	24.3
286.08997	32.7
287.05511	35.9
314.08530	53.9
359.10687	45.7
383.10852	27.1
401.11652	68.8
419.12918	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.0
53.61466	2.1
53.64705	2.2
54.42981	2.1
55.01857	3.4
57.03448	5.4
61.36814	2.6
69.03441	14.3
71.05006	3.1
71.08594	2.4
71.49305	3.6
73.02901	2.6
76.19519	2.2
79.05497	8.7
81.03450	13.0
81.07079	2.4
85.02919	20.6
86.09702	3.3
91.05480	5.2
95.04994	6.1
97.02899	5.9
97.06564	2.2
99.04466	3.9
101.92251	2.5
103.65713	2.6
105.03406	100.0
105.07106	3.4
106.78188	2.1
109.02896	8.2
111.48026	2.1
116.07092	3.3
121.02905	4.3
123.04440	20.2
127.03941	9.2
135.08014	2.5
137.02415	2.8
137.05998	6.3
147.04396	2.4
149.86006	2.2
151.04015	2.5
153.01921	3.0
153.12778	3.1
153.36272	2.4
179.07062	3.1
195.31050	2.5
223.09714	3.0
231.06625	3.2
249.07637	6.6
267.08658	18.0
287.05527	92.0
288.05807	3.6
300.10864	2.5
329.06540	3.3
375.16187	4.2
383.07825	5.7
401.08688	3.4
419.09830	4.8
419.15259	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	419.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14897	2.3
53.03952	12.2
53.35416	2.2
55.01883	12.7
57.03444	8.2
58.62385	2.0
60.69093	2.5
61.02920	10.4
65.03948	4.9
66.71286	2.5
68.99796	10.6
69.03100	2.7
69.03442	40.8
69.31989	3.8
69.32395	16.1
71.04980	7.0
73.02940	11.1
74.07847	2.3
79.05500	4.3
81.03430	44.2
85.02917	100.0
87.00835	40.7
91.03916	2.5
93.03441	3.0
95.04963	4.6
97.02905	37.5
99.04463	19.5
103.03935	7.9
105.01881	26.8
107.04968	28.4
109.02894	35.8
111.04456	22.0
114.97659	2.7
117.01875	4.2
121.04049	2.5
121.06543	2.4
125.06007	4.7
127.03936	63.1
129.01852	8.6
135.04437	9.1
139.02850	2.4
139.03906	47.2
145.04984	22.2
147.02885	7.4
147.04428	4.1
149.02377	3.5
153.05382	2.7
159.02904	28.0
163.03934	38.6
165.67036	2.2
171.02995	3.6
171.06554	56.3
177.05513	5.7
181.05029	15.3
181.06340	2.5
186.06656	2.5
189.03961	5.0
195.06561	39.2
205.04973	6.2
207.06563	10.0
213.07588	20.1
219.06544	3.8
222.05301	3.1
231.05075	8.4
233.08095	4.4
237.07590	22.9
247.06125	2.9
261.07660	18.2
279.08578	22.3
287.05594	5.1
330.20062	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.5
53.63543	2.2
55.01870	14.7
57.03438	8.7
61.02925	9.2
65.03946	5.5
68.99790	8.3
69.03434	33.8
70.89101	5.7
71.04995	5.9
73.02900	12.0
79.05494	4.4
81.03416	42.3
83.04987	2.9
85.02906	100.0
87.00835	41.1
87.04481	3.3
91.03954	3.2
91.05440	3.1
93.03416	3.2
97.02895	37.4
99.04464	17.4
103.03933	7.2
103.05476	2.9
105.01857	21.7
107.04948	23.5
109.02886	33.3
111.04436	20.0
115.03908	2.9
117.01872	4.7
119.04959	2.7
123.04433	3.1
124.95987	2.6
125.05971	3.4
127.03921	60.6
127.04828	4.2
129.01843	8.4
135.04437	7.1
139.03900	51.9
145.04962	23.0
147.02867	7.3
147.04398	2.6
149.02399	4.3
153.05513	3.6
159.02907	23.4
163.03906	25.3
171.06526	57.2
177.05508	6.7
181.04961	13.2
189.03923	7.7
195.06569	33.8
205.04971	5.2
207.02917	2.8
207.06528	7.7
213.07565	21.4
215.03546	2.3
216.75070	2.6
222.05127	3.2
226.33359	2.8
231.05061	9.0
233.08095	6.3
237.07565	20.9
261.07535	20.5
279.08600	21.7
287.05542	8.6
329.93402	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
50.93321	0.3
51.02382	1.3
53.03950	2.4
55.01870	0.6
57.02042	0.2
69.03436	1.9
69.07095	0.3
70.82939	0.5
70.83312	0.5
77.03919	0.6
79.01855	5.3
79.05483	0.5
81.03425	1.8
81.07072	0.4
84.08200	0.3
91.05477	0.4
95.04980	2.1
95.08591	0.4
97.02899	1.3
102.47374	0.3
105.03395	39.6
105.04533	1.7
105.07061	0.5
106.03732	0.5
107.01330	1.2
107.08572	0.4
109.02878	1.8
117.07004	0.3
119.08625	0.3
121.10200	0.3
123.00838	0.4
123.04436	0.4
125.02347	3.4
127.03932	2.1
133.10193	0.5
140.14702	0.3
141.19443	0.3
143.03391	5.4
147.04356	0.4
151.03813	0.3
153.01836	100.0
153.02902	6.1
154.02171	1.0
159.04538	0.3
163.03899	0.8
165.05467	0.7
167.07031	1.4
168.07344	0.8
169.07518	0.8
181.04878	0.4
185.13214	0.3
191.03439	1.4
209.04558	0.6
219.02736	0.3
231.06520	1.3
233.04541	0.4
237.03940	4.9
249.07607	0.7
261.03888	0.6
279.05026	0.5
287.05634	1.7
401.08896	1.3
419.09714	0.6
419.15781	0.9
419.24420	0.4
419.29523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.2
56.19434	2.1
65.03944	2.4
66.04276	1.8
69.03432	2.1
69.48126	3.6
69.48536	9.6
70.06563	2.4
78.04706	2.6
79.05479	5.3
81.03413	4.3
85.02905	4.8
89.03922	5.3
91.04462	2.1
91.05482	3.8
91.07567	2.6
97.02901	3.3
97.71612	2.4
98.20720	3.3
105.03391	11.7
107.04961	6.0
108.05286	1.9
110.06039	4.2
117.03381	22.4
117.07030	4.9
119.04972	2.5
123.04443	4.5
127.03891	2.3
134.03641	2.2
137.02452	1.8
145.02847	42.3
145.06476	2.9
146.06776	2.3
147.04419	5.3
149.02385	3.9
149.05937	9.8
167.07040	45.1
168.07379	27.8
173.05977	4.2
174.06337	5.3
175.07600	1.9
177.05484	100.0
180.20709	2.0
181.04965	14.8
182.05348	10.5
196.06903	2.0
201.52277	1.9
234.08513	3.3
249.07478	2.4
266.62329	2.0
267.08560	4.5
339.51624	1.9
388.14691	6.9
418.15646	13.1
433.89166	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30849	1.4
56.96561	3.1
60.01081	1.3
69.03427	1.8
71.48719	1.7
85.02911	6.6
86.09731	1.7
88.11263	3.3
97.02902	3.1
98.61195	1.5
98.97565	5.6
103.05497	10.2
107.04978	2.0
110.97586	2.4
116.98610	1.9
120.08111	100.0
130.50841	1.4
131.04941	2.1
137.05916	1.6
142.68932	1.3
147.04486	1.9
149.05968	2.3
150.05527	7.5
151.05836	3.7
153.01839	2.7
158.99646	2.0
163.03899	3.1
166.08655	51.0
199.21269	1.7
219.01784	2.4
237.02921	2.3
358.07968	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0974
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
56.53009	0.8
57.03442	5.7
61.02923	2.0
66.64739	0.9
68.99788	1.6
70.51329	1.9
70.51695	1.7
73.02925	12.0
88.23410	0.9
96.77788	0.9
98.70533	0.9
107.04929	0.9
115.03951	1.7
121.02893	3.2
138.32167	0.9
153.01820	5.7
157.06494	1.3
165.01877	1.4
185.06003	1.3
213.05559	1.6
231.06534	1.2
246.72461	0.9
258.05234	1.6
280.60556	0.8
287.05527	100.0
288.05905	1.2
398.46820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
55.05523	2.3
65.03939	2.2
67.05515	3.4
67.39358	1.1
69.03413	1.2
69.07069	3.4
71.48868	1.4
71.49245	1.6
78.04724	3.0
79.05502	5.4
81.03413	2.7
81.07060	3.7
82.04215	1.4
84.08138	12.0
85.02905	2.2
91.05486	5.5
93.07058	3.6
95.04961	3.1
95.08610	3.9
97.06532	3.4
97.10212	1.5
103.05480	4.9
105.03411	1.2
105.07037	4.6
106.04214	1.9
107.04945	6.7
107.08596	2.3
109.02887	4.9
109.06557	1.3
109.10173	2.9
115.05469	5.5
117.07034	7.8
119.04929	2.1
119.08587	2.3
120.75936	1.3
121.02952	1.6
121.10153	2.1
123.04446	9.3
124.05231	2.2
125.05943	2.2
125.09626	2.2
127.03914	1.2
130.08650	1.7
131.04982	3.4
131.08620	1.7
133.10141	3.9
137.06029	2.6
142.02701	1.7
145.06516	8.8
145.10139	2.6
147.04427	1.8
147.11745	1.5
148.05167	1.6
151.03943	2.7
152.04684	3.0
155.06082	3.6
159.02652	2.4
159.08055	1.7
159.11713	1.9
163.03949	2.0
163.07634	2.7
167.07051	100.0
168.07372	2.2
169.52788	1.1
173.05992	16.4
173.13261	1.4
177.05560	1.6
181.04974	37.9
191.07036	11.3
201.05405	1.8
201.16412	1.5
205.08611	4.5
207.06529	1.9
209.08069	1.4
217.08682	1.9
233.08064	8.1
235.09697	3.3
237.18687	1.4
245.08075	1.3
387.14429	15.0
399.32324	4.0
417.15439	30.6
417.21027	8.4
417.26828	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	417.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
55.05523	2.3
65.03939	2.2
67.05515	3.4
67.39358	1.1
69.03413	1.2
69.07069	3.4
71.48868	1.4
71.49245	1.6
78.04724	3.0
79.05502	5.4
81.03413	2.7
81.07060	3.7
82.04215	1.4
84.08138	12.0
85.02905	2.2
91.05486	5.5
93.07058	3.6
95.04961	3.1
95.08610	3.9
97.06532	3.4
97.10212	1.5
103.05480	4.9
105.03411	1.2
105.07037	4.6
106.04214	1.9
107.04945	6.7
107.08596	2.3
109.02887	4.9
109.06557	1.3
109.10173	2.9
115.05469	5.5
117.07034	7.8
119.04929	2.1
119.08587	2.3
120.75936	1.3
121.02952	1.6
121.10153	2.1
123.04446	9.3
124.05231	2.2
125.05943	2.2
125.09626	2.2
127.03914	1.2
130.08650	1.7
131.04982	3.4
131.08620	1.7
133.10141	3.9
137.06029	2.6
142.02701	1.7
145.06516	8.8
145.10139	2.6
147.04427	1.8
147.11745	1.5
148.05167	1.6
151.03943	2.7
152.04684	3.0
155.06082	3.6
159.02652	2.4
159.08055	1.7
159.11713	1.9
163.03949	2.0
163.07634	2.7
167.07051	100.0
168.07372	2.2
169.52788	1.1
173.05992	16.4
173.13261	1.4
177.05560	1.6
181.04974	37.9
191.07036	11.3
201.05405	1.8
201.16412	1.5
205.08611	4.5
207.06529	1.9
209.08069	1.4
217.08682	1.9
233.08064	8.1
235.09697	3.3
237.18687	1.4
245.08075	1.3
387.14429	15.0
399.32324	4.0
417.15439	30.6
417.21027	8.4
417.26828	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	417.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01876	1.0
65.03948	3.0
67.05487	1.3
69.03416	0.7
69.38622	1.2
69.39020	2.2
77.03931	0.4
78.04704	3.3
79.05495	2.8
81.03422	0.8
81.07040	1.0
82.04198	0.8
85.02888	1.6
91.05468	2.0
93.03400	1.1
95.04979	1.1
96.05730	0.8
97.06526	0.7
103.05464	8.0
105.03329	0.5
105.04532	0.6
105.07021	1.0
106.04195	2.5
107.04967	4.6
107.08581	0.5
109.02866	0.5
109.06562	0.6
110.03658	1.5
115.05447	3.7
117.07024	5.1
118.04166	2.0
119.04949	0.6
120.05741	0.5
123.04433	7.0
124.05232	2.7
125.05985	1.8
127.05444	0.7
128.06328	0.5
130.04141	0.5
131.04935	7.4
132.05678	0.5
133.02867	0.7
133.06462	1.2
134.03577	0.6
137.05956	1.3
138.03154	0.5
142.02608	1.1
143.04861	0.5
143.17050	0.4
143.77577	0.5
144.05734	0.9
145.06493	9.4
147.07979	0.5
148.05170	4.2
151.03873	1.4
152.04674	2.4
153.05455	1.8
155.06050	3.6
156.05736	0.6
161.06061	0.9
163.07526	5.9
167.07047	100.0
168.07338	1.0
171.06564	1.3
173.06000	15.5
175.07558	1.0
176.04607	0.7
181.04962	43.1
191.07039	24.5
192.07492	0.6
193.08600	0.6
195.06558	1.0
201.05452	0.9
205.08629	3.3
207.10146	0.5
209.08133	0.8
217.08664	0.6
219.10233	0.8
221.08109	0.6
233.08099	7.4
235.09607	4.0
263.09189	0.6
265.08713	0.5
267.10107	0.5
325.06784	0.5
325.10782	0.7
367.12030	0.7
385.12927	1.0
387.14435	12.9
399.14572	0.5
417.15451	28.0
418.16107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.23747	0.4
53.03944	0.8
55.01868	0.9
59.56293	0.5
65.03952	2.9
67.05499	1.4
70.78801	1.4
77.03919	0.7
78.04716	3.1
79.05515	2.8
81.03400	0.7
82.04192	0.8
85.02901	1.8
88.95434	0.5
91.05465	1.7
92.94950	0.5
93.03363	0.7
93.27206	0.5
95.04958	1.4
97.06516	1.1
103.05476	5.5
105.03368	0.6
105.07022	1.1
106.04166	1.8
107.04955	5.3
110.03652	1.2
115.05445	3.9
117.07024	5.4
118.04175	0.8
119.08644	0.6
123.04446	7.1
124.05236	2.6
125.05968	0.7
127.05444	1.1
131.04935	2.6
133.06450	0.8
134.03653	1.1
137.05981	0.8
138.03113	0.8
145.06494	7.1
148.05188	2.1
151.03915	1.5
152.04710	2.9
153.05493	1.5
155.06042	3.6
163.07529	3.1
165.05350	0.5
167.07047	100.0
168.07388	1.3
171.06557	1.0
173.06003	14.9
174.06285	0.5
175.07532	0.8
181.04967	36.2
189.05394	0.5
191.07042	11.8
191.08807	0.6
195.06589	0.8
199.89638	0.5
205.08609	3.3
217.08658	1.1
233.08078	7.9
235.09668	3.8
263.09369	0.7
329.10291	1.7
381.13519	1.4
387.14398	12.6
399.14355	1.3
406.89285	0.5
417.15488	27.2
418.15802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01872	0.8
57.72510	0.5
65.03938	3.5
67.05495	1.6
69.03417	1.2
69.57008	3.3
77.03902	0.8
78.04720	3.3
79.05504	3.1
81.03397	0.6
82.04198	1.5
85.02891	1.9
91.05502	2.5
93.03369	1.0
95.04971	1.2
97.06522	1.1
102.04675	0.6
103.04810	0.7
103.05472	10.9
105.03394	1.5
105.04492	0.5
105.07036	1.5
106.04166	2.5
107.04961	4.8
108.02081	0.9
110.03642	2.2
115.05467	4.4
117.07018	6.1
117.64837	0.5
118.04189	2.2
119.04931	1.1
119.08582	1.0
122.03658	0.8
123.04443	7.3
124.05251	2.6
125.05985	1.4
127.05416	0.7
130.04120	0.8
131.04037	0.8
131.04936	9.0
132.05714	1.3
133.02850	0.7
133.06480	1.8
134.03604	1.0
134.33934	0.5
135.08026	0.8
137.05960	1.6
138.03119	1.7
142.02594	1.2
143.04916	1.1
144.05640	0.6
145.05414	0.8
145.06497	9.4
146.03610	0.8
147.04359	0.6
147.08022	0.7
148.05203	6.5
151.03888	1.5
152.04675	1.7
153.05493	2.4
155.06073	4.7
158.42302	0.4
159.08058	0.6
161.05978	1.1
163.07565	9.2
165.05412	0.6
166.02650	0.6
167.07047	100.0
168.07394	1.4
171.06528	1.8
173.05995	16.4
175.07515	0.8
176.04697	1.1
177.05421	0.5
179.06995	0.5
181.04962	52.6
187.07523	1.3
191.07040	34.1
195.06509	1.3
201.05464	0.8
205.08595	3.7
207.06383	0.7
207.10139	0.9
209.08115	0.9
213.05652	0.7
213.28246	0.5
217.08553	0.6
219.10147	1.0
221.08008	0.6
233.08067	9.1
235.07561	0.7
235.09663	5.3
263.09210	1.8
267.10110	0.6
323.08896	0.7
325.10825	0.7
355.11679	0.6
357.13278	0.7
367.11914	1.1
381.13428	1.0
385.12808	1.5
387.14386	13.2
399.14456	1.1
417.15463	30.2
418.15869	0.6
425.28043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
65.03954	3.1
65.69198	0.5
67.05505	0.8
69.57982	3.6
78.04706	3.0
79.05490	2.3
82.04189	0.9
85.02885	2.0
91.05466	1.4
92.51455	0.5
93.03391	0.9
95.04967	1.1
97.02888	0.7
97.06534	0.7
98.21473	0.7
103.05457	5.3
105.07034	0.8
106.04188	2.3
107.04951	4.0
110.03660	1.8
111.08154	0.5
111.67455	0.7
115.05424	3.0
117.07018	5.6
118.04172	1.1
119.04933	0.8
123.04428	6.7
124.05222	3.3
125.06009	0.8
127.05435	1.1
131.04941	4.9
133.06453	1.4
137.05916	0.8
138.03130	0.9
142.02690	0.7
145.06485	7.2
146.03680	0.6
147.08061	1.0
148.05231	2.7
149.05954	0.7
149.75610	0.6
151.03915	1.0
152.04688	2.3
153.05505	1.4
155.06042	4.2
157.06448	0.8
161.05988	0.7
163.07542	4.7
167.07048	100.0
168.07376	1.1
171.06544	2.0
173.06001	15.0
175.07544	0.6
181.04962	45.1
182.05367	0.7
191.07043	15.3
193.08711	0.7
195.06572	1.3
201.05482	0.6
205.08681	4.0
207.10272	0.8
217.08693	1.3
219.10123	0.8
225.07526	0.7
233.08060	8.7
235.09622	4.3
245.08099	1.0
323.09143	0.7
329.10199	1.7
349.10507	0.6
381.13074	1.0
385.12964	1.0
387.14389	12.6
391.03748	0.6
399.13968	0.9
417.15433	26.6
418.15836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03942	1.2
53.49080	0.5
55.01876	0.9
57.02787	0.5
64.35719	0.4
65.03944	3.7
67.05502	1.1
69.03426	1.1
69.62259	2.3
69.62671	1.3
76.67690	0.6
78.04710	2.9
78.34502	0.5
79.05511	3.3
81.03419	1.0
81.07041	0.8
81.48275	0.5
82.04185	1.4
85.02902	1.5
91.05473	2.1
93.03395	1.6
95.04948	1.4
96.05724	0.7
97.06550	1.1
98.20816	0.8
99.10187	0.5
103.05470	7.4
105.03421	0.7
105.04521	0.5
105.07027	1.4
106.04153	1.8
106.75748	0.6
107.04951	4.8
108.02064	0.7
110.03648	1.9
115.05482	3.9
117.07028	6.1
118.04162	1.8
119.04923	0.8
120.02069	0.7
121.06502	0.6
122.03651	0.5
123.04438	7.0
124.05212	2.5
125.06013	1.3
127.05468	0.9
127.43902	0.5
130.04126	0.6
131.04919	6.1
132.05603	0.5
133.02747	1.0
133.06493	0.7
135.04417	0.6
137.05984	0.8
138.03116	0.8
142.02576	1.1
145.06488	8.5
145.07607	0.4
148.05202	4.6
149.05997	0.5
151.03908	1.6
152.04691	2.1
153.05458	1.6
155.06055	3.8
159.04347	0.6
161.06006	0.9
163.07555	6.1
167.07050	100.0
168.07449	0.9
171.06555	1.5
173.05997	13.7
175.07466	1.0
176.04688	0.9
177.05559	0.6
181.04967	48.2
182.05373	0.6
191.07042	19.4
195.06496	1.1
201.05472	0.9
202.06299	0.6
205.08633	3.3
217.08731	0.8
219.10179	0.8
233.08084	8.7
235.09686	5.0
263.09161	0.9
295.09784	0.6
329.10254	1.7
381.13159	0.7
387.14450	13.5
399.14099	0.9
417.15451	23.9
418.15784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
54.36466	0.3
65.03949	1.7
67.05489	0.9
69.03413	0.4
69.71350	1.9
78.04721	3.1
79.05496	1.7
80.61132	0.4
81.03394	0.4
81.07061	0.4
82.04182	0.8
83.08287	0.3
85.02878	1.0
91.05457	1.2
93.03437	0.5
95.04946	0.9
97.06502	0.6
103.05453	1.5
103.71368	0.4
105.07028	0.5
105.44557	0.3
106.04164	1.8
107.04951	1.8
110.03642	1.1
114.79226	0.3
115.05459	4.0
117.07018	5.6
121.02893	0.5
122.03705	0.4
123.04430	7.8
124.05225	2.2
125.06014	0.7
127.05413	1.4
131.04926	0.7
134.03644	0.6
134.68648	0.4
137.05896	0.6
142.02638	0.5
143.04883	0.4
145.05408	0.7
145.06491	7.1
147.04454	0.5
147.08072	0.8
151.03938	1.5
152.04729	1.6
153.01883	0.5
153.05441	1.4
155.04878	0.6
155.06036	3.7
161.06030	0.4
167.07040	100.0
168.07404	1.5
171.06526	0.7
173.05986	14.9
175.07480	0.6
179.07088	0.3
181.04958	20.3
191.07079	1.1
201.05458	0.6
205.08582	3.2
219.02980	0.6
233.08073	8.1
235.09636	3.0
375.08881	0.5
387.14392	13.3
399.14447	0.4
417.15445	25.5
418.15668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1547
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03930	0.4
55.01880	0.5
62.04074	0.4
65.03925	1.5
67.05505	0.6
69.03426	0.5
70.78785	1.0
72.75873	0.5
78.04721	3.0
79.05494	1.3
79.58997	0.3
80.16174	0.4
82.04184	0.6
85.02887	0.8
91.05475	1.3
93.03419	0.4
93.07000	0.5
95.04940	0.8
97.06536	0.6
103.05471	1.4
105.07044	0.5
106.04175	2.4
107.04962	1.5
110.03663	0.8
115.05450	3.1
117.07015	4.9
121.02903	0.8
122.03667	0.6
123.04438	7.2
124.05237	2.1
125.06025	0.8
131.04918	0.7
131.11584	0.5
134.03618	0.5
137.05969	0.4
145.06488	8.3
147.08070	0.6
151.03897	1.3
152.04657	2.2
153.01848	0.7
153.05403	0.6
155.04980	0.6
155.06061	3.7
167.07047	100.0
168.07376	1.1
169.06284	0.4
171.06541	0.6
173.06003	16.0
181.04953	22.0
182.47179	0.4
201.05481	0.8
205.08595	3.6
206.77792	0.4
211.11263	0.4
233.08086	7.4
235.09599	3.1
266.59872	0.5
299.08334	0.4
369.13239	0.4
387.14374	12.9
417.15454	27.6
418.15732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33898	0.3
56.96590	0.5
59.67680	0.3
61.95603	0.3
67.05498	1.3
70.26752	1.2
79.05528	0.3
85.02897	0.4
88.11283	1.7
94.06580	6.3
97.02927	0.3
98.97596	0.8
103.06398	0.3
106.06550	2.1
110.97581	0.4
116.22157	0.3
122.06039	4.8
127.03860	0.4
150.05511	100.0
151.05902	0.8
163.03951	0.6
168.06573	34.4
170.99643	0.3
189.71350	0.3
219.01590	0.4
317.74448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42749	2.2
55.05509	10.9
57.03444	8.5
57.07071	2.9
67.05511	21.3
69.03416	2.7
69.07061	8.3
71.04971	5.5
72.53034	2.3
78.93390	2.5
79.05510	14.2
81.07068	33.0
83.04956	4.3
83.08621	7.3
85.06548	7.4
91.05485	12.3
93.07056	26.8
95.08607	28.8
97.06519	6.5
97.10171	8.0
98.50291	2.9
99.08131	3.4
101.63509	2.5
105.07028	15.0
107.08614	17.9
109.06526	5.9
109.10147	16.1
111.08085	4.1
117.07050	4.5
119.08588	24.0
120.08929	8.4
121.10173	19.1
123.08044	3.4
123.11702	4.4
125.09576	5.8
126.09103	2.6
131.08563	9.2
133.10133	16.6
135.08063	5.6
135.11717	15.0
137.13196	2.7
139.11157	2.7
145.10147	9.7
147.11693	9.1
149.09637	3.0
149.13318	6.6
157.10135	3.6
159.11716	9.6
161.13271	6.6
161.14543	2.7
165.12798	2.7
167.07028	2.8
167.14264	3.3
173.13254	5.8
175.14799	3.1
180.48528	2.2
181.05009	2.9
184.07372	4.5
197.13303	3.5
199.14870	2.7
213.16368	5.4
231.17387	3.7
245.19000	3.0
247.20609	8.8
265.21454	5.5
285.22156	9.0
293.24747	4.0
303.23206	66.3
321.24265	100.0
339.25311	74.0
381.26569	8.4
416.32538	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	415.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39456	0.9
53.03942	1.3
55.05512	3.3
56.46766	1.0
60.72213	0.9
65.03938	1.4
67.05515	4.9
69.07073	4.8
70.06576	2.2
70.50668	1.9
70.51076	2.3
79.05502	6.1
81.07059	12.8
82.31556	1.0
83.04982	1.7
83.08585	1.7
86.09678	0.9
87.71627	1.0
91.05482	12.8
93.07045	21.3
95.04935	1.6
95.08622	8.3
99.08099	2.3
103.05421	1.5
105.07053	9.7
107.08614	17.0
109.06516	1.4
109.10151	10.7
111.08092	1.8
115.08658	1.7
116.09039	1.0
117.07014	3.2
119.08589	100.0
120.08876	1.2
121.06497	2.2
121.10152	14.4
123.08067	1.4
123.11675	2.4
125.09628	1.2
131.08585	5.3
133.06480	2.0
133.10126	9.4
135.08055	2.4
135.11685	5.1
137.09668	1.3
143.08519	3.2
144.09377	1.4
145.10120	9.6
147.11674	6.5
149.09621	1.2
149.13264	15.0
151.11275	1.3
157.10120	2.9
159.11693	10.5
161.13307	2.4
163.11195	2.4
163.14845	3.4
169.10095	1.4
171.11748	2.4
173.13206	3.5
175.14850	2.0
177.12761	49.1
177.16292	2.5
183.11723	2.0
184.07243	1.3
185.13231	3.5
187.14828	13.1
191.14270	2.7
197.13292	1.0
199.14874	1.3
201.12816	1.2
201.16368	2.1
205.15854	8.0
209.13145	1.1
213.16447	1.4
223.16891	8.7
225.16524	1.3
247.20493	1.5
249.05019	1.2
379.29849	2.4
397.30865	4.1
415.26633	1.5
415.32236	28.5
416.32190	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80538	5.7
55.01872	5.9
55.05497	13.1
57.07070	6.1
59.32037	3.4
67.05174	3.7
67.05498	23.9
68.38851	3.8
69.07055	14.3
69.55364	27.9
76.79596	4.1
79.05483	28.4
81.07058	47.2
83.08617	7.7
85.06529	4.1
87.27294	4.0
91.05488	27.0
93.06492	5.9
93.07043	75.7
95.08614	50.8
98.21532	9.7
105.07033	72.2
107.08600	86.7
109.10159	60.0
111.08109	31.0
114.07603	4.5
117.06995	11.4
118.16422	3.7
119.08582	82.0
121.10154	67.7
123.11726	11.2
125.09630	5.0
128.06267	4.6
129.07022	9.3
131.08563	41.9
133.10123	57.9
135.11700	61.3
139.11194	7.7
142.07823	5.1
143.08563	28.6
144.09311	5.1
145.10129	58.3
147.11682	74.5
149.09595	4.9
149.13258	17.4
151.11179	12.1
153.12782	10.3
156.09383	8.9
157.10104	32.6
159.11708	53.0
161.13280	28.5
163.14813	9.5
169.10135	11.8
171.11726	29.8
173.13255	24.3
175.14848	28.2
177.12677	11.9
177.16379	12.6
183.11743	11.2
185.13272	39.7
187.14832	54.4
189.16402	13.4
191.14326	6.6
193.15900	6.8
197.13216	7.8
199.14803	21.0
201.16389	16.9
203.14333	7.2
203.18044	6.7
205.15886	54.0
211.14746	6.4
212.15543	3.9
213.16306	8.8
215.14296	5.1
215.17953	6.3
219.17451	5.4
223.15007	4.6
223.16898	19.8
225.16312	7.2
227.17944	18.4
231.17567	5.6
237.16380	5.5
239.17931	8.5
241.19452	12.1
243.17416	5.6
245.19000	18.6
247.20647	6.3
259.20367	4.5
283.20532	17.0
301.21606	45.9
361.28842	7.4
379.29999	36.2
397.31067	42.7
415.32111	100.0
415.37415	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	415.321
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
55.01865	4.3
55.05502	6.2
57.07065	3.7
59.05014	1.7
61.25899	1.5
67.05523	11.6
69.07061	6.9
69.60665	10.7
70.37269	1.4
79.05495	11.4
81.07065	22.5
83.04997	2.7
83.08599	5.3
85.06557	12.0
91.05481	13.2
93.07048	28.2
95.08616	23.6
97.06553	1.7
97.10186	3.6
98.21424	2.2
99.08087	3.5
101.48660	1.6
105.07036	18.2
107.08598	32.7
109.06522	2.8
109.10160	22.0
111.08105	9.4
116.06291	2.1
117.07046	3.8
119.08593	34.1
121.06509	3.3
121.10159	30.3
123.11710	7.0
125.09619	7.3
129.06953	2.3
131.08586	15.2
133.06537	1.9
133.10147	23.9
135.08098	6.0
135.11702	19.5
137.09645	3.3
137.13281	3.3
143.08575	7.3
144.09338	2.2
145.10123	17.5
147.11702	19.8
148.16428	1.6
149.09630	6.0
149.13261	8.8
151.11185	4.6
153.12718	1.9
156.09412	2.0
157.10170	10.8
159.11702	20.6
161.09615	2.3
161.13274	12.0
163.11211	5.9
163.14839	3.1
165.12819	2.1
169.10182	3.9
170.10927	1.8
171.11694	8.6
172.12395	1.8
173.13284	10.8
175.11227	3.3
175.14838	8.1
177.12746	14.4
177.16418	4.5
179.14345	10.0
183.11766	5.3
185.13269	10.5
187.14838	14.5
189.16429	5.3
191.14307	21.5
195.11670	1.9
197.13242	4.7
199.14906	4.6
201.16386	7.0
203.14195	2.0
205.15936	11.4
211.14836	2.1
213.16429	4.0
215.14302	2.1
215.18079	2.3
219.17429	3.3
223.16946	5.1
225.16458	3.3
227.17986	5.7
231.17468	2.5
232.65274	2.0
241.19507	1.9
245.19089	4.3
253.19527	2.1
283.20572	3.8
285.61829	2.2
301.21667	7.4
355.26501	3.5
367.30209	2.2
379.30048	8.6
397.31171	16.0
415.32120	100.0
416.32382	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	415.3209
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
51.83156	2.3
53.03946	3.2
55.01870	7.0
55.05517	13.4
57.07067	3.1
59.24936	2.5
64.16428	2.9
67.05510	28.3
69.07088	14.4
69.36363	10.5
69.36785	9.0
71.04980	2.3
71.63477	2.6
79.05502	26.7
80.77168	2.4
81.07066	41.5
81.67603	2.6
83.05006	4.6
83.08639	6.9
85.06543	3.7
91.05474	24.8
93.07048	63.7
95.08619	40.6
97.06529	3.2
99.08094	5.6
105.07037	57.4
107.08602	68.4
109.06510	5.1
109.10165	54.8
111.08087	31.9
117.07042	8.6
119.08584	82.0
121.10151	54.7
123.08096	5.6
123.11734	12.7
125.09687	6.4
127.11189	8.1
128.06190	3.0
129.06993	6.2
131.08575	21.5
133.10144	56.8
135.08044	2.9
135.11699	50.2
137.09668	6.7
137.13251	5.0
139.11172	3.3
142.07784	5.9
143.08553	23.4
144.09358	3.5
145.10135	50.0
147.11702	61.1
149.09662	3.1
149.13260	17.5
151.11238	4.5
153.12773	8.3
155.08546	8.3
156.09380	7.9
157.10155	32.7
158.10930	3.3
159.11693	42.6
161.13275	24.3
163.11203	5.3
163.14859	9.0
165.12831	5.2
169.10193	7.8
170.10938	5.5
171.11694	28.9
172.12483	4.1
173.13292	21.7
175.11244	3.5
175.14832	29.5
177.12776	7.8
177.16443	11.3
179.14355	6.7
181.10255	2.6
183.11806	7.5
185.13280	31.5
187.14841	39.6
188.42433	2.3
189.16406	11.5
191.14365	10.9
193.15906	6.0
195.11925	2.5
195.13759	4.1
196.12477	3.1
197.13295	9.2
199.14752	19.3
201.16306	12.4
203.14413	3.6
205.15892	42.4
207.17505	3.9
211.14821	7.0
213.16420	8.8
215.14453	5.4
215.17972	6.7
217.15987	4.1
219.17503	6.3
223.14943	4.3
223.16975	17.4
225.16539	4.9
227.17920	21.1
229.19583	6.3
231.17505	5.5
233.15349	2.9
233.19102	3.6
237.16368	3.1
239.18021	3.6
241.19624	6.7
245.18948	16.1
253.19566	4.6
257.19058	2.8
259.20654	5.1
265.19675	4.9
267.21252	3.0
271.20392	2.9
275.20160	3.0
283.20587	14.1
297.22202	2.8
301.21646	47.8
319.24313	3.3
323.23651	5.3
337.25250	3.7
361.28622	4.1
379.29929	34.0
397.31021	35.8
409.71683	2.9
415.32117	100.0
416.32175	4.7
432.12094	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	415.3213
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
53.03939	2.7
55.01873	2.8
55.05513	9.6
57.07078	3.0
57.33422	1.6
65.03951	2.3
67.05505	13.1
69.07065	6.6
70.87975	3.0
71.08625	1.7
71.87619	2.0
76.24094	1.8
77.90366	1.4
79.05499	12.0
81.07060	21.9
83.04978	2.5
83.08624	4.7
85.06548	3.3
91.05475	16.7
93.07050	28.6
95.04990	2.1
95.08619	22.9
97.06519	2.9
99.08112	2.7
105.07038	26.8
105.34299	1.5
107.08598	31.8
109.06530	5.0
109.10162	23.7
109.10859	2.4
111.08077	5.6
117.07020	7.9
119.08591	71.3
121.06519	4.0
121.09325	3.1
121.10153	31.6
123.08071	3.5
123.11695	8.4
125.09661	3.0
128.06261	2.4
129.07024	2.7
131.08568	14.8
133.10146	25.1
135.08057	4.4
135.11702	22.9
137.09645	5.5
139.11134	2.1
142.07794	2.1
143.08575	7.5
144.09377	3.0
145.10139	21.8
147.08052	1.7
147.11697	20.1
147.35399	1.6
149.09642	6.4
149.13293	8.3
151.11229	3.8
151.14841	1.9
157.10149	9.4
158.10963	1.9
159.11702	21.9
161.09637	2.9
161.13278	13.7
163.11203	7.0
163.14865	6.3
165.12788	1.8
169.10164	3.1
171.11716	8.5
173.13229	11.9
175.11302	2.1
175.14835	8.6
177.12749	18.6
177.16434	3.3
179.14305	12.2
183.11714	3.2
185.13257	11.0
187.14818	12.0
189.16435	3.7
191.14297	26.5
195.13773	1.8
197.13322	3.0
199.14861	6.0
201.16393	8.6
203.14369	2.2
203.18011	2.5
205.15923	13.2
213.16252	2.2
215.17937	2.6
217.15814	1.9
219.17503	4.0
223.14932	3.3
223.16986	7.6
225.16467	2.4
227.17986	5.9
239.18117	1.9
245.19081	4.4
257.18915	1.7
259.20563	2.7
265.19394	1.5
271.20447	1.7
283.20383	2.3
301.21689	5.9
342.92157	1.9
379.29962	7.3
397.30872	11.5
415.32111	100.0
416.32358	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	415.321
Annotation	7-Nor-Ergosterolide
Peak:m/z	Relative Intensity
53.03946	1.7
55.05515	19.5
57.03429	1.0
57.07077	10.7
67.05505	20.7
68.57062	1.2
69.07072	23.6
70.70246	2.6
71.08629	4.4
79.05502	7.3
81.07063	44.7
82.38443	1.1
83.08623	18.5
85.06568	1.7
86.09683	1.1
91.05480	7.9
93.07047	17.0
95.05009	1.1
95.08615	77.8
97.06539	1.4
97.10181	18.7
99.04366	1.3
99.08125	2.5
105.07038	17.3
105.35880	1.2
107.08598	27.6
108.67366	1.0
109.06514	2.9
109.10166	60.0
110.10459	1.5
111.08077	1.7
111.11734	3.1
115.05521	1.1
117.07023	2.8
119.08593	55.7
121.06521	1.6
121.10147	18.3
123.08095	3.4
123.11717	28.4
125.06058	1.2
125.09655	1.7
125.44276	1.0
131.08572	8.1
133.10150	16.1
135.08078	2.8
135.11697	9.5
137.09659	1.5
137.13264	18.7
139.07552	2.3
143.08574	3.7
145.10150	11.5
147.08011	1.3
147.11696	12.2
149.09608	2.1
149.13272	6.8
151.07565	2.3
151.14833	29.4
153.09138	4.5
157.10185	4.7
159.11728	10.0
161.09630	2.7
161.13261	8.7
163.11246	2.6
163.14861	7.1
165.16406	9.2
169.10205	2.6
170.10925	1.2
171.11700	4.6
173.13324	8.7
175.14842	16.7
177.09106	1.2
177.12817	2.7
177.16399	6.7
179.17967	3.3
183.11671	2.1
184.07317	1.8
185.13312	4.6
187.14841	5.3
189.12794	1.6
189.16393	5.8
191.14299	9.9
191.18054	1.6
193.15930	2.1
195.11691	1.2
199.14819	10.3
201.16373	20.0
203.14279	8.0
203.17928	2.1
205.15894	8.2
207.17419	1.9
213.16360	5.7
215.17955	1.7
217.15903	12.2
219.17555	4.3
227.18167	1.4
231.17513	7.6
233.19005	1.2
235.16978	1.6
237.14917	4.3
245.15475	5.3
245.19107	1.4
247.16966	7.7
249.14851	12.9
251.16533	3.5
259.16910	2.0
261.18576	1.2
261.22226	1.7
263.16437	14.8
277.18030	7.1
299.23584	1.4
325.25241	1.2
327.23334	1.5
351.30524	4.3
359.25790	1.6
369.31567	11.6
379.29846	1.5
397.31125	9.3
415.32153	100.0
416.32690	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	25.8
58.99580	3.1
68.81975	2.9
69.03428	4.4
70.40550	10.8
74.83619	3.6
84.04503	10.5
84.96032	8.6
85.02908	11.5
86.09721	5.7
89.61470	3.2
92.62692	3.0
97.02911	5.6
97.96829	4.7
98.97588	100.0
101.07143	4.3
110.97581	38.9
112.99138	8.6
116.98633	34.8
117.90263	3.1
122.06069	5.5
123.04420	5.9
125.07108	10.3
127.03933	3.5
128.98605	26.1
131.00194	6.1
134.99599	5.1
137.06018	5.1
140.98570	5.2
143.00209	5.5
145.06424	3.4
146.99664	7.2
147.04416	9.0
150.05511	79.6
152.04608	3.8
153.01846	3.6
158.99677	12.7
161.01253	7.8
163.03859	9.7
168.06564	29.5
170.99690	5.6
173.01144	4.4
175.03947	13.5
179.02315	3.1
189.00671	5.3
192.98186	4.5
195.03482	3.2
196.34537	3.2
201.00690	6.6
201.05547	7.1
208.00400	4.0
210.99156	6.0
219.01762	65.4
223.02806	5.6
226.01576	6.6
227.06752	17.6
229.04904	5.4
235.02760	14.0
237.02829	80.6
241.03929	9.1
245.05132	3.6
245.09221	8.9
246.07626	9.6
253.03796	10.1
263.04379	5.5
263.10275	25.9
284.12473	4.6
337.05963	11.2
346.20364	3.2
355.03503	6.7
367.07138	19.1
373.04395	3.9
385.08234	5.7
415.09732	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57144	3.8
53.42892	4.0
56.68309	3.2
56.96565	17.3
57.03426	4.1
69.03414	4.8
69.99543	19.5
73.12032	3.6
73.34098	3.8
73.34523	3.9
82.43459	3.7
84.96014	8.4
85.02910	12.2
86.09704	5.3
97.02874	8.5
98.20833	4.3
98.97588	100.0
101.00897	5.7
103.36477	4.0
110.97549	16.6
116.98621	25.5
119.85278	3.9
127.03889	5.7
128.98595	15.5
129.39574	3.7
134.99683	4.3
136.06146	4.4
143.00209	5.3
146.99669	4.3
150.05545	6.6
152.05719	4.3
153.01849	19.3
158.99672	25.3
163.03914	8.3
170.99712	7.0
176.14650	4.1
177.00656	10.3
201.00613	7.7
219.01788	28.4
237.02812	29.9
241.03900	5.1
253.03944	9.0
269.03293	10.3
274.97485	5.2
277.03848	15.0
295.04861	13.9
315.11655	4.3
412.81161	4.2
415.09824	68.7
433.09836	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	415.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	9.9
58.99838	2.4
69.03423	9.5
70.98118	3.0
71.49050	2.4
73.02920	2.4
81.03433	4.8
82.99871	3.2
84.15751	2.1
85.02912	13.0
86.09737	2.8
89.36797	1.7
97.02908	16.0
98.97596	63.2
101.00897	20.3
109.02884	4.9
109.03609	1.9
110.97587	7.1
112.99181	2.1
113.00878	10.0
115.02450	3.2
116.98629	17.7
117.76555	1.8
119.01929	22.7
127.02449	5.4
127.03944	4.7
128.98633	4.5
131.01924	17.3
134.99593	4.2
137.05878	2.9
139.02425	4.2
143.01898	9.2
145.03471	17.2
145.04951	3.0
152.05663	1.9
152.07056	2.4
153.01859	18.5
155.01923	16.7
157.03474	14.3
158.99689	4.6
159.01366	4.6
161.03011	12.9
163.03899	3.0
167.01967	7.3
169.03452	3.7
172.94395	3.3
173.02963	15.6
175.04657	2.2
177.00700	4.2
181.03488	4.3
185.02966	26.3
186.99295	2.5
187.04582	2.5
189.19748	2.2
192.96410	2.5
192.99898	7.4
197.02960	11.5
199.04535	2.4
201.00824	3.1
203.03978	13.6
209.02979	5.6
211.00891	41.8
211.02798	2.6
213.00647	2.9
216.86497	2.0
219.01814	8.2
221.05106	7.4
223.04742	2.5
227.04095	4.5
229.02005	15.7
232.96628	3.3
235.00960	7.2
237.02798	6.7
239.03868	2.9
244.99585	4.3
245.05095	61.7
247.00842	3.3
247.02974	15.4
249.02531	2.9
253.01845	10.0
256.96344	3.5
261.02637	3.3
263.00687	2.6
263.03751	4.1
263.04471	2.5
263.06329	15.0
265.01788	3.4
269.03271	3.7
271.03079	13.8
274.97562	34.1
279.03558	3.5
283.06625	3.7
285.04645	3.6
292.98602	11.2
295.03046	7.4
297.04550	3.5
307.02933	13.3
311.05978	6.7
313.03989	4.8
325.03946	4.5
337.04047	7.3
355.05130	100.0
373.06226	45.0
415.09985	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1002
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
60.69785	6.0
69.45557	11.0
69.45967	33.9
105.30226	5.9
142.38254	5.9
150.05534	6.3
166.22615	6.9
196.13925	5.1
285.24173	6.0
318.03534	6.4
351.22998	6.8
415.09979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3778
Annotation	Adiantone
Peak:m/z	Relative Intensity
53.03954	1.0
55.01868	1.0
55.05504	3.1
57.02851	0.7
57.07081	5.3
63.05101	0.7
63.06150	0.8
67.05517	5.5
69.07072	8.8
69.80347	3.7
71.08627	4.3
74.84280	0.8
79.05499	11.0
80.48528	0.7
81.07060	15.7
83.04984	8.1
83.08630	3.6
85.10200	3.3
88.60695	0.7
91.05490	2.7
93.07046	5.3
95.08607	11.1
97.06534	96.9
97.10172	3.8
98.20847	1.4
105.07018	3.1
105.77292	0.8
107.08618	5.6
109.06521	100.0
109.10160	6.4
110.06857	1.4
111.11711	2.5
114.57215	0.7
119.08608	2.8
121.06518	1.8
121.10162	3.0
123.08077	12.7
123.11710	2.6
131.08562	1.9
133.10155	3.4
135.11708	2.5
137.13239	1.7
145.10152	3.6
147.11708	1.7
149.09627	1.2
149.13298	2.0
159.11723	3.5
161.13326	1.1
163.11229	2.5
171.11745	1.1
173.13219	2.0
175.14827	0.9
177.12691	1.4
177.16371	0.9
185.13275	1.8
187.14926	1.7
191.14317	0.9
199.14842	0.9
201.16342	1.2
213.16414	2.1
215.18108	1.1
217.15967	1.1
241.19569	1.6
255.21185	1.7
273.22314	1.3
283.24365	1.5
297.25635	0.8
305.96133	0.8
395.36819	7.8
406.02313	0.9
413.37799	71.1
414.38141	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3781
Annotation	Stigmasterol
Peak:m/z	Relative Intensity
50.46760	4.7
54.40317	6.4
55.05514	15.7
55.49409	6.9
56.25263	5.2
57.07063	20.8
66.99805	6.0
67.05495	22.2
68.74508	4.9
69.07062	35.7
71.08620	14.5
71.50179	7.7
74.51984	5.0
79.05488	23.4
81.07064	55.1
81.84150	5.5
83.08623	16.9
85.10172	16.1
85.71629	5.1
91.05475	25.5
93.07047	20.9
95.08611	52.7
97.06536	9.1
97.10183	13.7
105.06351	5.8
105.07026	42.1
107.08611	35.0
109.10145	26.0
111.11703	9.7
117.07004	14.8
119.08595	37.3
121.10119	22.2
123.11778	8.3
129.06950	8.4
131.08588	31.7
133.10165	31.9
135.11700	20.6
137.13240	7.1
143.08519	10.3
145.10150	31.1
147.11723	31.0
149.13245	11.9
154.58475	5.7
157.10117	16.1
159.11713	77.5
161.13264	29.3
171.11662	13.2
173.13303	30.2
175.14825	13.8
177.12718	12.8
177.16415	6.3
185.13304	7.9
185.93758	5.6
187.14784	12.3
199.14854	22.3
213.16423	17.9
227.17824	7.4
231.17410	6.0
241.19508	7.6
247.24249	11.7
255.21118	21.5
263.98981	5.6
267.21173	5.5
275.84851	5.6
323.38138	6.6
395.36789	100.0
396.37436	7.3
413.32303	22.2
413.37741	57.3
427.12350	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	413.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.05502	12.7
57.07064	4.8
57.29345	2.2
67.05515	23.7
69.07069	14.0
69.11104	2.7
69.42255	18.1
69.42652	4.1
71.05007	4.6
75.97231	2.4
79.05495	16.0
81.03449	2.6
81.07068	45.8
83.04993	6.7
83.08640	5.9
83.65725	2.4
85.06550	3.8
91.05495	24.2
93.07056	43.2
95.08616	47.6
96.83466	2.5
97.10165	4.6
99.04479	3.5
99.08100	5.5
105.07040	40.4
107.08601	55.6
109.06504	3.3
109.10161	28.6
111.08092	6.8
115.05461	2.7
117.07037	8.7
119.08586	51.4
121.06518	88.2
121.10145	41.1
123.08076	6.0
123.11715	10.8
129.07008	6.3
131.08588	21.6
133.10129	35.2
135.08032	5.1
135.11703	25.0
137.09596	5.3
137.13202	4.6
143.08583	10.4
144.09349	3.1
145.10141	29.9
147.08061	15.6
147.11691	26.4
149.09634	22.7
149.13300	12.9
151.07498	2.7
151.11212	4.2
156.09297	3.4
157.10139	11.3
159.08118	4.0
159.11734	23.5
161.09613	20.7
161.13272	19.2
163.11153	12.7
163.14827	8.8
169.10120	6.6
171.11685	15.7
173.09631	3.9
173.13274	19.0
174.14000	3.8
175.11214	17.9
175.14783	18.1
177.12747	8.2
177.16429	9.9
181.10150	3.6
183.11739	2.8
184.42291	2.7
185.13263	9.3
187.11255	4.4
187.14828	100.0
188.15071	2.8
189.12781	10.5
189.16397	8.8
190.13472	6.1
191.14313	5.6
191.18059	3.5
195.11896	4.0
197.13260	4.2
199.14853	2.6
201.12646	4.0
201.16399	10.2
203.14375	5.1
203.17981	5.0
205.15906	12.4
211.14923	3.2
213.12521	2.9
213.16338	5.0
215.14305	6.1
217.15848	2.7
223.14845	4.6
223.16916	4.6
225.16379	6.4
227.17899	4.6
237.16409	3.5
239.17903	2.6
243.17644	2.7
302.61020	2.5
367.29977	4.1
377.28323	6.2
395.29199	10.6
395.33838	16.1
413.29498	41.8
413.34323	34.8
414.31094	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3417
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
55.05515	16.0
57.03435	2.7
57.07063	7.9
65.03944	2.7
67.05508	35.7
69.07066	17.4
71.08643	3.2
71.50978	4.2
79.05495	24.4
81.06608	3.4
81.07059	48.3
83.04977	4.2
83.08630	15.3
84.38713	2.3
85.06535	6.3
91.05477	29.1
93.07047	53.0
93.11423	2.2
95.04993	4.3
95.08615	100.0
97.10155	6.1
99.08091	9.1
105.06334	2.6
105.07038	48.0
107.07885	5.2
107.08598	80.1
108.35680	2.7
109.06499	3.2
109.10160	54.7
111.08059	3.4
115.05413	3.2
117.07024	6.2
117.65080	2.5
119.08588	89.7
120.08923	3.1
121.10157	62.2
123.08020	6.7
123.11700	22.1
125.09639	4.6
129.07030	3.7
131.08574	32.4
133.10147	64.1
135.08031	8.8
135.11697	38.9
137.09630	11.2
137.13278	3.9
139.11215	6.1
141.06995	2.9
142.07806	3.1
143.08565	10.6
144.09271	2.6
145.10141	40.3
147.11694	35.5
149.09624	4.4
149.13251	27.2
151.11182	17.3
155.08542	3.1
156.09288	3.7
157.10167	12.3
158.10866	3.6
159.11703	41.0
161.13284	25.8
163.11127	5.4
163.14839	22.6
165.12778	7.7
169.10129	5.0
171.11653	17.1
173.13260	31.3
175.11234	7.7
175.14832	22.3
177.12720	5.6
177.16373	10.0
179.14337	4.6
179.59865	2.5
183.11688	8.1
185.13214	15.7
187.14792	37.8
189.12730	4.5
189.16402	20.6
191.14293	5.2
191.17946	7.6
193.15865	4.7
197.13297	3.3
199.14847	11.4
201.16402	15.1
203.14320	4.5
203.17947	11.8
205.15932	13.6
207.17432	3.4
211.14801	7.3
213.16383	10.9
215.14449	2.8
215.17963	9.8
217.19412	5.0
219.17404	7.1
225.16377	6.0
227.17915	7.0
229.19368	5.7
231.21080	3.4
233.19020	6.1
239.17940	6.0
241.19489	6.4
243.21175	6.9
245.19067	3.6
253.19595	2.8
255.21115	4.1
257.19070	3.8
257.22363	2.9
259.20477	3.8
261.22183	3.1
271.20499	2.9
283.21027	2.6
287.23779	3.6
299.23712	6.2
301.25311	7.7
307.23959	3.6
321.25436	3.0
323.27252	4.3
325.25247	4.2
339.26965	7.2
355.29913	3.4
367.33609	2.6
377.32126	14.0
383.33069	21.3
395.33206	73.6
413.29953	17.2
413.34790	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3416
Annotation	Calicoferol F
Peak:m/z	Relative Intensity
55.01816	1.6
55.05504	6.5
57.03430	1.5
57.07062	1.8
67.05517	11.7
69.07064	8.3
69.40372	5.9
69.40810	6.8
78.80476	1.4
79.05488	10.0
81.07058	25.8
83.08608	4.7
85.06532	1.9
91.05500	14.2
93.07050	24.2
95.08611	26.4
97.10164	3.5
99.08083	2.7
105.07036	17.8
107.08598	28.8
109.10167	18.1
111.08118	2.8
117.07051	3.1
119.08591	22.4
121.06509	100.0
121.09350	2.5
121.10148	26.2
123.08045	5.0
123.11678	5.1
129.07018	2.2
131.08557	11.8
133.10124	18.0
135.08064	5.5
135.11707	11.9
137.09601	3.5
137.13255	3.1
143.08542	3.4
145.10114	17.0
147.08066	10.7
147.11693	9.3
149.09628	20.8
149.13255	9.1
157.10150	5.9
158.10902	3.5
159.11696	9.1
161.09621	21.0
161.13243	6.4
163.11208	11.8
163.14772	7.0
171.11691	4.9
173.13338	8.2
175.11185	9.8
175.14839	12.6
177.16379	7.3
185.13356	2.9
187.14833	98.1
189.12729	8.9
189.16373	4.5
190.13525	5.8
191.14325	5.9
191.17931	2.4
201.16414	4.6
203.14365	4.2
203.17896	2.4
205.15926	5.7
215.14322	3.3
395.29416	2.1
395.33237	17.7
413.34583	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3417
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
53.03936	3.6
55.05512	18.0
57.07067	4.7
65.03936	2.9
67.05504	26.4
69.03426	3.2
69.07072	25.3
69.56140	16.2
71.04993	3.9
79.05500	21.7
81.03408	3.3
81.07059	56.2
83.05000	6.3
83.08628	11.4
85.06570	3.0
87.04457	3.2
88.92879	2.2
91.05473	22.2
93.07048	50.8
95.04971	4.2
95.08611	100.0
95.32738	2.2
97.06555	3.8
97.10171	5.4
98.20859	4.6
99.08076	3.4
105.07037	62.4
107.08598	72.3
107.09315	3.9
109.10158	53.9
111.08068	5.5
111.11725	2.8
117.07018	9.3
119.07721	4.9
119.08582	73.1
121.06458	3.3
121.10156	57.6
123.08092	6.6
123.11707	19.6
125.09671	5.4
129.07028	3.7
131.08575	18.2
133.10135	45.7
135.08076	5.5
135.11697	39.8
137.09654	6.2
137.13289	6.0
142.07800	3.9
143.08549	9.6
144.09372	2.7
145.10127	32.7
147.11705	44.1
149.09651	5.8
149.13269	31.1
151.11176	8.1
155.08549	3.2
156.09395	2.9
157.10129	17.3
158.11003	2.2
159.11700	31.3
161.09682	3.1
161.13272	38.3
163.11174	5.6
163.14825	29.0
165.12753	2.6
165.16426	3.3
169.10118	4.9
170.11024	3.7
171.11714	13.9
172.12552	2.5
173.13268	19.8
175.11223	9.5
175.14798	30.3
177.12740	6.9
177.16373	20.7
179.14339	5.8
183.11729	6.4
185.13313	15.1
187.14818	23.2
189.12752	3.1
189.16377	26.6
191.14349	7.4
191.17905	17.1
195.12111	3.6
195.13795	19.6
197.13202	3.5
199.14792	7.9
201.16318	11.2
203.14218	5.6
203.17960	37.8
205.15849	11.6
205.19499	3.0
207.13838	7.3
209.03047	2.3
209.15302	2.7
213.16412	10.5
215.17989	11.7
217.15865	4.6
217.19516	22.1
219.17407	2.8
221.15347	3.6
223.16982	5.2
225.16483	4.5
227.17935	5.5
229.19543	6.0
231.17398	5.4
231.21088	22.8
239.18077	3.8
241.19592	3.2
243.21019	13.2
245.19069	8.0
245.22627	5.9
255.21159	3.2
257.18930	2.8
257.22607	9.4
263.20096	5.6
267.21182	3.3
285.70853	2.5
311.27264	3.3
314.67474	2.7
377.28549	3.6
377.32040	14.5
395.28677	3.8
395.33453	28.6
413.22025	4.7
413.30783	16.5
413.34689	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3053
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
55.05511	6.1
57.07069	2.1
67.05502	5.9
69.03423	1.3
69.07055	3.9
70.72408	2.2
71.04972	1.7
79.05508	6.7
81.03415	1.1
81.07062	11.5
83.04983	1.1
83.08606	3.1
85.06538	2.0
91.05492	9.1
93.07050	13.5
95.04925	1.5
95.08620	12.1
97.06539	2.3
99.04447	3.1
99.08073	2.4
105.06328	1.3
105.07034	24.4
107.08597	15.7
109.06505	2.1
109.10160	14.5
111.08052	3.5
117.07011	3.4
118.11432	1.0
119.08586	25.0
121.06506	1.6
121.09342	1.4
121.10157	15.9
123.08053	2.7
123.11742	5.9
125.09647	1.4
127.07561	1.1
129.06975	2.7
131.08585	9.2
132.09351	1.1
133.10132	14.9
135.08064	2.4
135.11682	7.5
137.09694	1.6
137.13258	1.4
139.11194	1.0
141.06950	1.0
142.07796	1.6
143.08577	6.9
145.10129	18.8
146.10548	1.3
147.08040	2.9
147.11691	15.7
149.09605	3.3
149.13258	3.0
151.11188	3.5
155.08534	1.9
156.09319	1.6
157.10150	7.6
158.10876	1.3
159.11708	8.9
161.09630	1.3
161.13274	7.0
163.11208	2.6
163.14835	3.2
166.47415	0.9
169.10127	3.1
170.10942	1.3
171.11668	7.0
173.09576	4.0
173.13260	7.1
175.09787	2.1
175.11195	28.3
175.14778	5.7
177.12744	2.6
177.16391	3.0
183.11670	4.5
185.13281	5.6
187.11215	1.6
187.14851	12.7
189.12747	3.2
189.16368	3.8
191.14311	3.1
195.11644	1.3
195.13789	1.7
196.12347	1.4
197.13229	2.7
199.14819	5.5
201.16455	2.4
203.14296	2.1
203.17812	1.8
205.15903	9.9
215.14389	1.3
215.18109	1.4
217.15948	1.1
223.14998	1.7
223.16936	6.3
225.16409	2.8
227.18045	1.3
239.18074	1.3
243.17444	1.4
245.19150	1.2
262.21472	1.2
290.22882	1.2
325.25082	1.3
377.28336	2.2
395.29202	7.5
395.33774	2.0
413.30490	100.0
414.30734	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	413.3053
Annotation	Testosterone cypionate
Peak:m/z	Relative Intensity
53.03951	2.4
55.05514	4.7
67.05516	10.5
69.07073	9.0
70.68125	3.0
79.05489	10.2
81.07066	17.5
83.04993	1.8
83.08649	2.9
85.06542	1.6
91.05483	18.5
93.07059	20.3
95.04975	2.4
95.08611	17.5
97.06570	1.6
99.04459	2.7
105.07041	37.3
105.07707	2.9
107.08605	21.7
109.06515	5.1
109.10162	20.2
111.08081	3.4
117.07029	5.7
119.04983	1.8
119.08601	23.7
121.06496	4.5
121.10155	14.5
121.41214	1.3
123.08086	3.0
123.11712	5.9
125.09636	3.2
128.06223	2.8
129.07031	3.5
131.08556	10.3
133.06564	2.9
133.10147	24.7
135.08058	2.5
135.11705	9.8
137.09605	4.3
139.11221	1.6
142.07785	2.4
143.08586	9.0
145.10139	19.4
147.08006	5.8
147.11714	16.9
149.09615	4.6
149.13275	5.9
151.11217	5.3
157.10117	9.3
159.11707	11.5
161.09621	3.4
161.13274	9.6
163.11234	3.7
163.14842	5.4
164.88147	1.5
165.12762	2.2
169.10141	2.5
171.11667	9.5
173.09676	3.4
173.13280	10.7
175.11201	44.9
175.14868	5.6
177.12703	2.8
177.16408	5.6
182.10973	1.7
183.11739	5.1
185.13266	7.2
187.11201	1.9
187.14848	20.1
189.12781	5.7
189.16393	3.7
191.14407	4.6
191.18016	2.0
196.12378	1.6
197.13293	4.1
199.14809	3.6
201.16431	3.3
203.14386	2.1
203.18024	3.8
205.15877	17.2
211.14920	2.5
213.12820	1.8
213.16374	3.3
223.14914	2.7
223.16986	14.6
225.16388	2.4
227.17934	2.9
237.16386	2.3
241.15936	3.2
243.17609	2.8
245.19038	1.9
253.16435	1.5
283.20538	3.6
301.21906	1.9
377.28369	5.7
395.25272	1.8
395.29279	10.7
395.33984	1.8
412.78137	1.5
413.30554	100.0
414.30988	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	413.1417
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.81152	0.6
56.05025	0.9
59.03117	0.6
70.06573	0.8
71.42852	1.2
74.06077	2.2
96.78231	0.6
102.05538	0.9
108.00912	0.6
119.03560	3.9
120.06579	7.8
136.06192	100.0
137.04564	1.5
147.04436	1.2
162.04124	60.3
189.52319	0.6
203.17725	0.7
235.17499	0.6
281.09949	48.1
413.13989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.215
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
65.25387	0.4
69.03431	0.9
70.72479	1.3
78.81078	0.4
79.05476	0.6
81.03404	0.5
81.07072	0.8
91.05484	0.8
93.07043	1.3
95.04966	0.5
95.08668	0.4
97.06531	0.8
105.07043	1.7
107.08614	0.9
119.08581	0.9
121.06488	0.7
127.03941	0.5
129.65054	0.5
133.10130	0.7
135.08095	0.6
137.05962	2.0
139.07536	0.5
145.10143	0.6
147.04440	0.8
147.11722	1.2
148.04739	0.6
153.09190	0.5
165.12732	0.7
175.11105	0.5
189.12701	0.5
193.12267	2.0
199.07556	1.1
203.05377	0.7
217.12268	0.7
229.08630	1.0
235.13463	0.6
259.09775	0.6
277.10641	0.7
395.20441	0.8
413.21506	100.0
414.21945	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	8.5
66.37758	4.8
67.62494	4.4
69.03434	8.7
69.53912	36.7
85.02913	10.6
85.26871	4.6
97.02898	9.3
98.20828	10.5
98.97601	26.9
100.26536	4.8
101.00871	5.0
110.97590	8.2
136.06166	14.8
143.01866	6.2
145.03500	9.2
147.04459	6.3
155.01834	6.2
158.99704	6.2
161.02965	7.9
162.04080	13.2
163.03879	5.0
177.00687	8.6
179.67670	4.8
201.00766	5.3
219.01747	11.5
237.02888	5.5
245.05299	5.8
251.04301	5.6
275.04013	6.3
281.10028	10.4
353.07382	11.6
413.08502	100.0
415.98645	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	413.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03946	1.6
55.01877	0.3
65.03928	1.1
67.05482	0.3
69.03419	1.0
69.07077	0.3
69.22425	0.2
71.23830	0.4
77.03914	0.7
79.05485	0.6
81.03423	0.4
81.07058	0.5
91.05483	12.2
93.07053	0.5
95.04976	2.0
95.08631	0.4
100.50865	0.2
105.03397	28.2
105.04530	0.9
105.07028	0.8
106.03716	0.4
107.05008	0.3
107.08607	0.6
109.02857	0.8
109.10181	0.4
115.92698	0.2
117.07037	0.3
119.04947	24.9
119.08587	0.6
121.06528	0.3
121.10137	0.4
127.03840	0.3
129.07010	0.2
131.08556	0.3
133.02866	0.3
133.10159	0.5
137.05984	0.7
141.07030	0.6
141.68297	0.2
144.05655	0.3
145.10185	0.2
147.04413	100.0
148.04771	1.1
155.08539	0.4
157.06541	1.1
159.08089	0.3
159.11700	0.4
163.42473	0.2
165.05507	0.7
169.06479	0.6
171.07971	0.3
173.13292	0.4
174.80504	0.3
175.07584	0.5
185.05992	0.9
187.07539	1.7
187.14828	0.4
201.09096	0.4
203.07069	0.6
211.07536	0.7
213.05518	1.2
218.07289	0.3
227.07030	0.8
231.06529	3.5
255.06595	0.6
273.07526	0.7
326.08472	0.3
353.13928	1.1
395.11356	0.8
395.29303	0.3
413.12430	0.4
413.30545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	26.8
61.02945	5.6
69.03436	76.8
69.06710	3.4
70.20876	11.3
71.05001	3.9
71.20304	3.2
73.02945	4.2
81.03425	7.2
83.08612	4.5
85.02916	91.9
86.09671	5.4
87.04478	55.8
91.03970	4.0
97.02905	65.2
99.04445	4.1
104.10750	8.0
105.59295	3.3
106.72691	3.1
111.08083	4.6
115.03951	84.2
117.33642	3.3
127.03905	16.9
133.04987	100.0
145.04991	30.5
150.07642	10.6
163.06058	10.4
167.10725	4.7
179.79248	3.2
184.07399	10.9
227.12979	3.8
263.14917	3.6
295.09967	3.6
407.20868	3.5
412.20428	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	412.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03931	1.5
53.49239	0.4
55.01862	1.0
55.05518	5.0
56.05037	3.9
56.15416	0.6
57.03428	1.3
57.07066	1.8
57.73883	0.4
60.04535	2.5
65.03944	0.6
67.05510	14.3
68.05025	1.1
69.03432	4.7
69.07073	4.9
70.06599	0.6
70.27491	0.5
71.05006	2.6
77.03909	0.7
79.05499	14.6
80.05019	3.8
81.03413	1.7
81.05805	2.7
81.06596	0.9
81.07061	15.3
82.06584	4.5
82.07378	0.7
83.04993	0.9
83.08620	3.2
85.06530	2.2
87.04474	3.0
91.05486	7.5
93.05783	0.9
93.07050	25.5
94.04639	0.4
94.06572	18.1
95.04978	2.9
95.07358	0.7
95.08613	21.5
96.08144	4.1
96.08953	1.1
97.06536	4.7
97.10165	1.7
103.05470	1.2
105.04510	0.7
105.07031	11.9
106.06597	0.6
106.07325	0.7
107.07350	4.2
107.08607	3.2
108.08195	0.6
108.08919	1.0
109.10171	2.3
110.09693	12.3
111.08089	14.3
113.05984	0.9
117.07001	0.9
119.08591	2.8
120.08105	1.3
120.08941	1.2
121.06506	0.7
121.10152	2.6
122.09676	32.5
123.08071	25.8
123.11719	1.2
128.10722	41.4
131.08525	1.0
133.10110	2.2
134.10498	0.6
135.08080	0.8
135.11687	2.0
137.13309	0.8
140.10712	100.0
141.09114	9.0
141.11072	1.1
143.08537	0.9
145.10130	1.4
146.10481	1.0
147.11702	1.4
149.13303	0.9
157.10150	1.0
158.11778	8.4
159.11696	1.0
161.13307	0.9
162.13608	0.7
163.11278	0.6
163.14867	1.3
164.15195	0.6
172.12209	0.5
173.13286	1.1
174.13788	0.6
175.14859	0.7
176.15222	0.5
177.12837	0.6
177.16296	0.5
185.13243	1.0
186.13756	0.6
187.14885	1.0
188.15079	1.1
197.13208	0.6
199.14803	0.5
201.16235	0.6
202.45840	0.5
223.59167	0.5
254.24806	1.5
272.25858	7.1
277.60370	0.5
292.89182	0.5
344.59637	0.5
364.32263	1.1
376.31790	1.3
382.33133	5.2
394.33093	11.4
395.33716	0.7
412.28909	0.7
412.33926	9.4
413.34723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93272	2.5
57.03442	7.6
69.03448	3.8
69.07070	6.8
69.84014	13.3
71.04994	74.8
71.77734	2.8
73.02917	3.0
75.04453	3.0
75.21973	3.1
82.89236	2.5
83.04979	9.8
85.02909	100.0
87.26143	2.5
97.02892	8.6
98.20801	3.8
99.04422	3.9
111.04461	3.9
112.91037	2.8
127.03925	6.3
129.05492	41.8
137.56390	2.4
145.04903	6.2
147.06544	22.0
155.07109	3.0
159.92198	3.1
164.09206	4.6
172.47655	2.9
199.10483	2.4
310.62274	3.1
384.61267	2.8
412.16565	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75235	2.5
57.03425	10.7
69.03419	3.8
69.07047	7.3
70.16131	5.8
70.16536	7.0
71.04613	4.1
71.04996	67.1
73.02909	2.6
83.04994	11.5
85.02907	100.0
87.04477	2.5
93.06989	2.7
93.70582	2.4
97.02936	2.5
111.04448	4.3
127.03915	7.1
129.05487	46.1
133.80736	2.5
144.46413	2.5
145.04999	9.1
147.06543	21.4
153.09140	3.4
163.06017	3.5
183.01428	3.0
212.27036	2.8
218.37411	2.5
254.29720	2.5
264.67764	2.6
277.10785	2.6
291.47437	2.6
309.11642	2.7
341.17581	2.3
350.62579	2.5
382.23749	2.8
412.12341	3.2
412.16660	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	411.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40573	2.4
53.03947	3.3
53.31209	2.3
54.71228	2.1
55.05517	14.2
57.07078	12.1
61.01194	2.5
65.03964	2.4
67.05508	36.7
68.29371	2.3
69.07071	30.9
77.03930	4.4
79.05497	29.0
81.03448	3.1
81.07061	68.9
83.08630	16.5
83.59551	2.9
85.06565	5.3
91.05484	28.9
93.07049	65.9
95.04965	8.4
95.08614	100.0
97.06520	3.4
97.10149	6.8
98.21475	5.6
99.08094	7.2
102.79432	2.4
105.07044	54.0
107.08601	99.0
109.10163	54.3
111.08070	4.3
111.11705	3.2
117.07025	5.8
119.08588	90.0
120.08884	2.6
121.06518	17.0
121.10149	70.2
122.10535	2.4
123.08126	3.4
123.11741	27.1
125.09634	3.9
129.07033	4.3
131.08569	19.1
133.10136	81.8
135.08072	6.3
135.11700	46.6
137.09616	7.2
137.13298	11.4
138.49626	2.7
139.11238	4.6
142.07773	3.9
143.08563	13.1
144.09425	3.7
144.97755	2.5
145.10135	28.3
147.08076	18.4
147.11700	49.1
149.09604	3.6
149.13275	55.1
151.11125	3.4
157.10114	13.7
158.10863	2.7
159.11716	25.3
161.09619	21.9
161.13263	26.6
163.11205	9.5
163.14830	41.0
169.10118	3.4
171.11676	14.8
173.13289	20.8
175.11182	16.4
175.14818	20.8
177.12781	3.1
177.16354	13.5
183.11717	3.9
185.13210	11.5
187.11244	4.0
187.14859	22.0
189.12703	21.3
189.16391	28.3
191.14355	3.9
191.17990	38.3
197.13173	3.6
199.14833	7.2
201.16405	15.9
203.14365	7.8
203.17975	33.9
205.15933	5.1
205.19609	5.2
209.13327	3.2
211.14868	5.0
213.16443	9.0
215.14276	3.2
215.17978	7.9
217.19524	14.0
219.17545	2.8
221.19066	3.8
227.17926	5.0
229.19527	5.8
231.21124	28.9
233.18909	3.3
239.17859	2.5
241.19568	6.7
243.21100	4.6
245.22668	2.9
255.21092	6.4
257.22607	4.9
259.20523	3.5
269.22675	7.6
271.24167	3.4
273.22171	7.5
337.24976	2.7
339.30411	3.9
341.28641	3.2
393.31335	17.2
411.32312	43.5
411.36310	56.4
412.36752	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05502	9.1
57.07070	6.6
62.59151	3.6
64.32065	3.6
67.05510	31.6
69.07072	24.0
69.96374	3.5
70.56111	7.4
71.08617	4.0
73.12200	3.5
79.05489	14.6
81.07064	57.5
83.08598	9.8
91.05476	17.8
93.07047	39.2
95.08613	84.6
97.10182	6.1
102.17056	3.1
105.07047	22.9
107.08591	54.0
108.60358	3.0
109.10165	50.4
111.08108	3.9
111.11727	3.9
119.08585	33.3
121.10147	49.2
123.11695	25.1
131.08577	11.5
133.10127	26.8
135.11693	47.7
137.13272	4.9
143.08546	4.5
145.10132	16.3
147.11691	24.6
149.13298	17.3
151.07555	10.0
152.07935	9.2
157.10153	6.4
159.11719	18.5
161.13271	19.8
163.14856	20.6
171.11708	5.7
173.13260	14.6
175.14844	13.8
177.16402	19.1
185.13362	6.8
187.14867	10.9
189.16405	6.0
191.17902	6.6
199.03868	3.4
201.16417	12.9
203.17986	6.6
215.17975	10.5
217.19492	8.2
229.19556	6.4
231.20929	7.6
233.19008	3.6
243.21114	13.5
244.48132	3.8
245.22697	12.4
255.21045	10.9
257.22705	16.8
259.24216	4.4
269.22604	7.0
271.24194	7.8
274.17508	3.3
287.23657	7.6
312.11014	4.0
356.88242	3.9
393.35214	46.4
411.36273	100.0
412.37057	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	411.3624
Annotation	19-Norlanosta-5,24-dien-11-one
Peak:m/z	Relative Intensity
55.05508	3.3
57.07066	6.0
67.05508	8.5
69.07074	11.4
70.89028	3.5
71.08626	6.7
73.31061	1.3
79.05486	5.8
81.07065	18.6
83.04981	4.0
83.08602	3.6
85.10190	4.8
91.05487	3.5
93.07046	8.5
95.08609	16.8
97.06528	6.6
97.10165	3.8
105.07054	4.5
107.08586	9.7
109.10147	6.6
110.13949	1.3
111.11751	2.4
117.07056	1.3
119.08586	4.1
121.06501	1.6
121.10162	5.9
123.11710	2.2
131.08540	1.8
133.06596	1.6
133.10136	3.2
135.11696	6.6
137.13272	1.9
143.08620	1.4
145.10124	2.9
147.07996	2.5
149.09634	3.9
149.13284	4.0
157.10153	2.5
158.51781	1.5
159.08012	1.4
161.09563	8.5
163.11203	4.0
163.14844	5.6
171.11700	2.5
175.11217	5.7
177.16399	3.4
230.41486	1.4
275.27390	6.0
283.89380	1.6
288.20102	1.6
342.18762	1.7
411.36240	100.0
412.36475	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	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05505	12.8
57.07070	3.4
67.05508	25.4
68.21316	2.7
69.07069	24.9
69.60480	15.5
74.65617	2.9
75.34581	3.0
79.05487	17.3
81.07063	53.6
83.08604	11.2
91.05470	16.8
93.07052	32.3
95.05000	3.7
95.08614	100.0
97.10162	7.2
98.20830	5.7
101.44493	2.8
102.49568	2.7
105.07031	31.5
107.08606	57.8
109.09492	4.4
109.10168	62.6
117.07048	5.2
119.08590	46.3
121.10168	45.3
123.11694	18.5
130.07825	3.1
131.08554	12.5
133.10136	36.3
135.11702	40.3
137.13322	4.6
145.10124	18.5
147.11711	30.7
149.13281	26.2
156.54324	3.1
157.10034	4.4
159.11719	22.6
161.13258	23.9
163.14801	25.9
171.11684	7.8
173.13289	17.5
175.14844	49.1
177.12733	2.8
177.16417	22.1
184.29436	3.0
185.13213	7.6
187.14841	12.0
189.16420	28.6
191.17931	23.9
198.79425	3.7
199.14865	4.7
201.16389	21.9
203.17989	35.1
205.19484	5.6
207.17499	13.7
215.17966	18.2
217.19556	9.4
219.17404	3.7
227.17929	4.5
229.19508	8.3
231.21115	5.5
233.19023	5.4
241.19545	4.1
243.20959	10.6
255.21085	4.9
257.22571	6.7
269.22656	4.4
297.25766	7.3
315.26709	7.5
341.28488	4.4
351.30386	6.5
393.35324	43.3
411.16052	3.3
411.36319	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05520	13.6
57.07068	6.2
66.91766	2.7
67.05501	25.1
69.03416	2.7
69.07056	19.1
69.22228	8.7
69.22639	17.6
71.08612	3.1
71.44276	2.5
79.05491	15.1
81.07053	59.8
83.08633	13.9
85.06524	2.6
91.05476	18.1
93.07052	45.3
95.08609	100.0
96.08941	3.0
97.06577	2.8
97.10174	8.1
98.50889	2.6
103.92358	2.7
105.07026	33.5
107.08596	65.7
109.06524	3.5
109.10165	58.1
111.11717	4.2
117.07034	4.5
119.08597	42.7
121.10149	45.8
123.08065	4.2
123.11710	21.2
129.06984	2.6
131.08565	14.4
133.10136	36.7
135.11693	33.2
137.13246	6.3
143.08572	3.9
145.10118	21.5
147.11705	25.1
149.13283	32.5
151.11137	3.7
157.10139	7.5
159.11702	22.9
161.13269	30.3
163.14822	28.3
171.11679	8.8
172.12515	3.4
173.13281	18.4
175.14827	38.9
177.16374	24.6
179.14278	6.3
185.13245	3.5
187.14781	16.8
189.16382	28.6
191.18002	22.1
193.15877	4.5
199.14783	5.2
201.16321	21.2
203.17960	40.8
205.19492	4.7
207.17438	6.6
211.14992	3.3
213.16345	4.0
214.88889	2.7
215.17937	26.9
217.19504	10.2
227.17970	3.7
229.19542	11.5
231.17384	2.9
231.21088	9.4
233.19012	8.6
241.19603	3.4
243.21063	9.3
255.21069	5.6
257.22614	5.5
269.22546	5.7
287.23508	5.3
323.27576	3.3
351.30426	11.2
393.30701	4.6
393.35229	48.9
411.19705	3.9
411.36572	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.05509	10.6
67.05506	20.4
69.07068	15.6
70.83704	2.6
70.84055	2.9
76.37013	1.4
79.05493	17.8
81.07062	44.0
83.08624	10.1
91.05468	13.3
93.07045	43.2
94.53936	1.5
95.08610	100.0
97.10171	4.0
105.07037	27.3
105.24072	1.8
107.08601	70.1
109.06535	2.5
109.10168	40.8
111.08027	1.8
117.07021	1.7
119.08582	32.2
121.10146	49.5
123.11694	15.0
131.08607	3.2
133.10130	26.2
135.11699	30.7
137.13260	5.6
143.08627	1.6
145.10123	7.3
147.11676	18.8
149.13258	32.0
151.11208	1.7
157.10077	1.6
159.11726	6.1
161.13260	16.7
163.14824	54.9
163.16124	3.2
173.13301	6.6
175.14836	19.0
177.12833	2.3
177.16414	20.9
179.14334	6.9
187.14859	11.7
189.16379	22.7
191.17975	13.7
201.16364	10.0
203.17976	24.9
205.15935	3.7
205.19519	3.6
207.17503	6.1
215.18100	3.5
217.19547	5.8
219.17377	1.8
221.18964	1.7
227.17920	2.0
229.19595	2.8
231.21106	16.7
233.19084	3.9
233.22697	1.7
241.19504	2.7
243.21321	2.0
294.71252	1.7
297.22879	1.9
297.25748	10.3
315.26996	5.1
323.27313	2.1
353.94360	1.7
364.24442	1.4
374.96509	1.5
393.35129	8.0
411.36288	53.2
415.30270	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.7
55.01865	3.0
55.05307	2.1
55.05513	22.7
55.25520	2.6
57.03451	4.0
57.07070	15.2
59.61353	2.2
67.05177	3.6
67.05507	35.3
69.03415	7.7
69.07072	32.1
71.04971	3.2
71.08620	5.0
79.05083	4.0
79.05502	35.0
81.03408	11.1
81.07063	66.2
83.04991	3.3
83.08613	29.9
85.06501	2.8
91.05490	33.1
92.59828	2.3
93.07054	65.6
95.04948	8.3
95.08618	93.5
97.06528	3.3
97.10159	8.2
99.04437	3.9
99.08121	3.0
103.05475	3.9
105.07038	57.5
107.04951	3.2
107.07890	5.4
107.08602	95.8
109.06487	7.0
109.10162	69.4
111.08069	3.6
117.06998	7.5
119.08595	67.7
121.06509	3.2
121.10151	100.0
121.11048	4.7
122.10479	3.3
123.08052	5.1
123.11734	24.5
125.99590	2.1
129.06982	4.7
131.08569	27.5
133.10139	50.8
135.08035	2.8
135.10733	2.7
135.11711	43.7
137.09621	6.3
137.13292	11.6
137.14156	2.3
142.07961	2.7
143.08531	9.7
145.10130	32.6
147.11703	27.3
149.09584	6.3
149.13254	26.1
151.11142	4.4
151.14830	11.6
156.09305	4.4
157.10179	16.6
159.11687	28.6
161.09575	5.9
161.13290	21.7
163.11205	2.8
163.14851	28.3
165.12785	5.5
165.16403	17.4
169.10107	4.9
171.11684	14.3
173.13293	20.5
175.11298	3.9
175.14848	56.9
177.12776	3.7
177.16414	60.0
179.14204	3.5
183.11641	5.0
185.13287	16.0
187.14839	35.2
189.16412	51.8
189.18102	3.3
191.17996	18.2
193.12309	4.4
193.15889	6.8
195.11765	2.9
197.13286	2.9
199.14879	11.9
201.16408	45.3
203.17911	15.1
205.12251	6.0
205.15797	5.3
207.17418	4.1
211.14845	4.0
213.16420	11.4
215.17972	7.3
217.15886	3.2
217.19547	4.6
221.15367	7.4
225.16351	6.6
227.17894	8.0
229.15865	3.3
229.19356	5.5
233.15379	6.0
234.78758	2.7
241.19592	4.5
245.15395	2.9
253.19444	4.3
259.17017	5.2
267.21121	3.7
281.22641	8.4
283.24149	5.7
287.96823	2.6
288.67407	2.6
295.24136	6.3
315.23166	5.4
327.23114	7.5
337.28867	3.9
341.24506	3.9
355.26199	5.6
365.32071	18.0
385.82468	2.5
393.31262	11.2
411.19876	8.3
411.32477	69.2
412.32950	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	411.3259
Annotation	Topsentisterol E1
Peak:m/z	Relative Intensity
55.05515	8.5
57.07072	3.7
67.05517	12.4
69.07070	10.7
70.02610	4.1
70.02990	4.4
72.78057	2.1
79.05492	10.0
81.07063	23.2
83.08609	7.0
91.05494	12.1
93.07049	22.4
95.08617	31.3
99.08099	15.0
105.07041	26.2
107.08604	39.0
109.06516	2.4
109.10165	29.0
111.08099	3.1
117.07027	4.9
119.08596	39.8
121.10162	30.9
123.08071	2.4
123.11708	13.3
125.09712	2.7
127.95644	2.2
129.07043	2.9
131.08594	22.1
133.10150	34.9
135.11699	28.3
137.09654	4.0
137.13278	3.2
142.07808	4.0
143.08606	9.6
145.10144	26.4
147.11700	18.2
149.13269	12.3
151.11211	7.6
155.08560	3.9
156.09364	4.3
157.10143	17.4
159.11693	17.5
161.09616	3.9
161.13246	10.9
163.11169	3.2
163.14827	4.9
169.10155	5.9
170.10893	3.5
171.11736	18.1
171.77373	2.4
173.13261	18.5
175.14862	12.6
177.12842	4.3
177.16431	3.2
182.10941	2.3
183.11652	11.3
185.13266	20.6
187.14836	27.2
189.12749	2.5
189.16408	11.7
195.11755	5.3
195.13663	2.2
197.13289	8.3
199.14825	11.5
201.12848	3.3
201.16399	16.0
203.14366	6.0
203.18024	4.6
205.15918	6.8
209.13412	3.6
211.14835	5.7
213.16454	7.2
215.18019	4.0
217.15994	3.5
217.19470	3.5
223.14861	2.9
225.16463	6.2
227.18042	4.4
228.39922	1.9
229.19579	4.1
237.16519	2.5
239.18001	7.6
241.19514	12.3
243.17514	2.4
243.21086	7.2
251.17934	3.3
253.19493	3.2
255.18521	2.2
255.21074	13.4
257.19095	5.6
259.20697	5.6
269.18945	3.0
271.20624	3.5
273.22192	6.7
295.24048	3.0
321.25864	3.8
323.23834	4.2
327.27078	2.4
337.25125	2.7
339.26932	7.4
341.24670	2.7
358.44055	2.1
375.30606	9.8
381.31595	5.1
393.27158	2.1
393.31555	54.4
393.36371	4.0
411.32666	100.0
412.33612	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	411.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.05511	9.6
57.07082	4.0
59.05014	2.1
65.03958	1.3
67.05511	20.0
67.05843	1.8
69.07073	17.2
70.67033	3.2
70.67381	2.1
71.05005	3.0
77.03954	1.8
79.05507	16.8
81.07063	32.4
83.05000	3.6
83.08641	7.3
85.06590	4.0
91.05484	18.8
93.07054	37.4
93.07647	1.9
95.05015	2.3
95.08621	41.5
96.08968	1.4
97.06569	2.5
97.10198	3.8
99.08113	18.4
105.07041	32.9
107.08605	52.4
109.06532	3.9
109.10168	30.6
109.10842	2.1
111.08114	3.6
113.09660	2.0
117.07003	7.4
119.08591	51.2
121.06549	3.3
121.10162	48.7
123.08073	4.1
123.11708	13.7
125.09675	2.5
128.06261	1.9
129.07043	4.5
131.08559	22.5
131.09389	1.9
133.06548	1.9
133.10133	40.6
133.11072	2.5
135.08116	4.8
135.11696	37.3
137.09697	4.2
137.13293	6.6
139.11256	2.2
141.05954	1.6
141.07018	2.9
142.07835	3.8
143.08566	13.2
144.09355	2.7
145.10139	35.5
147.08150	4.5
147.11693	23.7
149.09711	4.0
149.13260	15.6
151.11188	8.7
155.08620	4.8
156.09428	5.0
157.10133	19.1
158.10873	2.0
159.11705	26.6
159.12898	2.2
161.09679	3.2
161.13257	15.5
163.11235	5.1
163.14844	9.1
165.12845	3.5
169.10115	7.3
170.10986	4.4
171.11700	19.6
172.12335	2.0
172.82858	1.7
173.09673	2.2
173.13281	26.9
173.14662	1.4
173.17406	1.7
175.11273	5.0
175.14841	16.5
175.16096	1.5
177.12772	7.8
177.16443	4.5
179.14410	1.7
181.10266	3.3
182.10974	2.1
183.11716	10.6
185.13281	26.0
185.14854	1.7
186.14044	1.6
187.11249	2.3
187.14830	30.5
189.12854	3.9
189.16428	15.5
191.10864	1.9
191.14394	4.4
191.17950	3.4
193.15936	1.6
195.11742	4.0
197.13260	7.5
199.13182	2.7
199.14836	16.0
201.12834	2.6
201.16391	15.9
203.14331	7.6
203.17978	7.3
205.12685	1.3
205.15944	13.1
207.17451	2.5
209.13307	2.7
211.14914	6.1
213.16437	8.8
215.14491	1.9
215.18016	6.9
217.16020	5.7
217.19565	3.1
219.17638	4.8
221.13351	1.5
223.14963	3.7
225.16475	6.2
227.18056	5.3
229.15790	2.9
229.19554	3.5
231.17511	2.5
231.80692	1.5
235.14835	2.5
237.16574	3.3
239.18054	6.1
241.15988	2.7
241.19530	12.0
243.17522	3.8
243.21268	5.4
245.19046	2.0
251.18100	3.8
253.19585	5.0
255.17531	3.0
255.21114	11.5
257.19156	4.2
257.22919	1.6
259.20758	3.3
261.22302	2.8
265.19565	2.0
267.21161	2.2
269.19308	2.4
271.20767	4.7
273.18524	1.7
273.22324	5.3
279.21017	2.8
283.20679	1.8
285.22385	2.2
287.20291	2.9
293.22763	2.4
295.24356	1.7
297.22449	2.4
299.24054	2.1
305.22754	3.0
309.22195	1.5
311.23923	2.8
319.24445	1.6
321.25986	5.8
323.23859	4.0
325.25455	2.3
337.25323	2.1
339.26868	10.2
341.25070	2.2
375.30426	9.0
381.31534	2.6
393.27716	1.7
393.31631	45.6
394.32086	2.0
411.32861	100.0
412.33289	3.2
434.96841	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3258
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
51.34721	3.8
55.05507	18.1
57.07079	10.3
59.04977	3.9
67.05513	25.9
69.07062	18.2
69.22929	40.1
72.08158	5.5
79.05490	22.7
81.07060	60.5
83.08625	11.7
85.06528	4.2
86.09715	7.4
88.84862	3.9
91.05463	23.9
93.07043	53.2
95.04936	5.3
95.08614	98.9
97.06568	4.7
97.10164	5.9
98.21564	9.5
99.04476	9.1
99.08083	5.8
103.69556	4.0
105.07040	49.6
107.08596	77.6
109.06528	8.6
109.10165	53.9
111.08087	7.3
117.07016	5.5
119.07817	6.5
119.08593	66.8
121.06464	8.6
121.10155	75.0
122.62146	4.3
123.08073	8.3
123.11676	23.8
131.08571	12.1
133.10130	84.8
135.11678	36.6
137.09628	17.7
137.13274	8.3
142.07809	5.2
143.08568	9.7
145.10124	22.5
147.11678	33.1
149.09631	17.1
149.13243	37.3
151.07539	5.2
151.11194	23.8
151.14783	5.5
157.10124	9.2
159.11713	24.3
161.09621	6.3
161.13264	17.4
163.11172	8.3
163.14864	21.5
165.16400	4.9
171.11710	7.6
173.13277	14.5
175.14821	57.2
177.16408	56.3
179.14333	4.2
185.13278	10.0
187.14861	25.8
189.16394	63.9
191.17918	23.6
193.15862	10.3
193.35040	4.4
199.14847	7.3
201.16393	13.2
203.14348	10.9
203.17941	11.2
213.16458	5.8
215.17924	6.5
221.15430	31.4
229.15958	4.3
229.19614	4.3
241.19470	4.5
243.21274	5.5
261.18466	7.2
283.24222	6.6
287.20148	6.3
297.22211	4.7
313.96866	4.4
315.23102	20.1
337.28815	14.7
341.24835	8.0
353.67688	3.8
393.31671	13.4
411.32440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.05512	14.2
57.07081	3.6
59.05013	1.4
67.05506	19.9
68.09505	1.4
69.03439	4.1
69.07069	14.9
70.79169	4.6
71.08612	1.6
79.05062	2.6
79.05492	19.0
81.03439	1.9
81.07066	32.9
83.04987	3.7
83.08600	7.9
85.06551	4.2
91.05489	19.5
93.07047	33.0
95.04980	4.3
95.08616	42.4
96.31976	1.2
97.06588	1.9
97.10175	2.6
99.08086	12.2
105.07040	39.7
107.08598	45.9
109.06530	7.5
109.10161	35.2
109.10842	2.1
111.08101	3.1
117.07003	8.7
119.08586	59.3
121.06535	6.3
121.10154	40.2
123.08122	5.5
123.11732	17.1
125.09682	2.9
128.06250	2.8
129.07042	5.7
131.08571	26.2
133.10139	39.0
133.11093	2.3
135.08058	7.3
135.11697	22.3
137.09627	10.1
137.13324	4.7
139.11203	2.3
142.07747	3.3
143.08571	12.8
144.09277	2.3
145.10139	30.7
147.08060	10.9
147.11691	24.8
149.09673	6.3
149.13264	13.0
151.11189	7.7
155.08684	2.7
156.09407	4.1
157.10138	19.2
157.11317	1.7
158.10997	3.8
159.11700	28.1
159.12872	2.6
161.09633	19.3
161.10820	2.0
161.13268	16.0
163.11194	7.5
163.14844	10.0
169.10176	7.0
170.10927	4.2
171.11682	24.1
171.12973	1.9
172.12502	1.9
173.09651	5.5
173.13284	25.6
173.43356	1.4
175.11205	7.0
175.14845	15.0
177.12749	7.2
177.16496	4.8
181.10211	2.2
183.11711	8.6
185.13275	25.7
187.11305	4.6
187.14836	30.3
189.12766	10.0
189.16408	13.5
189.17761	1.4
191.10724	2.5
191.14395	6.3
193.10176	1.8
195.11755	3.8
197.13351	4.7
199.14864	11.8
201.12880	2.8
201.16406	17.6
203.14400	6.1
203.17964	6.9
205.15912	7.6
207.11732	3.0
209.13370	4.2
211.14932	5.9
213.16386	8.5
215.14444	4.5
215.18063	5.7
217.15984	4.3
219.17416	2.3
223.14973	4.3
225.16481	5.2
227.18042	5.1
229.15894	2.3
229.19563	3.1
231.17621	4.4
237.16490	3.6
239.18044	7.0
241.19521	17.0
243.17549	3.3
243.21063	8.1
251.18259	2.2
253.19650	5.4
255.17439	1.7
255.18573	1.9
255.21150	18.5
256.22064	1.9
257.19128	3.3
257.22702	1.6
259.20685	2.8
260.55728	1.6
261.22272	2.5
267.21182	2.0
269.18948	2.3
271.20584	2.8
273.22217	7.9
277.19748	1.7
279.21338	2.4
295.24396	2.3
297.22281	3.2
300.56876	1.7
305.22540	2.1
309.25735	1.6
321.25961	3.8
323.23947	4.1
325.25189	2.5
337.25488	3.3
337.29086	1.9
339.26801	7.8
375.30630	8.8
381.31894	3.4
393.27084	2.4
393.31653	44.5
394.31860	2.7
411.32816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2894
Annotation	Sinensiaxanthin
Peak:m/z	Relative Intensity
53.03937	2.3
55.05264	1.4
55.05512	10.9
55.12992	1.1
57.07068	1.4
65.03928	1.8
67.05510	13.3
69.03421	1.9
69.07080	13.6
69.89395	1.3
71.04987	1.3
71.50010	2.3
79.05494	15.5
81.03424	1.2
81.07064	36.2
83.04966	2.1
83.08591	4.2
90.05998	1.5
91.05489	18.0
93.07047	44.0
95.04961	2.7
95.08607	29.9
97.06503	2.5
97.10182	1.2
99.04392	1.3
99.08073	2.7
103.05469	1.2
105.07040	65.1
107.08601	43.7
107.71504	1.1
109.06496	2.7
109.10157	14.4
110.23489	1.2
110.64539	1.1
111.08038	2.1
117.07011	7.2
119.08591	52.2
121.06468	2.0
121.10143	24.5
123.08000	2.3
123.11669	4.8
129.06982	3.8
130.07761	1.7
131.08569	19.9
133.06438	1.7
133.09145	1.6
133.10139	28.4
135.08017	3.8
135.10875	1.3
135.11705	15.5
137.09618	2.4
137.13239	1.1
139.07620	1.3
142.07776	1.8
143.08565	10.0
144.09319	2.8
145.10133	19.7
147.08037	1.7
147.11707	28.3
149.09610	1.4
149.13271	57.5
151.07472	1.2
151.11166	1.2
153.09068	3.2
155.08524	2.7
156.09286	1.6
157.10133	12.4
159.08023	1.4
159.10504	2.1
159.11713	34.1
161.09581	4.4
161.13268	100.0
163.11172	3.3
163.14806	8.8
165.12749	9.4
167.10635	2.0
168.09271	1.4
169.10085	4.4
170.10751	1.4
171.11662	8.6
173.09671	1.6
173.13286	16.1
175.11153	2.2
175.14839	24.6
177.12686	3.6
177.16356	2.4
179.14201	1.5
183.11755	5.7
185.13243	11.6
187.11125	2.0
187.14810	10.9
189.12732	1.9
189.16324	4.2
191.14246	3.8
193.12115	1.2
195.11694	2.2
197.13219	5.8
199.14832	8.2
201.12689	2.9
201.16360	16.7
203.14304	4.1
203.17940	2.4
205.15854	5.7
209.13257	3.0
211.14845	3.8
213.16338	3.9
215.14287	2.7
215.17989	1.4
217.15849	5.5
219.13757	2.0
219.17374	7.1
221.13261	2.7
221.15363	1.7
223.14796	2.2
223.84317	1.2
225.16373	2.3
227.17915	4.5
229.15866	2.3
231.17400	1.6
237.16258	2.2
239.17941	2.4
241.19434	3.4
245.15468	1.8
247.16901	4.9
249.14845	9.2
251.18114	2.3
253.19421	2.8
261.14825	11.9
263.16357	3.9
269.18939	1.6
275.16422	1.7
319.23883	1.3
323.23639	1.5
347.27393	8.5
365.28387	11.6
375.30731	1.4
383.29303	2.4
393.27472	14.9
393.31683	3.1
411.28729	83.7
412.29260	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.7
56.05851	2.3
57.07066	5.0
59.05003	1.8
66.59432	2.1
67.05511	14.0
69.07062	13.6
70.07403	2.6
71.23912	2.9
75.48066	2.1
79.05497	8.0
81.07063	23.3
82.07376	4.5
82.13869	1.8
83.08628	5.3
84.14581	1.8
91.05479	12.3
92.34399	2.2
93.07046	24.2
93.23092	1.9
94.07372	4.5
95.04976	2.8
95.08608	33.6
96.08941	6.6
97.10173	6.1
105.07038	23.9
106.07371	6.5
107.08601	39.2
108.08931	9.8
109.10162	18.3
110.10520	7.6
117.07023	3.9
119.08599	24.8
120.08873	12.2
121.10148	27.5
122.10490	10.5
123.11725	9.7
128.78249	1.8
129.06998	2.2
131.08588	9.8
132.08939	5.0
133.10104	19.8
134.10474	6.9
135.11690	16.0
136.12050	7.8
136.82678	2.2
143.08566	7.6
144.08931	4.8
145.10136	17.3
146.10495	8.1
147.11720	15.0
148.12035	5.7
149.12248	2.0
149.13249	12.4
150.13635	6.2
155.08681	1.9
157.10167	11.6
158.10567	6.0
159.11697	16.6
160.11995	10.3
161.13252	9.3
162.13652	3.9
163.14792	11.7
164.15248	7.7
170.10680	2.1
171.11688	8.4
172.12117	6.3
173.13237	10.6
174.13725	6.1
175.14819	6.1
176.15178	4.4
177.16434	5.3
179.14392	2.7
182.16315	4.3
183.11742	4.1
184.12125	3.3
185.13290	7.3
186.13608	7.8
187.14825	15.0
188.15199	12.0
189.16318	15.4
190.16742	10.8
197.13339	4.2
198.13777	2.5
199.14793	6.0
200.15211	5.4
201.16422	9.9
202.16759	12.2
203.18015	3.6
204.18385	6.7
207.17557	3.2
211.14885	2.8
212.15486	3.6
213.16327	6.4
214.16777	6.0
215.17941	6.8
216.18356	8.1
226.16975	2.8
227.17816	4.7
228.18381	5.5
229.19580	5.9
230.19925	8.4
241.19505	22.2
242.19870	40.9
242.22247	3.3
244.21487	3.0
253.19720	2.5
254.19914	3.3
255.21078	4.5
256.21487	10.3
268.21481	4.1
270.23077	4.0
296.24594	2.9
322.26285	2.4
392.29376	3.6
392.33920	21.2
410.35117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03945	2.7
55.05515	20.1
55.51019	1.6
57.07063	6.9
66.48009	1.7
67.05511	25.1
69.07074	46.5
69.49361	13.2
71.08625	3.2
79.05496	10.6
81.07058	61.4
83.08620	17.0
91.05481	7.9
93.07043	25.6
95.08615	61.1
97.10155	11.2
98.21526	3.5
105.07043	21.6
107.08603	42.4
109.10162	41.8
111.11716	8.8
116.88616	2.0
119.08594	26.7
121.10154	33.1
123.11710	28.5
126.37524	1.9
131.08569	7.6
133.10141	23.8
135.11691	22.5
137.13286	15.7
145.10173	15.8
147.11711	18.5
149.13260	13.9
156.23645	1.8
157.10184	6.1
159.11707	21.9
161.13237	16.0
163.14859	10.8
171.11618	2.9
173.13269	15.7
175.14856	11.8
177.16406	9.7
185.13324	3.9
187.14795	12.6
189.16432	8.3
191.17947	8.2
199.14870	3.9
201.16414	8.0
203.10754	1.9
203.17957	12.5
205.19543	4.5
213.16414	3.3
215.18004	8.0
217.19528	6.5
227.18008	2.4
229.19559	7.0
231.21141	5.4
231.42365	1.8
243.21257	3.3
245.22694	2.7
257.22675	7.4
259.24252	4.8
271.24197	6.0
285.25812	5.3
297.25607	2.3
299.27414	5.4
313.28949	2.3
325.29025	4.5
327.30478	7.9
339.30533	3.8
353.32016	7.9
353.37131	2.2
356.98694	2.2
367.33749	3.6
409.38318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75809	2.4
52.77364	2.5
55.05517	13.8
57.07082	5.5
66.91199	2.3
67.05507	22.9
69.07063	18.8
69.56400	14.6
78.90233	2.3
79.05502	22.1
81.07060	41.6
83.08650	11.6
85.06551	2.8
91.05468	25.8
93.07051	42.9
95.08612	71.5
97.10207	3.8
98.21531	4.6
99.08127	8.3
105.07037	39.0
106.07426	3.4
107.08601	71.1
107.09297	4.3
108.08962	4.6
109.10164	40.0
109.10855	3.2
111.11781	3.3
117.07071	7.6
119.08587	69.0
120.08916	3.3
121.10143	49.7
121.42610	2.4
123.11711	14.8
129.07028	5.7
131.08582	23.0
132.09012	2.6
133.10139	50.0
134.10529	3.4
135.08121	7.1
135.11707	26.6
137.13316	4.2
141.07094	2.5
143.08546	12.5
144.09448	7.6
145.10129	58.7
147.11700	29.7
147.12788	2.5
149.13260	20.6
153.71524	2.7
155.08534	2.8
157.10136	16.0
158.10898	5.4
159.11703	85.0
161.13292	20.1
163.11243	3.5
163.14832	18.0
169.10220	5.2
171.11667	13.9
173.13264	30.4
175.11339	3.5
175.14870	20.4
177.12851	5.1
177.16406	19.8
183.11803	6.3
185.13336	12.1
187.14822	42.9
188.15269	3.2
189.16440	23.1
191.14371	3.4
191.18091	8.5
195.11928	2.5
197.13361	4.9
199.14908	8.5
201.16388	29.7
202.16895	4.0
203.17960	49.5
205.15891	25.4
205.19792	3.3
211.14952	5.5
213.16489	11.7
215.18062	11.3
217.15930	4.6
217.19797	4.2
227.18182	5.7
229.19673	5.1
231.17581	3.7
239.18086	4.4
243.17671	2.6
243.21304	3.4
253.19638	3.1
257.23093	2.8
261.67844	2.5
267.21127	2.9
269.22739	3.3
305.53049	2.7
331.91565	2.5
339.27029	4.3
391.29968	5.1
391.34229	5.7
409.09290	3.2
409.26270	5.9
409.34879	100.0
410.35339	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	409.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
54.18868	1.6
55.05509	15.6
57.07066	4.4
65.03927	2.3
67.05515	21.3
67.42687	1.9
69.06728	2.6
69.07077	29.5
70.75230	2.6
70.75569	4.1
79.05497	22.9
81.06601	3.2
81.07069	50.9
81.68053	1.9
83.04993	1.8
83.08621	11.6
84.73637	2.1
88.46867	1.6
91.05491	23.5
93.07054	47.2
95.08616	85.8
97.10162	6.2
99.08111	5.1
103.05476	2.2
105.07042	44.3
106.07325	2.2
107.08604	83.9
109.10170	47.1
111.08125	2.8
117.07034	8.0
118.03438	1.8
119.08595	52.9
120.08872	1.7
121.06493	2.9
121.10157	66.7
123.08081	2.0
123.11727	14.0
131.08580	13.7
133.10150	46.0
135.08081	11.3
135.11705	33.9
136.12085	2.3
137.09662	2.3
137.13249	4.4
139.11160	3.5
142.07764	2.5
143.08559	7.1
144.09344	2.6
145.10118	29.8
147.08051	2.0
147.11708	32.4
149.09590	2.5
149.13269	40.0
151.11241	2.5
154.48918	1.9
157.10124	8.1
159.11717	23.7
161.09587	2.2
161.13283	21.2
163.11169	8.9
163.14824	27.4
165.12790	3.0
169.10141	6.0
171.11687	9.8
173.13271	17.5
175.11227	5.1
175.14851	26.8
177.12820	5.0
177.16409	47.9
178.16718	2.6
181.10037	2.6
183.11726	8.7
185.13295	8.3
187.14845	26.5
189.12769	2.5
189.16408	23.2
191.14348	2.2
191.17960	13.0
197.13261	5.4
199.14767	6.4
201.16417	13.4
203.14377	6.6
203.17969	100.0
204.18430	2.6
205.15895	67.7
205.19426	3.1
211.14876	3.4
213.16426	6.1
215.17970	8.8
217.19630	2.3
219.17505	6.7
227.17973	3.4
229.19365	2.4
231.17499	5.7
233.18985	2.2
239.17915	2.5
241.19673	3.1
253.19437	3.3
255.21181	3.9
257.04352	2.4
267.20923	2.5
269.19238	2.5
295.24344	2.0
311.23618	2.0
363.30295	2.0
381.34970	2.6
391.29486	4.0
391.33524	6.8
409.35043	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.6
57.07066	4.5
65.03947	1.7
67.05182	2.7
67.05509	29.1
69.07073	19.5
70.71236	3.5
70.71575	2.9
79.05499	29.4
81.07062	37.9
83.04965	2.5
83.08620	11.0
83.84201	1.6
85.06541	2.5
91.05492	15.7
93.06496	2.8
93.07055	46.8
95.04958	1.9
95.08615	83.9
97.10178	4.9
99.08112	4.2
105.07036	40.5
107.08602	100.0
109.10165	45.1
117.07006	6.3
119.06046	1.9
119.08601	48.3
121.06522	3.2
121.10154	57.2
123.08058	2.8
123.11709	12.2
129.07011	2.7
131.08585	16.2
132.08780	2.0
133.10130	41.3
135.08087	10.6
135.11702	29.1
137.09590	4.6
137.13301	2.7
142.07863	1.6
143.08572	6.8
145.10133	38.5
147.11708	26.0
149.09653	3.6
149.13280	27.6
155.08614	2.9
157.10127	12.0
159.11710	21.6
161.09610	4.1
161.13280	16.1
163.11198	14.2
163.14828	20.1
169.10136	4.4
171.11684	8.9
173.13301	15.2
175.11160	4.9
175.14853	31.4
177.12761	3.8
177.16402	38.9
183.11691	5.4
185.13234	8.8
187.14832	29.7
189.12813	2.3
189.16389	18.6
191.18004	10.4
195.11731	1.7
197.13182	2.7
199.14835	6.3
201.12776	1.8
201.16405	16.5
203.14351	5.4
203.17961	51.0
205.15895	82.3
211.14896	2.9
213.16353	6.0
215.14502	2.5
215.17970	5.9
217.15903	3.7
217.19505	3.3
219.17332	7.9
225.16399	2.1
227.18057	4.4
229.15887	2.3
229.19557	5.4
231.17610	3.8
233.19098	2.3
239.17923	3.7
241.19456	2.4
245.19182	1.6
253.19571	4.3
255.21071	2.6
271.20486	2.4
281.22583	2.2
285.25784	7.0
295.24249	15.6
313.25296	14.2
321.25940	1.8
339.26944	4.2
376.49005	1.7
381.35217	2.0
391.33868	4.6
409.30496	14.3
409.35269	56.1
410.35208	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	409.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83481	1.4
53.03945	2.9
55.05523	10.7
57.07067	4.0
65.03953	2.1
67.05512	19.4
68.09468	1.4
69.07075	18.6
70.66681	3.8
71.08627	1.3
79.05507	15.6
81.07065	34.4
83.08636	7.2
85.06578	1.7
91.05479	17.6
93.07053	33.4
95.04978	2.6
95.08617	64.4
97.10185	4.6
99.08077	2.9
103.05457	1.8
105.07042	31.7
105.07704	3.0
107.08604	59.2
109.10168	33.8
110.10535	1.7
111.08060	2.4
117.07008	9.4
119.08588	55.4
120.08960	3.0
121.10150	49.2
122.10553	1.4
123.11694	11.9
125.09716	1.3
129.06996	4.6
130.07809	3.5
131.08600	15.9
133.10139	39.1
135.08076	8.2
135.11691	22.0
137.13326	2.7
143.08589	6.1
144.09375	8.1
145.10136	60.4
146.10704	1.7
147.11713	23.3
149.13277	16.2
151.14833	1.9
155.08488	1.4
157.10133	8.4
158.10901	2.1
159.11703	100.0
160.12077	2.3
161.09589	1.6
161.13287	14.7
163.11209	2.2
163.14839	18.5
169.10226	2.6
171.11693	8.8
172.12384	1.8
173.13272	25.1
173.14685	1.7
175.11272	4.2
175.14850	19.1
177.12820	1.8
177.16396	20.8
181.10143	1.7
183.11743	4.4
185.13322	6.5
187.14832	37.6
187.16472	2.1
188.15302	2.5
189.16409	19.5
191.14328	2.1
191.17944	7.5
195.11737	2.5
197.13326	3.3
199.14838	6.9
201.16412	22.2
202.16711	2.0
202.25380	1.4
203.14578	2.2
203.18001	41.5
205.15894	26.7
205.17642	2.6
205.19556	2.4
211.14934	2.9
213.16389	11.8
214.16693	1.6
215.17940	8.7
217.19557	2.6
219.17488	1.6
223.14877	2.0
225.16489	2.0
227.18051	3.5
229.19632	5.2
231.17476	2.6
239.18199	1.5
241.19769	2.2
243.17308	1.8
243.21043	1.6
255.21034	2.1
267.21100	2.9
269.22803	1.6
295.24234	2.7
299.76019	1.3
381.35583	2.7
391.33685	4.9
409.34796	83.9
410.35190	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.05519	8.4
57.07064	3.5
58.53154	1.2
67.05508	22.1
68.57682	1.4
69.07077	15.0
70.68304	3.0
70.68682	2.9
79.05499	22.8
81.07064	31.0
83.08603	6.7
84.42748	1.3
91.05486	13.7
93.06503	2.0
93.07050	34.8
95.08613	77.2
97.10167	1.7
105.07035	19.9
107.08599	100.0
109.06514	1.9
109.10160	39.2
109.64138	1.3
117.07024	4.0
119.08593	27.3
121.06507	2.1
121.10150	47.0
123.11708	9.4
131.08568	6.7
133.10141	28.7
135.08029	4.6
135.11713	18.2
137.13258	1.8
142.07924	1.6
143.08559	3.8
145.10130	21.1
147.11702	16.8
149.09633	1.7
149.13266	22.3
157.10118	4.0
159.11690	12.6
161.13277	12.6
162.07834	1.4
162.10483	1.8
163.11208	13.3
163.14830	12.6
166.51530	1.4
171.11691	4.7
172.96873	1.5
173.13274	6.0
174.47699	1.5
175.11156	2.2
175.14838	24.2
177.12834	2.5
177.16402	38.0
183.11748	2.1
185.13297	3.7
187.14851	16.0
189.16440	13.2
191.17969	5.5
199.14890	3.3
201.16409	5.5
203.14307	3.1
203.17955	38.0
205.15894	77.8
213.16336	2.7
215.17978	4.9
217.19508	2.3
219.17474	6.2
229.19499	3.5
231.17467	3.9
231.21121	1.8
239.18036	2.2
241.19501	2.0
243.17662	1.7
243.20970	2.8
255.20992	2.9
283.24115	1.6
285.25836	11.6
295.24237	16.1
304.19421	1.7
313.25204	20.0
321.25809	1.9
339.26804	3.9
381.35068	1.9
391.33572	5.3
409.29797	3.0
409.34717	43.9
410.13504	1.6
410.34814	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75809	2.4
52.77364	2.5
55.05517	13.8
57.07082	5.5
66.91199	2.3
67.05507	22.9
69.07063	18.8
69.56400	14.6
78.90233	2.3
79.05502	22.1
81.07060	41.6
83.08650	11.6
85.06551	2.8
91.05468	25.8
93.07051	42.9
95.08612	71.5
97.10207	3.8
98.21531	4.6
99.08127	8.3
105.07037	39.0
106.07426	3.4
107.08601	71.1
107.09297	4.3
108.08962	4.6
109.10164	40.0
109.10855	3.2
111.11781	3.3
117.07071	7.6
119.08587	69.0
120.08916	3.3
121.10143	49.7
121.42610	2.4
123.11711	14.8
129.07028	5.7
131.08582	23.0
132.09012	2.6
133.10139	50.0
134.10529	3.4
135.08121	7.1
135.11707	26.6
137.13316	4.2
141.07094	2.5
143.08546	12.5
144.09448	7.6
145.10129	58.7
147.11700	29.7
147.12788	2.5
149.13260	20.6
153.71524	2.7
155.08534	2.8
157.10136	16.0
158.10898	5.4
159.11703	85.0
161.13292	20.1
163.11243	3.5
163.14832	18.0
169.10220	5.2
171.11667	13.9
173.13264	30.4
175.11339	3.5
175.14870	20.4
177.12851	5.1
177.16406	19.8
183.11803	6.3
185.13336	12.1
187.14822	42.9
188.15269	3.2
189.16440	23.1
191.14371	3.4
191.18091	8.5
195.11928	2.5
197.13361	4.9
199.14908	8.5
201.16388	29.7
202.16895	4.0
203.17960	49.5
205.15891	25.4
205.19792	3.3
211.14952	5.5
213.16489	11.7
215.18062	11.3
217.15930	4.6
217.19797	4.2
227.18182	5.7
229.19673	5.1
231.17581	3.7
239.18086	4.4
243.17671	2.6
243.21304	3.4
253.19638	3.1
257.23093	2.8
261.67844	2.5
267.21127	2.9
269.22739	3.3
305.53049	2.7
331.91565	2.5
339.27029	4.3
391.29968	5.1
391.34229	5.7
409.09290	3.2
409.26270	5.9
409.34879	100.0
410.35339	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
55.05508	10.3
56.87899	1.2
57.07082	2.1
61.06055	1.1
64.61681	1.1
65.03912	1.1
67.05508	21.3
69.07075	19.6
69.48118	7.5
79.05493	28.4
81.07056	26.2
83.08620	11.0
91.05479	15.2
93.07048	33.2
95.04970	2.0
95.08612	76.2
97.10171	2.4
97.38358	1.2
98.20692	1.1
105.07041	21.3
107.08598	100.0
109.10162	34.3
117.07012	5.4
118.95276	1.2
119.08589	34.6
121.06512	2.3
121.10146	57.5
123.11711	8.1
131.08589	6.5
132.81635	1.0
133.10136	29.5
135.08072	7.7
135.11691	21.0
137.13258	2.3
143.08589	4.6
145.10133	23.7
145.11177	2.1
147.11708	18.3
149.09673	2.6
149.13274	18.8
154.75011	1.1
155.08539	1.1
157.10144	3.4
158.10934	1.5
159.11729	10.1
161.09552	1.6
161.13266	14.4
163.11188	11.2
163.14819	13.2
171.11740	3.3
173.13283	8.2
175.11227	2.9
175.14815	26.8
177.12790	2.8
177.16391	43.9
185.13271	3.6
187.14809	17.4
189.12848	1.7
189.16409	16.4
191.14339	1.3
191.18004	8.5
197.04716	1.3
199.14951	1.6
201.16428	8.5
203.14375	3.7
203.17964	38.9
203.19754	2.5
205.15884	81.9
206.16289	1.5
211.14886	1.5
213.16475	2.4
215.18011	5.4
217.15858	1.8
217.19553	2.5
219.17545	3.8
227.17996	2.6
229.19597	2.4
231.17497	2.1
233.19046	1.9
239.18050	2.4
241.19627	1.7
245.19095	1.9
255.21129	3.3
283.24509	1.3
285.25641	8.4
295.24225	15.8
304.00186	1.2
313.25226	14.3
339.27005	3.6
391.33704	3.3
409.34818	45.3
410.35565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16169	1.4
55.05500	8.5
57.07072	3.6
67.05507	14.4
69.07078	18.2
75.77938	1.2
79.05499	10.7
81.07059	35.1
82.07408	2.8
83.08633	7.3
88.24304	1.4
91.05499	13.6
93.07052	31.7
95.08611	48.5
96.08952	2.1
97.10181	3.5
99.08099	2.3
102.87566	1.4
105.07040	27.5
107.08601	52.0
109.10169	23.5
110.10513	1.6
111.08091	1.6
117.07047	5.2
119.08586	38.6
120.08916	2.5
121.09346	2.6
121.10152	27.6
123.11724	11.2
128.06203	1.5
129.06987	3.6
131.08568	21.6
132.08957	3.0
133.10143	26.8
135.11713	22.0
137.13286	4.7
141.07031	1.6
143.08574	11.6
145.10126	24.8
146.10506	2.5
147.11719	21.3
149.13275	25.4
155.08510	2.9
156.09349	1.9
157.10126	13.5
158.10588	2.9
159.11703	22.1
160.12013	2.8
161.13293	16.8
163.14833	32.5
164.15240	2.0
165.12784	1.7
165.16380	2.1
169.10147	4.1
171.11742	10.7
172.12386	1.8
173.13321	12.9
174.13644	3.3
175.14882	9.9
177.16399	15.0
179.14311	4.1
183.11751	5.5
184.12401	2.1
185.13269	13.5
186.13892	1.7
187.14821	26.4
188.15187	4.6
189.16422	23.2
191.14360	4.6
191.17973	6.1
197.13292	6.4
199.14870	9.7
201.16411	20.3
202.16769	2.8
203.18030	11.9
205.16023	3.5
207.17467	5.2
209.13197	2.1
211.14891	5.5
212.15598	4.1
213.16370	11.8
214.16924	2.6
215.17949	15.2
217.19649	3.2
219.17667	2.4
225.16472	4.3
226.17053	2.5
227.17894	7.5
229.19513	14.0
239.17986	4.3
241.19533	53.1
242.20261	2.3
243.21159	6.5
253.19589	7.1
255.21117	17.7
257.22693	12.5
259.20709	2.1
267.21103	6.5
269.22668	19.3
285.22260	5.9
295.24023	1.8
373.34985	1.7
391.33701	19.8
409.34714	100.0
410.35147	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31502	1.7
52.76329	1.8
53.03959	2.3
53.45227	1.6
55.05516	10.1
57.07069	5.6
67.05510	15.8
69.07073	20.1
69.85426	10.1
71.08654	2.4
77.30672	1.9
79.05496	16.3
81.07057	35.3
83.08625	8.4
91.05490	16.6
93.07049	36.4
95.04973	4.1
95.08614	54.3
97.06570	2.0
97.10164	2.8
100.42463	1.7
104.28807	1.9
105.07044	26.9
107.08598	52.1
109.06541	2.4
109.10173	27.4
111.08109	2.3
111.11720	1.9
117.07047	5.3
119.07804	3.4
119.08590	36.3
121.10138	37.7
123.08083	2.3
123.11707	21.4
129.06985	3.5
131.08556	15.9
133.10146	27.1
135.08064	2.8
135.11691	30.4
137.13271	5.4
142.07787	2.2
143.08556	9.9
145.10133	21.4
147.11685	17.1
149.13260	50.9
151.14902	2.2
153.12798	4.1
155.08704	2.0
157.10086	13.1
159.11708	19.4
161.13304	8.0
163.14825	29.9
165.12836	4.9
171.11717	9.8
173.13266	11.3
175.11201	3.6
175.14827	28.1
177.16411	15.9
183.11711	4.1
185.13289	7.0
187.14865	16.1
189.16365	14.8
191.17979	7.7
193.15883	2.8
197.13319	2.9
199.14835	6.0
201.16470	12.0
202.16736	2.3
203.14400	3.7
203.17946	18.2
205.15904	9.0
211.14996	2.2
213.16388	18.9
215.17976	26.7
217.15840	1.9
217.19566	3.7
219.17455	4.4
221.15442	4.1
225.16443	4.3
227.17871	11.3
229.19579	7.6
239.17998	3.2
241.19479	16.5
243.21063	12.4
253.19440	4.2
255.21133	23.2
257.22775	3.1
259.20663	2.8
267.21152	5.5
269.22714	4.8
281.22513	2.6
348.28433	2.3
391.33737	11.0
409.13071	10.0
409.34738	100.0
410.13797	2.2
410.34973	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.05517	14.5
57.07079	6.3
61.68607	2.1
67.05515	15.6
69.07079	18.1
71.08596	2.4
79.05508	13.2
81.07061	38.3
83.08633	10.9
85.92916	2.3
90.36597	2.2
91.05489	12.5
93.07053	31.9
95.08611	54.6
95.09188	3.6
97.06525	2.6
97.10194	6.0
98.21564	4.1
99.08093	6.1
99.18769	2.2
105.07043	25.3
107.08597	40.9
109.10172	24.2
111.08104	2.2
113.00050	6.1
113.09641	3.1
115.00481	4.1
117.07048	5.8
119.08592	34.5
121.10149	29.1
123.11703	15.7
128.06207	2.4
129.07021	4.3
131.08588	19.0
133.10147	21.8
135.11711	22.4
137.13298	9.3
139.11195	14.1
143.08589	12.2
145.10123	30.9
147.11684	20.8
149.09659	2.4
149.13234	13.3
151.14838	3.6
155.08624	7.8
156.09384	2.6
157.10133	12.0
159.11707	21.2
161.13298	9.3
163.14827	15.4
169.02615	4.9
169.10121	13.0
170.02991	4.3
170.10895	2.1
171.03030	4.1
171.11699	18.5
173.13290	14.2
175.14870	9.4
177.16441	5.8
181.10164	3.9
183.11697	12.3
185.13269	14.4
187.14851	18.1
189.16379	12.1
191.18086	5.0
195.11777	3.7
197.13342	8.9
199.14790	11.3
201.16394	19.5
203.14334	2.0
203.18037	8.4
205.15935	2.6
209.13306	4.0
211.14909	5.1
213.16475	6.0
215.17978	12.4
217.19579	3.1
219.17365	2.3
225.16457	6.3
227.17960	5.7
229.19495	11.0
239.17987	3.5
241.19591	8.5
243.21167	5.7
253.19592	7.5
255.21237	6.4
257.18756	2.8
259.20715	3.8
265.19470	3.2
267.21191	6.9
269.22708	5.3
271.20667	3.5
273.22153	4.3
279.21323	3.0
295.24429	2.6
307.24319	4.2
321.25961	4.3
353.28006	2.1
366.29370	3.8
376.47247	2.2
391.33658	12.9
409.34796	100.0
410.34882	4.1
410.85355	1.9
414.83783	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48180	1.4
53.03943	1.8
55.05505	10.0
57.07078	3.8
64.60155	1.5
67.05509	21.5
69.07073	23.4
69.38074	6.0
69.38513	5.4
79.05489	16.5
80.33828	1.6
81.07063	42.7
83.08623	11.2
91.05479	18.0
93.07047	45.3
95.08615	73.3
97.10196	4.8
98.21558	3.0
105.07037	36.9
107.08600	70.5
109.10161	41.4
110.24157	1.4
117.07017	5.2
119.08588	37.9
121.10146	67.2
122.10500	1.7
123.11700	11.5
129.07063	1.9
130.07762	2.0
131.08601	11.8
133.10147	40.0
135.08058	11.8
135.11681	25.5
137.13275	2.6
143.08575	5.9
145.10135	20.6
147.11694	24.0
149.09583	1.6
149.13261	45.1
149.14380	2.7
151.14827	2.6
157.10170	6.1
159.11697	15.1
161.09552	2.0
161.13254	14.3
163.11212	12.3
163.14836	28.6
165.12807	2.3
169.10202	1.6
170.10989	1.7
171.11746	2.9
172.12540	2.0
173.13303	9.6
175.11244	5.9
175.14833	27.9
175.16269	2.1
177.12796	4.3
177.16406	48.9
179.14412	2.3
183.11671	1.8
185.13382	2.5
187.14822	23.2
189.16399	17.5
191.17926	13.3
199.14876	2.7
201.16403	12.0
203.14653	4.1
203.17966	100.0
204.18245	2.9
205.15883	73.5
205.19604	4.5
206.16328	2.0
213.16440	4.8
215.18002	6.3
217.16054	1.7
217.19594	4.0
217.42331	1.7
219.17473	5.5
227.18066	3.9
229.19569	3.9
231.17445	7.9
231.21175	1.9
241.19545	3.2
243.21233	3.3
245.19016	2.6
255.21262	4.5
267.21048	2.1
269.22372	1.4
346.39676	1.9
381.35550	2.7
391.33655	9.2
409.34790	84.7
410.35114	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07676	1.5
50.31804	1.4
52.40508	1.4
53.02950	1.6
53.03939	2.5
53.89980	1.6
55.05521	9.4
55.05732	1.5
57.07084	4.1
57.82506	1.3
62.82658	1.4
67.05512	13.8
69.07081	16.8
69.85614	9.2
79.05499	11.0
81.07066	30.0
83.08620	4.8
85.06533	1.8
91.05470	10.7
93.07056	24.1
95.04965	3.3
95.08612	40.8
95.09184	2.7
97.10196	5.0
105.07048	25.3
107.08601	40.1
109.06526	2.1
109.10176	23.3
111.11747	2.0
117.07043	4.4
119.08598	35.7
119.09393	3.3
121.10166	24.9
123.11695	8.0
124.96816	1.6
129.07031	3.4
131.08611	13.3
132.89995	1.8
133.10136	25.7
135.11691	16.6
137.09679	2.0
137.13261	3.1
139.11263	3.1
142.07808	3.5
143.08549	10.1
144.09367	2.1
145.10143	23.8
147.11707	20.5
149.13271	13.7
153.12816	3.8
155.08577	2.9
156.09364	1.7
157.10155	9.6
159.11710	24.6
161.13255	12.5
163.14828	17.9
165.12753	2.2
169.10152	3.0
171.11699	12.4
173.13264	12.1
175.14839	12.1
177.09189	1.6
177.16425	8.3
181.15913	6.0
183.11806	4.8
185.13336	13.5
187.14873	21.9
189.16382	17.3
191.18007	5.2
197.13359	5.1
198.13992	1.8
199.14891	9.0
201.16418	18.1
203.17981	9.5
205.15950	5.1
211.14914	4.7
212.15663	6.0
213.16449	7.6
215.18016	14.1
217.19698	2.5
221.15453	4.1
225.16512	2.7
227.18002	11.0
228.18538	1.6
229.19566	9.4
238.41129	1.9
239.18068	3.7
241.19540	67.3
243.21147	4.7
253.19592	3.8
255.21094	12.5
257.22693	2.1
267.21161	3.4
269.22681	5.8
281.22836	2.7
283.24246	2.5
313.25543	1.8
349.29086	2.0
391.33658	18.0
409.34766	100.0
410.35117	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.05518	13.2
57.07074	3.7
58.17137	1.7
67.05506	21.9
69.07070	29.2
69.39184	10.3
69.39599	3.5
75.42722	1.4
79.05495	20.8
81.07061	48.8
83.08625	11.3
91.05489	20.3
93.07046	44.9
95.04964	2.1
95.08611	91.0
97.10165	5.1
98.20802	2.9
105.07033	38.6
105.07700	3.0
107.08597	81.3
109.06510	1.9
109.10162	46.2
111.08131	2.3
111.11747	2.2
117.07025	5.1
119.08581	49.1
120.30606	1.4
121.06501	2.4
121.10146	70.2
123.08131	2.5
123.11710	14.5
127.93571	1.4
129.07045	2.1
131.08583	14.5
133.10130	42.0
135.08086	4.7
135.11688	33.0
137.13268	4.4
141.06906	1.6
142.67462	1.4
143.08583	5.5
145.10132	25.7
147.11693	33.5
147.12816	2.4
149.09659	3.3
149.13272	47.7
151.14896	1.5
157.10135	8.2
159.11703	15.1
161.09615	2.5
161.13268	21.8
163.11176	14.0
163.14818	35.8
165.12796	2.1
169.10095	2.5
171.11754	4.7
173.13281	14.6
175.11269	2.4
175.14836	35.6
177.12843	4.1
177.16376	50.2
177.17836	2.9
183.11757	2.2
185.13287	3.6
187.14815	27.8
189.16396	24.9
191.14317	1.9
191.17924	10.8
197.13350	2.1
199.14828	5.4
201.16402	14.0
203.17960	91.3
204.18219	1.8
205.15880	61.6
205.19551	4.5
211.14865	2.2
213.16316	7.9
215.17961	9.7
217.15907	2.1
217.19591	5.2
219.17467	6.5
227.17990	4.9
229.19583	5.8
231.17537	6.7
231.21191	3.2
239.17943	2.4
241.19585	4.5
243.21152	4.4
245.19110	3.1
253.19467	2.5
255.21130	6.3
257.22702	2.4
267.21237	2.2
269.22675	3.5
295.24332	2.1
381.35132	2.8
391.33728	13.2
409.34760	100.0
410.35010	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05501	9.9
56.68349	1.4
57.07055	5.4
65.03950	1.6
65.04303	1.4
67.05508	19.6
67.16063	1.7
68.54396	1.4
69.03430	1.9
69.07072	18.2
69.22773	17.3
71.04979	1.9
75.20954	1.8
79.05489	17.6
81.06609	1.9
81.07063	36.9
83.04983	1.9
83.08605	8.8
91.05481	20.2
93.07052	41.5
95.05013	8.7
95.05540	1.7
95.08618	56.8
97.06564	1.5
97.10175	4.2
99.08125	2.0
104.22318	1.7
105.07040	38.9
107.08597	59.7
109.06506	3.7
109.10162	36.7
110.40715	1.6
111.08092	4.3
117.07034	7.1
119.08585	45.6
121.06509	4.1
121.10154	41.9
123.08081	3.1
123.11725	18.3
126.48434	1.6
128.06178	1.9
129.07016	4.7
131.08580	16.9
133.10143	32.1
135.08072	4.6
135.11700	24.2
137.13255	7.6
137.79852	1.5
139.11139	2.6
143.08553	11.2
144.09355	2.1
145.10144	22.8
147.11688	26.7
149.09694	2.8
149.13272	38.1
151.11316	1.8
151.14830	2.1
153.12697	2.3
155.08521	2.3
156.09421	2.5
157.10123	14.3
159.11705	21.1
161.09610	2.9
161.13263	11.3
163.11176	3.1
163.14828	16.0
165.09122	4.8
165.12807	1.9
169.10107	3.1
171.11693	10.8
173.13284	17.7
175.11160	4.9
175.14847	26.4
177.16414	18.3
183.11705	4.5
185.13290	11.2
187.11180	1.7
187.14806	11.9
189.16428	18.9
191.17964	6.3
193.15799	2.8
197.13222	3.6
199.14821	8.8
201.16396	14.5
203.14333	2.8
203.17950	17.4
205.15898	12.0
207.17410	3.0
211.14841	3.2
213.16312	9.6
214.17209	2.0
215.17960	24.7
217.15833	3.0
217.19525	3.8
219.17393	3.4
221.15408	6.9
225.16354	3.5
227.17946	6.5
229.19473	4.9
234.16185	2.4
239.17996	3.2
241.19478	9.3
243.21158	10.7
253.19540	3.3
255.21024	14.1
267.21143	5.2
269.22708	4.4
271.20535	2.0
283.24222	2.0
285.25659	2.4
295.24365	4.1
309.25842	3.1
313.25363	2.9
391.33670	10.4
409.34692	100.0
410.35129	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.5
57.07059	4.4
67.05509	11.7
69.07080	18.6
69.32549	22.7
69.32967	9.0
79.05492	8.7
81.07042	28.6
83.08641	6.2
89.06017	4.6
91.05472	11.4
93.07026	21.2
95.08616	38.7
95.55283	3.5
100.01927	3.9
105.07042	16.9
107.08592	31.7
109.10192	17.9
119.08596	21.4
121.10151	28.4
123.11729	11.4
131.08545	12.5
133.10159	21.6
135.11691	17.1
137.13240	9.4
143.08636	7.3
145.10112	15.9
147.11690	14.8
149.13242	48.7
153.12798	7.2
157.10103	7.2
159.11726	11.0
161.13280	6.8
163.14845	27.8
166.63127	4.0
171.11707	7.6
173.13261	12.2
175.14787	17.6
177.16460	6.2
185.13254	8.9
187.14864	12.6
189.16396	14.0
191.17902	4.0
199.14796	5.7
201.16414	11.4
203.17937	13.8
205.15955	3.6
213.16422	13.3
215.17982	23.1
227.17938	7.6
229.19551	4.0
241.19579	9.8
243.21188	13.9
255.21193	18.4
257.22684	5.0
267.21097	10.2
269.22687	8.0
285.22150	6.7
350.20889	4.3
391.33426	9.6
409.29749	6.0
409.34683	100.0
410.35107	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	409.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
54.27824	4.3
55.05518	26.3
57.07074	6.9
59.04998	5.7
61.51987	3.0
67.05505	35.9
69.03426	5.4
69.07073	31.8
69.68483	20.4
71.04984	6.5
79.05487	31.9
81.07064	66.5
83.04977	7.8
83.08629	20.5
85.06551	6.1
91.05496	35.9
91.25118	2.9
93.07053	60.9
95.04972	5.6
95.08619	100.0
97.10165	6.9
98.20826	5.6
99.04456	11.2
99.08086	19.8
105.07040	73.8
107.08605	88.3
109.02901	4.8
109.10170	59.3
110.10507	4.7
117.07018	13.9
119.08597	94.0
121.09332	5.3
121.10152	57.4
121.74159	3.3
123.11721	23.8
128.06207	5.0
129.07002	10.0
131.08591	58.9
133.10144	59.7
135.08046	8.0
135.11700	37.3
137.09628	5.5
137.13269	9.4
139.11197	9.3
140.17731	3.7
141.06932	4.3
142.07706	8.8
143.08586	31.8
143.10695	6.1
145.10150	58.8
147.08008	5.4
147.11694	66.1
149.09659	6.8
149.13281	32.0
151.11140	4.2
151.14754	3.9
155.08615	16.9
156.09390	5.6
157.10146	28.5
158.10846	5.0
159.08112	4.0
159.11717	61.4
161.09593	5.4
161.13258	25.0
163.03947	3.5
163.11217	4.7
163.14851	19.6
165.12703	5.0
169.10178	20.3
170.10925	4.4
171.11693	36.5
173.09721	4.0
173.13277	41.4
175.11148	4.0
175.14836	19.7
177.16409	12.4
181.10056	7.1
183.06419	3.6
183.11697	26.0
185.13309	26.7
187.11194	4.1
187.14842	37.3
189.12744	6.3
189.16393	26.7
191.14337	4.2
191.17955	9.1
193.10146	5.6
195.11734	10.2
195.17482	7.3
197.13237	22.4
198.13885	3.2
199.14854	28.1
201.12787	7.7
201.16432	37.9
203.14359	8.1
203.17958	15.1
205.15910	13.0
209.13373	6.4
211.14799	16.6
213.16521	22.2
213.64342	4.6
215.14226	3.8
215.17972	16.5
217.15892	4.0
217.19537	5.4
219.17476	4.9
223.14787	8.2
225.16396	10.2
226.17143	9.3
227.18002	12.2
229.19600	16.2
239.17940	10.9
241.19539	10.7
243.21075	3.9
245.18825	3.5
249.16281	4.1
251.18059	4.7
253.19554	5.6
255.21181	9.4
257.04507	10.1
257.19061	4.0
267.21243	5.8
269.22675	10.6
279.21091	4.4
281.22614	5.6
285.22021	4.6
307.23978	5.2
321.25674	5.0
325.25250	4.7
337.25095	5.8
337.28943	6.6
373.28992	4.1
391.25562	4.7
391.29800	14.9
391.33813	10.0
409.09158	4.4
409.26709	13.0
409.30441	19.8
409.35373	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	8.2
55.01865	20.6
55.05516	54.5
57.07080	69.7
67.05505	29.9
69.07076	100.0
69.27208	54.8
71.08633	52.9
71.64771	5.0
76.81579	5.6
79.05482	22.4
81.07066	75.9
83.08630	60.6
85.10173	22.9
86.09695	22.1
89.06006	8.9
91.05465	14.8
93.07050	38.8
95.08611	80.2
97.06536	10.0
97.10171	53.6
99.04402	6.3
101.04411	5.5
101.71989	5.6
105.07011	22.9
107.08611	42.2
109.02859	9.5
109.06524	10.9
109.10172	49.9
111.11717	30.2
117.07008	7.0
119.08578	28.7
121.06501	13.0
121.10151	34.8
123.08081	10.1
123.11710	25.6
125.02354	53.6
125.13246	10.7
127.03864	36.0
131.08563	23.4
133.10112	16.6
135.08037	13.2
135.11705	21.7
137.13274	16.0
139.07553	14.0
145.10085	19.0
147.11667	17.5
149.09624	11.8
149.13261	26.6
151.07668	6.2
157.10080	5.9
159.11697	16.8
161.13246	17.5
163.11217	5.9
163.14790	8.8
165.09097	7.2
169.08533	28.1
173.13344	12.1
175.14818	11.8
177.09135	33.7
177.16386	11.7
181.08580	9.4
183.10167	9.0
187.14728	13.3
189.16310	7.7
191.17952	15.5
195.10226	30.3
203.17957	13.2
205.12309	6.6
215.17886	6.1
253.18224	7.0
257.22919	7.9
265.18231	6.9
271.24243	7.4
279.19479	9.6
280.51306	6.1
345.31540	11.4
373.30972	42.2
391.32047	98.0
392.32269	8.8
402.34055	5.9
409.38345	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.05496	8.9
56.41164	2.1
57.07075	4.1
59.05003	2.0
65.03935	2.2
67.05514	17.0
69.03407	1.8
69.07072	10.9
69.60639	2.7
69.60980	15.2
79.05497	12.1
79.64309	2.2
81.06660	2.7
81.07066	26.4
83.04947	3.2
83.08608	6.9
85.06540	3.3
91.05493	20.5
93.07059	25.2
95.04965	2.7
95.08619	39.7
97.06543	2.6
97.10197	2.1
99.08101	11.4
105.07047	42.8
107.08595	47.2
108.08914	2.0
109.06510	2.7
109.10163	29.6
111.08077	3.7
117.07037	15.6
119.08598	52.1
121.10163	31.0
121.35440	2.0
123.08082	4.7
123.11725	10.7
125.09648	2.5
128.06212	5.1
129.06993	9.0
131.08594	28.6
133.10144	39.2
135.08046	3.0
135.11700	14.6
137.09605	7.0
137.13220	3.1
141.07030	3.9
142.07745	5.1
143.08563	22.8
144.09288	2.7
145.10123	33.6
147.08031	3.3
147.11728	24.3
149.13297	10.5
151.11220	4.8
155.08571	9.6
156.09341	5.2
157.10155	20.2
158.10934	4.6
159.11696	31.0
161.09608	5.5
161.13271	22.9
163.11208	3.4
163.14836	15.3
165.12813	4.3
169.10211	14.5
170.10876	6.0
171.11726	38.4
173.13249	32.0
175.11316	2.4
175.14781	11.2
177.12784	4.2
177.16460	10.6
179.14258	2.5
181.10196	5.3
183.11685	13.0
185.09755	2.3
185.13304	21.6
187.11183	3.8
187.14835	23.4
189.12767	5.7
189.16393	17.3
191.14319	4.3
191.18077	2.3
193.10100	2.2
195.11661	3.9
196.12593	2.2
197.13327	9.9
199.14828	10.6
201.12820	2.9
201.16388	29.6
203.14305	7.7
203.18034	11.2
205.15898	10.9
207.11801	2.7
207.17468	11.7
209.13193	5.2
211.14764	8.6
213.16339	10.1
215.14441	3.0
215.18045	4.7
217.15855	5.2
219.17506	3.1
221.13359	3.5
221.15474	2.6
223.14902	5.5
225.16362	13.5
227.18045	5.0
229.15839	2.8
235.14752	3.0
237.16461	6.0
239.17921	11.1
241.19475	4.5
247.17001	5.1
251.18117	2.9
253.19487	6.0
255.17493	3.4
257.18951	2.2
265.19604	3.2
267.21121	3.0
277.19553	3.7
283.20538	2.4
297.22659	2.2
319.24356	2.4
321.22241	2.2
335.23843	2.4
337.25208	4.9
363.26691	4.3
373.28946	5.1
379.29922	6.5
380.55276	2.7
391.29968	32.1
409.30988	100.0
410.31168	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
54.97501	2.1
55.05520	19.8
57.07061	7.9
67.05505	23.6
69.07078	24.5
70.05774	5.5
70.06118	2.8
71.08636	4.5
79.05499	19.0
81.07058	50.6
83.08622	19.7
88.14127	2.1
91.05487	20.3
93.07047	42.1
95.04937	4.0
95.08615	89.9
97.10172	6.0
99.08088	3.4
105.07037	43.7
107.07888	4.7
107.08599	70.6
109.10162	47.1
111.08052	2.3
111.11721	2.1
114.04234	2.2
117.07018	6.6
119.08594	65.8
121.10151	57.7
122.10508	3.2
123.11711	20.4
125.09638	5.2
128.06274	3.1
128.56497	2.2
129.06966	5.5
131.07739	2.6
131.08580	25.5
133.10143	42.3
135.08029	2.6
135.11707	33.8
137.13258	12.6
139.07532	2.9
141.07039	4.0
142.07829	3.7
143.08569	18.3
144.09369	3.3
145.09068	3.7
145.10129	49.2
147.11699	30.3
149.13258	27.0
151.14845	12.9
155.08559	4.9
156.09380	4.1
157.10123	19.0
159.08014	2.5
159.11728	32.3
161.09535	2.6
161.13255	21.5
163.07458	2.9
163.11256	2.8
163.14850	37.5
165.12607	2.2
165.16447	4.0
168.09322	2.2
169.10118	11.2
170.10901	2.1
171.11699	17.5
173.13289	23.8
175.14847	32.0
177.16399	18.9
181.10191	2.8
182.10880	2.4
183.11723	9.8
184.12448	3.0
185.13257	14.1
186.86911	2.1
187.14845	33.1
189.12886	2.9
189.16438	20.7
191.18065	3.8
193.15915	2.5
195.11700	6.2
197.13272	10.1
198.14142	2.2
199.14876	29.5
201.12718	2.6
201.16376	24.2
203.18021	14.5
205.15866	4.8
207.17351	2.6
209.13245	3.2
211.14813	7.7
213.16362	14.4
215.14407	3.1
215.17978	14.2
217.15950	2.4
217.19460	3.1
219.13823	2.8
223.14815	7.1
225.16434	7.4
227.17982	11.6
229.15929	3.0
229.19466	8.1
231.13947	2.5
233.15443	4.4
234.91479	2.4
237.16290	3.4
239.17923	5.8
241.19530	5.3
242.59250	2.2
243.21147	4.4
245.15344	13.4
251.18111	2.9
253.19463	2.9
255.21104	11.1
257.04407	2.5
257.15402	5.5
257.22586	7.5
259.16980	4.7
267.21106	7.0
269.22665	7.7
273.18317	2.2
279.21030	2.8
281.22659	4.5
283.24081	2.7
285.18594	5.1
285.22141	8.0
293.22586	4.5
307.24191	6.0
309.25534	2.7
313.21286	2.3
325.21564	5.2
337.25363	2.4
339.23132	4.4
353.24597	6.4
363.30588	22.9
381.31512	3.6
391.29773	6.6
391.33643	7.6
409.30899	100.0
409.34860	37.5
410.31396	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28317	1.4
52.54852	1.5
53.03959	3.7
55.05516	17.7
57.07078	6.9
59.04996	3.6
65.03931	2.7
66.87208	1.4
67.05512	22.5
69.03421	6.5
69.07079	10.9
69.24779	4.1
69.25184	10.6
71.05013	2.1
74.56973	1.4
79.05500	21.0
81.03414	2.4
81.07062	37.4
83.05003	2.4
83.08617	5.4
83.69973	1.5
85.06548	2.0
91.05485	43.9
91.89606	1.4
93.07052	46.9
94.24955	1.8
95.04974	34.9
95.08615	47.5
97.06533	6.5
97.10159	2.7
99.88696	1.6
103.05491	4.0
105.07040	100.0
106.08419	1.6
107.08604	41.1
109.06538	9.3
109.10160	22.0
111.08088	3.5
115.05463	3.0
117.07040	12.0
119.08588	74.9
121.06499	13.3
121.10146	26.0
123.08070	13.0
123.11713	10.1
125.06057	1.7
127.31117	1.6
128.06218	4.5
129.06996	9.2
130.07802	4.6
131.08572	25.1
133.06480	3.4
133.10139	28.8
135.08064	11.7
135.11699	14.9
137.09601	7.3
137.13293	3.4
141.06985	4.3
142.07770	9.2
143.08566	14.5
144.09286	2.3
145.06468	2.8
145.10133	39.6
146.10870	1.6
147.08052	11.3
147.11700	46.8
149.09631	10.0
149.13257	10.1
151.07568	12.6
153.09189	1.7
155.08540	7.0
156.09494	2.0
157.10141	15.0
158.10938	2.8
159.08006	3.7
159.11702	26.7
161.09616	6.8
161.13356	8.0
163.11159	3.4
163.14803	7.0
165.07033	2.1
165.09134	22.9
167.08527	3.7
168.09349	3.3
169.10121	8.1
170.10841	2.9
171.11673	10.9
172.12413	1.8
173.09650	3.7
173.13287	12.6
174.10402	2.0
175.11195	26.0
175.14838	9.9
177.09152	3.2
177.16385	7.0
181.10262	3.7
182.10979	2.0
183.11668	8.3
185.13312	9.1
186.10825	1.5
187.11182	2.9
187.14847	13.4
189.12764	5.1
189.16408	6.7
191.14293	2.3
191.17950	4.3
195.11754	3.4
197.13258	3.3
199.11206	3.1
199.14844	7.0
201.12772	6.8
201.16388	13.1
203.14360	13.9
203.17990	13.3
205.15901	5.9
207.13817	6.6
209.13313	3.6
209.15395	4.2
211.14793	5.8
213.16396	7.1
215.14278	2.8
215.17926	8.6
217.19563	1.8
219.13765	3.7
221.13184	3.0
221.15372	55.3
225.16508	2.6
227.17953	4.2
229.15952	2.5
229.19485	4.2
231.13838	3.6
233.15529	1.9
234.16110	16.1
241.19527	2.0
243.21074	2.1
251.17979	1.7
255.21063	3.8
267.17368	1.7
267.21066	2.4
269.22638	3.5
271.17017	1.9
287.19977	4.8
299.20038	2.1
300.20914	4.9
313.21500	1.7
317.28500	1.6
325.21725	1.6
329.21161	2.7
349.27267	2.6
391.26041	3.6
391.33505	6.1
409.27325	31.2
409.34625	52.8
427.95352	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.2
55.01848	2.1
55.05518	21.7
57.07076	6.3
59.04994	3.2
65.03944	3.2
67.05508	18.6
69.03429	7.3
69.07073	11.7
70.02427	3.2
70.02838	7.5
71.04995	2.3
77.03930	3.1
79.05495	26.6
79.72405	1.8
81.03421	2.2
81.07056	38.4
83.04988	3.8
83.08636	5.4
85.06549	5.0
91.05482	40.2
93.07046	52.8
95.04966	41.6
95.07995	3.0
95.08612	48.3
97.06528	6.5
99.08110	2.7
103.05472	2.2
105.07037	100.0
107.08599	39.0
109.06516	11.2
109.10168	22.2
111.08107	3.3
113.27598	1.9
115.05440	3.3
117.07028	17.4
119.04981	2.3
119.08588	81.8
120.09369	2.1
121.06540	12.3
121.10146	31.7
123.08089	13.9
123.11690	7.7
127.69051	1.7
128.06242	3.6
129.07048	6.9
130.07799	3.2
131.08575	26.6
133.06502	4.6
133.10139	27.1
135.08046	9.9
135.11691	16.1
137.09621	6.0
137.13275	3.0
141.06979	3.6
142.07787	14.6
143.08568	16.9
144.09348	2.4
145.06485	2.8
145.10133	44.8
146.10936	3.1
147.08070	14.6
147.11693	43.4
149.09647	10.8
149.13237	11.2
150.10413	1.8
151.07559	14.9
151.97160	1.7
155.08575	7.3
156.09329	3.2
157.10144	21.1
159.08101	6.3
159.11674	22.2
161.09653	6.4
161.13249	9.8
163.11247	3.4
163.14833	6.0
165.09134	31.7
167.08524	3.1
168.09346	3.4
169.10149	8.0
171.11685	14.6
173.09610	5.7
173.13271	14.4
175.11214	26.6
175.14853	10.2
177.09134	5.9
177.16402	8.6
178.09891	2.3
181.10123	4.5
182.11113	2.3
183.11739	10.4
185.13275	7.7
187.11183	4.7
187.14812	11.6
189.12802	6.1
189.16402	5.6
191.17960	4.1
196.12560	2.5
197.13304	5.3
199.14841	7.6
201.12747	9.5
201.16435	12.1
203.14371	12.6
203.17992	10.1
205.15935	5.1
207.13789	8.7
209.13232	5.8
209.15227	2.5
211.14783	4.6
213.16431	4.0
213.82768	2.1
215.14351	4.6
215.17984	7.2
219.13756	5.3
221.13196	3.1
221.15378	60.7
223.14844	2.1
225.16330	2.3
227.14404	2.4
227.18001	3.6
229.15939	4.3
229.19638	4.6
231.13893	4.0
233.15411	2.4
234.16086	19.5
239.17809	2.3
241.19530	4.4
243.20978	2.3
255.21106	3.9
269.22586	3.5
286.19321	4.1
287.20016	6.5
300.20822	4.6
329.21078	3.6
373.25146	2.4
391.26208	3.8
391.33490	7.8
409.27328	38.1
409.34579	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13887	2.3
53.03934	4.4
55.01855	3.6
55.05512	24.1
57.07063	9.3
59.04993	2.7
60.46217	2.1
65.03944	2.2
67.05508	24.3
69.03423	6.2
69.07059	13.0
71.04979	4.5
77.03921	3.1
79.05499	25.0
81.07058	41.1
83.04980	6.6
83.08624	6.7
85.06530	3.4
91.05482	40.3
93.07048	50.4
95.04981	45.7
95.08611	42.6
97.06539	16.0
97.10134	4.1
98.20727	4.5
103.05492	4.3
105.07037	100.0
107.08601	35.0
109.06525	8.7
109.10168	22.7
115.05460	5.9
117.07037	17.1
119.08591	75.1
121.06516	20.2
121.10139	26.4
123.08076	19.9
123.11710	3.8
125.05937	2.7
125.09591	2.5
128.06212	7.9
129.07008	7.9
130.07834	5.1
131.08574	31.2
132.09314	2.3
133.06517	4.6
133.10127	29.5
135.08061	14.6
135.11722	14.3
137.09619	11.0
137.13205	3.1
139.11165	2.3
141.06976	3.6
142.07805	10.5
143.08568	20.1
144.09323	4.3
145.10133	51.6
147.08058	20.4
147.11707	43.3
149.09647	9.5
149.13243	5.4
151.07547	29.2
153.07010	2.2
153.09081	3.9
155.08560	9.2
156.09331	7.8
157.10152	26.6
159.08072	6.7
159.11700	24.7
161.09630	8.2
161.13289	8.8
163.11201	6.0
163.14833	6.2
165.09145	36.0
167.08528	2.4
168.09314	2.9
169.10104	17.8
170.10808	3.3
171.11737	14.7
173.09633	5.7
173.13239	13.2
175.11208	23.5
175.14906	5.1
177.09100	3.5
181.10139	5.9
182.51888	2.1
183.11697	16.1
185.13248	10.3
187.11180	6.2
187.14822	10.6
189.12772	7.9
189.16335	3.2
191.14365	2.5
191.17902	3.3
195.11598	4.5
196.12425	3.8
197.13312	4.2
199.14841	3.2
201.12650	11.1
201.16417	14.0
203.14410	12.8
203.18036	4.9
205.15797	3.1
207.12080	2.4
207.13776	10.8
209.13406	4.6
211.14783	11.1
213.12708	3.9
215.14247	2.6
215.17912	3.2
219.11819	3.0
219.13893	4.8
221.15376	70.6
223.14792	3.8
225.16290	2.5
227.17879	4.5
229.15857	4.9
229.19534	3.9
233.15364	3.2
234.16055	12.6
235.14818	2.9
239.14272	2.6
239.18033	4.4
241.19589	3.6
286.19397	5.1
287.20145	7.6
300.20764	4.9
329.21088	6.9
391.26315	7.6
391.33487	3.8
409.27322	50.1
409.34634	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	409.1838
Annotation	Woodhousin
Peak:m/z	Relative Intensity
56.21786	0.3
58.57784	0.3
67.05503	0.3
70.58793	0.8
70.59137	0.5
73.50021	0.3
78.58160	0.3
82.80658	0.3
91.05484	0.3
107.01067	0.4
109.10162	0.6
121.10144	0.4
123.04408	0.6
129.50304	0.4
131.08560	0.4
135.11671	0.5
147.04344	0.4
159.17310	0.4
173.06105	0.4
211.17017	0.7
212.17305	0.9
229.05025	1.4
247.13074	3.5
257.04462	5.5
265.80453	0.3
287.05493	0.9
330.00208	0.3
347.17014	0.3
409.09320	3.6
409.18347	100.0
410.18671	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0918
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
54.94544	0.3
55.01852	0.4
55.05465	0.3
67.05470	0.5
68.99779	0.6
71.48826	0.3
79.05495	0.4
81.03385	0.3
81.07018	0.6
85.06545	0.3
89.12016	0.3
91.05480	1.5
93.07012	0.5
95.04988	0.5
97.02891	0.5
97.06451	0.3
105.06991	0.9
107.08561	0.7
109.06470	0.5
113.03471	0.7
117.53781	0.3
119.04959	2.6
119.08549	0.5
123.04444	3.6
127.03854	0.5
128.06197	0.4
129.01715	0.3
135.91792	0.3
137.05983	0.5
145.06499	0.5
147.04419	4.4
155.04927	0.5
159.11621	0.3
161.06001	0.8
187.03915	0.9
201.05499	1.2
203.03429	7.4
213.05524	0.5
215.03458	0.5
229.04974	10.2
230.11694	0.5
241.04781	0.6
245.04471	11.1
247.14450	0.4
250.95357	0.3
257.04459	100.0
258.05060	3.3
269.04517	0.9
271.06024	0.9
285.03949	0.3
287.05499	4.9
289.15546	0.5
391.08182	0.8
409.09213	35.8
409.18356	2.3
410.09494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71361	0.7
51.83119	0.7
55.05500	0.9
58.96154	0.7
69.15411	5.4
69.15813	1.9
78.94150	0.6
83.08609	1.6
84.04466	0.8
84.08958	0.9
85.91153	0.8
98.21556	1.4
102.79855	0.7
115.03837	0.8
116.01688	1.7
134.05414	0.7
139.05693	0.7
162.02222	2.7
163.02542	1.1
196.00343	0.7
198.07697	0.9
199.08705	1.2
211.08670	3.9
212.09586	0.8
213.10294	2.2
217.09782	2.5
225.10234	4.8
229.09709	1.7
231.11389	0.9
239.08218	5.6
239.11922	3.5
240.08980	2.4
241.09802	4.5
242.10532	0.8
243.07706	1.6
243.11296	6.3
253.09776	7.0
257.09329	1.5
257.12903	1.9
258.09827	1.0
259.10818	3.2
262.11142	2.6
263.11435	2.3
267.07660	2.4
267.11307	5.1
268.08426	6.2
269.12784	0.7
271.10794	25.2
273.12332	1.7
275.10324	2.0
277.11871	2.4
281.09183	1.3
285.09027	1.3
285.12344	3.4
289.11865	1.8
295.10794	3.9
297.12372	1.0
300.11069	1.1
303.09674	1.1
313.11798	5.5
317.11404	2.8
318.12103	1.0
323.10260	7.8
323.98846	0.8
327.13510	1.2
331.13132	0.8
335.12302	2.9
341.11334	13.7
345.14413	2.6
347.16074	1.0
349.13937	1.2
355.12875	4.1
357.28687	0.7
359.12433	2.8
373.14005	12.3
391.15033	21.7
409.16080	100.0
410.16415	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77619	3.6
56.96557	6.2
57.39322	3.7
58.99855	4.0
60.65462	3.1
69.03425	4.0
69.23815	7.1
69.24224	24.1
77.22995	3.2
78.51939	3.2
78.85531	3.3
81.03465	3.4
82.99832	7.6
85.02885	4.7
86.04288	3.5
87.40304	2.9
94.99834	4.9
97.02849	5.5
98.21543	6.2
98.97593	6.3
101.00873	46.9
103.00655	3.6
113.00886	20.9
115.02408	22.0
119.01937	53.3
127.02435	15.8
131.01913	42.9
133.03468	40.4
139.02356	4.6
143.01904	100.0
145.03468	32.2
147.01376	5.9
149.42775	3.1
155.01910	46.3
157.03473	20.1
158.99847	4.4
159.01382	6.7
161.02956	85.4
163.04443	4.8
167.01999	3.7
168.99857	25.9
171.01421	30.9
173.02966	59.4
174.99144	4.0
175.04506	4.4
177.02432	6.9
180.99791	5.1
183.01390	8.6
185.02911	28.0
186.96880	3.6
186.99353	3.5
187.00905	17.1
187.04504	5.3
188.97063	7.7
189.02469	27.6
191.04106	6.0
193.00133	4.9
195.01465	4.5
196.99278	6.2
197.02885	9.8
199.00880	29.0
201.02409	15.5
203.03918	15.9
207.03473	6.7
211.00923	7.0
211.04489	10.8
213.02477	8.0
215.00323	17.7
215.04138	8.0
217.01947	44.0
219.03571	9.5
221.05019	18.2
223.04584	4.4
229.01910	10.8
230.02657	4.4
231.01448	3.7
231.03546	42.9
237.02812	4.4
239.06085	10.6
241.01897	4.7
243.03493	10.8
245.04958	5.0
247.03094	7.4
249.04579	7.9
259.02972	14.6
261.04651	5.0
263.06107	18.5
271.03033	7.2
271.06198	6.0
273.04483	5.2
275.02457	15.5
275.05527	3.5
287.02567	3.9
287.05502	4.0
289.04071	96.5
301.04037	42.1
303.09155	8.0
307.05115	96.2
319.05173	37.2
330.06915	4.9
333.06705	9.8
349.06354	6.0
361.06091	8.2
377.05460	12.4
391.08020	9.7
409.09592	52.6
417.25928	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03946	2.1
55.01879	0.9
57.03434	1.2
67.05505	0.8
69.03433	6.7
71.04980	1.6
71.43352	1.0
73.02925	1.1
78.03461	16.4
78.03921	0.8
79.05486	0.6
80.05027	3.2
81.03427	16.2
85.02917	6.6
91.05450	0.6
93.07081	0.7
95.08619	0.8
96.04487	3.0
97.02907	4.5
99.04462	2.8
105.07045	0.6
106.02926	54.8
107.08598	1.2
109.02891	46.3
111.04440	1.1
124.03967	100.0
125.09650	1.8
127.03920	6.1
139.03906	1.4
141.05482	14.3
145.04953	1.2
147.04416	0.6
165.87723	0.5
166.04942	1.2
169.05017	1.8
170.14331	0.4
196.06013	0.9
197.04471	0.9
208.06134	0.5
226.07170	0.7
229.07323	0.6
229.14421	0.5
232.06096	1.1
246.11266	0.8
250.07138	24.3
268.08188	37.3
270.09375	0.5
298.08926	0.5
340.10257	0.8
346.10898	0.6
390.13943	0.8
408.12817	7.7
409.09235	0.6
409.18536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	8.1
57.03423	3.6
67.05513	14.8
69.07050	7.6
79.05483	9.6
81.03422	4.5
81.07063	47.8
83.04997	4.7
83.08613	5.1
85.02892	14.0
85.06580	3.4
91.05474	11.6
93.07031	7.2
95.08593	12.4
97.02865	5.8
97.06528	4.3
105.07036	21.5
106.45721	2.8
107.08584	10.3
107.85630	3.1
109.02869	5.4
109.06520	4.2
115.00115	3.0
119.08559	18.5
119.68472	3.4
121.10124	16.9
123.08112	3.8
123.11708	27.5
127.03899	4.0
127.07606	5.3
145.05003	4.1
147.11710	70.5
165.12761	47.3
180.08620	6.5
183.13835	17.1
193.12236	6.9
211.13272	10.0
229.14366	100.0
346.16376	4.3
355.17361	4.3
409.16330	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	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
51.49258	3.2
52.43142	2.4
53.03950	3.2
55.05512	18.6
57.07066	7.4
67.05177	3.6
67.05505	35.0
69.07075	34.7
70.23312	10.1
71.08622	2.8
79.05142	2.6
79.05502	27.3
81.03428	3.9
81.06604	4.7
81.07065	75.8
83.08614	21.8
86.09718	3.1
91.05490	26.1
93.07049	55.8
95.04945	5.4
95.08614	100.0
97.10164	7.2
99.08076	7.4
105.07039	54.1
107.04990	3.0
107.08602	66.1
109.10163	58.6
109.41177	2.4
111.08091	5.1
111.11716	2.4
113.09713	3.1
117.07035	13.4
119.08588	80.8
121.06548	2.6
121.09347	3.9
121.10156	45.9
123.08072	3.3
123.11703	26.6
129.06984	9.1
130.07788	5.1
131.08575	34.6
133.10147	49.0
135.08089	3.2
135.11697	25.8
137.09619	2.7
137.13257	19.5
138.36462	2.8
140.76285	2.4
142.07782	6.9
143.08571	23.1
144.09312	2.3
145.09067	5.0
145.10132	57.7
147.10678	3.9
147.11711	34.1
149.13289	26.7
149.79440	2.3
151.14824	5.2
155.08551	6.2
156.09311	5.3
157.10155	32.6
158.10857	7.0
159.11705	45.6
161.13280	24.5
163.11172	4.1
163.14824	19.4
169.10121	16.8
170.10895	4.0
171.11699	30.3
172.12520	3.6
173.13266	33.1
175.14853	21.5
177.12776	3.0
177.16443	14.2
179.08675	3.4
181.10106	3.6
182.28751	2.6
183.11736	14.4
184.12248	3.0
185.13272	29.5
186.13942	3.6
187.14835	59.4
189.09102	3.4
189.16431	19.4
191.17976	16.4
195.11722	7.2
196.12485	4.0
197.13234	15.2
199.11320	2.6
199.14851	21.5
201.16408	46.4
203.14336	4.1
203.17986	24.3
205.15820	9.0
205.19513	6.1
207.17458	3.6
211.14847	11.1
213.16364	27.9
214.16910	3.4
215.17964	18.1
217.19521	10.5
221.13275	2.9
223.14809	4.6
225.16336	8.9
227.18004	12.0
229.19528	11.4
237.16330	6.1
239.17964	6.9
241.19514	8.7
243.21129	6.5
251.18048	3.3
253.10025	2.6
253.19499	9.3
255.21053	11.9
257.22626	23.9
265.19647	3.8
267.21127	6.6
269.22757	14.4
271.24414	4.3
277.19174	2.7
279.21039	2.9
281.22656	4.9
283.06036	3.0
283.24228	4.3
295.24136	7.9
297.25546	3.2
309.25681	2.6
315.19620	7.7
319.24429	4.4
337.25177	4.5
337.29022	3.1
351.30591	3.5
389.32068	7.7
407.32874	55.2
407.36823	79.6
432.21436	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3676
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03933	3.1
55.05520	15.6
57.07079	13.0
65.03947	1.9
67.05511	28.4
69.07076	49.3
69.26013	7.2
69.26438	7.6
70.06567	1.7
71.08626	5.6
71.13683	1.5
71.39670	1.7
79.05495	18.0
81.07061	87.4
83.08621	18.9
89.06024	5.0
91.05469	12.7
93.07053	31.4
95.08615	67.9
97.10178	10.3
101.82297	1.7
104.47022	1.5
105.07039	26.4
107.08605	46.8
109.10162	51.4
111.11729	4.5
113.00018	5.3
117.07024	6.1
119.08587	33.6
119.09409	1.1
121.10155	40.4
123.11708	27.8
125.13301	2.0
129.07060	2.1
131.08565	16.0
133.10141	24.3
135.11699	24.4
137.13271	18.2
140.38698	1.6
141.06985	1.8
141.10225	5.0
142.07857	1.8
143.08571	10.4
144.09303	1.7
145.10127	23.7
147.11705	18.9
149.13249	17.0
151.14847	3.2
155.08627	1.9
156.09372	1.8
157.10133	15.7
158.10878	2.0
159.11713	28.1
161.13252	19.8
163.14806	9.9
169.02612	2.5
169.10280	2.3
170.10927	2.6
171.11703	14.2
173.13278	21.4
175.14819	11.7
177.16417	7.1
183.11670	4.3
185.13278	14.5
185.25722	1.7
187.14799	17.7
189.16386	11.9
191.17943	3.2
197.13290	5.0
199.14876	10.0
201.16388	14.3
203.17949	8.6
211.14835	6.1
213.16357	12.1
215.17989	10.7
217.19534	7.9
219.20969	2.3
225.16443	3.7
227.17967	13.5
228.18727	3.1
229.19522	12.9
231.21095	3.1
237.16301	2.1
239.17969	3.1
241.19554	5.4
243.21176	2.7
253.19437	3.9
255.21100	8.2
257.22598	6.2
267.21036	2.0
269.22571	9.7
271.24384	2.8
281.22604	3.1
283.24277	7.5
295.24063	2.3
297.25812	7.3
311.27399	3.5
323.27240	4.5
325.28839	5.9
337.28867	3.5
338.29559	1.8
351.30573	7.5
364.31094	1.9
365.32025	3.9
379.33670	2.1
389.34094	1.8
407.22443	3.8
407.36777	100.0
408.37061	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	407.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.05505	20.4
57.07085	10.4
61.61692	2.5
67.05502	30.1
67.05779	2.1
69.07068	51.2
69.07420	3.6
77.70013	2.1
78.14234	2.3
79.05486	17.5
81.07054	89.4
83.08614	15.1
85.10203	2.5
89.06037	4.9
91.05471	16.0
93.07043	35.4
93.07575	3.0
95.04997	2.7
95.08611	79.0
96.08928	2.7
97.10188	11.4
105.07036	35.5
107.08596	45.9
107.09311	2.6
109.10162	52.7
109.10837	3.9
111.11738	3.3
113.00018	14.6
117.07053	3.6
117.37772	2.0
119.08579	38.3
119.09350	3.0
121.10149	40.9
121.10927	2.6
122.77748	2.0
123.11714	30.1
123.12463	2.8
129.06984	2.5
131.08585	17.1
133.10138	29.1
135.11688	23.6
137.13254	13.3
143.08571	10.7
143.18527	2.1
144.09315	2.5
145.10141	29.6
147.11711	27.0
147.12807	2.3
149.13292	22.8
151.14879	4.2
155.08618	3.3
156.09338	2.2
157.10150	13.3
158.10928	2.7
159.11700	32.8
159.12839	2.4
161.13240	18.5
163.14835	12.2
169.02753	7.8
169.10286	3.6
171.11685	14.3
173.13283	25.0
175.14813	19.9
176.04828	1.9
177.16331	14.1
183.11801	5.3
185.13388	8.6
186.14047	2.5
187.14868	17.4
188.15277	2.2
189.16420	12.3
191.18088	6.3
197.13350	5.4
199.14999	6.9
201.16353	11.7
203.17979	10.8
211.14937	5.7
212.15883	2.6
213.16394	11.0
215.17941	14.9
217.19627	7.7
219.65018	2.6
227.17952	11.4
228.18668	2.6
229.19666	9.1
231.21283	6.4
239.18127	2.9
241.19655	6.5
243.21175	4.6
253.19688	2.9
255.21211	9.1
257.22794	9.3
267.21170	2.6
269.22806	7.2
271.24316	2.8
283.24387	9.6
295.24313	4.1
297.25980	6.7
299.27756	2.9
311.27551	3.8
323.27725	5.0
325.28952	4.7
327.02496	2.7
337.29272	3.0
351.30466	5.2
358.20071	2.6
365.32196	2.2
389.32373	5.9
394.20819	2.5
407.32980	11.1
407.37057	100.0
408.37494	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	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	3.8
53.03933	3.7
55.05508	25.5
57.07064	12.8
67.05515	41.4
69.07076	51.5
69.38366	3.4
69.50935	26.0
71.08632	6.5
79.05503	34.2
81.07063	89.5
83.08625	19.0
89.06015	8.6
91.05481	36.4
93.07047	52.7
95.08617	94.8
96.62833	3.7
97.10141	7.2
98.33298	3.7
103.05459	4.4
103.34015	3.6
103.90621	3.5
105.07044	74.0
107.08601	93.3
108.66808	3.3
109.06536	3.7
109.10155	58.8
111.11744	4.0
112.99979	8.6
115.05466	3.7
117.07034	15.4
119.08599	100.0
121.10151	71.2
123.11709	41.4
125.09625	7.7
129.06981	5.1
130.07799	5.0
131.08577	41.4
133.10132	82.4
135.11707	65.8
137.09685	8.4
137.13242	16.8
139.11212	6.2
141.06944	3.5
142.07814	6.0
143.08595	21.5
145.07855	3.4
145.10121	91.0
147.11713	44.2
149.13286	33.4
151.11179	13.6
155.08585	6.8
156.09373	3.9
157.10161	26.4
159.11714	49.3
161.13258	42.4
163.14847	20.5
164.44173	4.0
167.08557	5.2
169.02641	8.3
169.10136	16.6
170.10928	4.9
171.11717	24.1
173.13268	36.6
175.14795	35.1
177.16385	18.9
179.14278	6.1
181.10162	5.1
182.10846	4.3
183.11703	13.1
184.12451	4.8
185.13231	32.0
187.14839	68.4
189.16399	30.5
191.17975	9.8
197.13274	14.3
199.14830	32.5
201.14795	3.5
201.16400	94.1
203.17955	13.7
211.14848	12.3
213.16331	17.1
215.17935	19.0
217.19533	10.5
225.16414	8.0
227.17926	14.7
229.19547	11.8
231.21046	6.6
239.14893	4.7
239.17914	6.0
241.19485	24.3
253.19499	17.1
255.21095	16.3
257.22705	14.8
257.40881	3.8
267.21173	9.0
269.22647	11.8
281.23053	3.8
283.24069	8.9
325.28940	6.8
337.28986	4.8
351.30322	4.6
389.31955	27.2
407.32965	86.1
407.36844	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03936	0.8
55.05515	8.4
57.03432	4.7
57.07078	11.3
59.38635	0.8
65.03947	1.3
67.05508	14.0
69.07066	11.8
69.28600	7.4
71.08629	5.2
79.05515	6.8
81.06596	1.7
81.07060	29.5
83.08613	5.9
85.10193	2.4
88.61495	0.8
89.06020	1.2
91.05480	8.1
93.07045	16.8
95.08612	47.3
97.06572	1.0
97.10188	4.7
98.20805	1.6
100.28291	0.9
103.05457	0.9
105.07040	15.4
107.08599	26.6
109.10160	23.7
111.08091	1.1
111.11711	1.6
113.00024	98.0
117.07034	3.3
119.08591	25.0
121.10145	24.2
123.08110	0.8
123.11710	15.1
129.07036	2.9
131.08574	9.2
133.08630	1.4
133.10144	19.6
135.11693	18.1
137.09685	0.9
137.13271	9.2
139.11205	2.1
141.06976	1.0
142.07803	1.7
143.08583	5.5
144.09378	1.3
145.10135	20.9
147.11699	14.4
149.02377	1.3
149.13254	10.1
150.86366	0.7
151.14853	1.5
154.02679	0.8
155.08600	2.1
156.09332	1.2
157.10138	8.3
158.10912	1.6
159.11693	18.9
161.13245	9.8
163.14853	9.4
165.12764	2.2
169.02621	100.0
169.10144	2.5
170.10904	1.0
171.11696	9.1
173.13272	13.2
175.14809	7.9
177.16406	9.5
178.66731	0.9
181.10188	1.4
183.11729	3.3
185.13290	8.3
187.14816	21.4
188.15500	0.8
189.16377	12.6
191.14481	0.9
191.17932	6.2
195.11717	1.4
197.13287	2.9
199.14844	6.1
201.16402	13.7
203.17960	10.1
205.15968	2.1
205.19542	2.2
207.17451	2.6
209.13274	1.3
211.14838	2.8
213.16417	9.7
215.17949	9.5
217.15990	1.2
217.19493	4.4
225.16370	2.2
227.17999	7.0
229.15817	1.2
229.19566	5.3
231.17595	1.1
231.20985	1.8
237.16487	1.3
239.17982	2.4
241.19572	4.6
243.21098	4.3
245.22769	1.0
251.17989	1.1
253.19595	2.5
255.21126	7.2
257.18851	0.9
257.22607	3.1
267.21036	2.8
269.22665	7.6
271.24313	2.0
283.24228	2.0
293.22668	1.5
297.25812	1.5
307.24304	1.0
309.25836	1.9
323.27451	1.3
337.25317	1.1
365.32053	3.7
389.32162	4.8
407.32919	27.8
407.36853	29.6
408.33154	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01854	0.8
55.05514	10.9
57.07089	3.8
65.03928	1.4
67.05505	12.3
69.03433	1.3
69.07071	15.3
70.70950	1.3
70.71285	1.7
74.84499	0.8
77.03915	1.0
79.05494	11.7
81.07057	23.1
83.04992	1.8
83.08615	6.8
91.05482	13.8
93.07048	26.7
95.04974	2.1
95.08611	35.2
97.06512	1.9
97.10168	2.3
99.08097	3.4
103.05430	1.4
105.04526	0.9
105.07034	22.7
106.39388	0.7
107.08598	35.4
109.06497	2.1
109.10167	20.9
111.08089	1.7
111.11734	1.3
117.07011	5.8
119.08588	55.1
121.06528	1.0
121.10149	27.1
123.08071	1.6
123.11703	9.9
125.09644	1.1
128.06216	0.8
129.07019	2.3
130.07788	1.6
131.08572	31.7
133.10132	30.5
135.08022	1.8
135.11697	14.2
137.09625	5.4
137.13237	2.3
139.11195	1.6
141.06921	1.3
142.07774	2.9
143.08562	10.6
144.09325	3.6
145.10129	35.6
146.10811	0.9
147.04427	0.9
147.11691	15.3
149.09625	2.5
149.13281	10.3
151.11192	4.8
155.08571	3.2
156.09380	4.6
157.10136	18.5
158.10909	5.4
158.61058	0.7
159.11699	33.7
161.09673	1.3
161.13252	11.6
163.11169	4.2
163.14845	8.1
165.12749	2.0
167.08549	1.0
169.10136	5.8
170.10933	3.1
171.11693	15.3
172.12511	3.7
173.13275	20.1
174.13832	0.9
175.11227	1.6
175.14853	8.6
177.12779	3.1
177.16411	8.2
179.08583	0.9
179.14261	0.9
181.10181	1.7
182.10959	1.7
183.11719	8.2
184.12471	1.7
185.13254	16.2
186.13977	0.8
187.14825	64.0
188.15231	1.0
189.12752	1.0
189.16394	14.7
191.14316	2.3
191.17932	3.3
193.10187	1.5
195.11714	2.3
196.12418	1.1
197.13258	8.0
199.14833	12.5
201.16393	70.4
202.16695	1.2
203.14365	2.6
203.17949	5.0
205.15872	10.0
207.11731	1.2
207.17433	10.7
208.12421	0.9
209.13332	3.5
211.14867	5.6
213.16396	18.4
215.14369	3.9
215.17950	5.1
217.15906	1.2
217.19514	1.1
219.17480	2.0
221.13403	0.9
223.14825	3.1
225.16360	3.8
227.17908	9.7
229.15947	1.3
229.19572	2.8
233.19073	2.3
235.14775	1.8
237.16452	3.5
239.17976	3.6
241.19495	3.5
242.05582	0.9
243.17458	1.6
243.21190	2.1
245.19014	1.5
249.16435	1.5
251.18021	2.7
253.19524	4.4
255.21092	4.4
257.19135	1.4
257.22736	1.1
263.17880	1.8
265.19553	2.8
267.21103	3.1
269.19101	1.0
269.22604	3.3
277.19595	1.1
279.21094	1.8
281.22705	1.1
283.20541	4.0
285.22186	1.0
291.20764	1.2
293.22382	1.0
295.24222	1.6
297.22281	1.0
307.23950	0.8
309.22131	1.0
309.25790	1.0
311.23715	1.8
313.25467	1.3
319.24283	2.2
323.23663	1.5
325.25259	1.3
333.25797	1.4
335.27325	2.2
337.25278	3.0
347.27365	1.1
351.26828	2.5
365.28491	1.1
389.32132	9.1
390.00079	0.9
407.33121	100.0
408.33215	0.9
422.50580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36641	1.7
55.05514	10.1
57.07073	4.7
64.03661	2.5
67.05510	16.3
69.07070	14.4
70.62663	5.6
79.05492	16.7
81.07061	27.4
83.05005	2.0
83.08631	7.5
91.05466	14.8
93.07047	27.2
94.26309	2.0
95.05002	2.2
95.08611	41.5
97.10162	3.1
99.08123	8.7
103.05604	1.8
105.07036	30.3
107.08598	40.9
109.06532	2.4
109.10172	27.8
111.08105	2.9
117.07056	7.3
119.08594	63.4
121.10155	33.2
123.08119	2.0
123.11713	11.6
125.09646	2.4
128.06256	2.1
129.07007	6.0
131.08583	33.8
133.10127	34.3
135.11699	17.7
137.09630	4.3
137.13327	4.8
141.06979	2.7
142.07808	5.3
143.08557	18.1
145.10138	35.5
147.11673	18.8
149.13254	13.8
154.42038	1.8
155.08592	7.1
156.09378	4.2
157.10159	25.4
158.10948	2.9
159.11691	32.8
161.09645	3.7
161.13229	11.1
163.11339	2.6
163.14900	7.6
166.78236	2.0
169.10138	10.6
170.10939	5.3
171.11684	24.5
172.12457	3.7
173.13263	27.5
175.14810	10.8
177.16483	8.2
180.75858	2.3
181.10159	3.7
183.11678	14.8
185.13289	26.1
186.13879	2.8
187.14841	57.8
187.16457	3.4
189.16437	13.8
191.18013	7.4
195.11745	6.4
196.12668	2.0
197.13290	13.8
198.14020	2.9
199.14859	19.5
201.16412	44.9
201.18297	2.9
203.14397	4.1
203.18033	7.6
205.15941	6.6
207.11746	2.9
207.17523	7.9
209.13350	4.5
211.14934	9.3
213.16383	19.3
215.18045	8.1
217.19591	2.4
221.13306	3.3
223.14832	5.6
225.16455	8.5
227.17963	15.9
231.17418	3.2
233.19135	2.5
235.15009	2.6
237.16513	8.6
239.18057	4.1
241.16132	2.0
241.19629	6.5
243.21181	3.1
249.16422	2.4
251.17967	4.1
253.19643	4.2
255.21202	4.6
263.18085	3.5
265.19537	2.5
267.21103	4.7
279.21246	2.3
283.20667	2.6
293.22693	3.4
311.23819	3.2
319.24347	6.0
335.27426	4.1
337.25287	3.3
389.28073	3.3
389.32248	7.2
407.33267	100.0
408.33563	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	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05512	9.2
55.75415	1.4
57.07069	2.6
67.05500	13.9
69.07078	15.4
69.16127	2.9
69.16531	13.3
75.12628	1.3
75.58979	1.5
79.05506	11.3
81.07063	22.8
82.53190	1.5
83.08627	8.4
91.05488	16.9
92.60837	1.3
93.07054	30.1
95.04985	1.8
95.08617	61.7
97.10148	2.2
98.21542	2.6
99.08111	8.0
105.07045	42.5
106.97176	1.4
107.08607	54.7
109.10172	23.1
117.07055	6.9
119.08593	55.5
121.10154	45.3
123.08199	1.4
123.11736	13.4
125.09664	1.5
128.06195	2.1
129.07008	2.9
130.07832	2.2
131.08574	19.3
133.10143	39.8
135.11702	24.3
137.13254	3.9
139.11157	1.8
142.07739	3.5
143.08578	10.3
144.09398	2.2
145.10147	32.9
145.11305	2.1
147.11700	22.0
149.13252	10.4
151.11238	2.5
155.08586	3.5
156.09361	3.6
157.10159	14.7
158.10948	2.3
159.11694	30.7
161.09575	2.3
161.13278	18.6
163.14832	9.1
169.10167	6.3
170.10944	2.5
171.11690	13.9
173.13261	23.9
175.14839	25.8
177.16417	24.6
181.10143	2.0
183.11642	7.9
184.12364	1.6
185.13292	12.0
187.14833	33.0
188.15495	1.4
189.16411	17.3
191.17938	14.1
197.13283	6.1
199.14861	13.2
201.16388	28.6
203.17972	7.7
203.65445	1.6
205.15906	10.1
207.17522	3.6
209.13329	3.1
211.14857	5.8
212.15637	2.0
213.16394	18.8
215.17992	21.0
217.19556	3.6
219.17540	1.9
223.14845	2.5
225.16449	4.4
227.18091	7.8
229.19585	6.1
231.17520	3.1
239.18016	2.8
241.19473	4.7
243.20990	2.3
245.19028	2.5
253.19659	4.7
255.21147	4.6
257.22708	2.4
265.19580	2.2
267.21182	3.5
279.18414	1.7
279.21323	2.2
281.22763	2.2
293.22726	2.4
295.24243	2.6
319.24258	3.8
327.02551	1.7
335.27362	9.9
351.26898	3.1
379.33612	3.0
389.32059	15.0
396.04883	1.5
407.33115	100.0
408.33151	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	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32588	1.2
51.43001	0.9
53.03944	1.6
53.93281	1.0
54.53686	0.9
55.05508	11.2
57.07065	3.5
67.05508	13.0
69.07069	19.7
73.45948	0.9
76.41920	1.1
77.03911	1.1
79.05488	11.5
81.07061	26.9
83.04972	1.7
83.08636	6.4
85.06519	1.4
87.49999	1.1
91.05478	18.4
93.07048	30.4
95.08611	50.3
97.06551	2.0
97.10190	2.5
99.08093	3.6
105.07036	32.8
107.08596	55.1
109.06528	1.6
109.10162	26.3
111.08082	2.6
115.05459	1.5
116.06206	0.9
117.07022	6.3
119.08586	76.5
121.06513	1.4
121.10152	42.4
123.08048	3.5
123.11700	9.8
125.09619	1.7
128.06236	2.1
129.07011	3.9
130.07799	2.9
131.08568	36.3
133.10138	36.0
135.08057	1.8
135.11696	18.5
137.09645	8.2
137.13260	3.0
141.06996	1.7
142.07802	1.7
143.08553	8.7
144.09346	3.8
145.10130	61.0
147.11694	21.4
149.09595	3.0
149.13275	16.7
151.11182	4.2
151.14902	1.3
155.08598	2.2
156.09369	3.0
156.63229	1.0
157.10136	19.3
158.10925	6.5
159.11703	44.6
161.13281	17.0
163.11197	14.5
163.14818	14.2
165.12839	2.1
169.10181	3.4
170.10910	3.6
171.11694	16.3
172.12402	4.7
173.13271	47.9
175.11267	1.5
175.14838	25.5
175.16301	1.6
177.12784	2.9
177.16406	20.8
179.14368	1.5
183.11684	5.8
184.12550	2.2
185.13275	16.5
186.14047	1.9
187.14827	77.7
189.16408	23.0
191.14409	2.8
191.17934	4.8
195.11992	1.3
197.13298	4.0
199.14827	16.4
201.16393	100.0
202.16765	1.8
203.14368	1.3
203.18002	8.6
205.15884	74.3
205.19505	2.6
207.17444	14.0
209.13312	1.8
211.14879	4.4
213.16385	16.7
215.14369	3.3
215.18028	5.2
217.15869	1.8
217.19542	2.8
219.17490	4.3
223.14865	2.0
225.13087	1.2
225.16396	3.4
227.17979	7.3
229.19539	4.2
231.17633	2.3
233.19127	2.0
237.16386	1.9
237.48538	1.1
239.17963	2.1
241.19598	3.4
243.17496	1.5
243.21065	2.4
251.18095	1.6
253.19592	2.5
255.21124	2.3
257.22766	1.0
267.21243	2.7
269.22650	2.4
279.21021	1.8
295.24265	1.5
309.25824	2.2
311.23935	1.9
319.24164	2.5
321.25912	1.2
335.27289	1.8
337.25333	1.9
347.20682	0.9
365.28125	1.1
379.33496	1.2
389.31921	8.7
407.33139	92.4
408.33350	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.4
57.07075	4.1
65.03956	1.2
67.05504	12.1
69.07076	18.2
70.88518	2.4
71.08623	1.7
79.05495	15.7
81.07061	26.6
83.04977	1.8
83.08612	9.0
85.06554	1.8
91.05482	22.6
93.07053	32.2
95.04958	2.4
95.08611	53.9
97.10172	2.1
99.08103	2.7
99.32890	1.3
103.05490	2.0
105.04555	1.4
105.07040	39.5
106.24026	1.3
107.08600	55.7
109.06547	2.7
109.10165	27.9
111.08064	3.0
115.05458	1.9
117.07005	10.0
119.08590	56.9
120.08954	1.4
120.47131	1.2
121.06528	2.3
121.10149	46.8
123.08085	2.4
123.11701	12.2
123.94521	1.3
125.09603	1.6
129.07011	4.4
130.07797	4.8
131.08574	47.0
133.10141	36.6
135.08075	4.9
135.11711	15.4
137.09598	6.3
137.13278	1.6
142.07759	3.9
143.08546	11.4
144.09352	1.9
145.10133	78.0
147.11696	24.3
149.09673	2.2
149.13269	21.7
151.11211	5.2
155.08575	2.0
156.09300	3.5
157.10152	15.4
158.10956	4.8
159.11708	49.4
161.09689	2.3
161.13271	16.3
163.11195	10.5
163.14822	18.9
169.10164	2.6
170.10950	2.5
171.11688	13.9
172.12460	4.5
173.13266	30.4
173.34398	1.3
175.11224	2.2
175.14825	32.3
177.12805	3.9
177.16394	29.2
177.17842	2.3
179.14349	3.1
181.10109	1.7
183.11722	6.7
184.12552	2.0
185.13281	14.7
187.14827	98.3
189.16409	19.8
191.14359	6.0
191.17986	2.4
194.11057	1.3
195.11606	1.5
197.13387	3.9
199.14838	9.9
201.16394	100.0
203.14413	2.4
203.17986	13.8
205.15886	73.2
207.11804	1.8
207.17499	8.5
211.14912	3.0
213.16399	11.0
215.14381	4.0
215.17978	9.9
217.15916	4.5
217.19518	3.0
219.17467	2.7
225.16313	3.3
227.18025	8.6
229.19649	3.7
231.17403	4.0
233.19058	1.8
237.16403	4.8
239.18050	2.3
241.19516	3.3
255.21259	2.4
259.20486	1.6
263.23874	1.3
267.21313	1.6
281.22684	1.5
283.20465	2.8
349.29224	1.7
389.32077	5.7
407.33176	92.4
408.33630	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55285	3.2
51.77383	2.8
55.05499	11.8
57.07084	3.2
57.31392	3.6
60.72854	3.2
67.05505	20.9
67.54313	3.9
69.07068	15.6
79.05489	12.7
81.07060	30.9
83.08607	12.1
91.05475	21.7
93.07050	35.4
95.08615	49.6
97.06571	2.9
97.10123	3.8
98.21538	8.4
99.08131	15.1
105.07027	32.1
107.08602	42.4
109.10153	40.4
113.00053	6.5
117.07014	6.8
119.08595	85.8
121.10151	32.1
123.11717	11.2
129.07051	7.2
131.08585	38.9
133.10164	36.2
135.11685	18.3
137.09683	3.4
143.08615	14.4
143.65666	3.4
145.10143	54.3
147.10701	3.4
147.11665	21.5
149.13297	14.3
155.37465	3.1
156.09358	4.8
157.10123	23.1
158.10913	5.6
159.11694	42.0
161.13248	9.4
163.14824	12.3
169.02728	5.8
169.10100	10.3
170.10887	9.4
170.86850	3.5
171.11700	25.8
172.12389	3.5
173.13275	34.0
175.14832	10.2
177.16356	4.4
183.11708	12.0
184.12492	5.8
185.13249	32.2
187.14828	83.5
189.16364	15.3
191.17928	14.9
195.11662	3.6
197.13283	10.9
199.14818	31.0
201.16391	70.2
203.17889	9.3
205.19383	3.4
207.17476	10.8
211.14825	11.8
213.16365	34.8
215.17987	13.4
217.16000	6.2
223.14752	4.5
225.16393	5.4
227.17906	15.7
228.89989	3.7
229.19359	4.3
239.17984	8.5
241.19772	3.7
242.02716	3.6
251.17889	5.5
253.19630	6.0
255.17635	3.3
267.21121	7.7
279.21417	4.1
293.22620	5.1
297.22186	2.8
311.23575	4.0
311.87277	2.8
317.99890	3.3
323.23486	4.1
335.27420	5.7
337.25247	3.6
389.32108	11.5
407.33090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.05507	10.5
57.07077	4.8
60.80157	2.2
67.05494	12.7
69.07076	16.4
69.19349	22.8
77.80585	2.5
79.05501	13.0
81.07061	30.6
83.08608	7.7
91.05475	15.4
93.07049	28.2
95.04968	3.7
95.08613	46.4
97.10161	2.8
99.08102	18.9
105.07045	29.2
107.08595	41.4
109.10152	26.7
117.07033	8.4
119.08591	59.1
121.10151	31.6
123.11686	11.1
128.06210	3.0
129.07019	6.2
129.58321	2.4
131.08582	44.8
133.10135	29.6
135.11726	26.4
137.13269	6.9
142.07791	5.3
143.08617	15.0
144.09338	3.0
145.10135	35.8
147.11690	17.3
149.13271	9.7
152.84975	2.4
155.08595	7.3
156.09380	5.4
157.10127	22.7
158.10864	2.6
159.11716	42.5
161.13277	9.5
163.14772	11.6
169.10158	9.3
170.10956	3.7
171.11664	19.7
172.12514	3.5
173.13289	32.4
175.14821	13.7
177.16440	4.9
181.10124	2.9
183.11707	14.3
184.12524	3.9
185.13292	19.9
187.14828	50.9
189.16422	9.0
191.17979	23.7
195.11754	5.4
197.13280	9.5
199.14857	23.9
201.16394	43.3
203.14336	5.8
203.17934	4.8
205.15942	3.8
209.13219	3.7
211.14857	14.7
213.16457	16.8
215.18010	9.0
223.14777	5.2
225.16466	6.0
227.17940	8.1
229.15901	2.6
229.19591	5.9
236.15921	2.4
237.16434	5.3
239.17940	4.4
241.19414	5.3
243.21245	2.4
251.18018	2.5
253.19568	3.3
255.20970	4.5
267.21075	6.2
279.21146	2.8
285.22247	2.8
293.22507	2.7
293.61566	2.5
315.19690	3.0
319.24265	4.4
323.23819	3.4
335.27292	9.3
365.28268	2.8
383.04700	2.8
389.32080	10.7
407.33157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04075	2.5
55.05513	9.7
57.07064	4.7
59.29614	2.2
67.05503	11.6
67.15179	1.9
67.23586	1.9
69.07070	14.7
69.35416	13.8
69.35828	5.8
79.05501	11.9
81.07057	24.9
83.04976	2.9
83.08624	7.9
87.38132	1.8
91.05486	18.4
93.07051	27.8
94.40774	2.7
95.05008	3.9
95.08608	57.7
97.10168	2.7
105.07030	33.2
107.08599	51.1
109.10162	29.3
117.07030	7.4
119.08584	94.1
121.10147	55.5
123.08030	2.7
123.11732	12.1
129.06969	2.9
130.07768	3.2
131.08566	31.8
133.10133	43.1
135.08034	4.3
135.11707	21.9
137.09634	8.5
142.99112	2.6
143.08562	7.3
145.10126	82.3
147.11684	25.4
149.09673	2.7
149.13268	17.8
156.09312	2.7
157.10118	17.5
158.10928	5.3
159.11703	53.7
161.13252	21.5
163.11185	22.7
163.14870	13.3
170.10875	4.6
171.11664	16.9
173.13268	58.2
175.14832	29.1
176.90660	2.0
177.12794	3.6
177.16373	29.6
179.14362	2.8
183.11697	9.1
185.13292	19.1
187.14816	83.2
189.16394	23.4
191.14339	4.2
191.17998	2.5
197.13219	2.6
199.14836	19.3
201.16388	100.0
203.17987	8.7
205.15884	95.2
207.17406	12.8
211.14885	5.3
213.16360	15.9
215.17973	6.7
217.19644	2.5
219.17416	4.3
225.16328	2.3
227.17949	4.5
229.19566	4.6
231.17294	2.2
233.19025	3.5
237.16284	2.2
239.17747	3.0
241.19574	4.3
253.19701	2.2
313.25150	2.2
356.94745	2.1
358.99094	2.2
389.32047	9.0
407.27792	4.1
407.33102	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.5
57.07065	4.1
64.77148	2.4
67.05507	13.7
69.07061	12.2
70.13309	2.3
70.68269	5.9
79.05499	10.6
81.07057	26.4
83.08598	5.3
91.05492	12.3
93.07041	26.4
95.08612	36.9
96.82896	2.4
97.10149	3.1
99.08097	7.7
105.07043	24.5
107.08600	42.7
109.10162	34.9
111.08092	2.4
116.06292	2.6
117.07023	7.8
119.07715	3.6
119.08585	75.2
121.10141	30.9
123.11702	14.2
129.06993	4.6
130.07784	3.2
131.08571	33.7
133.10156	32.6
135.08168	2.6
135.11676	22.1
137.09604	3.4
137.13245	4.0
142.07793	4.0
143.08549	13.4
144.09305	3.3
145.10130	49.1
147.11729	19.7
149.13257	12.7
155.08585	3.4
156.09329	6.2
157.10117	23.2
158.10910	4.6
159.11705	49.8
161.13240	13.6
163.14853	10.8
163.34538	2.1
165.12759	2.5
169.10147	8.2
170.10896	8.1
171.11729	23.1
173.13293	30.6
175.14883	13.0
177.12924	2.5
177.16379	7.3
183.11719	10.6
184.12494	3.8
185.13240	23.3
187.14828	82.0
189.16391	16.6
191.18028	9.6
191.40472	2.4
196.12434	2.4
197.13240	13.8
199.14830	26.4
201.12778	2.9
201.16383	53.3
203.14302	4.6
203.17976	6.4
205.15910	9.9
207.17479	7.9
209.13240	4.6
211.14848	9.9
213.16389	30.2
215.18008	9.2
217.15889	3.4
217.19467	3.2
219.17239	3.1
223.50107	2.3
225.16447	4.9
227.17900	12.0
229.15750	2.6
229.19452	3.8
229.82036	2.3
230.34843	2.4
237.16368	2.4
239.17967	5.3
241.19586	2.9
243.17497	5.8
251.17966	5.7
253.19566	3.8
255.21140	4.0
267.21182	5.6
279.21024	3.0
305.22888	2.4
319.24097	2.9
335.27399	5.0
337.25284	7.0
377.46082	2.3
389.31927	10.4
395.64798	2.8
407.33093	100.0
408.33569	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01865	2.1
55.05509	12.3
57.07066	4.9
65.03959	2.2
67.05505	14.7
69.07076	20.1
79.05496	17.7
79.96004	1.7
81.07053	33.4
83.04955	1.9
83.08620	8.8
91.05477	22.5
93.07040	31.0
95.08612	58.8
97.06530	1.8
97.10166	2.8
99.08091	7.4
105.07035	40.4
107.08596	64.2
109.06512	2.7
109.10151	25.1
111.08134	2.3
117.07029	9.0
119.08585	81.0
121.06480	2.2
121.10144	48.0
123.08055	3.1
123.11716	8.9
129.07008	4.5
130.07811	4.7
131.08572	43.4
133.10127	43.8
135.08080	3.0
135.11705	23.3
137.09596	4.1
142.07747	3.1
143.08566	12.5
144.09361	4.4
145.10127	66.3
147.11703	24.9
149.13249	15.0
151.11238	2.6
155.08559	4.0
156.09294	2.7
157.10135	17.4
158.10912	7.9
159.11693	43.3
161.13274	14.3
163.11185	27.6
163.14825	11.1
165.12759	1.8
169.10254	3.1
170.10960	4.0
171.11714	16.4
172.12515	3.5
173.13268	37.8
175.14845	29.7
177.12845	2.9
177.16389	31.2
177.17838	2.6
181.10173	2.0
183.11752	7.8
185.13252	19.0
187.14821	77.9
189.16393	20.9
191.14337	4.4
191.17937	12.7
197.13322	5.2
199.14870	15.4
201.16396	88.8
202.16806	2.0
203.17905	8.6
205.15892	81.0
207.17451	9.1
207.40515	1.9
209.13394	2.9
211.14883	7.0
213.16400	16.5
215.14449	3.5
215.17992	8.9
217.15942	5.0
217.19511	3.6
219.17447	5.2
223.14954	4.0
225.16428	3.4
227.18030	7.8
229.15926	2.7
229.19556	5.3
231.17389	2.8
233.19077	3.2
237.16443	6.6
239.18076	2.1
241.19569	2.4
251.18063	2.6
253.19550	2.6
255.21126	4.1
265.19516	3.1
267.21057	2.7
277.19730	2.3
295.24179	2.3
310.22382	2.0
316.54727	2.0
319.24164	2.6
335.27478	6.4
389.32309	8.5
407.33221	100.0
408.33731	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	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.05519	9.5
57.07063	3.5
59.86968	1.7
65.03920	1.9
67.05508	13.5
67.91969	1.4
69.07076	11.3
69.39204	13.0
79.05490	12.5
81.07063	29.6
82.34082	1.6
83.08624	6.5
83.52612	1.6
91.05487	14.7
93.07050	25.9
95.08611	43.0
97.06533	1.8
97.10165	4.0
98.21511	3.0
99.08096	5.4
105.07041	33.3
107.08599	38.5
109.06537	2.4
109.10174	21.7
112.20982	1.9
117.07016	6.3
119.08591	52.9
121.10151	28.6
123.08085	3.2
123.11712	10.8
128.06212	3.2
129.07033	4.6
130.07796	2.2
131.08572	22.0
133.10139	36.6
135.08095	2.4
135.11687	16.2
137.09622	2.3
137.13300	2.0
137.78230	2.0
138.05173	1.7
139.40598	1.8
141.07101	2.1
142.07785	8.5
143.08585	16.3
144.09363	3.7
145.10124	37.9
147.11711	15.5
148.35596	1.7
149.09663	3.9
149.13258	9.9
151.11142	2.6
155.08582	5.8
156.09380	7.6
157.10130	27.1
158.10880	4.0
159.11725	37.3
159.13026	2.1
161.13289	11.2
163.11205	1.9
163.14816	8.4
169.10139	7.3
170.10959	7.7
171.11674	23.8
173.13275	22.9
175.14853	15.9
177.16385	14.2
179.52989	1.6
182.10980	2.1
183.11761	11.3
185.13290	24.5
187.14839	58.7
188.15204	1.8
189.16412	12.4
191.14282	2.0
195.11813	3.0
197.13281	15.8
199.14824	22.3
201.16403	31.8
203.18010	5.0
205.15912	15.0
205.19524	3.0
207.17578	4.2
209.13269	5.3
211.14839	6.4
213.16388	36.6
215.18004	6.9
219.17490	3.0
221.13301	2.5
223.14931	2.9
225.16437	4.1
227.18013	11.2
229.15878	2.9
229.19571	2.7
231.17633	3.0
235.14751	2.0
237.16397	3.5
239.18073	4.8
241.19557	4.2
243.17596	1.9
243.21156	2.8
251.17944	3.9
253.19493	5.5
255.21193	3.2
267.21164	2.5
274.22290	1.9
277.19550	1.9
279.21323	2.6
281.22763	2.1
293.22891	3.1
305.22763	2.1
319.24350	2.8
335.27451	5.4
389.32153	15.1
407.33148	100.0
408.33484	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	407.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81908	1.1
56.59390	1.1
73.87804	1.1
80.47327	1.1
81.05190	1.1
82.46729	1.0
92.05003	1.3
97.06528	1.8
98.21522	4.0
110.06014	1.3
113.91691	1.2
120.04450	4.5
122.06048	1.3
134.69579	1.3
138.05499	4.6
152.07057	1.4
178.05017	9.5
188.03445	12.6
192.06464	1.4
196.06059	3.9
199.08606	1.9
206.04491	2.0
209.10870	1.2
211.08636	2.5
213.10100	1.6
218.76094	1.2
223.08684	5.0
225.10249	2.6
227.08189	15.8
229.09686	1.8
237.10248	11.6
239.08195	1.9
239.11755	4.5
241.09760	11.4
243.11345	1.5
245.04631	1.3
245.09221	4.9
251.08156	11.8
253.09569	2.3
255.07663	6.2
255.11212	2.7
265.09720	16.3
266.07941	1.8
266.10477	2.2
267.11285	4.2
268.09775	2.4
269.09241	38.2
271.07230	1.2
273.08707	9.0
279.07639	19.1
280.08237	2.3
283.10709	6.6
284.09180	3.1
285.12299	2.5
287.10144	3.9
293.09216	21.2
295.10779	3.3
297.08725	50.3
298.09317	2.6
302.10159	2.1
311.10278	12.1
313.11859	4.6
314.10251	3.8
315.09799	25.2
321.08774	11.5
325.11871	7.7
327.13278	1.7
329.11325	6.6
330.09851	1.7
333.10791	19.9
339.09790	33.9
343.12906	7.7
357.10892	15.8
358.09177	2.2
371.12402	16.4
375.11951	5.4
389.13452	100.0
390.12454	3.6
407.14587	2.1
417.10931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03763	0.5
53.95919	0.5
55.05510	3.0
57.03439	5.7
57.06839	0.7
57.07079	9.5
59.57370	0.5
62.08393	0.5
63.87699	0.7
67.05516	3.9
69.07076	5.2
69.28123	4.0
71.08640	5.6
71.27589	0.6
79.05498	3.5
81.07059	9.9
83.08614	3.4
85.10184	2.0
91.05493	4.1
93.07048	6.3
94.98993	0.8
95.04964	0.7
95.08612	13.4
97.10175	1.2
99.08105	1.4
100.60845	0.5
105.07034	6.1
107.08588	10.8
109.10162	8.4
111.08063	0.8
113.00021	100.0
115.05438	0.6
117.07015	1.7
119.08585	12.6
121.10142	8.8
123.08072	0.8
123.11716	3.5
129.07011	1.1
131.08568	7.2
133.10150	7.8
135.11662	5.4
137.09602	1.0
137.13280	1.0
139.01559	0.6
141.06989	0.6
142.07809	1.0
143.08533	4.0
145.10118	8.7
147.11626	3.4
149.13290	3.2
155.08572	1.4
156.09344	1.3
157.10135	5.4
159.11719	7.5
161.13245	2.6
163.14819	5.4
169.02617	97.2
169.10063	2.5
170.02966	0.7
170.10915	1.2
171.11722	3.4
173.13252	4.3
175.14868	2.6
177.16359	3.1
181.10130	0.7
183.11635	2.7
184.12575	0.7
185.13327	4.2
187.14821	10.8
189.16344	2.6
191.17929	3.6
194.75299	0.6
195.11726	1.5
195.81966	0.6
197.13300	1.8
199.14839	4.1
201.16374	7.2
203.14301	0.6
203.18060	1.0
205.15901	1.3
207.17453	0.8
209.13210	1.0
211.14850	1.7
213.16386	4.0
215.14337	0.8
215.17905	2.6
217.19438	0.6
223.14848	0.8
225.16443	1.2
227.17976	1.7
229.15787	0.9
229.19426	0.9
239.17816	1.0
241.19568	1.5
245.19029	0.7
251.18018	1.2
253.19548	2.4
255.21120	0.9
265.19620	1.2
267.21121	1.2
269.22705	0.7
281.22537	0.7
311.23572	0.7
319.24191	1.2
321.25534	0.7
335.27386	0.8
337.25259	1.3
350.44983	0.6
389.31958	2.5
394.48547	0.6
407.21704	0.8
407.33099	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26311	25.4
69.26721	12.0
75.51123	4.2
79.05490	16.8
81.07063	24.3
85.02927	4.8
91.05455	4.8
93.07023	11.0
95.08605	9.9
105.07037	7.4
107.08591	68.4
109.06512	7.1
111.62149	4.4
116.83819	4.2
119.08618	5.5
121.10136	20.2
133.10107	4.0
135.11707	6.9
155.24249	4.1
161.13303	11.7
163.14865	10.1
167.07030	5.6
168.07365	5.1
179.14322	100.0
191.14352	26.6
196.21133	4.4
209.15305	25.9
215.68893	3.7
317.01309	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
55.05500	9.1
57.07074	9.4
59.50566	3.8
67.05503	6.5
69.03423	8.0
69.07063	13.7
70.02217	13.9
71.52686	3.9
79.05486	20.9
81.03393	4.3
81.07062	59.9
83.04992	42.6
83.08628	10.4
85.02888	8.1
91.05483	8.6
93.07038	17.0
95.08589	13.4
97.02875	6.0
97.06535	10.4
98.21423	4.3
105.07038	10.4
107.08602	45.0
109.06525	84.9
109.10139	12.6
111.08079	7.8
112.74302	3.5
119.08598	6.4
121.02869	9.2
121.09338	5.7
121.10153	73.0
123.11695	12.3
124.03948	4.4
125.09640	17.2
127.03912	3.9
131.08530	6.8
133.10123	17.0
135.08076	10.5
135.11731	8.7
137.05965	7.6
137.13264	9.1
145.04921	4.5
147.11766	4.7
149.13261	21.4
151.11227	6.7
153.09103	23.5
163.14861	42.9
167.07097	4.7
167.14290	13.0
173.13261	11.6
181.04976	6.3
181.15837	21.3
187.26468	3.4
188.03438	4.1
189.05551	4.1
191.14299	20.3
197.21715	4.8
209.15384	100.0
244.10001	3.6
248.88165	3.6
259.11063	3.9
265.09698	4.1
269.09192	6.8
281.69995	4.0
293.09363	8.5
297.08673	10.8
315.09756	5.0
352.44690	4.2
371.20599	4.9
389.13431	15.5
399.75089	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.3
55.05503	14.5
57.03419	5.3
67.05518	8.5
68.00510	4.6
69.03419	17.9
69.07059	18.9
71.04986	22.1
79.05492	24.2
81.07072	44.7
83.04994	7.2
83.08613	8.5
85.02906	33.0
85.06542	7.0
91.05489	10.3
93.07037	16.2
95.04971	7.6
95.08598	41.9
97.02908	5.7
97.06524	7.5
98.21578	8.8
99.04465	70.6
101.06020	13.9
105.07043	31.7
107.04956	6.3
107.07898	5.5
107.08604	100.0
109.02856	4.9
109.06512	13.6
109.10149	20.5
111.52457	4.6
113.06019	5.8
113.30585	4.2
115.07510	5.5
119.08554	22.0
121.06541	4.7
121.10146	48.1
123.08036	8.6
127.03914	5.4
131.08556	9.8
133.10130	33.0
135.08041	14.2
135.11691	13.5
139.11197	7.8
145.04895	6.2
145.10014	5.0
147.11653	8.1
149.13304	7.0
151.11163	8.0
161.13251	27.3
163.14812	17.1
165.12770	16.9
173.13319	21.4
179.14307	93.6
181.05002	8.6
191.14284	70.9
193.74782	4.7
197.15428	26.0
209.15364	87.2
227.16383	12.1
238.22282	4.6
406.25946	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	407.068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92430	3.0
56.96332	4.3
56.96570	34.9
58.96057	3.6
58.99861	5.4
61.02906	4.2
68.98286	6.3
69.03423	5.3
70.98109	4.4
70.99864	16.8
71.04985	4.0
71.49004	5.0
73.01420	7.7
73.02911	3.8
77.00922	3.7
81.03424	4.1
82.34967	3.3
82.99840	8.2
84.96033	12.1
85.01444	5.7
85.02901	10.6
91.02454	5.6
92.97748	3.6
94.99842	5.6
97.01400	6.4
97.02892	8.9
98.97592	54.8
101.00220	3.9
101.00885	70.6
103.00664	3.8
103.02431	4.8
105.04044	3.1
107.24889	3.4
108.97760	3.7
110.97562	35.9
112.99142	7.5
113.00868	27.5
115.02444	33.3
116.98627	6.2
117.04012	8.0
119.01919	54.7
125.00907	3.7
126.98780	47.1
127.02393	7.8
128.98605	26.6
129.00305	5.1
129.03987	6.5
131.01894	43.2
132.12354	3.0
133.03467	33.9
135.05031	6.6
137.00899	5.1
137.02930	5.3
138.98755	4.0
139.02388	4.1
140.98636	6.2
143.00160	9.4
143.01894	31.4
144.99828	65.7
145.03468	20.4
146.99602	4.5
147.01447	8.2
147.05043	4.5
149.02959	32.0
151.04547	4.0
152.98546	8.1
154.98251	6.6
155.01898	31.2
156.99843	11.7
157.03496	11.1
158.99701	11.6
159.01385	21.9
159.05005	24.4
161.01796	3.1
161.02995	26.7
163.00887	5.4
163.02576	3.2
163.04500	10.5
167.04114	3.9
168.99800	24.1
169.04532	3.6
170.98409	3.6
170.99699	14.1
171.01434	14.4
171.05023	31.8
172.99356	37.2
173.01398	5.8
173.02898	26.1
173.06552	4.7
173.91714	3.3
175.00902	9.2
175.04514	4.5
177.00861	6.1
177.02460	43.6
181.05646	3.6
182.99734	11.0
183.05125	3.5
184.99411	4.8
185.01266	3.8
185.02965	10.6
187.00926	40.8
187.02522	6.2
187.04494	6.9
189.00879	5.4
189.02487	17.4
189.06059	15.6
191.00360	11.8
191.02237	5.0
191.04068	9.0
195.03471	3.8
196.99330	10.1
199.00883	11.3
201.00726	18.6
201.02499	8.0
201.06111	12.9
203.04007	17.8
203.05745	4.7
205.00201	5.8
205.01968	60.7
207.03568	7.9
209.02893	3.5
212.98807	24.9
215.00322	15.3
217.01933	14.4
219.01788	32.1
219.03644	6.8
221.05052	32.4
223.02991	12.9
227.00388	33.0
229.01981	9.5
230.98018	6.7
230.99898	9.2
231.03513	10.7
233.03438	5.9
237.02724	16.2
240.98282	5.4
242.99838	6.4
243.07092	5.2
245.01501	23.9
245.05081	9.3
247.03104	19.8
248.99219	13.9
251.04515	21.7
254.99896	53.5
257.01443	10.7
259.02942	13.0
259.06345	5.5
261.02692	4.5
261.08224	26.7
265.04248	3.5
267.00375	4.7
269.05368	5.7
271.03024	3.9
273.00909	42.7
273.03754	5.2
275.02469	10.2
277.04129	5.0
279.03632	5.5
279.09293	58.6
282.99307	14.7
285.00803	9.5
287.02557	31.3
291.09393	9.9
301.00443	39.8
303.01978	4.9
305.03580	20.9
307.08765	10.5
315.01993	100.0
316.01871	4.8
317.03494	7.2
319.01453	5.3
333.03046	79.2
343.01675	6.1
347.04074	3.1
347.08408	24.2
375.03018	7.8
379.11130	4.0
407.05054	52.8
407.10089	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	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.9
55.05511	5.0
57.03424	11.0
57.07065	4.4
58.99585	13.9
60.40248	3.9
60.66906	4.4
61.35517	4.7
63.59774	4.4
65.66399	4.8
67.05492	17.7
69.03423	5.9
69.40717	37.0
71.04982	13.0
76.02217	17.1
79.05489	17.2
81.03409	5.5
81.07059	26.2
84.04507	26.7
85.02897	21.1
85.06030	5.7
85.06542	72.7
85.37109	4.3
86.99045	7.1
87.02693	8.9
91.05490	12.2
93.07042	14.0
95.04940	5.6
95.08626	8.2
97.06528	5.6
98.20777	9.5
99.08082	8.4
105.07027	13.1
107.04913	6.9
107.08569	12.6
107.67301	4.9
111.04436	10.0
113.04242	5.9
116.01690	31.1
119.08587	15.3
121.06573	4.5
121.10166	16.8
130.05031	11.4
131.08557	45.4
134.07443	5.0
137.09727	4.8
144.01193	9.1
145.10124	20.7
147.07991	4.6
149.09608	45.8
156.08418	20.2
156.10190	7.9
157.06837	8.5
162.02206	18.8
163.11189	14.0
165.67998	6.2
167.07018	6.6
167.10689	20.5
167.59177	4.6
168.15552	4.6
173.09636	5.3
174.09491	10.8
179.04860	15.0
191.10660	58.8
208.85042	5.1
209.11736	78.9
216.06667	6.5
227.10587	5.9
227.12805	94.2
259.08572	8.0
259.11139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
53.39151	2.0
55.05517	15.3
64.36303	2.4
67.05511	3.4
69.03434	14.8
70.48515	6.1
78.03461	20.1
79.05473	2.2
80.05017	3.2
81.03416	36.6
81.07046	4.2
83.04995	13.1
83.08640	11.1
85.02892	8.3
85.06525	2.0
93.07084	2.8
95.08578	3.7
96.04460	2.7
97.02906	10.5
97.06515	2.8
98.20928	2.5
99.04446	5.7
105.07036	2.6
106.02243	4.4
106.02919	62.0
107.08570	6.0
109.02873	19.8
109.10159	6.0
111.08064	4.4
119.08563	2.4
121.10138	2.6
123.11700	3.6
124.03960	100.0
125.09631	2.8
127.03882	6.8
131.08463	2.4
133.10124	4.9
151.11179	17.3
167.07040	3.0
167.14326	20.3
191.14261	3.8
209.15373	64.0
224.76305	2.2
227.16333	3.0
250.07095	34.8
268.08228	28.0
341.33984	2.5
370.25317	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.373
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05516	7.2
57.06838	1.1
57.07083	11.9
60.90000	0.7
67.05495	1.6
69.03441	0.8
69.07077	12.0
70.74136	1.0
70.74490	1.4
71.08633	7.9
79.05486	1.6
81.07067	4.1
83.01349	9.4
83.04972	0.8
83.08624	6.5
85.02885	0.8
85.10179	2.5
91.05476	0.9
93.07039	2.7
95.08620	4.2
97.06541	3.3
97.10191	5.4
105.07052	1.6
107.08633	4.3
109.06511	1.5
109.10149	2.4
111.08089	3.7
111.11742	1.6
119.08524	1.0
121.06484	2.1
121.10149	3.1
123.08065	3.1
125.06001	6.8
125.09655	4.8
127.07554	2.4
133.10207	0.9
133.50862	0.8
135.08060	0.8
135.11707	2.5
137.09636	2.3
139.07552	24.2
139.11176	4.2
149.09662	0.9
151.11223	5.3
153.09126	5.8
153.12761	2.3
159.11688	1.6
161.31995	0.6
163.11134	0.8
165.12828	0.9
167.10699	7.1
167.14355	0.8
173.13367	1.3
175.61723	0.6
177.12733	1.0
181.12230	9.5
191.14474	1.0
195.13838	8.6
209.15356	6.0
223.16968	3.6
237.18515	2.9
251.20070	1.9
259.86990	0.7
261.44666	0.7
265.21622	2.8
279.23212	2.9
293.24811	1.9
307.26309	1.5
335.29346	1.3
349.31006	1.8
387.36163	2.5
405.37299	100.0
406.37836	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01871	2.5
55.05511	1.3
56.05040	7.2
57.03434	3.3
58.99591	10.6
68.05019	1.5
69.07065	1.4
69.57265	4.5
69.57675	2.0
72.08160	0.8
73.01144	1.7
74.00658	2.0
75.26105	0.8
76.02231	20.4
76.03979	2.3
79.05477	4.1
80.05048	1.1
81.07059	18.0
83.06104	1.8
84.04507	23.3
85.01126	3.2
86.00629	4.0
86.99063	7.6
87.02708	6.2
88.02200	2.2
93.07067	1.0
94.06590	1.3
95.08577	2.9
97.01109	1.2
97.06508	1.8
98.09701	11.1
98.20718	1.2
99.05541	1.5
99.08076	5.0
102.05553	6.1
105.07027	1.2
110.09673	1.6
112.03961	4.8
113.04235	7.1
115.05801	1.9
116.00906	1.9
116.01683	24.1
122.09673	1.8
123.08044	1.1
127.05783	1.8
129.06578	2.5
130.04974	7.7
130.06873	5.3
130.08611	1.6
139.05751	2.7
142.03201	2.8
144.01141	9.5
144.96791	0.9
145.06017	1.3
148.31650	1.0
156.08418	21.3
156.10193	11.7
157.06824	8.5
162.02219	23.5
170.02702	1.0
174.09464	14.6
179.04829	10.1
182.21030	0.9
183.50980	0.9
187.05336	1.2
207.70782	0.9
210.11226	3.4
215.05101	1.2
216.06886	4.6
233.05894	1.8
242.08453	1.2
245.05844	1.6
259.11130	100.0
260.11728	1.3
266.99292	0.9
277.12424	1.2
285.12476	1.4
313.12122	4.2
331.13181	6.6
388.15259	1.5
389.13858	1.1
406.16409	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	405.3728
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05511	7.9
57.03431	1.3
57.07079	10.6
60.65330	0.9
67.05504	1.7
69.07070	11.6
71.05891	1.3
71.06223	1.4
71.08646	6.1
79.05485	1.6
81.07053	3.5
83.01347	9.8
83.08624	7.5
85.02866	0.8
85.10185	2.0
91.05492	1.3
93.07033	2.6
95.08607	3.7
97.06533	4.2
97.10149	5.4
105.07001	1.2
107.08589	3.9
109.05337	0.7
109.06497	1.3
109.10165	1.1
111.08070	4.0
111.11721	1.4
118.98393	0.9
121.06509	2.2
121.10148	3.3
123.08060	3.1
123.11685	1.2
125.06003	4.3
125.09623	5.7
127.07550	3.9
135.08093	1.4
135.11707	1.8
137.09613	3.3
139.07544	41.9
139.11195	3.0
145.10233	0.8
149.13228	0.8
151.11200	4.0
153.09143	6.3
153.12747	2.1
165.12865	1.0
167.10667	6.6
167.14355	1.2
169.02594	1.0
181.12247	8.7
195.13799	7.2
209.15500	4.3
211.19839	0.9
223.16933	3.5
237.18564	2.1
251.20117	1.8
265.21674	1.4
279.23257	2.5
293.24783	1.0
307.26389	1.1
342.49353	1.0
387.36163	1.6
405.37292	100.0
406.37686	2.9
408.98871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.05514	7.7
57.07074	2.9
67.05511	9.9
69.03425	1.4
69.07077	12.1
71.08655	1.2
79.05501	8.6
79.33319	0.7
81.07060	14.9
83.05001	1.7
83.08646	4.7
85.06551	1.6
91.05489	11.8
93.07050	18.4
95.04958	1.3
95.08614	26.1
95.42029	1.0
97.06534	1.1
97.10168	2.1
98.21517	2.3
99.08109	11.0
103.05518	1.5
105.07037	26.0
107.04994	1.0
107.08604	23.7
109.06512	1.9
109.10175	15.1
111.08103	1.4
117.00199	0.9
117.07019	6.5
119.04977	1.1
119.08588	41.5
121.06558	1.5
121.10155	21.3
123.08044	1.5
123.11700	8.8
125.09647	1.0
128.06236	3.4
129.07007	6.3
130.07838	1.9
131.08588	21.7
133.09134	1.7
133.10144	32.0
135.11700	12.0
137.06026	2.4
137.09601	1.0
137.13245	2.0
141.06966	2.5
142.07805	5.6
143.08572	19.0
144.09352	3.0
145.10129	30.2
147.04434	1.6
147.08023	1.5
147.11702	25.9
147.12819	1.8
149.09673	1.1
149.13312	4.5
151.11220	2.9
155.08583	7.1
156.09338	6.7
157.10146	28.5
158.10939	3.8
159.11702	27.1
160.12315	0.9
161.13261	11.4
163.11162	1.8
163.14844	4.1
165.06979	0.9
165.12790	4.7
167.07117	1.0
167.08507	2.1
168.09341	2.1
169.10150	11.5
170.10881	7.1
171.11693	20.2
171.56187	0.9
172.12465	1.5
173.13292	21.8
175.14841	8.8
177.12836	2.2
177.16444	4.6
177.42981	0.9
179.08559	1.6
179.14348	1.0
180.09314	1.2
181.05005	0.9
181.10176	5.3
182.10957	4.5
183.11713	20.5
184.12482	2.0
185.13277	27.4
185.14899	1.7
187.14848	18.5
188.15331	1.2
189.16418	8.9
191.14461	1.8
193.10196	3.6
194.10944	1.4
195.11752	7.1
196.12488	2.9
197.13284	14.8
198.13930	0.9
199.14842	19.2
201.12799	1.6
201.16414	10.6
203.14369	2.2
203.17883	2.1
205.15886	4.6
206.11044	0.9
207.11716	6.0
208.12502	2.1
209.13254	9.6
210.14046	1.9
211.14819	11.5
213.16353	7.6
215.14365	3.0
215.18019	5.5
217.15916	2.0
217.19519	1.0
219.11823	2.1
221.13226	5.1
222.13969	1.6
223.14825	6.8
224.15588	1.1
225.16376	8.0
227.17953	5.4
229.15895	1.7
229.19586	1.2
231.17485	3.2
232.12527	1.4
233.08142	0.9
233.13326	2.2
235.14861	5.7
236.15599	2.1
237.16380	7.1
239.18001	5.8
241.15915	2.0
241.19489	4.5
243.17526	1.3
247.14896	1.9
248.15511	1.3
249.16432	3.5
250.17253	1.1
251.17929	7.9
252.18761	1.0
253.19524	10.6
255.17487	1.1
255.21159	2.5
257.19119	2.7
259.20572	1.9
261.16513	2.6
263.17972	3.7
265.19577	11.0
267.21164	2.8
269.19131	1.7
275.17773	1.0
277.19409	4.3
279.21219	3.2
281.19073	1.3
283.20609	11.3
289.19589	1.7
291.21088	2.9
293.19354	1.1
293.22620	1.8
295.20602	9.3
297.22266	1.6
303.21161	2.6
305.22699	1.5
307.20657	1.2
309.22327	2.3
317.22522	4.1
319.24045	1.8
321.22229	1.8
321.25723	1.8
331.24146	1.9
333.25793	13.0
335.23532	5.0
349.25232	2.8
363.26825	1.5
387.26135	1.7
387.30573	7.6
390.28885	1.1
405.26877	7.9
405.31589	100.0
406.31976	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.05512	6.4
57.07065	3.5
67.05519	8.9
69.07075	8.7
69.75226	4.9
71.01527	1.2
79.05501	6.7
81.07064	14.1
81.77721	0.9
83.04965	2.4
83.08623	4.4
85.06549	1.1
91.05495	10.3
92.65600	0.9
93.07051	15.4
95.08614	25.0
97.06554	1.7
97.10197	1.6
99.08101	12.6
105.07040	27.4
107.08599	23.9
109.06519	1.7
109.10161	15.7
111.08064	1.3
117.07053	6.2
119.08586	50.0
121.10148	19.5
123.08044	1.9
123.11716	7.2
125.09655	1.0
128.06241	2.4
129.07047	5.0
130.07784	2.2
130.50981	0.9
131.08571	38.0
132.08937	0.9
133.10138	31.6
135.08075	9.7
135.11693	8.8
137.09601	2.3
137.13277	1.3
142.07770	5.3
143.08568	18.0
144.09315	2.7
145.10136	41.5
147.08041	1.2
147.11691	18.3
149.09621	3.3
149.13214	6.7
151.14935	1.1
154.07813	1.4
155.08582	7.1
156.09364	6.0
157.10146	22.1
158.10902	3.4
159.11694	22.8
161.09650	6.0
161.13280	11.5
163.11206	2.3
163.14818	5.5
167.08531	1.8
168.09402	2.2
169.10156	11.2
170.10928	8.5
171.11705	19.2
172.12494	2.1
173.09695	1.6
173.13284	32.5
175.11212	7.2
175.14841	12.5
177.12740	2.5
177.16383	2.8
181.10149	4.4
182.10927	1.7
183.11696	14.2
184.12445	2.3
185.13260	38.6
187.14836	38.4
189.12733	1.3
189.16405	23.7
191.14331	2.4
193.10176	2.4
195.11649	5.7
196.12457	2.3
197.13240	12.3
199.14827	35.3
201.12773	2.9
201.16367	13.9
203.14325	9.4
203.18022	2.8
205.15863	2.9
207.11636	2.4
207.17459	2.5
209.13298	7.3
211.14850	11.9
213.16347	15.6
215.14230	1.3
215.17941	7.4
217.15953	2.8
221.13261	2.7
222.14034	1.7
223.14761	5.2
225.16414	7.4
227.18008	3.8
229.15909	3.8
231.17493	6.1
233.13182	2.1
235.14806	2.8
237.16299	4.8
239.17964	3.8
241.19527	3.7
243.17513	2.7
247.14912	1.8
249.16428	2.5
250.17232	1.2
251.17996	4.2
253.19560	3.9
255.17465	2.0
257.19025	1.5
261.16357	2.6
263.17926	3.2
265.19611	4.4
267.21216	2.5
269.19086	1.1
275.17935	2.0
277.19531	1.8
279.21201	1.1
289.19461	1.3
291.21188	1.8
293.22736	1.7
297.22195	1.7
303.21011	1.0
309.22104	1.9
311.23563	1.4
317.23050	2.2
321.22162	1.7
323.23666	1.2
331.24213	1.9
333.25775	5.9
335.23624	3.6
339.53485	1.3
347.27325	1.4
349.25345	2.3
363.26694	1.4
387.30542	9.9
405.27539	3.9
405.31558	100.0
406.31760	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	405.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.3
57.07074	1.8
59.05006	1.1
65.03934	2.0
67.05507	8.9
69.07072	11.1
69.72789	2.6
69.73193	4.8
79.05498	9.3
81.03407	1.2
81.07062	16.6
83.04974	1.2
83.08618	5.7
85.02930	1.3
91.05491	13.4
93.06488	1.5
93.07050	19.3
95.05006	1.6
95.08608	24.6
97.06581	1.4
97.10135	1.3
99.08102	13.7
103.05493	1.4
105.07034	24.1
107.04956	2.7
107.08598	27.5
109.06460	1.4
109.10168	17.9
115.05473	3.2
117.07012	6.9
119.08585	42.3
121.06501	2.4
121.10155	21.5
121.91615	1.0
123.08075	1.9
123.11715	7.7
125.06100	1.2
128.06213	1.9
129.07019	6.4
130.07777	1.6
131.08571	28.0
133.06535	1.4
133.10136	35.2
135.08047	1.5
135.11690	12.0
137.06017	6.6
137.13258	1.8
141.06996	2.7
142.07808	6.1
143.08563	20.5
144.09406	2.4
145.06503	1.3
145.10126	27.5
147.08051	1.6
147.11693	28.4
149.09628	1.6
149.13216	6.1
151.03891	2.5
151.11238	1.2
153.01834	1.2
155.08545	7.6
156.09349	6.7
157.10144	30.1
158.10959	1.9
159.11711	27.5
161.06082	1.4
161.09663	1.1
161.13272	11.7
163.11198	2.0
163.14842	6.1
165.12808	5.3
167.07053	3.8
167.08588	3.2
168.09344	1.9
169.10110	10.5
170.10886	7.3
171.11685	21.7
172.12538	1.4
173.13268	22.2
175.11165	1.3
175.14792	6.8
177.12758	1.6
177.16408	3.9
179.07054	1.5
179.08557	1.5
181.05011	8.3
181.10106	5.0
182.10847	3.5
183.11729	18.1
184.12390	2.8
185.11639	2.3
185.13274	37.7
187.14822	20.3
189.16396	14.0
191.17873	1.1
192.09311	1.3
193.10143	2.7
194.11005	1.3
195.11714	7.9
196.12508	3.3
197.13280	15.0
198.14000	1.3
199.14839	29.3
201.16376	11.2
203.07048	1.4
203.14339	3.3
203.18002	3.5
205.15897	3.7
207.11742	5.4
207.17435	2.2
209.13303	10.4
210.14082	2.0
211.14847	10.6
213.12817	1.1
213.16302	8.6
215.14331	4.1
215.17981	5.2
217.15845	2.7
218.10982	1.2
220.12346	1.8
221.08177	1.2
221.13254	4.5
222.13898	2.3
223.14835	7.0
225.16388	7.8
227.14305	1.3
227.17946	4.3
229.15967	1.3
231.17363	1.9
233.08179	3.6
233.13287	2.1
235.14850	4.9
237.16347	6.3
239.17947	5.9
241.19565	3.7
243.17401	1.3
247.14827	1.8
249.16515	2.5
250.16846	2.1
251.17970	8.2
253.19533	10.8
255.17413	1.3
257.19058	2.7
261.16422	2.6
263.18011	4.0
265.19537	12.1
267.21017	3.1
269.19037	1.7
275.17975	2.5
276.57663	1.2
277.19449	2.7
279.21121	2.7
281.18985	1.4
283.20581	13.9
291.20969	2.7
293.22653	1.7
295.20584	9.5
297.22006	2.0
303.21057	1.5
305.22617	1.6
309.21988	3.1
317.22720	3.5
319.24313	1.4
321.22067	3.9
321.25497	1.2
325.08487	1.2
331.23978	1.5
333.25842	11.6
335.23624	5.4
345.25452	1.5
349.25174	2.4
357.67538	1.2
363.26740	2.0
387.14539	2.2
387.25330	7.2
387.30402	10.1
405.09772	1.6
405.26318	50.8
405.31522	100.0
406.26691	2.1
406.31686	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05513	7.4
57.07062	1.9
67.05502	10.4
67.79503	1.8
69.07063	10.3
69.45366	5.7
69.45786	4.6
79.05504	9.8
81.07065	18.4
82.40079	1.4
83.08612	3.7
88.10516	1.6
90.33223	1.3
91.05492	14.4
93.07045	23.6
95.04996	1.4
95.08619	25.6
97.10126	1.8
99.08107	2.9
103.05508	1.4
105.06322	2.3
105.07035	45.8
107.08593	27.9
109.06533	1.9
109.10132	12.7
113.00018	6.1
117.07033	6.7
118.43538	1.6
119.08595	34.0
121.10152	29.0
123.08067	1.6
123.11716	6.2
128.06238	1.7
129.07022	4.4
130.07784	1.6
131.08583	28.3
133.10138	25.8
135.08031	5.0
135.11667	8.4
137.09665	3.2
137.13338	1.6
142.07773	2.4
143.08543	11.5
144.09344	2.7
145.10130	37.6
147.11705	15.8
149.09647	11.8
149.13269	8.8
151.11217	2.8
154.25255	1.5
155.08563	3.5
156.09320	2.6
157.10115	13.4
158.10948	2.6
159.11708	22.4
161.09634	3.8
161.13264	10.8
163.11124	2.1
163.14851	8.8
169.02632	3.7
169.10139	5.2
171.10371	2.0
171.11661	10.9
172.12488	2.1
173.13264	23.9
175.11205	3.1
175.14822	23.3
177.12718	7.8
177.16408	6.6
181.10184	2.3
183.11687	6.7
185.13268	11.0
187.14827	46.3
189.12732	3.0
189.16423	9.2
191.14310	2.9
195.11670	2.4
197.13252	5.1
199.14792	10.1
201.16373	22.7
203.17987	2.6
205.15900	4.6
209.13322	3.6
210.13809	1.5
211.14864	5.6
213.16327	9.1
215.17984	7.2
217.15959	7.4
221.13393	2.1
223.14925	1.9
225.16431	4.3
227.17999	5.3
229.15868	3.4
229.19601	3.2
231.17419	6.7
235.14867	2.5
237.16428	2.6
239.17998	3.9
241.19621	2.8
249.16321	2.3
251.17917	3.2
253.19662	1.8
255.21254	2.7
257.19250	1.9
257.22415	1.6
263.17780	1.8
267.21060	3.1
269.22595	3.3
281.19254	2.1
291.21060	3.1
317.22775	2.2
331.24106	2.2
333.25693	6.1
335.23944	1.8
348.12555	1.7
349.25336	1.8
357.17844	1.7
363.26852	1.9
370.98053	1.6
377.32220	3.0
387.30493	14.0
405.31528	100.0
406.31747	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	405.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
54.55810	1.1
55.05522	7.6
57.07072	2.9
61.48840	0.9
65.03939	1.9
67.05515	10.0
67.60226	1.0
69.07074	12.6
70.71988	2.3
79.05493	7.1
81.07064	16.3
83.08618	4.9
83.63644	0.9
84.43465	1.1
85.06527	0.9
91.05479	14.4
93.07043	17.8
95.04990	1.0
95.08617	23.7
97.10190	1.5
99.08104	12.0
105.07043	22.8
107.08598	26.4
109.06480	1.5
109.10171	16.3
117.07008	5.9
119.08588	39.8
120.77134	1.1
121.06488	1.3
121.10155	19.7
123.08061	1.7
123.11721	7.4
128.06238	2.0
129.07072	3.1
130.07758	1.3
131.08572	21.2
133.10139	34.1
135.11688	10.7
137.09645	1.2
137.13300	2.8
139.11177	1.0
141.07018	3.4
142.07791	3.5
143.08566	18.2
144.09348	2.8
145.10135	24.5
146.10529	1.2
147.11702	28.0
149.09550	1.2
149.13210	5.5
151.19452	1.0
155.08582	6.8
156.09323	6.3
157.10138	29.1
158.10947	3.1
159.11703	26.7
161.13284	8.8
163.11197	1.2
163.14850	6.1
165.07104	1.4
165.12782	5.7
167.08604	3.1
168.09352	2.5
169.10135	12.8
170.10930	6.6
171.11696	19.7
172.12450	1.5
173.13289	25.1
175.14845	7.0
176.71465	1.0
177.12776	1.6
177.16393	3.2
179.08560	1.3
181.10146	4.2
182.10915	4.8
183.11705	17.9
184.12427	1.8
185.13274	31.1
187.14819	23.0
189.16397	12.0
191.14185	1.2
193.10161	3.4
194.10880	2.3
195.11699	7.0
196.12526	2.3
197.13274	16.1
199.14857	25.6
201.12744	2.0
201.16414	11.8
203.14235	1.6
203.18063	1.7
205.15903	3.9
205.19679	1.1
207.11684	5.2
207.17439	1.6
208.12451	1.9
209.13257	9.0
210.14026	1.2
211.14821	10.7
213.16422	10.5
215.14377	4.3
215.17900	4.8
217.15948	2.6
220.12292	1.2
221.13283	4.6
222.14099	1.1
223.14819	7.1
225.16393	8.7
227.17874	5.8
229.15977	2.0
229.19601	1.5
231.17511	1.5
233.13350	1.8
235.14854	4.9
236.15514	1.3
237.16380	6.6
239.17981	6.7
241.15808	1.7
241.19522	4.2
247.14813	2.7
249.16406	4.3
251.17972	7.2
253.19594	9.8
255.17456	1.9
255.20952	1.1
257.19083	2.6
261.16397	1.5
263.18002	3.1
265.19537	9.1
267.17422	1.3
267.21136	3.2
269.19058	2.5
275.18054	2.1
277.19598	3.6
279.21124	2.9
283.20593	10.9
291.21045	2.4
293.18954	1.2
293.22482	1.3
295.20584	9.7
297.22308	1.8
305.22775	1.1
309.22238	2.5
317.22684	3.1
321.22098	1.8
321.25955	1.3
333.25842	11.5
335.23544	5.0
347.07672	1.3
349.25140	1.7
363.26767	1.7
375.07089	2.5
387.30383	8.7
390.29266	2.1
405.11792	4.0
405.27365	4.6
405.31573	100.0
406.32043	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.05519	8.9
57.07058	2.4
65.03918	1.4
67.05188	1.2
67.05512	13.0
67.58351	0.8
69.03421	0.9
69.07072	12.3
70.07912	3.9
79.05490	8.9
81.07063	17.0
83.04998	1.4
83.08613	5.6
84.08122	3.9
85.06538	1.2
91.05484	12.8
93.07048	17.6
95.08614	27.6
97.06505	2.5
97.10198	2.0
98.20888	1.2
99.07607	0.9
99.08110	12.6
103.05457	1.4
105.07045	26.4
107.08601	29.6
109.06516	2.4
109.10157	19.1
115.05405	1.7
116.06197	1.0
117.07033	8.3
119.08590	45.8
121.10146	19.8
123.08060	2.6
123.11694	9.3
125.09605	1.6
128.06210	3.1
129.06989	5.6
130.07791	1.7
131.08585	25.9
133.09119	1.8
133.10141	38.7
135.08083	1.7
135.11693	11.4
137.09561	0.9
137.13268	1.9
141.07024	2.4
142.07805	5.4
143.08575	21.7
144.09314	2.5
145.10138	29.7
147.08081	1.3
147.11703	30.9
149.09546	1.2
149.13274	5.9
151.11203	1.8
154.07809	1.1
155.08540	5.8
156.09360	8.1
157.10147	30.4
158.10901	3.7
159.11703	28.2
161.13293	9.6
163.11179	2.0
163.14828	4.1
165.12762	8.2
167.08604	1.9
168.09355	3.4
169.10133	13.5
170.10936	6.3
171.10283	1.7
171.11693	25.7
172.12436	1.5
173.13269	23.6
175.14838	9.0
177.12721	2.4
177.16368	2.8
179.08522	2.0
179.14195	1.2
180.09435	1.3
181.10123	7.4
182.10982	4.6
183.11699	21.1
184.12488	2.6
185.13268	34.4
187.11153	1.0
187.14838	17.4
189.16402	14.0
191.14288	1.2
193.10136	3.4
194.10869	1.7
195.11697	6.7
196.12384	2.8
197.13281	16.0
198.13864	1.3
199.14845	26.6
200.15239	1.1
201.12723	2.6
201.16397	13.0
203.14345	2.1
203.17961	2.4
205.15895	3.3
206.10939	1.5
207.11754	5.3
207.17390	1.3
208.12503	2.1
209.13297	10.5
210.13982	2.0
211.14853	12.5
213.16362	11.6
215.14432	4.4
215.17905	6.1
217.15886	2.6
219.11703	2.1
220.12521	1.8
221.13263	4.8
222.14096	2.2
223.14801	9.4
224.15546	1.5
225.16411	8.8
227.18034	5.2
229.15776	1.5
231.17476	1.7
233.13258	1.7
235.14906	5.3
237.16351	6.7
238.17020	1.1
239.17989	6.8
241.15971	1.4
241.19403	5.0
243.17532	1.4
245.13416	1.0
247.14839	3.0
249.16418	3.7
250.17123	1.4
251.17986	10.0
253.15895	1.7
253.19548	12.7
255.21101	1.6
257.19098	2.7
259.20435	1.4
261.16470	2.5
263.17847	2.8
265.19534	12.2
267.17770	1.1
267.21118	3.3
269.19156	1.0
275.18188	1.1
277.19534	4.2
279.21011	1.9
281.19220	1.7
281.22406	1.2
283.20566	15.1
289.19559	1.4
291.21088	2.3
293.22531	1.7
295.20584	8.8
297.22043	1.4
302.45648	1.0
303.21130	1.7
307.20444	0.9
307.23898	1.1
309.22159	3.0
317.22702	4.6
321.22244	2.6
321.25745	1.7
331.24307	1.1
333.25735	11.5
335.23642	6.3
345.25867	1.0
349.25259	4.0
363.26895	1.7
377.32462	1.1
387.30508	9.9
405.26907	5.8
405.31552	100.0
406.31992	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	405.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05514	6.5
57.07067	2.0
61.46229	0.7
64.65916	0.7
64.85848	0.8
67.05502	8.2
69.03423	0.9
69.07072	8.5
71.04987	0.9
79.05491	7.9
81.06589	1.3
81.07056	18.6
83.04964	0.9
83.08607	3.7
85.06548	0.9
91.05492	10.5
93.07043	19.5
95.04970	1.9
95.08608	27.1
97.06511	1.2
97.10201	1.8
99.08090	2.1
101.67658	1.0
101.99049	0.7
105.07030	25.3
106.79838	0.8
107.08599	25.4
108.67915	0.8
109.06525	2.8
109.10168	15.6
110.47964	0.7
111.08061	2.1
115.05429	0.9
116.06235	0.8
117.07004	5.8
119.08580	28.2
121.10147	16.4
123.08076	2.8
123.11702	6.3
125.09620	2.7
128.06244	2.0
129.06999	4.8
130.07857	1.0
131.08566	25.7
133.10130	18.6
135.08073	2.0
135.11694	7.7
135.33960	0.7
137.09595	1.2
137.13293	1.9
141.07011	2.2
142.07762	3.2
143.08563	13.9
144.09296	2.5
145.10129	34.4
147.08083	1.4
147.11716	11.7
149.09656	2.0
149.13272	7.5
151.11119	1.3
155.08545	6.5
156.09349	5.2
157.10141	19.1
158.10887	2.9
159.08081	3.1
159.11688	19.6
161.13234	8.1
163.11168	1.6
163.14832	6.9
166.07939	0.8
167.08595	2.3
168.09343	0.9
169.10110	8.1
170.10892	5.5
171.11693	18.1
172.12479	1.3
173.09648	1.7
173.13271	18.8
175.14827	8.1
177.12723	1.8
177.16365	5.6
177.65105	0.9
181.10173	2.4
182.10893	2.0
183.11697	12.5
184.12531	2.2
185.13255	29.2
185.14888	1.5
186.13622	1.1
187.14828	37.2
189.12781	0.9
189.16360	7.0
191.14343	1.8
191.18044	1.2
193.10133	2.0
193.15977	1.1
195.11708	4.1
196.12447	1.0
197.13239	9.1
198.14006	1.4
199.14821	18.9
201.12718	5.3
201.16397	17.9
203.14319	2.1
203.18010	1.9
204.89500	0.8
205.15912	4.9
207.11748	1.7
207.17459	0.9
208.12337	0.9
209.13205	4.6
210.13995	1.0
211.14830	7.8
212.15442	1.2
213.12871	0.8
213.16371	9.9
215.14342	2.9
215.17941	2.9
217.15939	2.8
220.12561	0.9
221.13293	2.1
223.14807	4.2
225.16327	6.8
227.17918	6.7
229.15848	2.0
231.17459	2.7
233.13239	1.2
235.14948	2.6
237.16402	4.3
239.17995	5.6
241.15781	1.2
241.19516	2.3
243.17575	1.2
247.14722	1.3
249.16507	1.8
251.17975	2.9
253.19501	5.4
255.21159	1.6
261.16403	1.6
263.17987	2.4
265.19510	3.3
267.21072	2.4
275.18057	1.6
277.19476	2.1
279.21198	4.0
281.22672	2.3
283.20493	1.3
289.19421	1.3
291.21127	2.2
293.22577	1.7
295.20502	1.5
305.22699	1.3
307.24081	1.2
309.22107	1.9
317.22607	2.8
319.23886	1.2
321.22119	0.9
331.24222	1.7
333.25677	2.1
335.23630	1.5
345.25836	1.0
347.27356	2.3
349.25253	5.1
363.26926	1.5
377.28519	1.2
377.32599	1.3
387.25821	1.2
387.30551	9.4
388.30862	0.8
391.24939	0.8
405.27097	5.0
405.31540	100.0
406.31848	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2642
Annotation	Briarellin R
Peak:m/z	Relative Intensity
53.03949	0.4
55.05522	1.2
57.03424	0.2
57.07081	0.2
59.04999	0.2
67.05510	1.9
69.03440	0.2
69.07077	1.6
71.05002	0.3
71.49861	0.2
73.06544	0.1
77.03905	0.2
79.05500	1.8
81.07067	2.9
83.04977	0.4
83.08619	0.4
85.06548	0.3
91.05494	3.2
93.07052	7.2
95.04984	0.6
95.08620	3.5
97.06540	0.6
97.10178	0.2
99.08122	0.4
103.05500	0.2
105.04525	0.1
105.07037	4.2
107.04981	0.3
107.07879	0.3
107.08604	4.5
109.06528	0.6
109.10167	3.3
110.39185	0.1
111.08089	0.9
113.09680	0.2
115.05454	0.5
115.53880	0.1
117.07037	2.5
119.04975	0.4
119.08590	5.2
121.06522	2.1
121.10157	3.6
123.08079	0.5
123.11723	1.0
125.09623	0.2
128.06219	0.3
129.07008	0.8
130.07851	0.2
131.08588	2.8
133.06503	0.3
133.10147	4.6
135.08064	1.8
135.11723	1.7
137.06015	0.5
137.09633	0.5
137.13260	0.3
139.07550	1.2
139.11218	0.2
141.07031	0.2
142.07771	0.7
143.08582	2.0
144.09343	0.4
145.06557	0.2
145.10132	4.7
146.10304	0.2
147.04413	0.7
147.08102	0.9
147.09122	0.2
147.11710	2.0
149.06010	1.2
149.09636	0.5
149.13286	0.5
151.11200	0.5
155.08556	0.5
156.09299	0.8
157.10141	2.7
158.10933	0.3
159.08125	0.3
159.11711	2.8
161.09656	0.4
161.13280	1.2
163.07552	1.2
163.11182	0.4
163.14850	0.7
164.37582	0.2
165.05585	0.8
165.06752	0.2
165.12852	0.2
167.07095	0.7
167.08502	0.3
168.09322	0.2
169.10133	1.1
170.10950	0.6
171.08069	0.2
171.11693	2.4
172.12311	0.2
173.09674	0.4
173.13316	2.0
175.04041	0.2
175.11249	0.3
175.14813	0.9
177.12837	0.2
177.16411	0.6
179.08606	0.3
180.09309	0.2
181.04974	0.2
181.08673	0.3
181.10175	0.7
182.11005	0.3
183.11716	1.3
185.09650	0.2
185.13280	2.6
187.11214	0.5
187.14848	2.4
189.12798	0.5
189.16388	0.6
191.14343	0.2
193.10181	0.4
194.10941	0.3
195.11758	0.7
197.13258	1.0
199.11214	0.3
199.14844	2.5
201.12834	0.4
201.16428	1.2
203.14348	0.4
205.15904	1.2
207.11740	0.4
208.12465	0.2
209.13271	0.6
210.13914	0.2
211.14893	1.0
213.16376	0.7
215.14420	0.3
215.17946	0.3
217.12305	0.2
217.15926	0.3
219.11790	0.2
220.12376	0.2
221.13310	0.3
223.14883	0.4
225.16399	0.6
227.14174	0.2
227.17975	0.4
229.15753	0.2
235.14949	0.3
237.16309	0.4
239.14372	0.2
239.17937	0.5
241.16214	0.2
241.19518	0.2
247.14847	0.3
249.16393	0.3
251.18048	0.5
253.15967	0.2
253.19469	0.4
257.19199	0.2
261.16364	0.2
263.18155	0.2
265.19632	0.2
267.21127	0.3
277.19754	0.2
289.19476	0.2
317.22729	0.2
321.22141	0.3
321.25604	0.2
323.23813	0.2
349.25333	0.2
369.24130	0.3
387.25351	12.4
387.30203	0.7
388.25610	0.4
405.26416	100.0
405.31302	5.9
406.26740	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32534	3.3
53.03937	5.5
55.01872	6.6
55.05521	25.9
57.03426	5.9
57.07067	6.1
65.03934	4.7
67.05509	44.6
67.79003	2.8
69.03444	16.3
69.07076	19.2
71.50464	3.3
73.46910	2.8
79.05493	33.9
81.03424	17.8
81.07061	61.6
83.04990	4.8
83.08624	17.0
85.02900	7.5
91.05476	38.6
93.07055	51.8
95.04958	8.1
95.08613	57.5
97.02879	4.6
97.06530	5.7
97.10165	8.1
99.04453	3.6
99.08089	14.0
103.03942	3.2
103.05488	3.3
105.07028	57.4
107.04959	7.4
107.08595	48.7
109.06519	4.5
109.10159	36.6
111.04456	7.5
111.08083	3.1
113.00059	4.0
115.05501	3.1
117.07035	25.2
119.08595	65.9
121.06487	4.2
121.10146	36.7
123.04469	2.8
123.08111	5.1
123.11723	16.3
125.09615	4.1
126.92822	2.7
128.06276	3.7
129.06998	12.8
130.07838	4.0
131.08568	58.6
133.06468	3.4
133.10139	47.8
135.08066	8.6
135.11693	23.6
137.13231	5.2
141.07065	6.6
142.07797	4.8
143.08568	29.5
144.09334	3.2
145.06523	4.5
145.10136	39.3
147.08083	5.0
147.11682	28.7
149.09676	7.7
149.13295	14.5
151.07611	3.6
155.08585	9.1
156.09384	5.5
157.06483	3.0
157.10143	33.8
159.11697	39.1
161.09558	3.8
161.13301	19.7
163.14842	9.8
167.08455	4.8
169.02637	3.1
169.10100	16.8
170.10910	3.2
171.08000	4.7
171.11700	29.0
173.09615	4.0
173.13260	37.9
175.11223	7.1
175.14812	10.8
177.16389	5.2
181.10124	5.0
182.11024	2.9
183.11699	18.7
185.09647	5.4
185.13254	34.2
187.11220	7.2
187.14806	29.5
189.12747	3.1
189.16406	20.4
195.11754	11.8
196.12436	4.2
197.13240	11.4
199.11139	2.9
199.14828	24.7
201.12712	4.7
201.16382	10.4
203.17937	3.7
207.11667	6.8
209.13297	8.8
211.14880	16.4
213.16389	10.0
215.17833	15.8
217.15872	3.0
223.14912	6.5
225.16437	8.0
227.14413	3.4
227.17888	3.6
229.15952	4.9
235.14919	4.5
237.16402	5.1
239.18031	5.6
241.19418	3.5
243.17377	3.2
251.17952	3.0
253.19580	6.1
259.20453	4.7
263.17978	3.8
267.21011	5.7
273.22174	6.7
277.19308	3.2
289.21576	3.9
291.20749	4.1
301.21579	4.0
309.22253	3.4
315.23270	6.4
323.23697	3.2
327.23257	5.5
333.25665	9.6
335.23682	5.2
341.24881	6.1
345.24536	3.9
351.23199	8.3
369.24387	23.9
387.25259	24.0
387.30579	13.1
403.47635	2.7
405.16626	3.4
405.20868	2.8
405.26321	52.1
405.31500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01866	4.3
55.05515	19.8
57.03429	2.9
57.07070	13.2
65.03944	4.5
67.05507	34.2
69.03423	8.9
69.07077	20.1
69.35088	23.8
71.04997	5.6
71.08627	10.6
79.05491	23.9
81.03414	5.1
81.07050	44.5
83.08610	9.4
90.42600	2.5
91.05484	31.7
91.20546	3.3
93.07047	51.0
95.04990	6.5
95.08612	54.1
97.02885	4.8
97.10169	5.4
99.08091	6.5
103.05473	2.7
105.07037	35.7
107.04964	6.3
107.08607	31.3
109.06509	3.5
109.10165	41.1
111.04447	3.9
111.08071	9.4
116.99629	2.6
117.07014	9.9
119.08586	49.4
121.10161	26.4
123.08019	3.7
123.11727	8.4
127.11201	31.7
128.06241	5.7
129.07013	7.4
130.07703	2.8
131.08585	31.5
133.10150	33.5
135.08008	6.7
135.11728	16.0
137.09578	4.2
137.13264	5.9
139.07516	7.6
142.07796	3.9
143.08588	17.7
145.06429	3.0
145.10133	37.9
147.11694	22.3
149.02365	16.9
149.09660	4.9
149.13274	8.7
151.11172	3.2
153.09103	4.0
155.08560	10.7
156.09351	4.5
157.10139	24.4
159.11705	26.8
161.13284	14.6
163.14789	4.9
167.08580	6.4
169.10153	10.7
170.11003	4.8
171.11691	22.1
172.12581	3.0
173.13268	21.1
175.14839	15.5
177.16309	4.7
181.10098	3.9
183.11707	11.7
185.13272	21.8
187.11072	3.9
187.14842	37.7
189.12744	3.0
189.16367	9.2
195.11716	8.0
197.13278	10.7
199.14813	17.0
201.16383	16.1
203.14569	3.8
205.15901	10.5
209.13274	7.0
211.14819	9.2
213.16287	13.9
215.17984	5.2
223.14847	4.6
225.16364	13.5
227.17978	7.7
229.19456	3.6
237.16405	4.8
239.18015	5.3
241.19522	7.6
251.17902	6.0
253.19527	6.1
265.19467	4.8
267.21030	7.4
302.40604	3.5
315.22992	3.5
327.23431	3.0
347.27151	3.4
351.22964	5.1
369.24265	9.0
387.25229	9.9
387.30112	5.6
405.26297	19.6
405.31439	100.0
405.36905	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03932	13.1
55.01862	14.4
55.05517	39.4
55.83389	3.9
57.03440	9.5
57.07063	11.4
57.33088	4.2
65.03938	6.8
65.48712	4.5
67.05509	91.1
69.03430	35.6
69.07066	30.3
70.07590	9.0
70.07993	8.0
71.04984	10.3
71.08636	5.4
79.05496	60.8
81.03427	33.2
81.07056	76.8
83.04982	17.9
83.08622	18.1
85.02913	19.7
86.09653	4.3
91.05482	78.6
93.07056	74.8
95.04977	14.0
95.08611	72.5
97.02901	16.7
97.06528	7.7
97.10154	8.4
99.04443	8.2
99.08102	7.0
100.27704	3.8
103.05476	5.0
105.04473	5.6
105.06405	7.2
105.07040	78.1
107.04966	9.6
107.08607	45.4
107.68100	4.4
109.02870	10.2
109.06487	13.5
109.09512	4.6
109.10182	34.2
111.04438	15.9
111.08099	6.1
111.11719	4.3
115.03936	5.7
117.07019	39.1
119.08599	69.6
120.44363	3.7
121.06512	10.8
121.10145	33.4
123.08098	6.7
123.11680	12.2
127.03910	10.3
128.06218	4.5
128.77533	4.0
129.05490	10.8
129.07037	31.0
130.07823	3.7
131.08583	61.0
131.17468	4.4
133.06514	9.3
133.10139	54.0
135.08060	7.8
135.11679	26.9
137.09598	7.9
141.06996	6.5
142.07736	5.6
143.08583	24.7
145.06506	6.6
145.10109	48.3
147.08041	12.0
147.11714	36.5
149.02350	11.4
149.09644	13.1
149.13240	14.2
153.09100	4.6
155.08553	18.6
157.10135	39.4
159.08044	5.8
159.11710	40.5
161.09647	11.1
161.13277	26.1
163.07457	4.7
163.11192	6.2
167.08472	5.5
169.10100	21.0
171.08099	4.5
171.11699	20.4
173.09625	11.4
173.13255	30.6
175.11134	8.9
175.14745	7.5
177.12686	7.4
181.10069	8.4
183.11693	11.5
185.09662	5.2
185.13202	21.4
187.11208	12.4
187.14868	11.2
189.12796	7.1
189.16373	7.1
193.10098	4.7
193.39685	3.9
195.11726	6.4
197.13240	8.6
199.11296	4.8
199.14972	8.0
201.12773	6.6
203.10751	3.8
203.14330	4.0
207.11626	5.9
209.13266	5.5
211.14893	6.0
213.16434	5.1
221.13272	4.8
223.14787	5.9
225.16533	6.5
259.20670	5.5
260.36209	4.9
273.22144	6.2
277.21533	11.7
289.21414	6.5
297.21997	6.3
299.23514	4.7
301.21603	12.3
313.21823	5.9
315.23148	16.6
319.22476	7.3
327.23187	12.1
331.22604	7.8
341.24902	20.5
345.24112	14.5
351.23111	16.5
359.25739	9.3
369.24265	51.3
387.25299	58.5
405.16827	5.9
405.21317	7.0
405.26355	100.0
405.31470	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
53.76239	1.7
55.01885	2.3
55.05504	3.9
65.03931	9.8
67.05516	7.8
69.03442	3.6
69.07051	4.6
69.16645	15.8
77.03929	2.4
77.49191	1.4
78.04686	1.7
79.05508	12.9
81.03407	6.7
81.07063	7.8
82.04205	2.6
85.02900	5.9
85.86756	1.5
91.05498	9.3
93.03384	3.4
93.07059	8.7
94.04186	3.1
95.04977	3.6
95.08630	6.9
97.06535	3.4
98.21532	3.4
99.08111	1.8
103.05502	1.6
105.07042	8.9
107.04958	21.4
107.08604	8.8
108.02110	2.5
109.06478	2.2
109.10151	5.4
110.03658	4.9
111.04428	2.0
115.05466	6.7
117.07033	5.6
119.04923	1.7
119.08600	12.6
121.06533	3.3
121.10143	6.2
122.03659	3.5
123.04421	2.6
123.11692	1.6
124.05215	2.5
125.05987	5.9
125.09538	1.5
128.06242	4.6
129.07014	12.9
131.04903	3.6
131.08582	9.6
133.06512	1.9
133.10132	5.9
135.08083	2.7
135.11693	4.0
137.05989	46.5
138.03119	3.0
139.03897	2.0
141.07018	2.4
142.02657	2.6
143.04962	4.1
143.08540	4.7
144.05733	2.9
145.06450	5.9
145.10161	11.0
146.03575	2.3
147.04375	7.1
147.08105	3.6
147.11674	5.5
149.05959	2.1
149.09634	1.9
149.13307	1.7
151.03923	35.0
151.05037	3.2
153.05478	5.7
155.06032	1.8
157.06477	10.2
157.10136	6.1
158.10880	1.6
159.11708	8.4
160.05179	2.1
161.05998	5.7
161.09618	1.7
161.13269	4.0
163.07634	2.0
163.14810	1.5
167.07056	36.7
167.08452	2.6
169.10132	3.6
170.10954	3.0
171.04398	4.9
171.06519	2.8
171.11707	5.7
172.05197	9.3
173.05943	4.5
173.13290	6.7
174.06779	2.6
175.07515	7.4
175.14861	2.5
180.09348	2.0
181.04961	100.0
182.05318	1.8
183.11691	4.5
185.13264	6.8
187.07535	6.4
187.14839	7.7
189.05511	4.1
189.09169	9.6
189.16612	1.9
191.06992	6.0
191.10747	2.0
195.06604	4.1
195.11685	2.6
197.13255	4.3
199.14819	5.6
200.04720	3.4
201.05402	3.3
201.16357	3.4
203.07022	19.5
205.08607	5.8
206.05757	3.0
208.38759	1.6
209.13260	2.1
211.14792	2.9
218.05765	5.3
219.08263	2.0
219.10260	3.2
221.08086	9.3
225.16318	2.5
227.18053	1.8
233.08110	51.7
235.14714	2.5
249.09013	3.0
251.09218	4.4
251.18025	2.4
263.09186	8.4
265.19510	2.5
276.07767	2.5
277.08591	3.7
293.07986	2.7
295.09741	2.3
305.08218	2.1
307.09622	2.1
309.11240	3.3
325.10696	4.1
329.13959	1.6
337.10651	5.0
341.13959	3.7
342.10968	1.7
351.12378	2.9
357.13397	16.4
369.13437	8.8
387.14398	29.7
387.25330	5.4
405.26376	27.2
405.31573	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	405.1548
Annotation	(+)-8-Hydroxy-alpha-conidendric acid methyl ester
Peak:m/z	Relative Intensity
53.03936	2.9
55.01870	3.0
55.99379	1.2
59.30996	1.4
62.71494	1.5
65.03931	7.3
67.05504	4.6
69.03421	3.5
69.07058	1.6
69.44164	10.9
79.05506	8.0
81.03407	6.2
81.07045	4.5
82.04174	1.9
85.02898	6.4
91.05516	7.8
93.03407	2.8
93.07047	3.4
94.04173	2.1
94.69875	1.6
95.04970	5.4
95.08591	3.1
97.06513	3.4
99.08130	1.8
103.05460	2.7
105.07034	6.6
106.04167	2.1
107.04955	17.6
107.08622	3.4
108.02078	2.0
109.06527	2.2
110.03662	5.4
111.04427	2.1
115.05435	7.0
117.07018	5.5
119.04983	2.7
119.08617	7.5
121.10170	1.9
122.03635	4.2
123.04404	3.2
124.05209	1.9
125.06000	4.4
128.06204	4.3
129.06989	8.0
131.04897	2.6
131.08543	4.7
133.02814	1.4
133.06514	3.5
133.10185	2.1
135.04408	1.9
137.05994	46.6
138.03131	2.1
140.04646	1.6
142.02554	2.4
143.04936	5.1
143.08556	2.1
144.05684	1.8
145.06461	5.7
145.10155	4.4
147.04433	3.6
149.05966	4.2
149.13243	1.8
151.03934	18.7
151.07446	1.8
152.04657	1.6
153.05482	5.0
155.07056	2.1
157.06482	11.1
157.10112	3.6
159.08028	2.7
159.11691	3.7
160.05199	3.2
161.05946	5.7
163.07553	3.2
167.07071	35.6
169.10104	2.4
171.04396	4.6
171.06602	3.4
171.11755	2.2
172.05205	7.1
173.05890	3.7
173.13284	2.6
174.06831	1.9
175.07544	6.5
181.04967	100.0
183.11719	1.8
185.13243	3.2
187.07556	3.9
187.14868	4.2
188.13057	1.3
189.05458	3.6
189.07164	1.4
189.09099	8.5
190.06113	2.0
191.07016	6.5
191.10774	1.7
195.06554	4.6
199.14854	3.1
200.04716	4.4
201.05440	2.3
201.16409	2.2
203.07014	14.0
205.08580	2.8
206.05678	2.3
218.05769	4.1
221.08051	7.1
233.08098	49.7
235.07512	1.6
238.79285	1.6
245.08247	2.3
251.09227	1.7
263.09125	9.7
265.08652	2.3
277.08661	2.5
309.11197	4.7
325.10602	2.6
332.82108	1.8
337.10822	3.2
341.13571	3.1
349.02979	1.6
351.12079	3.3
357.13416	13.0
369.13248	4.8
375.14444	2.6
387.14435	28.5
405.14841	2.7
405.31668	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	7.2
71.16196	11.4
77.05769	5.9
79.70334	5.8
83.08587	6.1
85.02913	23.0
91.05470	10.6
93.07089	6.7
95.08627	10.0
97.02919	7.4
105.07065	10.4
107.08608	9.7
109.06530	18.1
119.08626	8.7
121.10136	8.6
123.11720	16.1
125.00165	6.0
131.04979	10.2
133.06514	8.2
137.06001	21.5
137.09621	32.4
147.11678	14.3
151.03964	10.0
163.11166	30.1
165.09055	7.7
165.12779	100.0
167.07031	16.7
181.05014	22.6
181.12137	11.9
189.12747	15.1
203.06923	9.0
207.13824	56.1
231.53767	6.6
250.83351	7.2
301.63034	6.4
373.10474	7.3
401.78238	6.9
404.14050	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	405.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01852	1.9
56.54607	1.6
56.85516	1.8
65.03953	8.3
67.05494	3.3
69.03410	2.7
71.13029	4.1
73.18994	1.9
79.05515	9.3
81.03400	3.8
81.07075	1.8
85.02895	4.7
91.05476	3.9
93.07006	1.7
95.04951	3.2
97.06507	2.8
107.03279	2.1
107.04957	18.9
108.02112	3.4
109.06511	3.3
110.03658	3.1
115.05447	6.1
117.06982	4.1
121.06537	2.1
122.03730	4.0
123.04392	2.7
124.05224	2.8
124.08805	1.7
128.06236	4.3
129.07004	9.1
129.71738	1.7
133.06458	2.7
136.07520	2.1
137.05983	38.8
138.03065	3.6
143.04906	4.7
144.05719	3.5
145.06490	4.5
146.75014	1.7
151.03938	20.6
151.05038	2.5
153.05458	6.8
157.06523	12.2
159.07919	1.9
160.05150	2.9
161.05992	6.8
161.09602	1.9
165.05450	6.1
167.07054	37.0
171.04399	4.2
171.06784	2.0
172.05191	8.3
173.06020	4.4
175.07527	6.9
181.04968	100.0
181.16568	1.8
182.05263	2.1
187.07536	4.6
189.05542	3.5
189.09113	7.6
190.06078	1.9
191.07021	7.0
195.06506	2.2
198.64941	2.0
200.04732	3.9
203.07056	15.2
205.08589	6.0
208.37393	1.7
218.05745	6.8
221.08069	8.8
233.05844	3.6
233.08092	55.3
245.08034	2.3
250.06186	2.7
251.09094	4.6
263.09189	9.4
265.08469	2.7
276.07983	1.7
277.08722	4.3
293.07794	2.7
305.07904	2.9
309.11121	2.1
337.10626	6.2
337.19421	1.9
351.12177	3.5
357.13336	13.4
366.01758	2.2
369.13327	5.6
375.14041	3.4
381.87598	2.0
387.14444	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56186	4.3
55.01864	18.1
61.63618	3.8
67.05485	3.8
69.03429	5.5
69.07048	4.0
69.97906	17.3
71.04993	7.4
79.05494	9.8
81.07058	8.4
83.55100	4.5
85.02898	13.6
86.09709	7.7
88.41457	3.5
91.05457	14.2
93.07037	10.1
95.04965	5.1
97.02848	4.8
97.06562	3.9
98.20935	6.1
99.46507	3.9
103.05482	16.5
105.06326	4.8
105.07034	100.0
107.08602	22.8
109.10163	16.2
117.07028	6.9
119.04904	6.1
119.08600	18.6
120.08047	4.8
121.02881	3.6
121.10150	14.9
122.03654	4.9
123.04433	10.4
123.08064	6.9
123.11700	13.8
131.04915	13.7
131.08592	8.9
132.05229	10.3
133.06459	6.9
133.10150	5.8
135.08083	22.5
135.11719	5.2
137.05992	58.9
137.09604	20.5
138.06331	23.8
143.08556	6.2
145.02855	10.4
145.10156	6.5
147.07980	9.1
147.11688	14.9
149.09619	12.9
151.03883	11.2
156.09312	15.3
161.06009	6.9
161.13234	7.4
163.07574	5.4
167.07042	16.5
168.07390	7.1
171.11725	25.8
176.04332	4.3
177.05457	26.8
178.05798	5.7
181.04918	23.6
182.05363	15.4
189.12733	33.0
191.07018	7.4
192.07339	5.4
207.06516	8.0
207.13815	86.1
219.06563	4.4
220.06850	4.7
223.09824	3.9
234.08521	4.9
242.17734	4.5
251.09286	9.5
252.09378	11.5
290.11032	7.6
404.14136	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54624	3.9
52.26629	4.6
55.05507	7.8
64.45055	4.4
67.05488	4.3
69.95115	18.1
79.05483	9.0
79.13544	4.0
81.07034	5.8
85.02866	9.6
85.06537	10.0
91.05505	22.9
93.07021	6.2
95.08598	7.8
98.20837	4.7
103.12448	4.4
103.13119	5.1
105.03378	5.5
105.07036	59.4
107.08575	12.5
109.06514	14.8
109.10159	5.0
117.06981	6.3
119.07820	5.8
119.08598	61.2
121.10131	17.3
123.08063	9.2
123.11687	4.9
133.10136	6.1
137.05962	14.5
137.09584	8.3
145.10139	11.3
147.11697	78.1
149.09573	13.3
151.07559	5.3
161.13208	10.9
163.11154	6.0
165.12749	9.9
167.06979	5.2
171.11684	7.6
189.12761	46.3
193.08595	7.0
207.13802	100.0
330.77100	4.6
404.13977	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28894	2.2
53.03943	2.6
55.01857	3.5
61.04011	2.4
65.03918	2.6
69.03428	16.3
69.99051	2.4
70.28342	7.1
71.04990	2.7
76.05105	2.1
81.03412	3.9
81.07062	5.0
85.02905	15.7
89.90791	2.2
91.05474	8.0
95.04989	2.7
95.08597	5.7
97.02913	5.7
98.20808	2.3
105.07040	9.0
106.58543	2.4
107.08603	4.6
109.06531	22.2
109.10159	3.8
109.54662	2.3
119.08604	12.6
120.39019	2.2
121.10165	8.9
123.08058	10.7
127.03934	3.1
129.06999	2.7
131.08582	20.5
133.06485	4.7
137.06001	5.3
137.09647	11.6
145.10120	3.0
147.08069	18.5
147.77518	2.3
149.09650	4.2
151.04018	2.4
151.07550	100.0
156.09364	4.7
161.13242	4.9
163.11128	12.9
167.07043	3.1
171.11670	7.9
176.20157	2.3
181.04967	7.5
189.12737	31.9
207.13829	74.0
225.14708	4.4
233.08102	6.0
344.56650	2.2
369.19040	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	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99872	3.2
55.05506	3.8
69.03456	3.4
69.14561	6.5
69.14965	32.4
70.06594	4.0
70.50107	3.2
71.46049	3.0
79.05498	4.1
85.02903	21.6
86.09710	5.2
87.23420	3.3
90.87897	3.6
91.05479	11.3
93.07046	7.2
95.04957	3.4
105.07043	21.9
107.08595	13.9
109.10175	4.3
117.07034	4.8
118.84121	4.4
119.08588	20.5
121.06513	5.0
121.10155	14.0
123.08051	4.1
123.11690	6.9
128.06244	4.4
129.07053	5.4
131.08568	10.4
133.10112	4.6
135.08093	21.9
135.11726	7.1
137.05986	5.8
143.08549	10.2
145.10136	13.4
147.04391	4.7
147.08073	13.1
147.11722	19.5
149.09619	12.7
156.09386	20.2
159.11681	4.6
161.05907	4.2
161.13304	5.6
163.03909	8.7
163.11208	4.6
171.11700	41.4
189.12781	33.1
207.06532	8.7
207.10352	4.2
207.13811	100.0
226.88370	3.6
333.58649	4.2
394.99963	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	404.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62634	1.2
55.03335	1.2
62.06093	100.0
71.47943	2.3
76.62711	1.0
78.89452	1.1
90.67337	1.1
109.51125	1.3
166.92296	1.2
225.62193	1.1
240.18109	1.1
406.33563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1963
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.03922	3.8
55.01871	14.7
55.05513	10.0
57.03438	12.8
57.07076	1.9
65.03935	6.3
67.05195	2.5
67.05508	41.4
69.07054	14.6
69.87934	10.7
69.88297	3.4
71.04975	3.3
72.71397	2.3
73.02898	2.5
76.07487	2.3
79.05498	30.3
81.07054	100.0
83.04977	8.3
83.08607	6.4
85.06526	6.9
88.76290	2.3
91.05480	44.8
93.07043	18.0
94.43349	2.1
95.04953	7.7
95.08607	29.1
97.02895	2.3
97.06567	10.8
98.21495	3.0
99.04434	2.3
99.08070	7.1
100.11255	2.6
101.02395	1.9
103.05455	8.6
105.03374	4.5
105.07030	57.4
107.04935	2.6
107.08585	16.2
109.06500	6.7
111.08054	3.2
115.05471	4.2
119.03417	3.8
119.04887	2.9
119.08589	37.2
121.10152	27.8
121.21174	2.3
123.04437	3.8
123.08082	6.6
123.11705	22.6
127.07571	2.1
131.04916	9.6
131.08585	5.7
133.06473	2.9
133.10124	7.8
137.02353	14.0
137.03255	3.3
137.06006	18.9
145.10117	4.1
147.04327	5.1
147.11688	93.7
149.13226	3.0
151.03915	24.4
151.04987	4.5
152.70824	1.9
153.05515	3.6
157.10126	6.3
159.11659	2.8
161.05960	2.9
163.03928	2.0
163.07550	3.7
165.12753	64.8
167.07048	23.9
171.11723	2.9
175.11200	9.8
177.05470	3.8
177.46072	2.2
179.06987	3.9
181.04961	12.9
182.15390	3.4
183.11618	4.0
183.13850	3.5
193.12253	10.5
207.06581	13.1
211.13278	2.6
221.08118	3.6
229.14311	12.0
251.09056	2.7
267.15927	6.0
283.15405	10.7
311.14792	16.5
385.18655	3.0
403.13950	8.3
403.19449	20.3
403.24847	13.3
403.29648	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	403.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
53.93908	2.7
55.01628	2.5
55.01873	18.9
55.05497	2.4
65.03937	7.6
67.05503	12.0
69.03421	5.7
69.07059	6.7
71.01347	4.6
73.50078	2.4
74.91559	2.4
78.04703	3.4
79.05484	9.1
81.03406	8.7
81.07070	21.8
91.05508	16.6
93.03425	2.8
93.07043	4.1
94.04184	5.0
95.04971	5.8
95.08600	3.3
97.02908	5.2
103.05469	23.6
105.03400	21.1
105.07049	16.2
107.04950	10.7
107.08593	6.5
108.02118	2.7
109.02896	3.1
110.03674	5.6
115.05431	5.2
119.04937	10.9
119.08579	11.4
121.10122	8.5
122.03605	3.9
123.04429	8.0
123.08044	4.1
123.11688	3.0
125.06020	5.5
127.03868	4.5
131.04939	39.1
133.06465	4.6
133.10165	4.0
137.02356	85.1
137.03357	5.1
137.05977	53.0
145.06490	4.4
146.03609	4.5
147.04420	19.1
147.08037	3.3
147.11681	15.6
151.03925	100.0
151.05035	12.5
153.05463	6.7
159.04428	4.6
161.05949	8.9
163.07535	8.0
165.05461	4.6
165.12723	9.8
167.07048	79.0
175.03790	3.0
175.07503	3.0
177.05507	3.8
179.07019	22.4
181.04991	27.2
183.11652	2.9
189.05495	3.7
191.06931	5.1
192.51909	2.5
193.12236	3.3
197.13248	3.1
205.08704	6.2
207.06534	48.2
219.06517	11.6
221.08102	10.4
231.16206	3.2
233.08232	3.4
234.46849	2.5
235.09604	4.3
249.07462	2.9
251.09096	7.3
264.18552	3.1
289.10681	2.9
293.07968	3.6
307.09769	4.0
311.14725	3.1
323.09323	7.2
324.10172	2.9
335.09064	3.5
355.11682	5.4
373.12814	3.3
403.13910	23.3
403.19077	5.0
403.24716	18.3
403.29996	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	403.1391
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
53.03935	1.5
55.01876	31.5
55.05504	1.3
65.03942	4.1
66.33175	0.7
67.05493	2.9
69.03416	2.5
69.07059	1.2
79.05483	3.6
81.03424	1.1
81.07051	2.9
85.02902	3.4
87.50050	0.7
91.05492	5.5
93.03405	2.1
93.07045	2.8
94.04176	3.8
95.04970	3.6
95.08638	1.6
97.02891	2.5
97.06522	2.1
103.05473	22.3
105.03410	1.0
105.07043	4.1
107.04949	4.8
107.08614	1.2
109.02865	1.6
109.06562	0.9
109.10148	0.9
110.03681	1.4
111.04447	2.1
115.05475	3.8
117.07001	4.1
119.04934	2.2
119.08569	2.4
121.02880	0.9
121.06505	5.2
121.10133	1.2
122.03654	9.5
123.04430	4.9
125.06010	3.2
130.16049	0.9
131.04933	24.6
131.08568	0.9
132.05679	1.2
133.02841	0.8
133.06535	3.7
133.10144	1.9
135.04453	0.9
135.08139	1.2
137.05983	100.0
139.03934	3.9
142.02609	1.5
143.04912	2.0
143.08528	1.4
144.05763	1.1
145.06470	7.0
145.10129	1.6
147.04396	3.0
148.05212	1.5
149.05971	3.3
151.03912	15.8
151.05006	1.4
151.07539	1.3
153.05458	4.7
155.06007	2.0
155.07095	1.2
157.10182	1.1
159.04431	4.9
159.11694	1.0
160.05185	1.5
161.05992	4.7
163.03947	1.9
163.07553	6.6
167.05666	1.8
167.07054	29.2
173.05974	8.0
175.03897	2.9
175.07571	2.4
176.04726	1.1
177.05460	10.2
179.07019	5.2
181.04962	46.2
181.08517	1.7
185.13162	1.1
187.14833	0.9
189.05449	4.8
190.06242	1.0
191.07042	13.4
193.04979	0.9
193.08620	1.9
194.05780	2.8
195.10042	1.2
201.05479	1.2
205.08647	4.5
206.05663	0.9
207.06500	7.2
208.07307	3.4
209.08153	6.8
219.06517	9.3
221.08110	5.3
222.08818	1.0
223.09637	8.2
233.08025	5.6
235.09624	1.2
249.07629	1.4
251.09155	36.2
256.49966	1.0
289.10721	10.4
295.09637	0.9
341.13937	0.9
373.12833	7.8
403.13858	49.7
403.24921	1.6
403.29715	2.6
404.14343	1.5
404.58463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1391
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
50.37019	1.1
55.01876	35.8
55.05499	2.0
57.03427	2.7
65.03934	4.0
67.05506	8.4
69.03443	1.3
69.85907	2.9
69.86297	2.3
79.05477	6.7
79.06467	1.1
81.03385	1.3
81.07054	11.2
85.02899	2.9
90.76541	1.0
91.05469	10.0
93.03410	2.4
93.07056	2.6
94.04174	4.3
95.04967	3.6
95.08604	3.4
97.02905	1.6
97.06521	3.9
103.05463	20.6
105.04505	1.4
105.07051	9.2
107.04953	5.9
107.08578	2.2
109.06528	1.7
110.03674	2.4
110.47198	1.1
114.06679	1.1
115.05463	3.9
117.07016	4.3
119.04939	2.4
119.08591	4.9
121.06505	4.0
121.10152	3.4
122.03669	10.7
123.04465	3.0
123.08149	1.3
123.11704	2.0
125.06038	2.7
131.04936	29.4
133.06500	4.1
137.05980	100.0
142.02664	2.0
145.06517	6.4
146.76193	1.3
147.04462	3.3
147.11697	8.9
149.05980	3.0
151.03922	15.0
151.05031	2.2
153.05499	4.9
153.32368	1.4
155.05998	2.0
159.04427	4.7
160.05241	2.4
161.05991	5.1
163.03860	1.4
163.07581	6.7
165.12805	7.3
167.07040	27.8
171.06604	2.0
172.05254	1.3
173.05968	10.1
175.03952	3.8
175.07623	2.0
176.04712	2.0
177.05490	9.3
179.07089	5.3
181.04961	53.8
183.06529	2.4
189.05467	3.9
191.07018	16.4
194.05817	3.7
196.07423	1.3
201.05429	2.4
205.08632	3.6
207.06596	8.5
208.07320	1.8
209.08159	7.2
219.06505	12.5
221.08124	5.2
222.08990	1.3
223.05983	1.3
223.09659	6.7
229.14075	1.2
233.08063	8.5
236.60724	1.1
249.07707	2.4
251.09149	37.9
283.15369	2.3
289.10715	11.2
311.14844	1.6
316.64203	1.3
327.12256	1.6
373.12720	10.1
403.13925	59.9
403.18982	2.7
404.14252	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	403.1392
Annotation	Gossypetin hexamethyl ether
Peak:m/z	Relative Intensity
53.03959	1.5
54.16534	1.6
55.01879	34.3
58.93570	1.5
61.11372	1.7
65.03938	4.6
67.05508	2.6
69.03426	4.4
71.04403	3.0
78.04715	1.9
79.05512	1.9
81.03462	1.5
81.07091	2.7
85.02913	5.6
91.05518	8.5
93.03430	1.9
93.07051	3.1
94.04189	4.6
95.04983	4.8
95.08608	2.8
97.02894	2.6
97.06565	1.9
99.04498	3.5
103.05475	20.8
105.07054	3.7
107.04959	5.9
107.08592	2.1
109.10203	1.9
110.03682	2.1
115.05452	4.2
117.07030	5.7
119.04974	2.1
119.08598	2.5
121.02844	2.4
121.06495	2.9
121.10168	3.2
122.03645	9.1
123.04428	10.4
123.08099	3.3
124.05225	2.7
131.04935	23.5
133.06509	3.5
135.11642	1.9
137.05992	100.0
145.05026	1.5
145.06523	5.5
147.04398	5.0
149.05945	3.6
151.03918	15.2
151.05022	3.0
151.07489	1.8
153.05495	5.7
155.07217	2.3
159.04448	6.3
161.06000	6.0
163.03880	2.1
163.07591	5.9
167.07062	23.1
173.06007	8.5
175.03859	2.7
177.05499	13.5
179.07030	3.9
181.04967	42.2
181.12315	5.2
183.10226	2.2
189.05521	2.8
191.07028	16.0
194.05902	2.9
201.05484	2.2
205.08640	4.7
205.12178	2.0
207.06561	6.4
208.07263	2.0
209.08095	7.1
219.06519	11.5
221.08041	4.2
223.09656	7.7
223.13341	6.7
233.08069	8.4
241.14308	3.4
251.09140	35.1
289.10675	11.2
290.10538	1.8
311.05460	2.1
313.07111	12.1
339.04907	8.1
373.12802	6.0
385.05499	6.8
403.07086	10.9
403.13919	47.8
404.14597	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1389
Annotation	Gossypetin hexamethyl ether
Peak:m/z	Relative Intensity
51.07924	1.3
53.03948	1.9
54.04198	1.2
55.01877	35.3
65.03945	4.0
70.94045	3.2
72.76476	1.2
77.03960	1.2
79.05492	2.4
85.02902	3.6
91.05479	2.0
93.03426	1.2
94.04184	3.6
95.04971	2.7
96.72423	1.3
97.02892	1.5
103.05470	19.1
104.46914	1.3
107.04948	6.1
109.69888	1.4
110.03665	1.9
114.48460	1.2
115.05442	1.9
117.06989	4.2
119.04976	3.1
121.06499	1.9
122.03648	8.8
123.04477	2.1
125.05978	3.1
131.04942	26.5
133.06499	2.4
135.08018	1.6
137.05984	100.0
138.06311	1.6
145.06479	6.5
147.04424	2.9
149.06009	2.8
151.03897	11.5
153.05493	3.8
155.07089	2.3
159.04396	3.8
161.05959	4.3
162.34891	1.3
163.07541	4.3
167.07062	23.3
173.05956	6.6
175.03860	2.9
175.07590	2.3
177.05455	9.0
179.07060	2.3
179.46153	1.3
180.30391	1.3
181.04961	42.6
181.08456	1.4
189.05505	3.9
191.07045	14.6
194.05769	2.7
201.05421	2.0
205.08696	3.3
207.06549	6.4
208.07283	3.4
209.08015	7.5
219.06546	8.8
221.07999	3.9
223.09729	6.6
233.08185	4.4
251.09164	33.4
289.10825	9.6
290.36887	1.4
373.12741	6.0
377.68713	1.7
403.13895	47.6
420.87378	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01876	31.5
55.05504	1.3
65.03942	4.1
66.33175	0.7
67.05493	2.9
69.03416	2.5
69.07059	1.2
79.05483	3.6
81.03424	1.1
81.07051	2.9
85.02902	3.4
87.50050	0.7
91.05492	5.5
93.03405	2.1
93.07045	2.8
94.04176	3.8
95.04970	3.6
95.08638	1.6
97.02891	2.5
97.06522	2.1
103.05473	22.3
105.03410	1.0
105.07043	4.1
107.04949	4.8
107.08614	1.2
109.02865	1.6
109.06562	0.9
109.10148	0.9
110.03681	1.4
111.04447	2.1
115.05475	3.8
117.07001	4.1
119.04934	2.2
119.08569	2.4
121.02880	0.9
121.06505	5.2
121.10133	1.2
122.03654	9.5
123.04430	4.9
125.06010	3.2
130.16049	0.9
131.04933	24.6
131.08568	0.9
132.05679	1.2
133.02841	0.8
133.06535	3.7
133.10144	1.9
135.04453	0.9
135.08139	1.2
137.05983	100.0
139.03934	3.9
142.02609	1.5
143.04912	2.0
143.08528	1.4
144.05763	1.1
145.06470	7.0
145.10129	1.6
147.04396	3.0
148.05212	1.5
149.05971	3.3
151.03912	15.8
151.05006	1.4
151.07539	1.3
153.05458	4.7
155.06007	2.0
155.07095	1.2
157.10182	1.1
159.04431	4.9
159.11694	1.0
160.05185	1.5
161.05992	4.7
163.03947	1.9
163.07553	6.6
167.05666	1.8
167.07054	29.2
173.05974	8.0
175.03897	2.9
175.07571	2.4
176.04726	1.1
177.05460	10.2
179.07019	5.2
181.04962	46.2
181.08517	1.7
185.13162	1.1
187.14833	0.9
189.05449	4.8
190.06242	1.0
191.07042	13.4
193.04979	0.9
193.08620	1.9
194.05780	2.8
195.10042	1.2
201.05479	1.2
205.08647	4.5
206.05663	0.9
207.06500	7.2
208.07307	3.4
209.08153	6.8
219.06517	9.3
221.08110	5.3
222.08818	1.0
223.09637	8.2
233.08025	5.6
235.09624	1.2
249.07629	1.4
251.09155	36.2
256.49966	1.0
289.10721	10.4
295.09637	0.9
341.13937	0.9
373.12833	7.8
403.13858	49.7
403.24921	1.6
403.29715	2.6
404.14343	1.5
404.58463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.139
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
52.90963	2.4
53.03938	2.8
55.01873	17.0
61.86649	2.5
65.03932	6.6
65.09247	2.3
67.05492	5.0
69.03425	6.8
71.01344	2.4
71.26953	3.8
79.05477	8.0
81.03413	5.1
81.07036	4.7
85.02924	3.4
91.05465	8.9
93.07034	3.8
94.04156	4.8
95.04950	6.0
95.08585	2.9
97.02872	3.5
97.06495	3.8
98.93295	2.3
99.10896	2.6
103.05474	22.3
105.07029	9.3
107.04956	8.8
107.08612	3.4
108.02113	3.3
111.04436	3.3
115.05442	4.0
117.07024	4.8
119.04959	15.3
119.08613	3.4
121.10166	2.8
122.03647	4.9
123.04417	8.5
127.71347	2.5
131.04926	32.2
133.06493	6.5
135.08055	3.7
137.05974	36.7
143.04907	2.5
145.06398	2.6
145.10092	2.9
147.04427	12.6
147.11732	4.0
149.05984	2.9
151.03925	100.0
151.05040	11.6
151.07713	2.6
152.04660	3.7
153.05432	9.0
161.06035	12.5
163.07530	7.1
167.07045	64.4
169.07504	3.0
171.11740	2.6
173.05934	2.7
177.05475	5.3
179.07069	17.0
181.04962	37.7
183.06613	3.9
189.05475	4.4
191.07062	7.7
193.08621	6.7
195.11717	4.0
196.54082	2.3
203.07037	4.9
205.06631	2.6
205.08582	6.1
207.06514	39.3
213.76703	2.5
219.04736	2.4
219.06419	13.7
221.08092	15.0
233.08063	4.3
241.78659	2.5
249.07559	3.0
250.06212	2.1
251.09119	6.4
255.11369	4.2
283.10852	3.1
295.09677	3.3
307.09665	5.3
310.25424	2.6
311.10037	4.1
323.09146	9.0
325.10715	3.7
343.12698	11.4
353.09879	3.0
355.11801	7.3
371.12152	6.8
373.12726	8.3
395.53171	2.6
403.13812	27.9
403.29514	9.8
425.11890	2.7
426.68073	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	402.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	6.6
57.03431	12.9
59.05001	5.6
60.31101	5.3
61.64450	5.1
69.03432	67.1
70.06583	4.7
71.48554	6.2
73.06187	7.7
73.06557	100.0
80.32483	5.2
83.08611	10.5
85.02511	5.6
85.02927	52.5
87.04477	40.0
91.07606	13.4
93.63108	5.0
97.02885	55.5
102.90292	5.0
109.22767	4.6
115.03936	82.2
120.99478	5.3
127.03934	6.0
133.04968	69.1
134.16714	5.3
142.58270	4.8
145.04971	8.5
147.04433	7.9
205.64030	5.0
253.12831	5.7
271.71594	5.1
352.05536	5.5
401.13303	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	401.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	17.3
55.01878	18.8
55.05507	34.7
57.03430	15.8
58.00311	13.4
67.05516	31.2
69.03442	29.4
69.07076	60.8
71.04995	20.8
71.49055	17.9
78.91196	12.4
79.05495	50.7
81.03400	31.4
81.07059	100.0
83.08611	21.0
85.02898	37.7
86.28407	11.9
91.05489	30.4
93.07049	59.8
95.04969	26.0
95.08602	53.9
97.02888	17.2
97.06525	35.9
105.07031	54.2
107.05014	19.7
107.08619	76.8
109.06564	13.1
109.10161	52.3
110.77718	14.5
111.11685	21.4
115.05468	15.3
119.08562	56.5
121.10145	40.7
121.87913	12.4
123.04463	17.8
123.11736	54.5
127.11226	19.1
131.08563	30.2
133.10167	34.0
135.11705	85.3
137.06070	18.4
137.13300	20.2
139.03923	44.7
143.10608	12.9
145.10059	21.4
147.11691	28.4
149.13254	17.7
152.46141	11.6
153.01880	24.2
153.05479	33.6
153.12737	27.9
159.11688	19.5
161.13271	21.4
167.07072	48.2
173.13298	14.8
181.04965	30.8
197.13380	16.1
203.18042	30.6
205.19591	13.6
217.08601	17.8
219.10239	39.4
221.19080	22.6
231.49348	11.6
247.09756	15.2
315.03577	11.7
315.08731	30.8
330.10873	16.3
364.82523	13.4
383.14944	33.9
401.16235	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.6
55.01870	18.1
55.05482	10.7
61.02929	10.4
67.05493	25.4
68.99782	14.1
69.03440	49.7
69.30940	16.5
69.31348	53.2
70.52316	7.7
71.05000	7.4
79.05497	49.7
81.03422	57.7
81.07063	90.5
83.04990	17.2
85.02924	47.8
85.53864	7.8
87.00816	13.2
91.05482	33.8
93.07053	48.5
95.04987	50.3
95.08618	19.4
97.02891	12.9
99.04446	21.9
103.03936	14.5
105.01867	10.4
105.07027	63.0
107.04958	12.4
107.08586	38.7
109.02906	12.4
109.06507	44.2
109.10179	16.8
111.04460	11.5
117.06986	10.9
119.08598	85.3
121.10170	37.5
123.04433	100.0
123.08068	17.5
123.11711	10.2
125.06024	11.0
129.01830	20.3
129.05495	9.8
129.07005	9.8
131.08559	26.1
133.10144	16.3
135.11714	11.1
137.05942	9.2
137.09615	11.3
142.07755	12.6
143.08565	11.1
145.10110	33.4
147.11697	11.1
151.07550	20.0
151.11137	16.8
153.01846	22.5
157.10220	19.2
159.08009	11.5
159.11678	33.1
160.78050	8.9
167.07098	13.0
171.73436	8.8
179.07001	17.7
189.03903	13.2
225.12585	10.7
243.13777	10.4
261.14853	14.2
401.15710	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	2.8
69.07059	4.5
69.76872	13.0
71.05000	2.5
71.30295	2.3
75.99622	2.3
78.04722	2.5
79.05510	15.0
81.07065	5.8
91.05493	8.8
95.04987	3.2
105.07016	5.1
106.04179	2.4
107.04958	31.7
109.10126	3.6
115.05460	6.4
117.07034	2.8
119.08582	4.0
121.10163	3.6
123.04419	6.1
124.05186	3.9
128.06245	3.5
129.07008	7.3
131.08580	9.6
137.02365	3.1
137.05998	3.5
141.07063	5.0
144.05731	6.6
145.06476	6.5
152.04694	4.6
155.06091	2.8
156.05672	13.1
159.08022	11.7
161.05969	3.8
166.06819	2.4
167.07054	100.0
173.06020	4.2
179.07092	2.8
181.04953	8.2
184.38899	2.5
186.06764	5.8
187.07570	9.7
190.07808	2.9
191.08545	3.1
193.06581	2.6
202.06200	4.5
202.07828	3.9
203.08679	3.4
205.06696	4.0
205.08618	13.6
206.07323	3.1
207.06505	4.3
208.05206	19.4
217.08566	26.2
218.07278	5.0
219.08058	9.6
219.10065	5.2
220.08855	4.3
221.05978	8.8
229.08641	6.8
230.07385	3.6
231.08014	6.1
232.09010	2.7
233.09619	6.8
235.07544	3.8
236.04712	9.5
239.06894	2.9
240.04353	3.2
241.08543	3.2
245.09717	5.1
247.07524	9.9
247.09688	21.5
248.08217	13.6
249.09012	3.6
254.05754	8.3
255.06441	3.7
259.07782	3.5
260.08179	3.4
261.09131	4.8
262.09955	5.2
263.07111	4.0
263.10754	13.0
264.07880	7.1
265.08533	3.3
267.06528	8.0
269.08072	18.6
271.09674	7.3
272.06631	3.4
275.07031	8.1
276.07950	7.3
277.08621	4.3
279.10263	7.6
281.08057	5.6
282.05435	5.2
282.08847	15.3
290.09262	6.2
291.10117	10.1
293.08136	11.5
293.11465	3.5
295.09549	3.2
296.10370	2.8
299.08853	3.4
307.09692	8.5
308.10297	9.9
310.08344	9.1
311.12854	2.9
315.08621	71.0
316.09137	3.4
319.09647	7.1
321.07541	3.0
323.12805	17.1
328.09598	6.9
330.10983	89.8
331.11765	13.9
336.09857	4.9
337.10690	9.9
339.12311	9.4
343.11780	23.1
351.12375	22.2
352.12805	3.7
353.10275	7.0
356.12582	5.1
368.12564	10.4
369.13095	2.8
371.15015	8.2
383.10306	5.3
383.14932	68.4
401.11420	2.7
401.16089	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61450	17.1
69.61863	4.4
73.74329	2.4
79.05491	16.3
81.07052	3.5
81.08795	2.7
90.22115	3.0
91.05473	8.4
95.04967	3.5
103.05427	3.5
105.07059	3.3
107.04319	3.2
107.04966	35.9
115.05451	3.6
117.07052	3.3
121.06521	3.0
123.04401	7.8
123.67625	3.4
124.05244	6.4
128.06213	7.4
129.07018	8.7
131.08580	8.6
137.05945	3.5
141.06973	6.8
144.05675	8.7
145.06541	6.5
147.04402	3.1
151.03859	6.4
152.04765	3.1
153.05479	6.9
156.05676	14.7
157.06511	4.5
159.08078	17.9
161.05942	4.4
163.03905	5.7
167.05673	5.4
167.07057	100.0
169.06421	3.0
173.05972	8.4
181.04913	11.1
181.06393	3.6
181.08630	3.4
184.05203	5.4
187.07526	10.4
191.08585	4.5
193.08578	3.1
195.06520	7.0
202.06232	7.9
203.08662	4.7
204.07761	3.5
205.08542	15.7
207.06488	6.5
207.08218	3.1
207.10324	3.7
208.05174	17.7
210.06616	3.3
211.07487	3.2
215.08620	3.6
217.08633	43.0
218.07307	4.4
219.08023	10.2
219.10016	3.9
220.08818	4.0
221.05981	9.1
227.06964	3.1
229.08536	7.1
231.08064	9.7
231.10167	4.7
235.07579	4.2
236.04700	8.7
236.08282	3.4
241.08253	3.2
245.09691	4.1
246.06761	4.8
247.07451	11.9
247.09691	28.9
248.08345	9.1
249.05437	5.2
249.09129	5.0
250.06189	3.4
251.06964	3.1
254.05710	9.4
261.09116	5.1
262.10001	6.8
263.07040	7.8
263.10513	6.9
264.07849	5.0
265.08563	5.5
267.06546	10.0
269.08099	24.6
271.09650	11.0
272.06613	3.3
275.07071	7.7
276.07791	10.6
277.08609	6.3
278.05746	3.5
279.10172	11.4
282.08954	14.8
289.08655	3.5
290.09296	8.1
291.10074	19.8
292.07324	5.5
293.08099	11.5
299.09195	4.4
301.07111	3.9
305.08011	3.4
307.09659	12.0
308.10352	11.1
310.08307	8.2
311.12781	4.5
315.08643	78.3
319.09662	7.9
323.12744	15.5
325.10513	4.7
328.09326	4.5
330.07199	5.3
330.11002	82.3
331.11734	12.8
336.09775	7.6
337.10675	7.9
339.12247	6.2
343.11703	22.6
351.12256	26.8
352.13138	3.4
353.10147	6.8
368.12646	7.2
371.14841	6.7
373.12665	4.8
383.14917	65.4
393.50076	3.9
401.16373	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	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16517	2.4
70.74480	6.0
79.05508	19.1
91.05486	9.9
95.04986	5.9
95.08604	3.1
97.02891	3.1
107.04959	41.6
115.05466	5.0
116.06252	4.2
123.04454	5.4
124.05221	5.8
128.06258	4.3
129.07027	11.5
131.08569	14.3
141.07007	4.9
144.05713	11.2
145.06514	6.8
152.04599	3.9
153.01863	6.4
156.05719	16.1
157.06532	4.2
158.07320	4.7
159.08067	14.7
161.06056	3.7
163.03990	3.3
165.07082	5.9
167.07047	100.0
167.08466	5.7
173.05969	4.8
179.07080	3.0
181.04868	4.0
181.08557	6.7
184.05219	3.8
186.06877	3.9
187.07628	13.6
190.06210	3.2
191.08578	5.6
195.08063	3.1
202.06339	8.2
203.08603	3.1
205.06856	3.4
205.08633	20.0
207.06541	8.6
207.08263	4.1
208.05162	17.6
208.08786	3.9
211.07545	4.7
217.08563	46.0
218.07199	5.3
219.08058	12.0
219.10094	6.4
220.08820	4.0
221.05974	9.1
227.33228	2.5
229.08652	4.5
230.22955	2.6
231.08031	8.1
231.10164	4.8
232.08893	3.4
233.06093	3.4
233.09669	6.0
235.07591	5.6
236.04704	5.3
236.08385	7.6
239.06895	3.5
241.08617	3.1
246.06732	3.2
247.07768	20.9
247.09691	27.0
248.08377	10.1
249.05577	2.9
249.09099	6.0
251.07008	4.5
254.05898	7.9
260.08368	3.9
261.09256	6.0
262.09827	5.9
263.06705	3.4
263.10770	12.8
264.07895	9.7
265.08542	12.0
267.06610	6.5
269.08054	18.7
271.09708	10.6
272.06732	4.6
275.07059	7.5
276.07800	9.5
277.08649	9.6
279.10202	9.1
280.07050	4.0
282.08884	12.0
290.09424	6.8
291.10089	15.8
292.07376	4.8
293.08182	14.1
296.10611	3.5
299.06046	5.0
299.09064	17.3
301.07147	4.0
305.08246	3.4
307.09753	15.5
308.10443	9.4
309.11301	2.9
310.08392	8.2
311.09085	4.2
313.07086	3.3
313.10718	7.4
315.08667	57.6
319.09607	7.6
321.07620	4.2
323.09335	5.3
323.12793	18.3
325.10715	4.7
330.10999	72.8
331.11884	17.0
336.09909	5.5
337.10825	8.8
339.12289	15.5
341.13870	4.4
343.11707	17.9
351.12335	26.2
352.12759	3.7
353.10117	9.6
356.12500	4.3
358.14029	30.0
368.12689	13.5
369.13126	5.4
371.15140	5.6
383.14880	66.8
401.16068	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	401.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.05497	3.3
62.91160	2.2
67.05524	3.4
69.83443	11.8
77.03956	2.4
78.04710	4.3
79.01844	2.4
79.05499	19.1
81.03467	2.4
81.07036	3.3
83.08632	2.2
91.05486	9.6
95.05003	5.2
95.08599	2.1
103.05518	4.8
105.07047	4.7
106.04190	2.0
107.04973	32.1
107.08613	2.9
115.05488	6.6
116.06292	2.8
117.07031	3.8
118.04198	2.8
119.08622	3.4
121.06496	3.1
121.10150	3.7
122.03696	3.1
123.04438	3.4
124.05228	7.4
128.06258	2.8
129.07025	8.7
131.04953	4.6
131.08569	11.9
132.05763	2.2
137.06058	3.1
141.06996	6.9
143.08626	2.3
144.05722	7.3
145.06442	6.9
145.10176	2.9
147.04462	3.7
151.03931	4.4
152.04755	3.9
153.01863	42.5
153.03035	4.5
153.05449	3.8
156.05722	14.7
157.06418	2.9
158.07321	3.3
159.08057	15.0
161.06041	4.3
163.03912	4.8
165.07001	3.3
167.07065	100.0
173.06006	5.4
174.06657	2.8
181.04993	8.7
184.05223	4.5
186.06795	3.5
187.07614	12.1
189.05486	2.6
190.06230	3.9
190.07784	3.6
191.06998	5.0
191.08640	3.1
202.06261	8.3
202.07886	3.8
203.08636	3.3
205.06673	4.5
205.08630	16.8
207.06567	7.9
208.05217	20.8
210.06822	2.8
211.07455	3.9
217.08623	47.2
218.07326	5.7
219.08051	10.7
219.10223	6.9
220.08871	5.4
221.06076	7.4
223.07521	2.7
227.07117	3.0
229.08601	5.1
231.08128	5.0
233.06052	3.0
233.09741	3.5
235.07607	3.0
235.11298	3.4
236.04753	8.2
236.08253	3.9
239.07033	3.0
247.07494	11.7
247.09715	24.9
248.08401	14.2
254.05774	7.6
259.07590	3.8
261.09229	6.6
262.09845	2.6
263.06982	4.4
263.10645	11.0
264.07813	8.9
265.08612	6.3
266.05728	4.4
267.06561	7.0
269.08136	20.9
271.06238	2.8
271.09695	7.4
272.06952	2.3
275.07053	6.0
276.07816	7.6
277.08521	7.7
278.05930	2.7
279.10110	8.1
281.08206	3.5
282.08807	12.4
287.09308	3.4
290.09338	6.2
291.10214	17.9
292.07367	5.0
293.08133	8.3
297.07974	3.0
299.09079	5.5
301.06995	2.8
305.08356	4.3
307.09653	12.1
308.10416	4.9
310.08392	7.1
315.08652	72.7
319.09717	10.1
321.07727	2.9
321.11343	4.6
322.08282	4.3
323.12729	16.8
328.09454	5.4
330.11005	81.2
331.11615	12.7
336.10068	3.8
337.10736	9.8
339.12326	6.9
343.11856	21.6
351.12265	26.7
352.13171	4.7
353.10229	7.1
356.12775	3.5
368.12570	9.2
371.14896	4.3
373.12695	5.6
383.14938	59.9
401.11563	4.6
401.16110	16.1
401.28085	2.8
417.18085	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	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
71.70709	2.0
76.52615	1.9
78.04722	2.3
79.05508	15.4
81.07079	2.2
87.36193	1.9
87.70544	1.9
91.05495	8.2
95.04967	3.1
107.04967	31.7
109.06548	2.0
115.05461	5.4
116.06247	3.9
117.07043	3.6
121.06544	2.6
124.05227	6.3
128.06239	2.6
129.07047	8.3
131.08537	11.1
141.06978	5.5
144.05721	6.9
145.06514	2.7
152.04704	4.4
156.05707	13.9
157.06497	3.5
158.07172	2.4
159.08087	17.6
161.06042	2.9
161.36923	2.0
163.03940	3.4
165.06940	2.7
167.07059	100.0
169.07675	2.8
173.06052	3.6
175.07562	3.1
179.07089	2.9
181.04922	2.3
181.06493	2.2
181.08542	2.4
184.05263	4.8
186.06697	3.7
187.07617	10.5
190.07874	2.3
191.07150	2.7
195.06499	3.5
199.33664	2.1
202.06296	6.4
205.06702	3.7
205.08624	14.1
205.10182	2.1
207.06462	4.9
208.05151	19.0
210.06744	2.6
211.07643	2.9
215.08682	3.9
217.08621	43.1
218.07272	5.3
219.08098	13.2
219.10237	6.3
220.08815	3.2
221.05980	8.3
222.06677	2.2
224.04666	2.0
229.08640	3.7
231.08028	8.2
231.10150	4.7
232.08966	2.2
233.06038	4.9
233.09662	5.1
234.06705	2.4
234.10114	2.2
235.07578	5.9
236.04753	6.9
236.08383	3.9
238.06204	2.7
239.07115	3.0
245.09602	3.0
246.06810	2.8
247.07510	16.1
247.09729	24.3
248.08253	12.1
249.09155	4.4
250.06189	2.1
251.10651	4.4
254.05782	9.2
255.06505	2.7
256.07401	4.2
258.06750	3.0
259.07587	3.2
260.08459	4.5
261.09033	4.7
262.09900	5.4
263.07132	3.9
263.10715	11.0
264.07803	7.4
265.08728	5.9
267.06580	8.8
269.08136	24.5
271.09680	7.2
272.06815	3.4
275.07034	5.4
276.07849	9.1
277.05276	2.1
277.08633	5.5
279.10229	7.0
282.08832	15.2
290.09390	5.5
291.10147	17.7
292.07324	2.8
292.11087	2.7
293.08228	12.7
294.08774	3.9
299.09186	5.9
300.06393	3.0
301.07202	3.8
305.08041	3.1
306.08798	2.7
307.06348	2.2
307.09402	13.0
308.10458	5.2
310.08313	10.7
315.08649	65.0
316.09329	2.2
318.08539	2.5
319.09686	7.9
321.07690	3.9
321.11176	3.7
322.08395	3.3
323.09244	3.0
323.12790	15.8
328.09390	6.9
330.10980	78.0
331.11697	13.9
336.10083	3.3
337.10791	9.2
338.11700	2.3
339.12250	9.6
343.11752	17.4
351.12363	27.3
352.12872	4.5
353.10165	7.2
356.12674	3.5
368.12479	9.7
369.13235	5.8
371.14859	2.8
383.14917	60.7
391.98334	2.2
401.15970	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1598
Annotation	Gomisin R
Peak:m/z	Relative Intensity
50.39792	5.2
53.03968	5.4
55.01870	5.7
57.03430	5.4
68.90701	4.0
69.03422	5.6
69.07068	5.5
69.74689	30.1
79.05490	24.5
81.03418	7.9
81.07046	8.9
85.02929	5.9
91.05486	20.6
93.07050	12.5
95.04948	8.8
97.06544	7.5
98.21498	11.8
100.44382	5.1
103.05476	12.3
105.07055	14.9
106.04162	7.1
107.04954	40.1
107.08572	5.6
109.06572	5.2
117.07024	7.9
119.04946	7.9
121.02842	10.4
121.06514	19.6
123.04466	5.0
123.08093	5.2
124.05223	6.6
131.04945	16.3
131.08562	12.5
134.06049	6.9
135.11754	5.3
137.05957	6.4
141.07091	8.1
142.07745	5.3
143.08504	4.9
144.05746	7.8
145.06516	6.7
147.04445	8.0
149.06001	17.0
151.07466	4.8
152.07111	7.3
153.01811	12.5
153.09167	6.6
156.05678	10.6
159.08101	18.0
161.05943	8.5
163.07599	8.4
167.07056	100.0
173.05995	10.2
175.07573	6.2
177.05475	35.7
181.04948	6.9
181.08559	12.3
187.00304	5.3
187.07516	9.2
191.07050	41.3
194.07359	8.6
202.07845	9.9
205.08607	12.7
208.05135	12.1
209.08092	20.9
217.08556	29.9
219.08105	17.0
219.10168	8.2
221.05981	9.3
230.07077	5.5
231.08028	8.8
234.06538	6.2
235.07695	11.7
236.04616	6.0
236.08365	13.2
237.09087	10.3
245.09715	5.9
247.07515	24.1
247.09737	17.1
248.08382	15.9
249.09163	5.8
250.06325	7.0
251.06955	6.1
251.10521	7.3
254.05878	7.0
255.06657	6.7
261.09131	14.2
262.06186	8.3
262.09860	8.1
263.06958	5.5
264.07861	6.5
265.08536	10.7
269.08115	19.8
275.07147	10.0
276.07849	12.5
277.08630	10.4
279.06995	5.3
279.10220	12.9
282.08887	15.0
283.09924	7.9
287.05585	12.7
290.09537	8.5
291.10205	16.4
293.08163	16.9
297.07846	6.0
299.05515	22.6
299.09183	26.6
307.09631	20.4
308.10461	8.9
309.07578	5.6
310.08246	6.2
311.05563	17.1
311.09152	10.5
313.10779	16.2
315.08679	53.9
319.09628	9.1
321.07523	8.4
323.12656	11.6
325.10767	12.1
330.11011	69.5
336.09985	8.2
337.10788	13.8
339.08530	16.2
339.12360	16.9
343.11868	29.0
351.12292	38.3
353.10226	12.3
358.14111	44.2
368.12582	15.9
369.13577	38.2
371.15265	6.7
383.07672	8.2
383.15012	97.9
393.71292	5.8
401.16440	42.5
401.28094	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	401.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12827	1.2
56.96305	2.3
56.96571	35.5
57.03450	1.7
61.02926	1.4
61.05362	1.4
65.69410	1.3
69.03429	4.0
70.06590	2.7
70.75502	1.2
71.48686	1.5
71.49046	1.9
71.95280	2.4
72.08149	2.1
73.02908	1.7
74.97646	1.4
81.03397	1.4
84.96040	11.2
85.02908	9.5
97.02902	10.8
98.19475	1.4
98.97592	100.0
110.07144	1.4
110.97581	45.9
112.07600	3.1
112.99146	5.3
116.98633	32.3
124.99099	1.6
127.03915	3.1
128.98616	36.0
128.99579	1.8
130.08696	2.6
131.00197	6.2
134.99677	6.2
135.04449	4.0
136.06212	12.7
137.06575	3.3
140.98616	3.5
143.00162	9.2
144.98097	2.8
146.99675	15.9
147.04387	3.0
149.01250	1.9
152.98633	2.0
153.01917	6.9
156.03380	1.6
158.97478	2.0
158.99670	12.5
161.01219	7.2
162.99153	1.7
163.03931	12.8
163.97807	2.6
164.04269	3.6
168.95862	2.3
170.99707	9.2
174.04376	2.3
174.99086	1.7
177.00737	9.8
179.00255	2.3
179.02325	1.6
181.98897	15.2
185.01346	1.5
186.04393	4.3
189.00702	8.0
197.01158	2.6
199.99950	18.4
201.00645	9.1
204.05493	2.0
209.01248	1.8
210.99101	3.1
211.02786	2.8
212.13229	1.5
213.00720	3.7
215.02290	2.8
218.00906	2.0
219.01779	66.8
226.98738	2.5
227.02203	2.2
229.00221	5.8
234.98962	10.7
237.02843	97.0
239.02498	2.3
242.03415	1.7
243.01830	1.8
244.99608	2.6
251.02293	2.0
255.03874	4.4
257.03351	3.6
259.99997	5.3
269.03271	2.6
269.10794	4.5
275.02237	3.1
278.00925	4.1
281.03366	3.8
287.04425	1.7
293.03241	4.3
297.14731	1.7
299.04428	3.3
309.53644	1.5
311.04034	1.6
326.03177	6.1
334.98682	1.5
341.05450	12.9
344.04095	2.8
352.88358	1.5
355.01175	4.9
359.06506	44.8
377.07596	2.6
383.00314	2.0
394.99139	3.0
401.07660	46.6
419.08609	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.4
55.68917	4.0
62.96378	4.3
69.03442	12.2
69.24290	9.2
69.24688	41.9
71.04996	61.7
72.04379	4.0
81.02987	7.4
81.03425	57.8
81.07082	7.0
85.02902	9.9
85.06547	16.2
95.04958	4.9
97.02908	14.1
98.20767	5.7
99.04468	24.6
109.06530	9.2
113.06059	8.6
119.08569	5.8
121.10225	5.5
123.08112	4.4
127.03898	3.9
127.07581	24.9
128.68138	3.7
131.07065	5.0
139.03900	5.0
145.08607	100.0
150.33270	4.5
155.07057	7.0
157.04993	31.6
158.35394	4.4
217.07204	5.0
329.12378	15.1
347.13391	94.9
411.18716	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	401.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80939	0.9
53.08009	1.0
53.83165	0.9
56.96574	6.0
60.17514	1.0
69.23736	0.8
71.30241	1.2
71.95267	1.8
98.97588	100.0
99.97935	1.0
100.97179	1.2
100.98019	1.5
116.98631	36.3
134.99658	9.5
135.14980	0.8
146.77899	0.9
172.94391	1.3
190.95447	1.5
214.95399	1.4
216.98787	1.6
232.96423	3.5
234.99805	1.8
240.98772	3.3
250.97473	1.2
256.96530	6.5
258.99774	40.4
259.99881	1.6
260.99902	2.1
261.03073	1.9
263.02765	1.5
274.97522	38.3
275.97934	3.4
276.97665	4.8
277.00797	38.9
283.00037	3.4
284.00174	1.2
292.98587	16.6
294.98691	3.5
297.98685	0.9
300.97818	1.6
301.01154	3.0
382.99957	3.8
400.96967	1.0
401.01086	12.0
418.97876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.8
53.03952	2.2
55.01853	0.7
55.05513	1.1
56.39133	0.5
57.03444	0.9
61.02940	3.4
67.05501	1.0
67.76911	0.4
68.99792	3.6
69.03424	1.7
69.07063	0.5
69.28848	3.7
71.04990	1.2
71.78709	0.4
79.01858	5.7
79.05513	0.7
81.02950	0.6
81.03426	13.3
81.07074	1.2
84.08154	8.5
85.02918	9.8
87.00838	2.4
90.56137	0.5
91.05486	1.3
93.07070	1.1
95.08617	2.0
97.02907	2.8
97.06543	0.6
97.10152	0.6
99.04450	1.6
99.08069	0.4
101.08013	0.4
103.64079	0.4
105.01855	0.7
105.07037	1.8
107.01322	2.4
107.08598	1.2
109.02896	8.8
109.10165	1.0
119.05011	0.5
119.08598	1.3
119.39307	0.4
120.11877	0.4
121.10151	1.0
125.02359	3.4
127.03929	14.9
129.01852	6.9
129.06979	0.5
130.08641	1.0
131.08606	1.0
133.10146	1.2
135.08083	0.7
135.11687	0.6
143.03406	5.7
143.08528	0.6
145.10120	1.2
147.02913	4.3
147.11696	0.6
153.01848	100.0
153.02924	6.7
154.02190	0.7
157.10043	0.7
159.11819	0.5
167.07153	0.6
171.02902	1.7
171.11783	0.7
181.10034	0.5
183.11728	0.6
195.03098	0.5
211.14958	0.8
213.03961	0.8
249.16357	0.5
312.48181	0.5
338.30338	0.5
401.07333	1.7
401.28119	3.6
401.33914	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1263
Annotation	CHEBI:67970
Peak:m/z	Relative Intensity
52.33400	0.5
54.66553	0.5
56.96568	1.9
59.46021	0.5
59.90605	0.5
60.02044	0.5
65.25089	0.5
68.59768	0.5
69.51347	0.7
69.51756	3.1
70.06598	0.7
71.08627	0.9
72.35564	0.6
84.96021	0.7
85.02896	2.3
97.02916	2.8
98.97577	3.5
102.96844	0.5
110.97580	0.9
111.27596	0.5
113.03040	0.6
116.98646	0.8
131.00307	0.5
136.06201	5.0
137.05974	0.6
143.00165	0.8
143.95389	0.6
147.04453	0.9
161.01135	0.5
163.03902	0.9
165.45490	0.6
210.46880	0.5
211.05495	0.5
211.07449	0.7
213.00690	0.7
219.01704	1.3
237.02823	1.6
250.09354	1.5
250.51869	0.6
262.21390	0.5
339.03937	1.1
350.59387	0.7
357.04895	0.7
399.12653	100.0
400.13239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86788	0.7
53.03958	1.3
55.01860	1.5
57.03448	5.6
61.02932	2.0
66.61858	0.7
69.03436	7.7
69.79463	2.0
69.79853	2.4
71.05003	1.7
75.04504	1.0
81.03430	4.5
85.02917	24.0
87.04487	1.5
91.03993	0.9
91.05461	0.9
97.02904	7.7
98.21471	1.3
99.04469	2.5
102.04677	1.2
103.03964	1.8
103.05479	44.5
105.07011	1.5
109.02877	4.1
111.03699	0.9
115.03954	0.9
115.05489	1.1
117.05488	1.9
126.72085	0.9
127.03938	6.2
129.05490	0.9
130.04192	0.8
131.04948	100.0
135.04462	0.8
145.02872	1.3
145.04970	3.7
148.05214	10.5
149.06004	1.0
159.06409	0.9
160.05293	0.9
161.05992	3.1
162.06677	1.0
163.07561	46.2
175.07634	1.6
200.59778	0.9
201.09177	1.4
237.11273	1.7
399.15366	2.8
407.20532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	28.4
61.02908	5.4
69.03436	89.2
69.07072	24.8
70.95953	11.0
73.02921	6.1
79.41932	5.0
81.03434	7.6
81.07070	5.2
81.59084	4.9
85.02911	86.2
87.04484	51.2
93.07016	6.1
95.55443	4.2
97.02906	71.7
99.04459	6.9
111.08082	14.5
115.03938	84.8
127.03944	11.2
130.65283	4.5
133.04974	100.0
145.02858	4.7
145.04988	24.5
150.07664	11.5
163.06015	15.1
169.05000	4.5
177.05441	7.4
224.74126	4.4
236.28867	4.5
259.08237	5.3
260.20676	5.0
277.09424	5.9
309.57642	4.2
330.11789	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	398.9764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66363	0.3
51.73724	0.4
56.96305	0.4
56.96568	6.1
69.61384	1.5
69.61796	0.9
71.95265	2.1
98.97591	92.2
116.98629	35.8
130.93318	0.5
134.99675	7.3
140.00198	0.7
153.00716	0.6
172.94363	4.5
179.23149	0.4
190.95380	2.3
197.95229	0.5
214.95439	3.0
219.02032	0.7
232.96487	6.5
250.97557	2.0
256.96454	19.6
258.99805	3.6
261.03082	1.5
273.99417	0.4
274.97525	100.0
275.97919	0.9
276.98096	0.6
277.00739	2.3
282.99924	1.1
284.99875	0.8
288.99252	0.4
292.98578	42.6
297.99078	1.6
298.97662	0.8
301.01108	0.9
303.00821	0.7
316.98862	0.7
358.05469	0.4
398.97589	1.6
416.98700	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	397.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79782	2.3
55.05514	17.8
57.07077	17.6
67.05508	30.8
69.07064	25.8
70.74580	6.9
71.08630	15.0
79.05492	15.4
81.07057	48.1
83.08632	14.5
85.10175	9.6
87.49130	2.1
91.05475	20.3
93.07048	26.0
95.08606	48.1
97.10166	12.7
105.07035	31.8
107.08595	24.3
109.10163	35.5
111.11691	6.0
119.08585	27.2
121.10142	20.0
123.11713	12.1
131.08588	3.4
133.10130	20.3
135.11688	34.7
137.13261	8.3
139.23926	2.2
145.10130	5.9
147.11690	54.4
149.13246	18.4
159.11720	7.5
161.13272	40.8
163.14822	7.5
165.16441	3.3
173.13307	5.0
175.14796	16.0
175.18840	2.6
177.16409	4.4
187.14803	5.1
189.16360	11.4
200.31537	2.3
201.16397	4.0
203.18001	8.7
215.17934	11.4
217.19409	4.1
229.19472	5.0
233.22626	2.4
243.21095	5.3
257.22763	7.0
261.25824	4.7
273.25790	3.1
287.27405	6.7
301.29056	2.9
302.34549	2.3
315.30432	4.6
397.38290	100.0
398.38556	3.1
400.41272	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	397.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.4
55.05508	13.3
57.07067	6.0
65.03930	2.4
67.05505	22.4
69.03402	1.4
69.07070	18.3
71.50492	1.8
79.05495	19.6
80.35632	1.4
81.07059	40.3
83.08624	11.3
85.06534	3.1
91.05484	20.0
93.07045	54.1
95.04987	1.6
95.08611	64.2
97.06490	1.8
97.10158	4.6
99.08099	5.8
105.07036	37.2
107.08597	56.0
107.23453	1.3
109.06496	2.2
109.10162	61.6
111.08038	1.4
111.11752	2.9
117.07013	4.5
119.08587	53.0
120.08878	1.3
121.10149	100.0
123.08076	2.2
123.11718	15.7
129.07002	2.6
131.08594	13.0
133.10135	59.0
135.08076	1.8
135.11697	45.0
137.09642	1.5
137.13261	4.6
139.20660	1.2
142.07755	1.3
143.08569	5.6
145.10110	18.1
147.11697	34.3
149.13271	14.4
157.10170	6.9
158.11008	1.6
159.11690	18.4
159.21304	1.2
160.12489	1.7
161.13271	24.5
163.14822	13.2
169.10179	3.0
170.10890	1.6
171.11667	6.4
173.09692	3.1
173.13281	19.2
175.14850	30.7
177.16409	12.8
182.87921	1.3
183.11708	1.6
185.13251	5.4
187.14844	19.3
188.22783	1.4
189.16399	19.9
191.14299	2.1
191.17946	56.7
197.13310	2.1
199.14789	5.3
201.16393	10.6
203.17932	27.2
205.15906	5.4
205.19519	4.6
211.14798	1.9
213.16367	3.6
215.14421	1.5
215.17953	10.0
217.16074	1.7
217.19507	25.1
223.16927	2.3
225.16370	1.7
227.17947	4.7
229.19516	8.9
231.21062	3.0
239.18044	1.7
241.19504	6.1
243.21103	3.8
257.22556	3.3
269.22665	2.3
283.06308	1.7
283.24191	2.4
295.24228	4.1
301.25250	3.5
309.25879	1.7
313.25375	3.5
323.27563	1.6
325.28864	16.1
379.30496	1.7
379.33823	10.6
397.30740	7.7
397.34674	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25827	2.7
55.05526	15.9
56.79627	2.5
56.83572	2.8
57.07064	9.6
65.03941	4.0
67.05514	27.0
69.07072	19.8
71.01577	4.9
71.04977	2.9
76.86703	2.6
79.05488	19.9
81.07061	40.9
83.05017	3.7
83.08629	10.3
85.06545	4.3
91.05497	25.3
93.07054	58.6
95.04975	4.2
95.08613	64.4
97.10200	6.7
99.08126	6.0
105.07036	42.7
107.08604	59.8
108.08894	3.0
109.06554	3.5
109.10167	65.3
110.10521	3.0
117.07014	6.6
119.07822	4.8
119.08598	64.3
121.10156	100.0
122.10442	3.3
123.08057	3.0
123.11720	19.2
129.07022	6.3
131.08569	22.3
133.10143	57.9
135.08089	3.6
135.11700	42.7
137.13295	3.6
143.08578	10.1
145.10147	26.3
147.11694	33.6
149.13254	15.7
157.10115	15.4
159.11707	23.5
161.13274	19.5
163.14833	15.2
169.10109	4.2
171.11729	5.3
173.13283	21.9
175.14851	30.7
177.16441	12.7
183.11598	3.1
185.13290	7.0
187.14848	15.6
189.12849	3.1
189.16389	24.5
191.03491	3.2
191.17963	55.2
199.14819	8.4
201.16415	11.0
203.17969	28.5
205.15901	5.7
205.19496	5.4
213.16440	7.5
215.17906	4.8
217.19516	27.7
227.17892	5.9
229.19485	12.6
241.19455	9.1
269.22565	4.5
287.23837	3.3
301.25366	3.0
323.23602	3.2
325.28867	13.7
379.33920	6.4
397.26743	12.3
397.31317	8.3
397.35263	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	397.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
53.03946	3.3
55.05521	15.6
57.03435	1.6
57.07092	7.8
61.02912	3.1
67.05187	1.9
67.05514	23.5
68.63879	1.4
69.03403	2.7
69.07075	17.5
70.67368	2.3
70.67715	3.1
70.95879	1.9
71.08617	3.4
72.93775	2.6
79.05067	2.5
79.05501	25.8
81.03416	3.6
81.06595	2.3
81.07063	43.6
83.04979	1.4
83.08627	11.4
85.02874	2.0
85.06533	3.3
85.10197	1.8
89.06016	3.2
91.03963	1.4
91.05481	20.7
93.07047	59.7
95.04974	3.3
95.08617	60.1
97.02901	1.8
97.10173	5.8
98.62463	1.3
99.08076	4.6
103.70866	1.3
104.96400	1.3
105.07041	37.0
107.07882	3.2
107.08602	55.1
109.06515	1.9
109.10163	49.8
111.11729	4.3
117.07025	6.4
119.08590	46.7
119.09247	1.1
120.08885	2.4
121.06488	6.6
121.10149	100.0
122.10493	1.9
123.11719	21.0
130.17523	1.5
131.08597	11.2
133.10139	53.0
134.10519	2.1
135.11705	48.7
137.13257	6.3
143.08568	4.2
145.10136	16.0
147.11705	25.9
149.13283	22.0
151.14807	2.1
157.10126	6.7
159.11697	16.2
160.12396	2.1
161.13281	27.7
163.14832	15.4
165.09106	2.7
171.11703	5.9
173.13251	17.2
175.14839	34.3
177.16382	12.2
179.14302	1.5
184.07445	1.5
185.13255	4.6
187.14827	13.2
189.16386	21.6
191.17963	59.1
197.13226	1.7
199.14815	4.5
201.16382	11.3
203.17961	25.0
205.15826	5.1
205.19485	9.6
207.17500	1.8
211.14874	1.9
213.16335	3.5
215.17885	7.3
217.19527	24.8
223.44644	1.5
225.16423	2.2
227.17894	3.7
229.19568	8.2
231.21172	2.3
233.18994	1.5
239.17979	2.0
241.19438	3.4
243.21074	5.1
255.20929	2.1
257.22693	3.2
265.05188	3.6
269.22751	2.1
283.06366	5.3
283.24200	3.4
295.23840	1.8
301.25214	3.2
309.25775	2.6
313.25375	2.5
323.27335	2.0
325.28915	14.6
333.15100	3.2
355.29568	1.8
379.29694	2.2
379.33780	10.8
397.30939	6.5
397.34930	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3102
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
53.03936	6.1
55.05513	30.1
57.07068	6.6
67.05508	33.1
69.07081	25.1
71.50941	5.2
79.05492	35.2
81.07058	52.4
83.08611	7.9
84.08131	3.5
91.05481	35.7
93.07050	90.8
95.04970	6.3
95.08610	51.6
97.10157	4.9
99.08088	5.1
105.07036	66.0
107.08606	79.8
109.06528	6.3
109.10165	53.7
115.05464	4.3
117.07005	16.4
119.08581	68.2
121.06493	5.4
121.10159	67.4
123.11697	15.9
129.07013	11.8
131.08594	32.3
133.10124	42.5
135.08067	4.7
135.11699	53.7
137.13263	6.3
142.07777	6.0
143.08560	22.1
144.09291	5.4
145.10124	54.6
147.11693	46.2
149.13245	16.4
151.11185	4.0
156.09354	5.2
157.10147	31.2
158.10898	4.4
159.11707	48.4
161.13275	28.7
163.14819	7.2
169.10155	7.8
170.10867	4.4
171.11700	27.2
172.12549	5.4
173.09610	3.8
173.13269	31.5
175.14844	38.3
177.12718	5.5
177.16405	9.1
181.10062	3.8
183.11705	13.4
185.13211	19.7
187.14844	41.3
189.16388	11.5
191.17957	4.6
197.13292	10.0
199.14847	12.7
201.16396	16.4
203.14281	3.4
203.17984	8.6
205.15884	41.2
209.13283	5.5
211.14832	8.2
213.12663	3.4
213.16333	10.2
215.14444	3.9
215.17955	9.3
217.15865	5.7
223.14868	7.4
223.16873	28.4
225.16414	9.5
227.17955	33.4
229.19464	5.3
233.15584	3.4
237.16492	5.1
241.19415	9.8
265.19550	5.3
281.22787	3.9
283.20511	3.7
301.21661	30.6
361.28912	15.0
379.29980	35.9
397.31021	100.0
397.82892	3.7
409.18726	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.05513	12.9
56.22503	1.2
57.07082	7.2
67.05505	22.6
69.07069	18.5
69.11761	1.4
69.79268	1.4
71.49859	1.5
71.50220	2.1
77.03880	2.3
79.05494	18.5
81.07063	35.3
83.08616	11.8
85.06535	1.4
91.05471	19.3
93.07049	57.1
95.05032	1.6
95.07990	3.1
95.08611	62.2
97.10173	6.0
99.08107	6.4
105.04559	1.4
105.07041	34.6
107.08598	55.2
109.10165	66.8
110.10479	1.5
111.11739	3.0
117.07020	3.4
119.07735	1.9
119.08585	48.5
121.10149	100.0
123.11720	18.6
131.08557	8.0
133.10136	57.9
135.11693	44.3
137.13254	5.0
143.08597	3.1
145.10138	12.5
147.11693	33.6
149.13239	16.3
157.10133	3.4
159.11697	13.4
161.13263	21.6
163.14819	13.9
166.65749	1.2
171.11685	3.5
173.13263	18.1
175.14830	31.4
177.16405	10.5
182.11082	1.8
185.13269	3.5
187.14830	17.2
189.16402	24.4
191.14287	2.3
191.17955	66.2
197.13242	1.5
199.14845	3.7
201.16403	13.1
203.17943	32.4
205.15883	3.7
205.19478	8.0
213.16454	5.8
215.17958	9.3
217.19531	33.3
227.18106	2.2
229.19589	8.2
231.21159	2.3
241.19534	6.1
243.21097	3.5
255.21185	3.1
257.22629	2.2
269.22781	2.0
283.24213	4.8
295.24170	3.8
301.25247	5.1
309.25699	3.5
313.25339	3.4
325.28870	16.6
327.26709	2.3
363.15192	1.4
379.33429	13.2
397.34702	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	397.3103
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
53.03939	2.7
55.01870	5.2
55.05517	9.6
57.03414	2.2
57.07066	3.1
57.22565	1.6
60.41271	1.4
61.02931	2.6
61.99657	1.7
63.12764	1.6
67.05513	11.8
67.10316	1.6
69.03448	2.2
69.07079	10.0
70.74869	1.3
71.08614	1.7
79.05497	11.4
81.03385	1.6
81.07059	18.4
83.08617	5.0
85.02924	2.3
85.06554	10.1
91.05489	13.7
93.07040	22.6
95.08623	22.6
97.10172	2.3
97.96742	1.7
99.19481	1.8
105.07037	20.2
107.08601	25.9
109.10172	17.7
111.08091	21.3
114.20188	1.6
116.21399	1.6
117.07048	3.7
119.08600	27.6
121.10151	21.7
123.08060	1.9
123.11726	10.6
125.09659	1.8
129.07021	4.3
131.08606	9.1
133.10155	18.3
135.11703	20.5
137.09616	2.4
137.13271	4.2
139.11153	2.8
142.07747	3.2
143.08534	9.6
144.95851	1.7
145.10136	15.7
147.08037	1.9
147.11694	14.9
149.13263	7.4
151.11165	4.7
153.12784	2.7
155.08568	3.4
156.09358	2.7
156.91026	1.5
157.10152	12.8
159.11691	16.0
161.09673	2.0
161.13275	5.4
163.14798	2.9
165.12747	3.6
168.09366	1.8
169.10132	9.4
170.10924	2.3
170.54169	1.7
171.11703	14.5
173.13252	6.6
175.11166	4.9
175.14883	4.7
177.12746	4.9
177.16351	3.2
178.27748	1.6
179.14343	2.7
183.11707	9.0
185.13261	10.8
187.14853	5.9
189.12772	4.0
189.16420	3.5
191.14285	2.5
195.11749	1.8
197.13268	5.1
199.14856	6.5
201.16426	4.9
203.14169	2.9
203.17924	2.1
207.11731	2.4
209.13232	3.9
211.14856	5.2
213.16400	6.8
215.18005	2.9
217.16026	2.5
219.17419	1.9
223.14873	3.7
225.16353	7.9
227.17972	3.5
228.97002	1.8
229.15945	3.1
231.17468	2.9
237.16460	2.9
239.17804	2.6
241.19472	2.1
243.17416	6.7
249.16389	2.2
251.17865	2.7
253.19373	3.1
259.20633	2.5
283.06247	2.7
283.20673	3.1
287.09998	1.6
295.20755	1.8
297.22098	2.0
299.23654	2.7
319.24149	2.1
323.23831	2.4
333.15250	2.3
339.26709	3.9
361.28998	2.8
367.29715	2.5
379.29919	17.1
397.31042	100.0
398.31372	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	397.3102
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
53.03939	4.7
55.05514	12.3
57.07067	5.0
63.84125	2.0
64.35886	2.5
65.03921	2.6
66.91960	2.0
67.05168	4.0
67.05505	31.3
69.07069	20.2
70.76071	5.0
72.17401	2.3
78.54865	2.1
79.05075	3.7
79.05495	43.7
79.12139	2.5
81.07062	43.4
83.04999	3.1
83.08630	11.9
85.06548	5.6
91.05479	35.7
92.11385	2.5
93.07042	68.2
95.04955	4.3
95.08611	44.3
97.06493	3.3
97.10159	3.4
99.08103	4.8
105.07037	55.8
107.08598	66.8
109.06522	7.0
109.10156	41.7
111.08101	5.2
111.11703	2.2
117.06992	15.2
119.08586	68.1
121.06532	2.7
121.10149	53.2
123.08109	3.4
123.11707	16.4
125.09628	6.0
129.06987	8.6
130.07777	4.3
131.08556	31.5
133.10132	46.3
135.08003	4.7
135.11702	46.2
137.09621	3.6
137.13246	4.2
139.11160	2.3
141.07080	2.7
142.07758	4.7
143.08574	17.1
144.09250	4.5
145.10117	45.7
146.10822	2.8
147.11693	38.1
149.09636	3.7
149.13269	16.7
151.11205	7.4
155.08643	5.1
156.09319	5.3
157.10126	24.4
158.10925	3.4
159.11693	50.6
161.09647	3.6
161.13261	23.0
163.11180	12.6
163.14841	12.3
165.12732	3.0
169.10138	7.6
170.10861	3.0
171.11685	19.5
172.12308	3.0
173.13275	32.3
175.11301	2.7
175.14818	31.9
177.12796	15.4
177.16397	13.2
182.11002	2.8
183.11708	7.8
185.13252	23.8
186.14119	4.7
187.14842	29.3
189.16408	11.7
191.14326	25.5
191.17917	3.7
195.11623	3.5
197.13274	10.0
199.14777	14.7
201.16385	15.3
203.14352	4.1
203.17868	6.0
205.15849	40.1
207.11694	3.2
209.13281	4.3
211.14801	6.0
213.16344	11.3
215.14323	4.4
215.17921	9.2
217.15961	5.4
217.19562	2.9
219.17552	4.0
223.15036	3.7
223.16928	15.6
225.16406	6.6
227.17955	20.9
229.15959	2.7
231.17422	2.6
237.16412	4.1
239.18060	2.9
241.16019	2.7
241.19489	11.2
253.19464	5.5
255.21028	3.4
257.18945	2.5
269.19016	2.9
269.22577	2.7
275.20007	3.3
281.22565	6.4
283.20502	6.1
301.21609	17.1
325.28671	3.7
351.26941	3.5
351.30963	3.0
351.73468	2.4
361.28967	15.6
379.29990	36.3
397.27335	5.7
397.31009	100.0
398.31808	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	397.1647
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
55.52367	1.3
57.03432	1.3
67.05520	1.9
70.65517	3.6
79.05488	3.6
81.03438	1.8
81.07037	2.5
91.05490	10.7
94.04196	4.1
95.04955	1.7
103.05493	2.9
105.07063	3.5
107.04980	2.5
107.08739	1.7
109.06557	1.4
110.23608	1.4
115.05441	2.6
117.06995	1.9
119.04934	6.4
122.03656	6.4
125.06036	1.6
128.06226	4.9
129.07002	7.8
131.04935	3.2
131.08566	6.2
133.10161	1.5
135.04401	2.1
137.05989	94.2
141.06993	4.2
142.07739	2.2
143.08534	2.2
144.05736	4.0
145.06522	2.1
146.03569	1.4
146.07292	1.4
147.04437	3.8
149.05957	6.7
151.07545	13.7
153.06937	1.8
154.07869	2.3
155.08505	5.6
157.06438	3.0
157.10051	1.7
158.07303	3.6
159.08060	6.9
161.05986	15.4
161.09642	2.6
163.07500	1.4
165.06985	5.7
167.08527	3.2
171.08032	4.0
172.05269	2.1
172.08885	4.2
173.09682	2.0
175.07501	4.2
181.06573	2.8
182.07289	5.7
183.04559	1.7
183.08092	4.8
184.05309	2.2
184.08792	2.7
185.06133	1.7
185.09566	10.7
187.07564	6.8
187.11307	1.8
189.09160	3.5
191.07004	5.6
195.08073	2.8
197.06010	2.5
197.09570	10.9
198.06787	18.9
199.07571	12.4
199.11183	1.6
200.08284	2.0
201.09145	3.3
202.07803	1.7
205.08516	1.7
209.09644	1.5
210.06776	5.8
211.07544	5.0
212.08302	5.9
213.09137	20.3
214.09937	1.4
215.08768	2.6
215.10677	8.3
216.09366	1.9
217.08514	2.3
225.09122	17.2
228.07747	2.2
229.08505	3.0
229.10468	1.8
230.07094	1.4
231.08028	2.4
231.10178	2.0
232.08842	1.7
233.09564	3.5
243.08038	2.5
243.10201	20.4
245.09647	3.4
245.11826	2.7
246.10426	2.0
246.16379	1.3
247.07552	2.2
248.08585	1.5
248.34216	1.4
249.09291	1.8
255.10136	8.5
257.09702	3.2
258.06870	1.5
259.11261	1.9
260.08221	2.8
261.09058	5.1
262.10049	2.1
263.10577	2.2
264.07779	2.5
265.08548	3.9
267.01648	1.5
271.07504	2.9
273.11267	70.0
275.07443	1.8
275.10715	4.5
276.07846	4.3
276.11060	1.3
277.08521	4.6
277.12122	2.2
278.09357	2.2
285.09183	4.0
286.09866	2.8
287.10559	2.3
288.08002	2.3
289.08679	3.9
289.12213	3.2
290.09415	1.4
291.10272	8.7
291.13150	1.2
292.07523	2.4
292.11050	3.2
293.08136	3.9
293.11679	4.1
301.08636	3.6
301.12030	1.7
302.09476	2.4
302.76572	1.5
303.10165	5.7
304.10938	3.1
305.08356	2.4
305.11789	5.0
307.09695	11.2
308.10403	5.7
317.11749	4.7
319.09729	3.2
319.13193	2.8
321.11261	7.8
323.12720	1.8
325.10742	3.2
329.11786	1.8
333.11273	5.2
334.12100	3.5
335.12695	8.0
336.13480	3.2
339.12305	4.0
349.14407	5.2
350.37003	1.7
351.12283	12.8
353.13947	3.7
354.14645	20.3
361.14453	1.9
364.12674	1.5
365.13641	3.0
367.15298	3.9
379.15393	11.8
397.16504	100.0
398.17001	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	397.1472
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
62.18898	0.9
69.03394	0.8
70.06590	1.1
70.26198	1.7
70.26590	2.1
71.04961	0.8
85.02908	1.1
98.97567	1.7
124.12078	0.7
155.93886	0.8
175.63992	0.9
185.04239	2.7
187.07555	1.1
193.08575	1.0
219.01802	1.5
219.06325	1.2
229.91281	0.9
234.08646	8.9
235.05727	1.0
235.09456	6.2
253.17453	0.8
259.69211	0.8
262.08878	0.8
278.44965	0.8
303.05060	3.0
367.13773	0.9
397.14734	100.0
398.15158	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	397.1651
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
53.29606	1.2
67.05492	2.0
69.21256	12.9
74.34065	1.3
77.27689	1.1
79.05457	1.3
80.98009	1.1
81.03418	1.6
81.07056	2.3
82.46229	1.1
85.39803	1.0
91.05498	10.2
91.48028	1.1
94.04186	2.6
95.05002	1.4
103.05453	3.7
105.07016	3.0
107.04945	2.4
109.06538	2.6
111.04361	1.2
115.05448	2.4
119.04980	8.0
121.06499	1.4
121.10141	1.4
122.03642	8.7
123.04502	1.2
128.06224	4.1
129.07005	5.8
131.04924	3.6
131.08598	5.1
133.10146	1.3
137.05991	94.4
141.07019	4.8
142.07764	1.8
143.08560	1.8
144.05699	3.0
145.06480	2.1
147.04434	2.7
149.06003	4.5
149.09602	1.2
151.03931	1.5
151.07556	13.5
153.07039	4.0
154.07802	1.4
155.08565	5.7
157.06511	3.6
157.10150	2.8
158.07249	2.9
159.08075	7.8
161.06000	16.1
161.09613	2.8
163.07593	2.2
164.87715	1.3
165.07053	4.7
167.08600	3.3
168.05673	1.4
169.06537	3.0
170.07292	2.8
171.08099	4.1
172.05202	2.4
172.08881	2.7
173.06020	1.6
173.09627	2.4
175.07526	4.2
181.06480	3.1
182.07271	7.4
183.08089	5.4
184.08922	3.3
185.06067	2.3
185.09639	10.3
186.06731	2.3
187.07582	5.6
187.11200	2.5
189.09096	3.5
191.07072	6.7
193.06418	1.5
194.07259	2.5
195.08047	4.3
197.05859	2.1
197.09619	13.3
198.06793	17.4
199.07538	10.0
199.11111	1.8
200.04694	1.3
200.08357	2.6
201.09154	6.0
202.07803	1.7
203.08542	1.6
209.09662	1.3
210.06844	4.8
211.07564	4.8
212.08366	3.9
213.09135	21.9
215.08755	2.1
215.10661	7.1
217.08569	2.6
219.08093	1.7
224.08241	2.0
225.09131	14.8
227.10744	1.7
229.10208	3.5
231.08128	2.6
232.08849	1.8
242.09372	2.1
243.08040	2.5
243.10199	19.9
244.08734	1.9
245.09653	5.8
245.11868	2.3
246.10355	2.1
248.08423	2.4
249.09113	2.5
255.10201	6.6
257.09637	3.2
258.06894	1.6
258.10361	1.9
259.07568	2.4
259.11343	1.5
260.08383	2.0
261.09103	3.9
262.09738	2.8
263.10867	1.3
264.07907	1.9
265.08636	2.6
269.09442	1.9
271.07559	2.8
273.11292	75.8
274.09866	2.6
275.07166	1.9
275.10645	4.6
276.07870	4.1
277.08765	3.2
277.12070	2.3
278.09412	2.0
279.10138	1.6
285.09143	3.6
286.09869	2.4
287.10654	2.7
288.07956	2.7
289.08673	5.0
289.12265	4.2
291.10107	6.9
292.07449	2.4
292.10632	2.3
293.08176	4.3
293.11725	4.2
301.08560	3.4
302.09518	1.9
303.07095	1.2
303.10223	7.5
305.11749	4.6
306.08868	2.8
307.09744	11.8
308.10410	5.9
309.11307	2.4
317.11835	5.0
318.08685	1.8
319.09677	3.8
319.13345	2.9
320.10336	1.7
321.11276	6.6
322.12131	1.6
323.12527	1.3
325.10629	3.1
333.11218	5.9
334.12036	4.0
335.12711	5.9
336.13528	2.9
337.14456	2.7
339.12411	3.0
347.12817	2.4
349.14468	7.9
351.12274	14.6
351.16049	1.8
353.14023	3.0
354.14658	18.9
361.14273	2.3
365.14066	1.9
367.15479	4.7
379.15530	14.7
397.16510	100.0
398.16922	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	397.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33948	0.7
55.70418	0.6
55.82768	0.7
56.96563	2.3
64.31112	0.6
69.39713	5.5
71.74393	0.7
82.34104	0.7
85.02898	0.8
98.97600	1.1
100.89114	0.6
105.06982	0.7
132.95808	1.5
135.04428	1.3
144.83276	0.7
145.02773	0.8
147.04411	1.3
163.03891	5.1
164.04297	0.9
218.99678	1.7
234.96954	0.9
234.99049	1.3
237.00713	5.5
252.98045	1.2
255.01895	4.3
273.02927	3.5
277.00250	1.6
279.01584	1.0
295.01471	0.9
312.49521	0.6
336.59833	0.7
379.01001	0.8
396.01569	0.9
397.11063	100.0
398.11359	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1472
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
62.18898	0.9
69.03394	0.8
70.06590	1.1
70.26198	1.7
70.26590	2.1
71.04961	0.8
85.02908	1.1
98.97567	1.7
124.12078	0.7
155.93886	0.8
175.63992	0.9
185.04239	2.7
187.07555	1.1
193.08575	1.0
219.01802	1.5
219.06325	1.2
229.91281	0.9
234.08646	8.9
235.05727	1.0
235.09456	6.2
253.17453	0.8
259.69211	0.8
262.08878	0.8
278.44965	0.8
303.05060	3.0
367.13773	0.9
397.14734	100.0
398.15158	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	396.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05500	1.9
57.07065	1.4
59.61433	0.4
65.03938	1.8
67.05510	3.0
67.71899	0.4
69.07079	2.9
70.68208	0.9
70.68580	1.0
71.08636	3.5
77.03350	0.5
79.05489	2.5
81.07063	4.8
83.08625	1.2
85.06532	0.7
91.05485	100.0
92.05824	1.0
93.07053	4.2
95.04967	4.3
95.08608	4.6
97.06532	1.2
99.08111	1.1
105.07022	3.3
106.06561	11.9
107.08604	3.8
108.08127	18.8
108.08877	0.9
109.06520	7.6
109.10180	1.3
110.10533	0.4
116.43063	0.4
117.07030	2.0
119.08603	3.1
121.06505	1.3
121.10171	1.4
122.10523	0.4
123.08150	0.5
129.07036	1.2
131.08594	1.4
133.10162	2.5
135.08090	1.5
135.11586	0.7
137.09660	0.9
139.11226	0.5
143.08591	0.8
145.10095	2.6
146.10486	0.5
147.11673	2.1
149.13280	0.6
151.14851	0.5
155.08615	0.6
157.10138	1.0
158.10660	0.5
158.17929	0.6
159.11777	1.1
161.13283	0.9
163.11166	0.9
163.14877	0.6
165.12761	24.3
169.10175	0.6
173.13214	2.7
175.11148	1.0
175.14796	0.9
176.10698	0.8
177.12711	0.8
183.11739	0.6
184.11929	0.5
187.14827	1.0
189.12778	0.6
190.12286	0.6
191.14349	3.5
195.11586	0.5
199.14842	0.5
201.12788	1.2
214.16795	0.5
228.18213	0.6
229.19522	0.6
244.16969	1.8
271.20654	1.0
282.18582	1.1
289.21719	4.3
298.21564	5.1
378.28000	1.4
379.26212	0.9
396.29108	11.3
396.33521	1.6
397.28970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
54.84397	1.4
55.02524	1.6
55.05518	12.1
57.07079	19.8
57.63406	1.3
64.05991	1.3
65.03925	2.5
67.05512	24.2
69.07072	25.2
70.13443	6.2
71.08633	16.4
78.68651	1.3
79.05500	17.3
81.07059	62.3
83.08620	13.4
85.10191	9.0
89.05994	1.8
91.05479	25.8
93.07048	22.0
95.08614	44.8
97.10191	10.2
101.86403	1.4
103.05502	1.4
105.07036	35.1
107.08596	21.3
109.10174	22.9
111.11710	9.0
117.07011	17.2
119.08591	18.1
121.10146	13.2
123.11716	9.9
125.13251	3.1
129.07053	3.1
129.64044	1.5
130.07809	2.8
131.08565	21.2
133.10141	32.6
135.11714	7.4
137.13254	4.0
142.07764	2.4
143.08571	8.8
144.09354	2.0
145.10126	53.4
146.10451	1.4
147.11697	31.9
149.13235	5.5
151.14822	2.4
157.03198	1.6
157.10144	11.1
159.11703	41.3
161.13263	11.0
163.14830	3.5
171.11740	5.7
173.13268	15.0
175.14828	4.1
176.85760	1.4
182.05231	1.5
185.13287	6.2
187.14813	5.6
189.16388	2.1
199.14787	8.0
201.16426	3.7
213.16422	5.1
227.17972	3.1
241.19493	3.9
247.24249	4.0
255.21075	5.7
275.27490	1.9
395.36765	100.0
396.36917	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	396.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01867	9.9
56.01398	3.2
57.03434	3.6
57.07079	5.5
57.68239	2.8
67.05535	4.9
69.03416	12.2
69.07057	7.4
70.02944	5.2
70.62904	9.4
72.04530	27.7
73.02907	13.5
74.06079	3.4
81.03421	26.3
83.04974	5.4
85.02898	13.3
85.06547	10.3
86.09715	4.4
90.05563	42.0
95.04964	9.3
96.08134	3.5
97.02899	11.6
98.02425	18.0
99.04440	7.4
100.03994	4.9
101.07799	3.0
103.07587	4.4
109.02882	35.4
112.07652	3.3
113.05994	5.7
116.03472	15.4
120.08098	3.2
121.50351	3.3
124.07583	24.8
127.03921	16.2
132.06522	9.7
142.08655	15.2
145.04948	5.9
147.04420	8.0
160.09685	11.2
163.03900	10.1
172.09688	4.9
174.11290	3.2
184.09700	32.9
192.07692	17.8
198.07672	4.4
199.06006	6.2
202.10760	100.0
211.09694	11.0
216.08688	5.7
216.17941	2.9
217.07137	7.0
218.05646	14.6
220.11867	32.9
230.10278	10.4
234.09645	16.0
235.08315	22.9
262.12802	19.0
275.97263	3.6
310.12820	12.3
328.13919	43.9
346.14917	8.7
364.15891	16.0
378.17404	3.4
396.00967	4.0
396.09628	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	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25880	1.8
55.05507	9.2
57.07082	13.7
67.05244	2.1
67.05518	21.2
69.07076	21.5
71.08638	12.3
79.05493	13.2
81.07064	56.8
82.12193	2.2
83.08621	10.4
85.10188	10.4
91.05489	19.9
93.07046	15.6
95.08620	32.4
97.10201	10.0
98.21623	4.5
105.07050	32.4
107.08620	18.8
109.10169	18.2
111.11732	7.5
115.05405	2.4
117.06998	14.7
119.08588	16.2
121.10136	10.3
123.11695	8.4
125.13242	2.6
129.07054	2.7
130.07767	2.6
131.08595	15.3
133.10159	31.6
135.11716	9.5
137.13202	5.1
143.08575	5.7
145.10129	45.7
147.11703	26.6
149.13255	6.3
151.07509	3.1
151.14803	3.6
157.10141	8.8
159.11713	38.2
161.13263	7.0
163.14789	2.3
171.11761	4.0
173.13271	14.5
175.14755	2.8
185.13332	5.4
187.14842	6.2
199.14876	7.4
201.16408	3.7
213.16504	3.7
215.17896	2.5
221.22740	2.2
227.17937	6.0
229.04614	2.6
241.19524	4.6
247.24339	4.5
255.21127	3.6
275.27377	2.8
329.32034	2.3
342.49261	2.3
395.36777	100.0
396.37231	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64072	1.2
53.03942	2.1
55.05515	11.7
56.50352	1.4
57.07079	18.8
61.03243	1.5
65.03928	1.9
67.05508	22.6
69.06738	1.8
69.07079	24.8
71.08640	15.5
79.05489	13.5
81.06596	2.6
81.07061	47.8
83.08615	12.9
85.10190	8.6
88.78367	1.3
91.05495	19.0
93.07052	19.3
95.04950	1.5
95.08607	31.6
97.10169	8.3
105.07033	27.7
107.08604	18.5
109.10159	18.3
111.11723	8.7
115.05477	2.6
117.07004	14.5
119.08599	16.9
121.10144	10.5
123.11734	9.0
125.13261	2.5
129.06979	3.6
130.07782	2.4
131.08578	17.0
133.10146	28.1
135.11696	5.5
137.13234	5.1
142.07777	3.1
143.08574	5.7
144.09335	3.0
145.10130	46.0
147.11681	25.4
147.12802	1.7
149.13261	4.9
153.25685	1.5
157.10135	13.0
159.10474	2.8
159.11705	36.4
160.53360	1.5
161.13258	11.0
163.14861	2.5
171.11734	4.3
173.13263	13.0
175.14850	2.0
185.13306	5.4
187.14801	5.9
189.16496	2.0
193.19614	1.8
199.14825	7.0
201.16382	3.4
213.16432	5.3
215.18050	2.3
227.18033	4.2
241.19472	6.5
247.24268	1.8
255.21123	5.8
275.27420	2.4
282.23892	1.5
284.78342	2.4
301.28806	2.1
395.36765	100.0
396.37109	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.3
57.07077	4.2
65.03940	2.0
67.05511	21.4
67.15817	1.2
69.03405	1.2
69.07073	15.1
69.14902	7.3
69.15332	6.8
77.06842	1.3
78.43116	1.2
79.05499	14.4
81.07060	38.0
83.04985	1.5
83.08616	8.5
85.06551	4.3
91.05488	16.1
93.07056	31.1
95.04978	1.7
95.08614	53.1
97.10184	3.6
98.21468	2.8
99.08115	3.7
103.05500	1.3
105.07037	32.0
107.08604	43.9
107.09319	2.5
109.10165	29.0
109.10842	2.1
111.08156	1.9
117.07021	7.0
119.08596	49.5
121.06507	15.7
121.10151	31.2
123.08029	1.8
123.11729	12.1
125.09617	2.1
128.06242	2.1
129.07031	4.7
130.07822	3.9
131.08575	50.7
131.09546	2.7
133.10143	31.6
135.08092	2.4
135.11693	18.9
137.09669	2.1
137.13280	3.2
142.07811	3.0
143.08553	14.3
143.09358	1.2
144.09354	4.2
145.10136	75.4
147.08063	7.7
147.11682	17.0
147.12639	1.4
149.13251	15.5
151.14851	2.1
153.97908	1.3
155.08589	2.0
156.09378	2.1
157.10124	20.6
158.10905	7.3
159.11705	35.3
161.09631	17.0
161.13301	7.4
163.11234	1.9
163.14865	9.6
169.10159	3.0
170.10951	4.1
171.11674	10.7
172.12497	9.3
173.09772	2.3
173.13275	61.8
174.14105	4.0
175.11279	5.1
175.14857	19.3
177.16391	9.4
183.11745	3.5
185.13295	13.7
187.14832	100.0
189.12756	7.4
189.16418	9.4
191.17976	2.6
197.13339	2.9
199.14850	13.4
201.12723	1.6
201.16365	15.4
203.14412	1.6
203.18001	6.5
205.15874	2.2
205.19588	4.4
211.14920	1.9
213.13141	1.3
213.16429	8.2
215.14430	3.4
215.18050	5.8
217.19530	1.6
223.14978	1.5
225.16473	2.7
227.18034	4.5
229.15971	2.3
237.16446	1.6
239.17929	2.9
241.19479	1.8
253.19499	2.4
258.28357	1.3
265.19601	1.6
267.21216	1.4
307.24384	2.4
323.27536	2.2
339.27090	1.9
377.27957	2.3
377.32178	7.8
395.33307	65.4
396.33704	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	395.331
Annotation	Ergosta-5,7,22,24(28)-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03947	2.8
55.01852	1.0
55.05512	9.2
57.07071	4.0
58.12016	0.9
65.03934	2.2
67.05505	19.6
69.03394	1.1
69.06730	1.7
69.07071	18.5
69.31815	3.5
69.32241	4.4
71.05000	1.3
71.08610	1.1
79.05499	15.2
81.07058	40.1
83.04964	2.5
83.08629	6.4
91.05476	18.8
93.07044	33.4
95.04989	1.0
95.08608	53.1
96.08894	1.1
97.10171	3.8
99.08091	1.5
105.07031	33.6
107.08596	44.4
109.06530	2.9
109.10160	33.0
111.08099	1.8
111.11716	1.5
115.05544	1.2
117.07028	6.8
119.08585	40.6
121.10146	46.8
123.08126	3.1
123.11703	17.5
128.06232	1.1
129.07004	5.6
130.07813	1.4
131.08572	13.6
133.09125	2.1
133.10136	44.3
135.08067	3.2
135.11702	20.0
137.09622	1.7
137.13293	6.2
139.11111	1.3
142.07814	1.4
143.08575	7.2
144.09250	1.3
145.10121	19.6
147.11685	20.6
149.09683	1.9
149.13278	22.6
151.11157	5.4
151.14792	1.6
155.08586	1.9
156.09396	3.7
157.10153	10.4
158.10915	1.8
159.11702	19.0
160.12581	1.7
161.09618	2.5
161.13255	15.5
161.14468	1.6
163.11217	3.7
163.14835	16.4
165.12796	5.5
165.16415	2.0
167.57582	1.3
169.10211	3.4
171.11705	10.6
172.12482	1.4
173.13281	17.5
175.11238	3.1
175.14833	22.5
175.16290	1.5
177.12793	4.0
177.16397	10.6
179.14395	1.5
183.11732	2.2
185.13277	7.0
187.14815	14.3
189.12823	3.5
189.16380	39.0
191.14320	5.0
191.17992	5.9
191.19472	1.1
191.89610	1.2
193.16043	1.6
195.11876	1.7
195.74640	1.3
197.13344	3.8
199.14885	7.9
201.16405	12.7
203.14397	3.7
203.17940	14.3
205.15829	8.6
205.19542	1.3
209.13310	1.8
211.14838	2.5
212.69391	1.1
213.13141	1.0
213.16423	7.7
215.17964	8.4
217.15965	1.9
217.19595	4.3
219.17555	3.7
223.14885	1.0
225.16415	5.0
227.17995	6.2
228.18741	1.4
229.19530	18.2
231.17554	3.0
231.21045	5.1
239.18007	4.2
241.19572	10.7
243.21095	17.6
245.19092	2.6
253.19579	4.1
255.21158	3.4
257.19052	1.7
257.22586	5.3
267.21149	3.3
271.20648	1.5
276.09698	1.0
281.22763	1.7
282.77182	1.0
293.22589	1.1
295.24405	2.2
297.25723	1.2
307.23975	1.1
311.27487	1.2
323.27478	2.2
367.33704	4.1
377.28406	2.0
377.32236	13.0
395.33237	100.0
396.33609	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	395.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.05510	8.6
57.07084	4.3
62.28281	2.4
67.05505	30.6
67.41714	2.4
69.07069	14.4
69.53168	5.1
69.53578	12.7
71.08620	2.5
79.05498	23.4
81.07059	43.0
82.07373	2.5
82.43195	2.5
83.05022	2.9
83.08627	8.9
85.06556	4.1
91.05490	41.0
93.07047	45.6
95.05002	3.7
95.08615	62.3
97.10215	3.7
99.08129	8.9
105.07042	41.4
106.06586	3.0
107.08597	72.9
109.06533	4.4
109.10162	36.4
115.05521	3.7
117.07047	7.6
119.08591	62.4
121.10146	52.9
123.08112	4.2
123.11685	16.2
125.09658	2.8
129.07019	5.1
131.08583	31.7
133.10150	52.8
134.22978	2.8
135.11687	20.3
137.13283	4.3
142.07773	3.7
143.08569	14.9
144.09369	3.5
145.10112	41.6
147.11671	25.3
149.13264	20.0
151.14839	2.6
155.08522	3.8
156.09369	3.7
157.10149	19.3
158.10950	3.7
159.11699	36.8
161.09753	3.1
161.13235	19.7
163.14848	23.6
165.12869	5.9
169.10133	5.9
171.11687	15.6
172.12477	3.5
173.13274	35.2
175.14828	24.5
177.16493	9.1
183.11761	9.5
185.13345	13.9
186.07471	2.7
187.14839	43.2
189.16353	15.6
191.14389	3.3
195.11795	3.7
197.13289	6.6
199.14865	11.5
201.16429	29.3
203.18036	11.3
209.13313	5.0
211.14935	6.5
213.16360	13.6
215.17902	27.0
221.42693	2.5
223.14919	6.0
225.16505	6.3
227.18057	6.4
229.19690	3.7
237.16501	3.2
239.18094	5.0
241.19655	5.1
253.19739	3.9
255.21176	5.4
257.22675	3.3
265.19708	3.4
267.21451	3.8
293.22882	3.8
299.23602	3.5
323.27499	7.4
353.28430	3.3
377.32269	9.6
377.72580	2.9
395.29709	7.8
395.33298	100.0
401.95599	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	395.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18339	0.7
71.48615	1.0
78.01127	0.8
85.02903	1.2
86.54391	0.7
88.15321	0.7
91.05493	1.1
117.97323	0.7
119.04993	0.8
123.04395	1.5
133.06517	1.0
147.04393	2.7
161.05984	0.8
167.07251	0.7
185.04225	5.8
202.95618	0.8
217.04738	1.1
232.07077	12.5
233.07860	10.8
293.94986	0.8
364.11246	2.4
389.76678	0.8
395.13193	100.0
396.13492	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15425	0.7
71.04515	1.6
73.56938	0.6
79.51556	0.6
81.03429	0.7
85.02898	0.8
106.44776	0.6
118.06553	0.9
147.04414	1.4
158.97324	0.8
160.06026	0.6
177.05400	0.6
197.10875	0.7
199.08635	3.1
200.09457	3.0
201.10075	0.8
211.08604	3.3
212.09497	1.8
213.10260	6.7
214.10938	1.7
215.11829	9.4
217.09810	2.0
225.10202	5.4
226.11017	1.8
227.08182	0.7
227.11888	1.0
228.08965	0.7
228.12532	0.9
229.09772	2.1
231.11264	1.8
234.98936	0.9
239.08182	2.8
239.11766	3.1
240.08951	2.4
241.09764	3.5
241.13408	4.7
242.10603	4.3
243.07626	0.7
243.11320	9.7
244.08450	1.1
245.09190	1.7
251.11740	1.0
253.09700	6.7
256.12164	0.7
257.09238	6.2
257.12610	1.2
259.10818	4.4
263.10315	2.9
267.11255	2.8
268.08423	3.0
269.12793	4.8
271.07776	1.4
271.10794	29.1
272.11475	1.0
275.10233	3.2
277.11981	0.8
285.12354	7.0
286.06421	0.8
286.09561	1.0
287.13873	3.0
295.10754	1.6
297.12427	6.7
300.10931	1.2
303.09747	1.7
303.13419	1.6
313.11868	9.6
315.13364	5.8
321.10696	3.1
323.10333	2.8
331.12924	2.5
333.14453	2.0
335.07895	1.9
337.46518	0.6
341.11316	8.2
349.13956	1.0
359.12360	13.5
377.13419	21.6
395.14499	100.0
396.14835	1.6
410.23947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01870	10.9
55.05510	11.0
57.03421	7.7
61.02927	5.8
63.65439	3.4
64.06464	4.3
65.51119	3.3
67.05515	6.9
69.03435	48.3
69.06739	6.3
69.07078	79.7
70.85031	9.0
71.04980	10.5
73.02913	5.7
79.05460	3.6
81.03432	26.9
81.07047	6.9
82.03645	3.6
83.08663	4.9
85.02914	100.0
85.06512	4.6
87.00826	42.8
89.20947	4.2
91.05470	4.6
93.07053	9.9
95.08621	9.4
97.02896	36.9
98.97592	11.0
99.04450	20.0
101.63612	3.6
105.01873	36.4
105.07054	12.0
107.08590	12.8
109.02888	29.7
109.10172	8.7
111.04490	5.8
111.08077	23.9
111.11726	17.4
114.94127	4.6
117.07060	3.7
119.08631	5.7
121.10098	5.4
123.11715	5.9
127.03913	55.6
127.11217	7.3
129.12784	17.0
133.10144	7.8
135.11697	5.7
139.07533	10.0
139.11192	8.7
141.12738	10.3
145.04977	31.9
145.10167	7.7
146.12993	3.9
147.11703	6.5
153.12773	4.2
157.10127	5.1
158.99692	8.9
159.02896	15.2
161.09703	9.1
161.13310	5.8
163.11174	4.4
169.12233	5.5
177.00642	4.8
179.10616	4.8
201.12730	7.6
219.13789	13.0
231.05003	11.7
237.14856	9.2
323.14877	13.7
344.68271	5.0
394.31937	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	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94595	7.1
56.96551	26.6
58.54061	7.6
60.04536	7.8
69.03419	21.3
70.02961	36.0
70.98095	9.0
71.08624	9.7
84.08137	20.0
84.96021	7.6
85.02914	51.2
88.11255	33.2
89.03906	10.2
91.05473	29.6
97.02888	31.8
98.97587	50.3
107.04956	14.7
110.97566	14.2
116.98608	18.5
119.04943	60.3
127.03921	13.8
135.04391	31.3
137.06000	56.2
147.04405	91.5
149.06035	11.5
151.07518	12.6
153.01826	16.6
163.03885	62.3
167.07018	30.2
174.90263	7.8
177.00626	11.5
179.07025	100.0
219.01765	24.5
237.02856	15.8
301.52560	10.0
349.08154	9.5
355.12534	9.5
405.64371	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01870	10.9
55.05510	11.0
57.03421	7.7
61.02927	5.8
63.65439	3.4
64.06464	4.3
65.51119	3.3
67.05515	6.9
69.03435	48.3
69.06739	6.3
69.07078	79.7
70.85031	9.0
71.04980	10.5
73.02913	5.7
79.05460	3.6
81.03432	26.9
81.07047	6.9
82.03645	3.6
83.08663	4.9
85.02914	100.0
85.06512	4.6
87.00826	42.8
89.20947	4.2
91.05470	4.6
93.07053	9.9
95.08621	9.4
97.02896	36.9
98.97592	11.0
99.04450	20.0
101.63612	3.6
105.01873	36.4
105.07054	12.0
107.08590	12.8
109.02888	29.7
109.10172	8.7
111.04490	5.8
111.08077	23.9
111.11726	17.4
114.94127	4.6
117.07060	3.7
119.08631	5.7
121.10098	5.4
123.11715	5.9
127.03913	55.6
127.11217	7.3
129.12784	17.0
133.10144	7.8
135.11697	5.7
139.07533	10.0
139.11192	8.7
141.12738	10.3
145.04977	31.9
145.10167	7.7
146.12993	3.9
147.11703	6.5
153.12773	4.2
157.10127	5.1
158.99692	8.9
159.02896	15.2
161.09703	9.1
161.13310	5.8
163.11174	4.4
169.12233	5.5
177.00642	4.8
179.10616	4.8
201.12730	7.6
219.13789	13.0
231.05003	11.7
237.14856	9.2
323.14877	13.7
344.68271	5.0
394.31937	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	393.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	16.6
57.07073	5.5
67.05245	2.1
67.05515	24.0
69.07072	18.0
71.49565	4.3
71.59042	2.1
79.05493	12.1
81.07065	52.5
83.08637	10.5
91.05477	18.6
93.07053	37.0
95.08617	80.5
96.08889	2.3
97.10177	4.8
99.08083	6.6
99.29221	2.3
105.07034	32.4
107.08608	37.0
108.08939	2.3
109.10172	39.9
111.11782	2.2
115.85493	2.4
117.07023	6.7
119.08594	48.4
119.66678	2.1
121.10155	34.8
123.11719	17.1
128.06189	2.4
129.06990	6.2
131.08582	21.1
133.10123	29.1
135.11697	20.3
137.13274	21.4
141.06889	2.7
143.08589	30.4
144.09250	2.7
145.10138	35.9
147.11707	18.9
149.13277	39.3
155.08553	4.1
156.09373	5.4
157.10106	13.7
158.10896	2.9
159.11710	28.0
161.13268	14.0
163.14835	20.6
169.10130	7.8
171.11699	21.4
173.13268	27.8
175.14842	21.5
177.16402	22.2
181.10085	2.9
183.11705	10.2
185.13283	16.6
187.14835	28.5
189.16394	21.7
191.17970	7.3
195.11662	2.4
197.13274	4.1
199.14877	18.1
201.16417	10.0
203.14362	2.7
203.17961	17.1
209.13300	2.8
211.14850	5.5
213.16405	36.0
215.17953	24.9
217.19601	3.0
223.14900	3.7
225.16434	5.9
227.18069	12.3
228.18686	3.9
229.19563	7.5
231.21130	3.9
235.15094	2.5
239.18021	3.6
241.19547	20.4
243.21086	10.1
251.18056	2.8
253.19496	4.0
255.21077	27.6
257.22748	2.7
267.21127	2.5
269.22672	5.7
279.21075	2.5
281.22556	2.8
375.30801	3.7
393.27396	6.9
393.31439	19.2
393.35516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	36.8
57.07077	24.7
66.45811	3.7
67.05497	17.7
67.42570	4.0
69.06507	3.7
69.07072	49.4
71.08642	12.8
71.11029	9.4
73.29185	4.5
79.05473	10.4
81.07062	74.6
83.08160	7.9
83.08625	100.0
91.05500	11.2
93.07059	22.7
94.67512	4.8
95.08633	31.4
97.10173	17.8
102.27532	4.7
105.07035	17.0
107.08614	28.4
107.85931	5.2
109.10162	17.8
117.07024	8.5
119.08603	12.3
121.10143	10.5
123.11692	8.6
129.06987	7.1
131.08598	9.9
133.10107	17.7
135.11732	5.8
135.38313	4.5
143.08585	8.4
145.10097	20.4
147.11707	13.5
149.13274	6.4
157.10153	20.4
159.11694	20.1
161.13261	7.3
163.14865	8.1
171.11697	5.7
173.13237	6.6
183.11591	6.7
185.13313	11.2
187.14880	5.6
199.14793	9.9
201.16380	11.7
211.14609	5.0
213.16318	5.5
225.16284	8.1
239.17958	6.8
253.19461	5.6
295.24268	17.7
299.26871	5.3
309.25818	11.9
311.27148	4.6
393.35254	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.1
57.07080	5.4
58.35236	0.9
61.61798	0.9
65.03965	1.1
67.05510	15.5
69.07074	18.9
70.39837	1.1
71.08631	2.5
71.50053	1.4
79.05500	9.1
81.07064	38.9
83.08614	7.0
91.05489	8.2
93.07051	23.7
95.08612	64.7
97.10191	4.2
105.07040	14.6
107.08603	28.5
109.10161	25.4
111.11755	2.5
116.06214	1.2
116.52355	0.9
117.07027	3.0
119.08589	18.6
121.10162	18.6
122.81358	1.0
123.11705	12.9
125.13313	1.3
128.06276	1.2
129.06989	4.9
131.08575	8.3
133.10147	10.4
135.11703	7.5
137.13269	19.0
142.07820	2.1
143.08557	11.8
145.10136	10.3
147.11673	9.2
149.13269	47.4
149.55324	1.0
152.50403	1.0
155.08548	1.1
157.10167	7.6
159.11719	11.5
161.13257	8.7
163.14835	22.8
165.16666	1.0
169.10156	1.1
171.11714	7.0
173.13269	13.5
175.14833	15.9
177.16409	15.5
183.11636	1.3
185.13318	5.1
187.14838	9.8
189.16432	7.0
191.17946	4.2
195.12370	1.3
199.14850	7.9
201.16457	7.7
203.17958	7.4
205.19574	1.5
211.14882	1.4
213.16400	36.5
214.17007	1.5
215.17964	27.7
216.18492	1.3
217.19528	2.9
227.17973	7.7
229.19545	6.5
231.21094	4.0
241.19528	20.5
243.21111	14.5
245.22763	1.1
255.21112	27.1
256.21414	1.3
257.22757	2.8
269.22693	7.6
283.24249	1.4
323.27243	2.7
351.30548	3.0
393.35220	100.0
394.35684	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	393.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01866	10.8
55.05504	3.5
57.03429	5.0
57.07076	22.5
67.05505	1.2
69.07072	5.4
70.55559	2.3
71.08638	21.7
79.05487	1.4
81.03417	14.3
81.07031	3.1
83.08625	4.4
85.10196	12.7
93.07021	1.3
95.08595	3.0
97.02898	1.3
97.10167	2.2
99.04469	1.1
99.11749	2.2
105.07014	1.5
107.08588	1.1
109.02878	34.3
109.10175	1.4
115.03939	8.5
121.10122	1.3
123.04430	1.9
127.03921	100.0
127.14819	1.2
133.10080	1.2
133.30544	0.9
138.40791	1.0
141.05437	5.2
155.07025	3.2
169.08617	5.4
183.10176	8.9
186.84750	0.9
197.11748	7.9
211.13255	6.2
225.14882	8.1
239.16446	8.0
253.18033	11.3
256.47141	1.0
267.19550	10.6
273.42792	1.0
281.21158	6.9
295.22708	4.6
297.83707	1.0
309.24194	5.4
323.25711	5.7
337.27356	5.4
393.29312	1.8
393.33780	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	393.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05515	7.5
57.07072	2.7
65.03947	0.9
67.05520	8.2
68.32504	0.8
69.07076	8.2
71.50872	0.9
79.05513	6.9
81.07063	18.2
83.05009	1.1
83.08634	4.7
85.06544	0.9
91.05486	9.4
93.07047	16.4
95.04970	1.1
95.08613	27.4
97.06502	1.3
97.10193	1.5
99.08115	6.9
103.05483	1.0
105.07037	21.7
107.08602	25.9
107.13944	0.8
109.10156	15.7
109.10845	1.2
113.34948	0.8
117.07040	3.4
119.08588	41.4
121.10147	22.3
123.11737	8.0
125.09570	1.0
128.06236	1.0
129.07004	2.9
130.07765	0.9
131.08578	12.8
133.10141	30.5
135.11708	12.1
137.09665	1.3
137.13268	3.8
142.07788	2.3
143.08600	8.2
143.41800	0.8
144.09389	1.1
145.10139	20.3
145.11293	1.0
147.11723	11.9
149.09709	1.3
149.13301	6.0
151.11221	1.2
151.14748	1.0
153.06938	0.9
155.08551	3.3
156.09299	4.1
157.10156	11.5
158.10904	2.4
159.11700	15.9
160.20773	0.9
161.13274	8.0
163.11130	1.5
163.14848	3.7
169.10173	7.9
170.10864	4.7
171.11710	15.1
172.12434	1.6
173.13275	16.5
174.14084	0.9
175.14833	8.1
177.12814	1.0
177.16382	2.4
181.10204	2.6
182.10966	1.3
183.11731	8.1
185.13252	20.8
186.13760	0.9
187.14835	16.2
189.12732	1.3
189.16388	12.0
191.14310	1.0
191.17932	2.1
193.10141	1.6
195.11751	3.4
196.12524	1.7
197.13248	7.0
199.14862	9.9
201.12827	2.3
201.16354	6.6
203.14375	3.3
203.17996	3.8
205.15915	3.7
207.11734	1.5
207.13528	0.9
209.13309	5.1
210.14050	1.6
211.14711	5.1
213.16405	5.2
215.14410	1.6
215.18030	3.4
217.15936	1.6
217.19601	1.2
221.13272	1.9
223.14851	5.6
225.16396	5.5
227.17888	4.3
229.16060	0.9
229.19539	3.2
231.17465	1.5
235.14861	1.7
237.16422	3.5
239.17947	6.8
240.18755	1.2
241.19554	9.1
243.17450	1.2
243.21181	2.7
251.18010	3.3
253.19478	5.5
255.17470	3.0
255.21107	10.3
257.19064	2.0
263.17963	1.3
265.19577	2.3
267.21039	1.7
269.19077	1.6
271.20724	1.9
277.19467	1.3
279.21146	2.7
281.22745	0.9
283.20563	1.3
285.22314	1.2
291.21069	2.2
293.22699	1.8
295.24185	1.6
297.22003	1.8
305.22791	2.9
309.25760	1.0
319.24350	1.3
321.25769	8.3
323.23743	3.1
335.23642	1.0
337.25180	2.1
351.26663	1.0
360.28098	1.0
363.26682	1.1
375.30527	8.3
393.31567	100.0
394.31802	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	393.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.6
55.05511	15.3
56.93165	1.6
57.07081	4.6
65.03951	2.3
67.05507	19.7
67.87779	1.7
69.03453	3.3
69.07085	18.7
76.86063	1.5
79.05489	15.4
81.07066	32.4
83.04579	1.8
83.04957	8.2
83.08640	7.7
91.05479	18.9
93.07050	32.4
95.08618	46.6
97.06583	2.7
97.10186	3.9
98.21644	3.1
99.08071	3.1
102.54900	1.6
105.07039	54.2
107.08607	38.0
107.09313	2.7
109.06549	6.2
109.10163	19.7
111.08118	2.2
117.07064	6.6
119.08588	65.8
121.06561	6.1
121.10149	29.4
123.08093	2.5
123.11766	5.6
129.07053	4.8
131.08583	18.1
133.06551	2.2
133.10139	34.5
133.11082	2.2
135.08118	4.8
135.11731	13.2
137.13240	2.7
137.21922	1.6
141.07037	3.1
142.07823	2.3
143.08522	9.5
144.09341	2.8
144.90802	1.6
145.10129	27.3
145.11156	2.0
147.08095	4.1
147.11682	14.2
149.09706	5.3
149.13309	12.1
155.08607	4.4
156.09544	2.2
157.10132	15.0
158.10799	2.0
159.11703	21.4
159.12909	2.2
161.09695	6.1
161.13271	100.0
162.13625	2.0
163.11285	3.5
163.14868	11.0
169.10164	3.9
170.10947	1.7
171.11690	11.1
172.12427	2.3
173.09763	2.4
173.13290	14.4
175.11243	4.7
175.14845	15.1
177.16428	23.1
179.14378	2.0
183.11760	7.1
185.13315	9.8
186.13805	2.0
187.11272	2.6
187.14827	22.6
189.12788	3.9
189.16391	23.0
191.14360	3.8
191.17949	20.5
197.13394	4.9
199.14966	6.5
201.12820	3.4
201.16496	7.2
203.14377	15.1
203.18092	6.5
205.15991	2.9
211.14944	4.6
213.16389	8.1
215.14397	3.1
221.36154	1.7
223.14893	3.1
225.16490	2.4
227.18074	4.6
229.15956	2.3
229.19690	2.8
231.21104	2.5
235.14931	2.4
237.16376	1.9
241.19630	1.8
251.18089	2.8
265.19644	2.1
266.24796	27.1
291.21130	2.0
305.22598	2.4
323.23453	1.8
337.02588	5.8
347.27615	2.7
375.26437	2.4
375.30325	29.8
376.30844	2.5
381.39227	1.7
393.08881	4.1
393.27887	7.7
393.31625	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.1
55.01861	3.0
55.05513	19.7
57.07064	12.5
59.05010	3.8
61.84053	2.4
62.28333	2.6
65.03928	3.5
65.46199	2.6
67.05508	42.9
69.03416	5.9
69.07083	25.8
71.04973	4.6
71.08623	6.4
71.28177	2.7
79.05502	46.6
80.63238	2.6
81.03384	2.6
81.06599	4.1
81.07058	71.7
83.04971	6.1
83.08639	15.9
85.06511	3.4
89.06025	7.7
91.05486	58.3
93.07052	89.8
95.04971	59.0
95.08609	67.2
97.06530	9.8
99.08120	4.1
103.05461	5.2
105.07034	94.2
107.08601	72.8
109.06537	15.5
109.10170	36.9
111.08071	5.1
115.05495	5.9
117.07013	26.7
119.08588	100.0
121.06527	19.4
121.09345	4.1
121.10154	59.1
123.08091	5.3
123.11691	20.6
128.06210	11.0
129.07037	17.7
130.07796	8.8
131.08585	46.8
133.06529	4.3
133.08614	5.1
133.10133	67.3
135.08072	8.3
135.11699	29.3
137.09589	3.8
137.13274	5.7
141.07004	7.1
142.07791	21.7
143.08575	36.4
144.09294	9.4
145.06465	4.9
145.10127	78.5
147.08046	4.4
147.11705	33.3
149.09621	6.0
149.13258	11.6
151.14893	2.9
154.07761	4.3
155.08571	18.5
156.09340	12.8
157.10138	61.6
158.10889	8.6
159.08043	5.0
159.11708	58.4
161.09637	14.7
161.13245	10.4
163.11143	4.3
163.14847	5.6
165.06989	3.4
167.08553	6.3
168.09317	4.5
169.10133	24.7
170.10858	8.3
171.11685	28.0
172.12399	4.5
173.09613	4.9
173.13281	31.2
175.11250	16.2
175.14830	21.2
177.16408	17.0
179.08569	6.1
181.10120	10.1
182.10867	6.3
183.11714	17.1
183.59233	2.7
184.12335	4.3
185.13252	17.1
187.11162	8.2
187.14816	19.0
189.12761	2.8
189.16400	4.8
193.10110	5.3
194.10907	5.4
195.11703	11.2
196.12544	5.4
197.13229	18.6
199.14793	10.3
201.12675	3.0
201.16393	15.5
203.14351	4.6
205.15701	3.1
207.11630	8.6
208.12601	3.6
209.13268	16.4
211.14885	13.3
212.15594	3.0
213.16330	5.7
215.14230	4.7
215.17886	5.2
219.17464	3.8
220.12349	2.6
221.13295	6.2
223.14842	6.0
225.16335	8.4
228.94434	3.2
229.15889	3.7
235.14813	6.7
237.16322	7.9
239.18018	5.1
241.15862	4.1
241.19400	6.6
252.18524	3.3
253.15881	4.1
253.19531	5.0
265.19455	3.3
269.18927	3.6
271.20197	3.5
275.17987	3.1
279.21133	3.2
341.53555	2.8
375.26663	6.4
393.26917	19.6
393.31760	18.7
393.35391	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	393.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01862	4.4
55.05521	24.9
57.07068	9.8
65.03944	6.7
67.05518	35.0
69.07072	30.5
79.05501	36.4
81.03450	3.6
81.07071	66.1
83.08639	16.1
91.05486	46.6
93.07051	69.4
95.04971	40.9
95.08613	74.0
97.06531	5.1
97.10182	3.9
99.08076	6.0
105.07042	81.0
107.08603	72.9
108.08945	3.8
109.06516	12.6
109.10159	39.5
115.05487	8.2
117.07055	21.1
119.08598	100.0
121.06483	10.1
121.10153	45.8
121.19421	2.9
123.08030	7.9
123.11697	15.5
128.06239	10.7
129.07022	18.9
130.07748	6.0
131.08583	44.9
133.10153	58.2
135.08075	9.0
135.11707	26.2
137.09554	4.6
137.13281	9.1
141.06920	5.3
142.07811	25.0
143.08600	30.1
144.09337	10.1
145.06551	3.6
145.10121	64.3
147.10622	5.3
147.11707	32.0
149.09666	6.4
149.13293	23.9
153.07051	4.6
154.07562	4.3
155.08549	10.3
156.09323	10.1
157.10153	51.0
158.10944	3.9
159.11714	47.8
161.09622	14.3
161.13226	18.2
163.11057	4.2
163.14825	16.3
167.08556	5.7
168.09409	4.9
169.10098	20.5
170.10974	7.0
171.11714	28.3
173.09622	5.5
173.13272	32.9
175.11243	18.2
175.14868	26.5
177.12695	3.6
177.16394	14.7
181.10117	10.2
182.10954	4.9
183.11667	20.6
184.12352	3.4
185.13237	20.0
187.11244	6.5
187.14818	22.8
189.12823	4.1
189.16415	7.9
193.10130	8.3
194.10841	5.2
195.11739	9.6
196.12476	4.7
197.13231	20.1
199.14812	15.9
201.12892	5.6
201.16417	11.3
203.17996	7.0
205.15942	7.7
207.11571	4.1
209.13274	11.9
211.14832	10.4
213.16356	15.4
215.14212	5.2
215.18028	7.4
223.14868	5.7
225.16322	6.6
227.17915	4.3
239.17665	6.1
241.19560	7.0
243.21025	6.9
251.17929	3.8
253.19548	5.9
255.21054	10.4
266.20654	5.2
269.22501	5.9
334.84723	3.6
375.26678	5.3
375.30859	3.7
393.27530	15.5
393.31250	17.4
393.35858	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93649	2.9
53.03946	13.1
55.05515	23.5
57.07072	15.5
58.56635	3.0
64.04521	3.6
67.05513	33.2
68.71531	3.0
69.03423	5.5
69.07084	25.2
71.08642	3.8
71.53502	3.7
79.05503	42.1
81.07069	66.4
83.04984	5.5
83.08609	16.7
85.06564	4.3
88.97658	3.3
91.05492	58.4
93.07047	73.6
95.04987	48.2
95.08612	72.7
97.06535	11.1
97.10172	4.8
105.07037	100.0
107.08601	61.5
109.06570	16.4
109.10165	40.3
111.08112	5.5
115.05447	6.6
117.07050	23.1
119.08595	94.2
121.06509	21.4
121.10152	49.8
123.08053	7.5
123.11700	13.8
127.80403	3.3
128.06247	10.6
129.07042	17.2
130.07813	5.2
131.08578	50.5
132.08804	3.4
133.10138	60.7
135.08044	9.6
135.11691	32.1
137.09621	3.8
141.07007	11.0
142.07814	27.0
143.08597	37.9
144.09340	9.6
145.10135	79.6
147.08041	4.8
147.11699	30.5
149.09647	6.4
149.13275	12.0
153.07071	4.2
154.07707	3.6
155.00993	3.5
155.08511	11.4
156.09361	16.5
157.10147	65.1
158.10893	6.4
159.08107	6.4
159.11720	58.8
161.09625	15.3
161.13313	12.6
163.11282	5.2
163.14815	9.5
165.07050	5.7
165.87444	3.7
167.08571	7.1
168.09372	5.4
169.10132	27.4
170.10896	5.0
171.11708	25.4
172.12474	5.3
173.13281	29.8
175.11227	15.1
175.14873	23.3
177.16422	6.1
179.08643	5.8
180.09366	4.4
181.10159	9.0
182.10970	4.3
183.11728	19.1
184.12485	5.1
185.09668	3.6
185.13327	18.5
187.11217	6.0
187.14876	21.4
193.10147	7.5
195.11739	13.1
197.13237	16.0
199.14816	10.2
201.12827	3.9
201.16409	14.9
206.10995	3.7
207.11716	5.1
208.12532	4.3
209.13266	11.3
210.13991	5.2
211.14903	10.6
213.16342	8.3
219.17436	5.9
221.13237	4.9
223.14877	7.5
225.16302	6.5
227.17876	4.2
235.14932	4.2
241.19542	4.3
251.17937	4.1
253.15756	4.7
253.19441	4.5
277.19672	3.8
309.22211	3.7
375.26569	4.4
393.27603	14.2
393.32043	8.5
393.35696	32.9
393.84030	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93649	2.9
53.03946	13.1
55.05515	23.5
57.07072	15.5
58.56635	3.0
64.04521	3.6
67.05513	33.2
68.71531	3.0
69.03423	5.5
69.07084	25.2
71.08642	3.8
71.53502	3.7
79.05503	42.1
81.07069	66.4
83.04984	5.5
83.08609	16.7
85.06564	4.3
88.97658	3.3
91.05492	58.4
93.07047	73.6
95.04987	48.2
95.08612	72.7
97.06535	11.1
97.10172	4.8
105.07037	100.0
107.08601	61.5
109.06570	16.4
109.10165	40.3
111.08112	5.5
115.05447	6.6
117.07050	23.1
119.08595	94.2
121.06509	21.4
121.10152	49.8
123.08053	7.5
123.11700	13.8
127.80403	3.3
128.06247	10.6
129.07042	17.2
130.07813	5.2
131.08578	50.5
132.08804	3.4
133.10138	60.7
135.08044	9.6
135.11691	32.1
137.09621	3.8
141.07007	11.0
142.07814	27.0
143.08597	37.9
144.09340	9.6
145.10135	79.6
147.08041	4.8
147.11699	30.5
149.09647	6.4
149.13275	12.0
153.07071	4.2
154.07707	3.6
155.00993	3.5
155.08511	11.4
156.09361	16.5
157.10147	65.1
158.10893	6.4
159.08107	6.4
159.11720	58.8
161.09625	15.3
161.13313	12.6
163.11282	5.2
163.14815	9.5
165.07050	5.7
165.87444	3.7
167.08571	7.1
168.09372	5.4
169.10132	27.4
170.10896	5.0
171.11708	25.4
172.12474	5.3
173.13281	29.8
175.11227	15.1
175.14873	23.3
177.16422	6.1
179.08643	5.8
180.09366	4.4
181.10159	9.0
182.10970	4.3
183.11728	19.1
184.12485	5.1
185.09668	3.6
185.13327	18.5
187.11217	6.0
187.14876	21.4
193.10147	7.5
195.11739	13.1
197.13237	16.0
199.14816	10.2
201.12827	3.9
201.16409	14.9
206.10995	3.7
207.11716	5.1
208.12532	4.3
209.13266	11.3
210.13991	5.2
211.14903	10.6
213.16342	8.3
219.17436	5.9
221.13237	4.9
223.14877	7.5
225.16302	6.5
227.17876	4.2
235.14932	4.2
241.19542	4.3
251.17937	4.1
253.15756	4.7
253.19441	4.5
277.19672	3.8
309.22211	3.7
375.26569	4.4
393.27603	14.2
393.32043	8.5
393.35696	32.9
393.84030	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.0
55.01875	5.1
55.05524	20.9
57.07059	8.4
65.03899	4.7
67.05509	92.5
67.40346	3.9
69.07077	22.4
71.04967	5.0
71.50606	5.7
72.87202	4.0
77.65331	3.9
79.05491	52.0
81.03398	5.1
81.07059	100.0
83.08608	10.5
91.05492	38.2
93.07051	57.9
95.04961	8.8
95.08611	89.3
97.06531	4.3
97.10152	5.5
105.07047	44.2
107.08595	48.6
109.06509	7.5
109.10168	51.9
111.04414	4.5
111.08083	5.3
117.07018	15.6
119.08590	42.4
121.06539	5.3
121.10142	44.6
123.04442	6.9
123.08096	6.5
123.11711	17.7
127.03906	6.1
128.06252	4.6
129.06981	8.9
131.08600	23.6
133.10150	31.1
135.08051	8.8
135.11700	31.3
137.09593	4.6
143.08553	16.8
145.10149	27.3
147.08064	6.1
147.11664	20.4
149.09570	6.9
149.13268	15.3
151.07611	5.3
157.10176	20.4
159.11723	22.6
161.09605	7.1
161.13264	8.4
163.14902	5.6
169.10106	9.7
171.11700	17.4
173.13274	17.9
175.11124	4.3
175.14752	10.4
176.23285	4.3
177.16354	8.9
181.10336	5.5
183.11734	9.3
185.13268	15.4
187.14806	17.5
189.16328	6.4
193.10095	4.5
195.11681	6.2
197.13271	8.1
199.14847	10.1
201.16400	5.1
209.86826	4.2
218.75397	5.0
227.17946	6.1
229.19569	4.4
239.17961	4.9
257.19058	4.9
258.13828	3.9
269.22812	6.3
287.23743	7.5
297.22055	11.6
315.23309	24.7
333.24240	12.8
345.79431	4.2
375.30554	5.5
393.27603	8.5
393.31677	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.8
55.01887	5.4
55.05518	19.8
57.07076	7.2
65.03943	6.9
67.05512	31.7
69.03456	3.7
69.07082	22.3
69.34938	26.1
77.03924	2.9
79.05503	41.2
81.07065	58.7
83.04989	6.3
83.08630	9.7
85.06567	6.4
91.05483	52.8
93.07056	82.0
95.04980	53.8
95.08615	59.3
97.06535	11.0
103.05462	5.1
105.07045	93.6
107.08605	58.9
109.06547	17.5
109.10171	25.6
115.05438	5.8
117.07045	25.2
119.08591	100.0
120.08910	3.8
121.06550	23.5
121.10154	36.1
123.08120	3.5
123.11742	10.7
128.06245	11.8
129.07037	16.9
130.07773	8.4
131.08578	42.3
133.10156	54.7
134.79178	2.5
135.08083	8.3
135.11729	18.2
137.09630	3.9
141.06996	9.8
142.07777	20.5
143.08580	38.3
144.09334	10.7
145.06520	3.2
145.10138	66.2
146.10474	3.0
147.08075	4.6
147.11725	19.2
149.09612	3.7
153.07051	4.7
155.01051	5.0
155.08604	15.7
156.09366	14.7
157.10141	55.8
158.10898	6.3
159.08179	3.6
159.11705	45.0
160.12169	4.3
161.09669	22.3
161.13303	9.0
163.11168	3.4
163.14830	3.8
165.07024	5.5
167.08614	6.8
168.09335	8.3
169.02660	3.3
169.10129	22.5
170.10896	9.9
171.11699	30.1
172.08879	3.2
172.12384	3.2
173.09645	5.2
173.13295	21.2
174.01659	3.3
175.11227	9.1
175.14850	15.3
179.08525	6.2
180.09341	3.5
180.80112	2.9
181.10152	8.3
182.10887	7.1
183.11719	20.0
185.13315	15.8
187.11160	5.6
187.14850	14.7
193.10182	7.6
194.10924	3.4
195.11736	11.0
196.12456	5.6
197.13242	16.0
199.14857	11.1
201.12732	4.8
201.16417	9.8
206.10942	3.5
207.11708	6.0
209.13290	11.6
211.14848	13.1
213.16302	4.8
221.13263	4.1
222.13750	3.0
223.14822	9.5
225.16374	4.9
235.14745	6.7
237.16382	2.9
239.14413	3.5
249.16426	3.3
251.18019	5.6
253.15894	6.5
253.19576	3.5
393.27695	10.8
393.31644	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	393.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44758	0.9
55.01857	0.9
67.05521	1.2
68.04997	1.4
69.03446	1.3
69.85020	2.4
69.85425	3.3
73.02917	10.1
73.78105	0.9
91.05462	2.3
107.04974	1.1
108.43874	0.9
111.04406	1.1
115.05368	1.0
119.04958	2.2
125.06014	12.0
137.05975	1.3
149.05960	2.6
151.03929	37.2
151.05049	3.8
151.07507	2.1
172.05983	1.1
177.05513	2.6
179.07091	9.1
197.08110	21.6
201.06371	2.1
203.08104	1.7
204.08853	6.5
213.09413	1.2
215.08040	2.6
216.08829	100.0
217.09451	3.2
218.10390	5.1
225.06514	11.3
226.07140	2.3
227.07962	1.4
228.08804	1.0
229.09529	1.8
230.10410	10.6
240.08827	51.1
241.09363	2.7
246.09908	5.8
258.09891	2.8
268.08386	5.2
272.11423	4.0
283.09427	2.2
300.10950	51.1
333.13004	3.3
343.11496	1.7
361.12643	5.0
375.14227	4.2
393.10089	1.2
393.15146	23.3
393.19864	1.3
403.73575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60722	2.1
60.27221	2.2
65.88388	2.4
71.00469	5.0
76.25423	2.8
79.05482	4.2
85.02895	5.6
88.55973	2.3
100.89291	2.4
103.05459	5.2
105.07044	3.7
107.04968	45.4
117.65915	2.2
127.73011	2.7
135.08073	11.7
137.06012	4.9
163.07574	38.4
167.07060	100.0
180.07701	3.3
195.10202	24.9
213.11229	93.3
390.74985	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06706	20.3
63.30809	21.6
69.71796	19.3
69.76311	100.0
89.86981	24.2
91.69075	21.2
98.20852	35.9
101.00906	40.2
119.01918	46.4
123.22734	24.9
131.01857	25.2
137.92757	20.3
143.01923	35.0
185.53239	21.0
229.05444	24.4
273.04346	21.0
393.05688	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36107	1.6
56.96564	23.4
57.03431	3.3
61.02922	2.2
68.31791	1.5
69.03433	5.6
70.98122	4.0
71.95241	1.7
79.01843	2.5
79.58047	1.6
81.03431	3.1
82.99869	4.6
84.96036	7.7
85.02915	12.3
85.37791	1.5
87.88707	1.6
88.99177	2.5
97.02898	9.8
98.97586	37.5
101.00883	35.2
103.00648	1.7
105.03345	1.7
108.04552	1.7
109.02898	1.9
110.97577	11.4
112.99137	3.0
113.00906	11.5
113.04507	2.4
115.02438	5.8
115.03973	1.7
116.98615	14.6
119.01925	36.0
119.04952	2.0
120.01997	1.8
124.99129	5.9
127.02428	5.0
127.03938	3.9
128.98593	9.7
129.03960	3.4
131.00211	2.8
131.01904	24.1
131.05557	10.7
131.40837	1.7
133.03526	7.9
135.04451	1.7
137.00835	3.9
137.02989	2.9
137.05992	5.5
138.05511	2.2
139.02486	1.7
140.98686	2.5
143.00275	10.6
143.01897	95.7
144.02080	2.0
145.01733	2.2
145.03523	14.3
145.04477	1.8
145.04964	1.4
146.99648	7.3
147.04459	5.9
149.03018	1.9
149.06647	8.4
153.01834	31.9
153.02983	2.7
154.02184	4.3
155.01904	31.4
155.05598	5.8
156.02744	2.1
156.98073	3.3
157.03526	7.1
158.99660	7.8
159.05060	5.6
161.01324	6.6
161.02962	87.9
163.03827	10.3
167.00279	2.5
167.05629	2.9
169.03502	5.3
170.99722	3.5
171.05081	4.6
172.97574	2.9
173.02985	31.1
173.06599	27.3
174.99165	10.9
175.00537	1.7
175.02954	2.0
175.04550	4.9
177.00739	5.7
177.06012	3.0
179.06999	1.9
184.04573	2.2
185.01326	3.8
185.03018	9.5
185.06607	39.2
187.02840	2.8
187.04565	4.5
187.08223	4.5
189.00732	3.7
191.07712	6.2
193.00140	10.2
196.08391	1.7
197.02962	2.8
197.06609	3.2
201.00778	4.5
201.02512	3.5
201.06151	3.5
203.02298	3.9
203.04073	11.5
203.06007	2.5
203.07628	15.0
205.00235	8.2
205.05620	4.6
205.95096	1.8
207.01784	3.0
209.06616	3.3
213.00740	2.7
213.06061	2.4
215.04089	2.6
215.07661	15.5
219.01747	18.8
219.03624	2.3
221.05052	32.9
221.07033	3.1
223.01314	3.9
223.05283	1.7
225.02602	1.9
227.07741	4.5
229.05849	2.5
230.98155	5.0
231.03513	3.2
231.05334	3.1
231.07239	2.8
233.08676	2.8
237.00615	2.1
237.02763	25.7
243.03442	3.5
245.05219	2.8
248.99268	9.0
249.02655	7.7
255.01775	5.6
255.03911	6.0
257.08698	8.0
259.02975	2.4
261.02853	2.9
263.06161	2.0
267.00247	4.6
267.04059	2.3
272.99252	3.6
273.02533	3.8
273.04996	3.7
273.07990	2.1
275.09811	36.1
285.04797	2.8
291.00409	6.3
291.03662	1.8
293.10825	96.4
303.05640	3.6
305.01950	5.9
333.01437	5.0
333.04803	3.8
351.05945	11.2
375.11304	14.8
376.79587	1.9
393.12524	100.0
394.12399	5.0
411.05490	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42508	1.2
60.15794	1.1
67.48213	1.5
69.03424	2.6
70.64110	1.6
70.64423	2.5
79.05482	2.6
85.02925	8.0
91.05486	1.6
91.76734	1.2
97.02892	1.5
102.05841	1.3
103.05466	2.5
105.07056	2.0
107.04967	38.9
115.05528	1.5
123.04433	2.4
127.03931	1.9
131.04907	3.0
135.08069	11.8
154.06282	1.5
163.07568	37.4
167.07050	95.4
168.41353	1.3
180.07820	1.8
195.10191	29.1
213.11240	100.0
321.78162	1.4
398.64896	1.3
408.15680	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.7
57.07069	6.0
65.03961	1.4
67.05503	14.2
69.07076	17.5
71.08645	2.7
71.23579	3.0
79.05497	10.3
81.07061	32.1
83.08629	6.2
91.05473	12.6
93.07053	25.4
95.05026	2.1
95.08614	55.0
97.10165	5.2
105.07028	19.9
106.06812	1.5
107.08604	29.0
109.10164	28.5
111.11756	1.7
117.07043	4.9
119.07716	1.9
119.08585	39.8
121.10147	25.9
123.11715	11.9
125.16154	1.4
129.07002	3.5
130.07764	1.7
131.08568	14.1
133.10144	39.5
135.11703	13.4
137.13287	5.7
141.06995	1.6
143.08585	10.9
144.09352	4.2
145.10139	58.0
146.10527	1.8
147.11691	11.6
149.02348	17.4
149.13264	20.1
155.08604	4.3
156.09402	4.7
157.10147	24.2
158.10956	5.4
159.11711	58.3
161.13251	9.3
163.14838	20.4
169.10120	8.9
170.10934	3.5
171.11705	26.0
172.12433	1.9
173.13293	21.7
175.14861	9.0
177.16383	11.1
181.10260	1.8
183.11725	12.6
185.13254	17.6
187.14836	82.1
189.16380	11.4
191.17972	12.6
195.11761	1.7
197.13275	8.7
198.14081	3.5
199.14853	11.2
201.16406	32.8
203.17973	9.2
209.13348	3.9
211.14871	7.2
213.16400	88.9
214.16742	2.4
215.17964	8.8
217.19595	7.5
220.31898	1.5
225.16528	6.4
227.17972	14.8
229.19572	4.2
231.21019	1.9
237.16302	2.9
239.17853	8.6
241.19572	15.5
243.21173	3.0
251.18056	3.5
253.19519	10.1
255.21077	3.1
265.19565	2.6
267.21103	10.9
269.22824	1.7
279.21259	3.2
281.22723	6.2
293.22699	3.8
295.24298	5.5
307.24307	3.9
321.25830	4.6
335.27399	2.9
348.28287	1.7
349.28925	1.9
363.30228	1.7
391.33719	100.0
392.34039	4.5
411.36615	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37828	1.0
53.03944	2.3
55.05520	7.4
57.07089	5.4
64.88268	1.1
65.03926	2.0
67.05510	16.6
69.07069	16.1
69.35558	7.6
69.57847	1.0
71.08620	2.4
79.05501	12.0
81.07066	36.1
83.08625	6.6
84.34797	1.0
91.05487	11.9
93.07055	25.8
95.05006	1.5
95.08615	63.9
97.10178	4.0
98.21530	2.1
99.08067	1.7
105.07038	20.8
107.08604	36.7
109.10168	29.8
111.11698	2.3
117.07027	5.1
119.08594	46.5
121.10150	24.7
123.11729	11.6
128.06317	1.5
129.07060	3.8
130.07800	4.1
130.89766	1.1
131.08577	14.2
133.10149	38.1
135.11708	16.1
137.13297	5.1
142.07809	2.3
143.08566	9.4
144.09372	8.2
145.10139	66.5
146.10709	1.3
147.11707	10.0
149.02371	14.4
149.13269	37.0
151.14832	1.2
155.08580	1.9
156.09361	4.3
157.10158	18.6
158.10915	2.6
159.11711	100.0
160.12086	1.4
161.13274	6.1
163.14835	30.8
165.16435	1.8
169.10147	5.5
170.10942	3.5
171.11703	21.7
172.12473	2.0
173.13283	18.3
175.14864	8.1
177.16414	16.8
181.10159	1.3
182.10898	2.2
183.11722	8.1
185.13287	14.0
187.14842	64.4
188.15227	2.2
189.16376	10.0
191.17978	11.0
195.11749	1.8
197.13312	7.3
198.13997	2.3
199.14842	11.7
201.16397	20.3
203.17941	6.7
205.19540	6.2
206.98016	1.2
209.13310	1.5
211.14857	7.5
213.16406	59.5
214.16783	1.4
215.17966	6.9
217.19571	3.3
223.14847	1.8
225.16412	4.7
227.17973	18.3
229.19601	3.4
233.13254	1.1
237.16573	1.8
239.17943	8.1
241.19534	18.7
253.19513	13.0
255.20953	1.5
261.56152	1.2
265.19507	1.7
267.21024	7.5
269.22647	1.6
281.22717	3.8
295.24280	3.5
321.25864	3.0
335.27396	2.4
349.29041	1.7
391.33725	64.4
392.34335	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	391.336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01628	1.1
51.83352	1.1
53.03932	1.6
55.05512	8.5
57.07070	4.8
59.08794	1.3
59.99012	1.1
63.77077	1.0
65.03928	1.8
67.05505	15.6
67.47318	1.2
69.07079	13.0
70.58578	3.4
71.03017	1.1
71.08623	3.0
79.05498	12.6
81.06596	1.7
81.07059	32.8
83.08620	7.7
88.07012	1.1
91.05479	12.4
93.07047	24.7
95.04964	4.6
95.08607	47.9
97.10184	3.5
103.22832	1.1
105.07033	26.0
107.07887	2.0
107.08601	33.8
109.10161	24.2
110.10278	1.0
111.11681	1.6
117.07028	7.3
119.08583	32.8
121.06509	1.7
121.10150	26.4
123.08041	1.4
123.11716	11.9
128.06226	3.8
129.07014	5.7
130.07835	1.3
131.08583	16.6
133.10121	16.3
135.11708	16.7
137.13300	7.4
137.14203	1.5
141.06998	2.1
142.07764	3.3
143.08563	16.9
144.09357	1.2
145.10132	33.8
145.84834	1.2
147.11678	9.9
148.42902	1.1
149.02351	16.4
149.13272	17.0
151.14830	1.5
152.19044	1.0
153.07121	1.1
155.08530	5.3
155.49191	1.0
156.09369	3.6
157.10138	16.9
158.10924	4.1
159.08046	1.2
159.11696	22.7
161.13278	8.4
163.14842	13.5
165.16483	1.2
167.08569	1.9
168.09358	2.2
169.10112	8.6
170.10971	3.1
171.11688	14.5
172.12505	1.2
173.13249	13.4
174.77962	1.1
175.14868	10.7
176.79955	1.1
177.16347	9.3
179.08588	1.6
181.10092	2.9
182.10840	1.7
183.11755	8.3
184.12497	1.4
185.13284	14.5
187.14841	30.3
189.12814	1.1
189.16429	9.8
191.17969	5.6
193.10083	1.5
195.11726	5.3
196.12503	2.1
197.13255	12.8
199.14856	13.3
201.16399	19.2
203.17982	6.7
205.10352	1.4
205.15953	1.1
207.11752	2.9
208.12480	2.2
209.13274	4.7
211.14906	7.0
212.15657	2.2
213.16405	15.6
215.17934	9.1
217.19522	3.6
219.11627	1.6
221.13289	2.9
223.14848	3.7
225.16296	6.5
227.17949	11.0
229.19621	6.1
229.21703	1.0
233.13327	2.0
234.13916	1.3
235.14836	1.9
237.16408	3.7
238.58633	1.1
239.17940	8.6
240.06151	1.1
241.19514	10.4
243.21106	3.6
247.14868	1.5
249.16402	2.2
251.18018	3.0
253.19585	7.2
255.21033	6.6
261.16617	1.4
263.18280	1.2
265.19501	2.5
267.17667	1.7
267.18103	1.9
267.21115	11.1
269.19006	1.2
269.22543	3.1
274.30316	1.3
279.21146	3.3
281.22723	4.2
283.24149	1.5
293.22684	2.2
295.24207	4.6
307.24170	3.3
317.14847	1.4
321.25815	3.9
333.25726	1.7
335.27374	2.8
348.28137	2.0
349.28973	2.4
364.58426	1.4
373.25034	2.5
391.26111	6.9
391.33640	100.0
392.33936	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	391.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17770	0.8
53.03939	1.4
55.05514	8.3
57.07084	4.8
65.03952	1.1
67.05506	12.8
69.07075	15.1
71.04983	2.6
71.08643	3.3
79.05499	12.8
81.07057	28.6
83.08627	8.0
91.05486	12.9
92.51964	0.9
93.07050	18.8
95.04963	2.2
95.08613	38.1
97.10174	3.1
105.07035	19.3
107.08601	25.9
109.10165	20.7
115.05502	1.2
117.07022	3.6
119.08595	27.8
121.06570	1.4
121.10155	20.3
123.11713	9.2
124.80479	1.0
128.06219	2.3
129.07051	4.6
130.07787	1.2
131.08569	18.2
133.10132	28.1
135.08041	1.2
135.11707	13.4
137.12132	0.7
137.13280	5.4
141.06978	1.6
142.07813	2.9
143.08574	13.5
143.09595	1.6
144.09361	1.9
145.10133	31.2
147.11705	13.1
149.02350	15.2
149.13263	9.9
151.14828	1.8
155.08551	4.6
156.09311	1.9
157.10135	14.1
158.10916	4.9
159.11707	23.6
161.09590	1.1
161.13275	10.0
163.14818	12.5
166.07584	1.0
167.03339	1.3
167.08629	1.4
168.09447	1.8
169.10156	9.1
170.10893	2.2
171.11678	12.2
172.12471	1.9
173.13277	14.4
175.14819	7.3
177.16394	8.0
181.10159	1.7
182.10977	1.5
183.11711	10.8
184.12379	1.9
185.13280	14.5
186.13940	1.2
187.14842	32.9
189.16426	6.7
191.17981	6.7
195.11719	4.6
196.12474	1.9
197.13316	7.5
198.14032	1.6
199.14864	9.8
200.15334	1.1
201.16405	18.4
203.17970	6.1
207.11758	1.8
209.13281	3.5
211.14833	8.6
213.16428	11.6
215.17998	6.4
217.19559	3.7
221.13252	1.1
223.14755	3.4
225.16478	4.7
227.17967	10.2
229.19498	3.3
233.13304	1.1
235.14839	1.7
237.16379	3.2
238.17143	1.1
239.17960	8.8
241.19527	13.0
243.21126	1.6
247.14792	1.1
249.16348	1.8
251.17941	2.3
253.19554	15.8
255.21143	3.2
265.19470	2.0
267.21091	9.3
269.22626	2.0
279.20978	2.7
281.22650	3.3
292.03806	1.0
293.19427	1.3
293.22537	2.2
295.24301	4.4
297.25760	1.5
307.24261	3.1
321.25800	3.5
333.25815	7.5
335.27405	2.7
348.28156	12.0
349.28741	2.4
373.24280	1.3
373.28986	1.5
391.25183	5.9
391.33640	100.0
392.34003	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	391.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.9
55.05504	16.3
57.07063	8.2
58.04468	3.3
59.05004	6.2
65.03922	6.4
67.05515	27.5
67.33540	4.0
69.03407	4.2
69.07077	19.1
69.66709	9.3
69.67117	13.7
71.08655	5.2
72.17568	3.5
79.05504	36.8
81.07059	55.1
83.04966	5.4
83.08614	7.9
88.37025	3.8
91.05488	52.3
93.07049	53.2
95.04980	49.2
95.08611	39.7
97.06526	7.2
99.08113	7.8
105.07044	88.1
107.08602	39.0
109.06515	12.5
109.10157	22.4
115.05428	4.3
116.06230	4.7
117.07038	21.1
117.45527	4.2
119.08592	86.4
121.06519	16.4
121.10155	39.7
123.08052	8.5
123.11731	7.1
128.06206	13.6
129.06989	23.1
130.07809	11.4
131.08559	35.7
133.06493	4.8
133.10150	35.6
135.08051	9.3
135.11746	10.4
141.06961	11.6
142.07774	17.6
143.08588	49.1
144.09314	7.3
145.10127	72.5
147.08022	7.8
147.11682	17.7
149.02367	68.4
149.13277	7.9
153.07021	5.8
155.08633	20.4
156.09366	21.8
157.10133	51.1
158.10930	6.5
159.11726	32.0
161.09674	8.0
161.13242	10.6
163.14825	4.5
165.07016	11.3
166.07759	6.3
167.08559	12.6
169.10129	43.3
170.10948	8.3
171.11702	63.1
173.09584	8.3
173.13274	26.5
175.11174	9.1
175.14853	9.9
177.16370	4.4
179.08574	12.5
180.09317	4.9
181.10133	23.0
182.10951	12.2
183.11719	33.5
185.09662	5.7
185.13254	36.3
187.11159	4.2
187.14755	18.8
189.16393	11.0
191.14294	7.5
192.09410	6.0
193.10165	24.7
194.10883	15.4
195.11705	27.4
196.12483	5.9
197.09651	4.4
197.13318	28.7
199.11238	9.2
199.14798	16.0
201.12868	4.4
201.16415	5.0
203.08461	5.9
205.10138	4.9
206.10986	11.9
207.11684	24.5
207.17459	5.4
208.12462	13.6
209.13263	25.3
211.11166	6.7
211.14819	16.7
213.12766	7.8
213.16486	5.7
215.14268	5.2
215.17982	4.6
218.10864	8.3
219.11656	9.6
220.12454	8.3
221.13289	20.8
223.11194	5.2
223.14890	19.4
225.16393	8.9
227.14243	7.1
227.17944	6.3
231.11662	5.3
232.12527	6.2
233.13362	11.4
233.15491	8.5
234.13966	4.8
235.14828	14.4
237.12625	4.9
237.16377	17.0
239.17998	9.5
245.13304	5.5
247.14861	11.9
249.16318	11.5
251.14384	5.2
251.17934	6.1
253.19511	7.9
259.14902	10.5
261.16379	11.2
263.17905	12.1
265.19583	6.7
267.17477	9.6
269.19022	6.3
273.16577	5.5
275.17899	8.8
277.19397	6.0
282.19656	4.4
291.17242	5.1
295.20749	6.4
297.18512	7.2
335.20212	6.1
373.25067	23.8
391.25937	100.0
391.30066	24.1
391.34558	8.3
391.36624	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	391.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55679	2.3
55.01875	3.1
69.53600	2.2
71.08619	2.4
71.49620	3.4
79.05525	4.2
81.03414	3.0
91.05507	11.4
93.07060	3.7
95.08576	2.7
105.07057	7.8
107.04929	11.5
109.06559	2.9
116.26066	2.0
117.06941	2.5
118.06562	3.3
119.04951	5.4
119.08524	2.9
121.06520	6.3
123.04430	5.9
129.06966	7.1
131.04922	3.8
131.08617	3.4
133.06528	2.7
137.05986	34.7
146.07288	4.8
147.04453	6.7
148.05223	4.4
149.02348	20.4
149.05983	4.1
151.03871	3.4
151.07542	4.0
161.04648	5.7
161.05992	100.0
161.09636	22.4
163.07542	9.8
165.07146	2.3
167.07066	17.0
175.07530	2.8
179.07001	3.8
181.08589	44.2
189.09122	55.9
201.09206	3.0
207.10182	60.7
213.11139	2.7
226.33406	2.3
237.09033	2.4
253.08592	7.0
263.07422	2.6
273.11154	3.6
285.11224	7.1
329.14236	2.9
341.10522	3.7
358.66177	2.7
359.12466	6.5
391.14822	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
56.58195	1.5
65.03927	2.0
67.05516	1.9
69.07040	1.6
70.95725	2.8
78.04723	1.5
79.05499	3.9
80.32958	1.3
81.07051	5.3
91.05495	7.6
91.46971	1.6
93.07066	5.1
95.04984	2.1
95.08611	3.9
97.06547	1.7
99.08166	1.9
105.07039	4.9
107.08596	4.8
109.10180	2.9
115.05494	1.9
119.04951	4.1
119.08574	6.8
121.06506	4.4
123.04471	6.8
123.08056	2.0
123.85388	1.5
127.96066	1.5
128.10446	1.8
130.22951	1.7
131.04945	2.5
131.08545	4.3
133.10153	3.5
135.11671	2.5
137.05963	13.1
138.06267	1.8
145.10136	3.7
147.11681	3.2
149.02367	12.2
149.06020	2.0
151.07556	5.8
152.07887	2.1
157.10106	2.8
159.11749	2.7
167.07063	100.0
171.11719	2.2
175.07530	4.5
176.07771	1.8
177.05515	2.9
177.08119	1.6
178.05974	1.8
181.04973	1.7
181.08589	5.0
182.05386	2.1
183.11662	2.1
185.13242	2.4
187.14865	2.5
193.08662	3.0
194.05626	1.6
199.14902	2.4
201.16252	1.9
209.08116	9.0
209.13383	1.8
211.14726	2.0
221.10631	1.7
232.14890	1.7
237.16275	3.2
391.16824	4.2
391.25449	2.6
391.30103	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	391.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.5
56.67056	3.8
57.07089	7.5
57.49668	4.1
67.05506	10.8
68.06211	4.4
69.03418	9.4
71.08630	7.6
71.49143	7.7
77.35429	4.9
81.07048	5.3
85.02903	9.6
93.07085	5.3
95.05004	7.1
107.04990	6.7
123.13371	4.4
127.03899	5.3
129.05510	4.8
130.06482	5.2
131.86151	5.2
137.05997	21.3
147.04362	5.2
149.02353	71.1
151.03912	12.6
164.05740	5.4
167.03430	5.0
167.07076	11.1
177.05392	5.1
213.05516	7.1
213.11208	9.2
225.74693	5.2
229.04767	88.3
229.11719	4.4
230.05707	6.9
253.08691	7.1
299.09164	7.8
317.10196	13.3
391.10104	100.0
391.15704	4.1
391.19461	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51040	2.7
67.05511	3.0
70.75013	4.6
70.75352	6.1
71.08622	8.3
79.05470	3.4
81.07062	4.2
85.02883	3.0
91.05474	9.3
93.07057	4.9
95.08627	4.0
97.06569	3.6
97.64295	2.5
104.91010	2.7
106.90993	2.5
107.04976	5.8
107.08596	3.7
119.08565	3.2
119.76995	2.7
121.06506	8.2
129.07025	6.4
131.04948	7.0
131.08517	3.7
132.05432	2.9
133.06543	3.8
133.10150	2.9
137.05986	6.6
146.07286	3.6
149.02350	30.9
151.03915	3.1
151.07532	3.5
161.04654	5.2
161.06000	100.0
161.09628	22.0
163.07599	3.7
167.03450	3.3
167.07053	18.4
168.73561	3.4
169.71442	2.8
175.07533	3.8
181.08618	11.8
189.09140	53.7
191.06961	3.4
207.10197	48.1
247.86050	2.9
313.11758	5.7
317.13959	3.9
356.18582	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	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93703	4.9
58.10369	5.0
60.88369	6.4
70.93592	9.0
79.05510	10.6
85.02896	19.7
97.02872	8.8
103.05477	6.6
105.07041	60.0
115.05472	15.2
118.04189	5.9
119.04933	10.3
133.06502	45.7
137.05995	12.5
153.81367	5.3
161.05980	100.0
163.03923	9.5
193.08633	65.0
211.09715	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	391.019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	64.5
57.03429	5.4
58.05500	1.3
61.02921	2.6
64.62529	1.3
69.03422	6.3
69.54797	4.4
69.55228	5.9
70.45275	1.4
70.98122	34.4
71.05016	1.8
71.95272	10.0
72.96038	4.9
73.02904	4.1
78.31187	1.4
81.03390	2.5
82.39997	1.3
82.99825	2.0
84.96030	9.6
85.02891	9.4
85.26015	1.5
86.09729	1.8
88.99184	7.4
97.02911	7.6
98.21487	3.2
98.97590	100.0
99.04399	1.4
100.99110	1.5
101.00866	8.2
110.01305	2.3
110.97565	16.3
112.99126	2.2
113.00847	3.2
115.02436	4.0
116.98612	22.2
119.01900	12.2
120.96053	1.5
124.95486	25.3
124.99123	4.3
126.96999	3.3
127.00681	2.3
127.02375	3.3
127.03933	3.7
128.98621	18.0
130.93321	4.4
131.01903	6.1
133.03409	3.5
134.99832	1.5
140.02330	1.8
140.98621	8.3
142.96541	15.1
143.00142	3.2
143.01918	6.2
144.98134	3.9
145.03465	5.7
145.04967	2.3
146.02342	2.2
146.99658	14.9
152.95001	6.1
152.98608	2.0
154.93297	6.5
154.96513	15.5
155.00124	2.3
155.01883	6.0
156.98129	11.4
157.03473	3.7
158.92770	1.6
158.99641	11.8
160.97577	2.9
161.01225	2.9
161.02922	6.3
165.00717	5.8
168.99815	1.6
169.03537	2.6
170.96013	20.9
170.99693	5.5
171.01405	3.9
172.94392	11.0
172.97594	31.6
173.01237	6.9
173.02943	5.6
174.99156	23.1
175.04532	2.9
177.00732	5.4
182.03372	5.2
182.99716	1.9
184.97629	10.8
185.02980	5.6
186.99146	13.8
187.02814	2.1
187.04546	3.1
188.97098	24.0
188.98822	3.0
189.00728	14.8
189.02365	2.7
190.95410	4.3
190.98665	18.6
191.02348	2.2
191.03824	7.4
193.00218	10.3
196.94302	9.7
197.02979	2.2
200.97472	1.7
201.00854	9.1
202.98683	15.4
203.02388	2.0
203.04053	4.5
205.00243	13.7
205.02029	2.5
206.98128	6.1
207.01608	7.6
208.94383	2.0
208.99715	3.5
212.97160	4.6
213.02496	2.4
214.95471	21.8
214.98595	17.4
215.00423	3.1
217.00293	10.7
217.05630	1.7
218.98509	2.6
219.01805	12.7
220.04198	2.2
220.06065	2.0
220.99709	11.9
221.01900	3.7
221.05078	5.6
223.01312	3.2
224.99147	2.0
226.95404	4.6
229.05542	2.7
230.98164	10.1
231.00262	3.3
232.96454	15.6
232.99571	15.7
233.01428	2.9
235.01320	7.4
235.03336	2.1
237.02708	8.7
240.96698	3.1
242.98236	6.0
244.96736	2.7
244.99730	8.9
245.05112	5.3
246.98004	2.9
247.01208	3.5
248.99226	3.7
250.95309	2.8
250.97728	2.4
251.00400	2.8
253.01993	1.9
255.01935	4.1
256.96423	5.6
258.97946	4.2
259.06558	3.1
260.96057	1.7
260.99133	5.0
261.03079	1.9
263.00778	25.5
263.05878	1.7
267.03748	1.6
268.96411	8.5
270.97607	6.9
271.02826	2.7
272.06473	12.2
272.99689	2.8
273.02585	1.7
274.97610	2.5
275.02493	5.2
275.06079	1.8
277.02362	3.6
281.01810	40.4
286.97482	12.7
287.02496	2.5
288.98575	8.7
289.03952	2.3
291.00293	2.1
293.02100	2.0
293.05301	1.5
295.06775	1.9
297.04517	2.6
298.97311	5.8
299.02692	5.3
304.98615	2.4
311.02170	2.2
315.02319	2.0
316.98407	10.6
321.01376	2.4
329.07236	2.1
330.99393	9.8
331.08566	1.5
334.99496	8.2
342.82019	1.7
347.08231	5.0
349.01077	17.5
352.95734	1.6
359.04504	7.6
367.02148	10.6
377.00186	3.2
391.02139	5.0
391.07278	19.0
409.03525	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	389.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09870	0.6
55.05498	1.7
55.70406	0.6
57.07073	1.3
61.05135	0.6
62.12136	0.6
67.05495	1.9
67.70017	0.7
69.07054	2.3
74.39877	0.6
79.05487	3.0
81.07063	4.8
83.08577	0.8
91.05488	6.6
93.07049	5.3
95.04977	0.7
95.08605	5.2
97.06543	0.9
98.20712	1.5
99.08084	1.1
103.05482	1.0
105.07039	14.4
107.08591	5.5
109.06502	1.2
109.10164	3.3
111.08070	0.9
114.46989	0.6
115.05504	0.8
117.07012	3.2
119.08591	17.2
121.10166	2.8
123.04461	0.7
123.08047	1.1
123.11732	1.2
128.06213	1.0
129.06998	2.4
130.07774	2.8
131.08575	17.4
133.06503	1.0
133.10136	8.7
135.08080	1.1
135.11681	2.7
137.05963	3.2
138.06306	1.6
141.07021	0.7
142.07771	1.7
143.08575	7.4
144.09312	1.2
145.10130	100.0
146.10475	1.5
147.08022	0.8
147.11710	3.4
149.09622	0.6
149.13281	1.9
151.07559	1.2
151.11205	0.8
155.08508	1.6
156.09358	1.8
157.10138	8.6
158.10858	0.9
158.96666	0.8
159.11702	9.9
161.09637	1.8
161.13300	3.5
163.11148	1.3
165.12689	1.2
167.07051	1.0
168.09387	0.7
169.10152	2.9
170.10910	2.3
171.11713	6.3
173.13280	17.2
175.11153	0.8
175.14874	2.1
177.12779	2.9
179.08478	0.8
181.04951	0.9
181.10126	0.9
183.11710	2.6
185.13245	8.4
187.14841	5.3
189.16382	1.5
190.35912	0.8
191.14371	1.9
191.17865	1.1
193.10204	1.1
195.11748	1.7
197.13239	2.4
199.14821	23.5
201.16464	1.1
201.46011	0.6
203.14330	26.8
206.10797	0.7
207.11694	2.0
208.12692	0.7
209.13248	1.3
211.14764	1.7
213.16385	2.1
217.15900	19.8
221.13135	1.6
222.13982	0.8
223.14893	0.9
225.16312	0.8
227.17847	0.8
231.17441	4.3
233.19022	0.8
235.14845	1.2
237.16414	9.0
244.76666	0.8
245.13454	0.8
245.19029	2.7
249.16605	1.1
250.43343	0.7
251.18036	0.8
253.15807	0.7
261.16489	1.0
277.19568	0.8
301.19437	1.5
305.22604	0.8
319.24277	1.0
356.77515	0.7
371.23135	0.7
371.27219	4.2
389.15417	1.2
389.28259	31.8
390.28754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03963	10.4
55.01865	8.3
55.05509	16.4
57.03445	11.1
67.05510	11.6
69.03431	23.0
69.07063	23.3
71.05000	15.7
71.48802	12.0
79.05489	27.8
81.03415	14.5
81.07066	31.6
83.04973	12.0
85.02921	40.8
85.06535	10.3
86.09695	18.7
90.34321	10.6
91.05493	76.0
93.07042	41.6
95.04968	73.7
95.08639	17.8
97.02901	12.9
97.06528	29.2
99.04468	22.2
105.07043	25.0
106.02900	12.4
107.08586	48.4
109.06539	50.8
109.10149	19.2
115.07557	36.1
119.08575	12.7
121.10146	100.0
123.04467	12.5
123.08090	7.9
124.03948	27.6
125.04337	13.1
125.09662	8.0
126.50008	8.5
127.03860	9.2
131.08563	15.7
133.10132	69.1
134.10478	8.6
135.08096	15.6
137.05840	11.2
139.11182	7.8
141.05458	30.5
147.11679	31.9
149.09610	16.0
151.03946	9.7
151.11177	10.6
153.09074	45.5
162.02180	9.9
163.14859	18.6
167.07065	53.2
167.08250	7.7
168.07445	20.3
168.72256	9.1
169.07591	27.6
173.13307	28.4
191.14362	43.2
192.14716	12.0
209.15402	86.3
227.16396	70.2
293.09131	8.1
389.17163	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	17.5
57.03440	17.8
59.44306	17.6
60.00599	15.5
63.44067	15.8
67.05504	18.3
69.03404	40.0
69.81832	88.4
71.04998	21.5
72.39993	17.3
79.05498	30.8
81.03421	24.9
81.07059	52.0
83.04984	40.2
85.02912	76.8
86.09693	25.0
91.05493	47.2
95.04958	100.0
95.08601	18.7
97.02911	17.5
97.06532	39.9
98.20798	17.8
98.97607	27.7
103.05490	16.8
105.03384	42.6
105.07025	52.6
107.04971	20.1
107.08598	50.1
107.27802	20.0
109.06536	69.1
109.10159	51.7
111.08073	26.7
115.07710	18.6
119.08601	24.8
121.10208	34.9
123.04439	31.4
125.09673	31.6
131.04959	33.6
133.10159	70.8
137.05974	43.5
147.11752	26.7
149.09619	19.1
149.13251	19.6
151.07494	19.3
153.09103	41.8
163.07515	28.1
167.07056	33.1
171.10115	19.6
173.13210	42.1
191.14349	50.8
197.12935	20.4
209.15404	86.0
219.01814	23.2
220.66983	17.5
227.16405	67.7
293.09164	25.5
297.08716	18.6
339.09692	22.3
350.20898	21.3
357.13580	29.8
389.14975	67.4
407.15662	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	389.2173
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
51.71056	16.0
67.05518	20.1
69.03407	15.4
69.36382	15.6
70.62385	40.8
70.62740	28.7
72.37502	15.5
81.03423	19.0
81.07047	24.1
84.70164	17.8
91.05472	31.4
93.07036	40.5
95.08596	54.5
97.06580	20.9
100.64773	16.5
105.07010	38.8
107.04955	22.3
107.08617	68.4
109.10196	25.4
111.08058	21.0
121.10143	31.6
123.08094	28.6
133.10159	38.8
137.05986	47.8
147.11583	21.6
149.09630	64.8
149.13217	19.7
151.03952	18.3
151.11203	40.4
161.04581	18.1
161.06006	20.8
163.14713	26.7
167.07076	51.5
173.13219	22.8
175.05367	16.0
187.39163	18.0
191.14301	58.9
209.15355	82.0
227.16179	21.1
265.09799	40.0
267.11450	20.5
293.09155	57.0
297.08731	30.2
321.08832	37.8
325.12225	25.4
339.09778	78.7
389.13217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2173
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
55.05508	17.5
57.03440	17.8
59.44306	17.6
60.00599	15.5
63.44067	15.8
67.05504	18.3
69.03404	40.0
69.81832	88.4
71.04998	21.5
72.39993	17.3
79.05498	30.8
81.03421	24.9
81.07059	52.0
83.04984	40.2
85.02912	76.8
86.09693	25.0
91.05493	47.2
95.04958	100.0
95.08601	18.7
97.02911	17.5
97.06532	39.9
98.20798	17.8
98.97607	27.7
103.05490	16.8
105.03384	42.6
105.07025	52.6
107.04971	20.1
107.08598	50.1
107.27802	20.0
109.06536	69.1
109.10159	51.7
111.08073	26.7
115.07710	18.6
119.08601	24.8
121.10208	34.9
123.04439	31.4
125.09673	31.6
131.04959	33.6
133.10159	70.8
137.05974	43.5
147.11752	26.7
149.09619	19.1
149.13251	19.6
151.07494	19.3
153.09103	41.8
163.07515	28.1
167.07056	33.1
171.10115	19.6
173.13210	42.1
191.14349	50.8
197.12935	20.4
209.15404	86.0
219.01814	23.2
220.66983	17.5
227.16405	67.7
293.09164	25.5
297.08716	18.6
339.09692	22.3
350.20898	21.3
357.13580	29.8
389.14975	67.4
407.15662	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	389.1597
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
50.01606	1.6
53.03941	3.2
54.76446	1.3
55.01876	22.6
55.05515	2.0
56.00090	1.4
60.00031	1.3
64.89147	1.6
65.03947	9.1
67.05505	6.3
69.03428	1.8
69.07068	1.4
69.43944	12.5
79.05499	8.4
81.03423	2.0
81.07067	3.4
82.04208	2.8
85.02902	5.2
91.05489	15.0
93.03394	2.8
93.07051	9.4
95.04964	14.0
95.08633	2.3
97.06568	3.7
98.20792	2.5
103.05482	11.4
105.04510	2.7
105.07034	5.1
107.04955	7.3
107.08604	6.3
108.02090	1.7
109.02899	1.9
109.06483	3.1
109.10171	2.0
110.03661	3.7
110.44778	1.7
111.04486	2.0
115.05470	3.7
117.07049	7.3
119.04946	7.5
119.08612	4.4
121.06505	8.3
121.10138	3.6
122.03670	2.0
123.00846	1.8
123.04443	15.8
123.08087	9.3
125.06009	3.8
129.07004	7.3
131.04948	12.0
131.08542	3.9
132.05707	2.7
133.10136	1.7
135.08064	7.0
136.05122	1.6
137.05992	21.1
138.03140	2.9
139.03873	5.2
140.04707	3.7
142.02647	2.6
145.06477	9.6
145.10109	3.7
147.04402	6.6
147.08031	2.9
149.05998	6.4
149.09650	1.7
151.03943	2.7
151.07562	50.1
153.05486	5.7
157.06496	6.1
157.10143	2.0
159.04419	2.0
159.08066	1.7
160.05211	4.7
161.05981	5.9
163.03848	2.0
163.07542	9.7
164.04550	2.1
167.07068	19.1
171.06554	3.2
173.06003	2.6
174.06754	2.2
175.07562	100.0
176.07898	2.1
177.05475	20.4
177.09108	3.9
179.07027	3.6
181.04980	58.9
183.06531	19.7
187.07472	1.9
187.14867	2.0
188.08377	1.6
189.09108	6.5
191.06984	3.2
193.08589	2.2
195.08374	2.9
195.10196	55.8
201.09074	9.8
207.06534	7.6
209.08099	34.0
217.08661	4.7
219.08115	3.4
219.10181	47.2
235.09573	2.2
237.05363	1.9
249.09213	2.4
255.10127	1.5
277.08560	3.4
281.08044	1.9
283.09552	1.8
309.11166	2.3
321.11197	1.7
327.12128	2.6
339.12274	6.2
341.13834	2.5
357.13205	6.7
363.34799	1.7
371.14810	7.1
389.15976	34.8
389.26801	7.4
389.31906	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	389.1599
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
50.26684	1.6
55.01876	42.1
56.60512	1.3
65.03946	11.6
67.05506	6.9
69.03429	4.1
69.56346	5.2
69.56754	3.4
79.05489	5.8
81.03444	1.8
81.07050	5.2
82.04189	4.2
85.02902	7.2
89.03915	2.1
91.05474	7.8
93.03397	3.9
93.07082	3.5
94.04217	2.5
95.04971	5.2
95.08602	3.0
97.02903	3.5
97.06523	4.5
103.05473	17.2
105.04584	1.7
105.07045	4.4
107.04940	8.1
108.02110	2.1
109.06486	2.8
110.03665	4.7
111.04443	1.6
117.07042	3.7
119.04935	1.9
119.08595	3.5
121.06508	4.9
122.03648	4.2
123.04453	5.8
124.05160	1.9
125.06032	4.5
128.06248	2.5
129.06985	11.1
131.04953	19.9
133.06595	3.4
133.10139	3.5
137.05994	35.5
138.03119	3.6
138.06377	2.2
142.02635	3.5
145.06500	4.7
147.11699	6.4
149.05981	12.3
151.03937	2.7
151.07584	2.9
153.05515	7.1
157.06480	7.8
159.04404	2.2
160.05263	2.8
161.06006	4.1
163.07526	8.3
165.12718	3.4
167.07037	27.5
171.06544	3.3
174.06754	3.5
175.07582	17.5
177.05493	40.8
181.04973	100.0
183.06517	4.6
187.07494	2.8
189.09126	8.3
192.14621	2.3
205.08676	1.8
207.08131	1.9
209.08112	57.4
210.63419	1.5
217.08644	4.6
219.10170	5.4
220.08881	1.8
221.08081	2.9
231.07948	1.6
234.06691	2.3
235.09729	3.1
247.07587	2.4
249.09158	3.1
255.13643	1.6
261.09155	2.2
262.06393	1.6
263.06934	1.7
277.08630	8.1
281.11774	1.8
289.08542	2.1
293.11942	2.2
309.11325	4.2
311.12827	1.6
321.11221	1.8
325.16409	2.7
327.12363	2.5
327.20786	1.6
339.12567	8.0
341.13849	4.1
359.14865	4.9
371.14954	7.0
389.15997	41.8
389.26840	2.3
391.18503	1.5
403.87509	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40411	1.1
53.03940	1.8
55.05516	11.7
57.07079	6.8
65.03965	2.4
67.05517	17.8
69.07074	21.2
71.08625	1.1
72.50173	1.2
77.03973	1.0
79.05499	12.4
81.07065	43.2
83.08611	8.9
83.82303	1.1
91.05490	20.6
92.73727	1.2
93.07050	34.9
95.05003	2.4
95.08617	64.3
97.06541	1.5
97.10178	3.0
99.08146	1.3
105.07041	32.3
107.08601	43.5
107.09312	2.2
108.08924	1.4
109.06559	2.0
109.10168	25.5
109.10946	1.2
111.11756	2.1
115.05466	1.8
117.07053	4.6
119.08595	49.2
121.06521	1.7
121.10149	30.1
122.03664	2.0
122.81605	1.0
123.08089	2.6
123.11725	25.3
125.09615	1.7
128.06303	3.0
129.07036	4.9
131.08594	17.6
131.09528	1.3
133.10136	35.7
133.11101	1.9
135.08076	1.7
135.11697	27.9
137.05992	12.7
137.13271	17.5
137.14268	1.7
139.03900	1.5
141.07083	1.4
142.07841	4.0
143.08583	12.6
144.09412	1.6
145.10129	30.3
147.08112	1.2
147.11714	19.7
149.05934	1.4
149.09576	1.0
149.13278	22.0
151.07616	3.6
151.11182	1.4
151.14851	3.0
153.09207	1.2
154.07832	1.3
155.08632	5.2
156.09424	4.2
157.10143	13.9
158.10960	2.4
159.11703	23.2
161.13260	13.3
163.07571	1.9
163.11227	1.7
163.14859	12.6
165.12752	1.3
167.07115	3.8
167.08546	2.2
169.10158	8.6
170.11000	3.8
171.11705	15.7
172.12396	2.0
173.13281	21.4
175.14851	15.2
177.09225	1.8
177.12814	2.1
177.16469	5.0
179.14459	1.9
181.05119	1.7
181.10219	3.7
182.10983	2.4
183.11719	13.9
185.13272	27.2
187.14850	31.6
189.16383	7.3
191.14426	5.1
191.17938	1.4
193.10220	2.9
193.15858	1.8
194.10968	2.2
195.11748	5.5
196.12494	1.7
197.13264	11.6
199.14812	13.8
201.16403	17.7
203.14407	2.8
203.18102	2.8
205.15965	3.7
206.10927	2.3
207.11806	6.6
207.13663	1.3
209.13362	5.3
211.14874	7.9
213.16437	12.8
215.17944	6.0
217.15973	4.1
219.11836	2.1
219.13928	1.6
219.17642	1.4
221.13319	4.2
221.15253	1.7
223.14859	6.9
225.16344	7.6
227.18033	4.8
229.19609	2.8
231.17603	1.7
233.13368	3.2
233.15448	2.8
234.14113	1.4
235.14935	3.0
237.16512	5.3
239.18117	4.9
241.19633	3.6
245.15538	3.6
247.14873	3.6
247.17120	2.7
249.14639	2.5
249.16618	3.5
251.18208	5.8
253.19643	4.2
255.21236	1.9
261.16525	3.8
263.17938	4.3
265.19684	3.6
267.21228	4.1
269.22794	1.8
275.17987	2.4
277.19708	5.2
279.21286	3.3
281.22638	2.9
285.18655	1.5
289.19699	2.8
291.21252	5.2
293.22653	2.2
303.21182	4.9
305.22864	1.6
313.29089	4.2
317.22726	7.4
323.27338	14.4
331.24298	8.6
341.28476	17.7
345.26004	3.9
351.23227	1.7
357.13406	2.0
369.24051	2.2
369.27948	12.4
387.14594	3.7
387.30334	100.0
388.30478	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	387.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78001	0.9
55.01875	2.1
55.05511	5.4
57.03431	2.2
57.07071	1.2
59.04960	0.9
61.02905	1.5
65.03943	1.7
67.05511	4.4
69.03434	9.2
69.07057	1.0
70.47664	2.8
71.04987	2.3
73.02937	0.9
79.05500	5.2
81.03406	3.8
81.07043	2.5
83.04954	1.8
83.08606	7.0
85.02909	9.0
85.06525	1.0
89.05997	1.1
91.05476	4.3
93.03405	1.2
93.07041	3.0
94.04174	2.6
95.04391	1.5
95.04973	27.9
95.06924	0.9
95.08601	2.6
97.02905	5.3
97.06528	3.0
99.04446	3.3
103.05475	1.1
105.07028	4.0
107.04938	3.1
107.08602	9.2
109.06535	4.3
109.44797	0.9
110.49210	0.8
111.04466	3.1
111.08091	2.0
115.05459	2.8
117.07022	2.6
119.04908	1.4
119.08569	2.5
121.06489	2.3
121.10152	2.8
122.03661	8.2
123.04414	2.9
123.08081	10.7
123.11694	1.1
125.05994	1.9
125.09618	4.9
127.03936	1.1
129.06966	1.1
131.08557	2.0
133.06483	1.9
133.10153	1.6
134.08945	0.9
135.04402	1.4
135.08040	2.1
135.11743	0.9
137.05986	100.0
137.09627	1.8
139.03822	2.4
139.11169	0.8
143.04935	2.7
143.08583	1.2
145.06483	4.5
145.10091	2.7
147.04405	0.9
147.08032	1.2
147.11662	1.3
149.09634	4.9
151.03893	6.2
151.07523	3.9
153.05467	2.7
153.09070	1.9
155.06001	1.6
155.10640	1.9
161.05939	2.7
161.09598	2.0
163.07465	1.0
163.11192	3.4
165.09120	3.1
165.12732	2.0
167.07054	15.1
167.10745	1.5
171.11780	1.1
173.05966	3.9
173.09653	1.9
175.07527	2.6
177.05519	1.0
177.09016	0.9
178.86847	0.8
179.07037	1.5
181.04973	15.7
181.12234	2.4
187.07634	0.9
187.11218	1.5
189.09050	1.3
189.12791	2.1
191.07031	1.7
191.10670	3.5
203.07050	1.8
205.08604	3.5
207.10213	1.0
207.13815	9.7
207.15892	2.4
208.16046	2.1
215.10655	1.6
217.08575	1.0
219.10168	1.3
221.11676	1.0
223.13196	1.5
225.14810	4.3
231.13817	1.4
233.08089	2.6
233.11714	1.4
235.09650	2.1
235.13367	1.5
237.14839	1.9
249.14882	18.4
251.12779	1.1
255.06985	1.1
257.11905	0.8
261.14893	2.4
267.15897	2.8
273.14737	1.2
279.15768	1.3
291.15869	6.0
293.08173	1.1
293.13885	1.3
301.06989	1.8
303.15869	1.0
311.14771	1.1
316.09311	0.9
333.16769	1.3
351.18057	4.5
357.13297	11.6
362.04117	0.9
369.18988	2.5
387.14313	22.5
387.20068	4.4
394.55817	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
51.00588	6.6
67.05511	12.4
67.07105	5.3
69.03414	25.6
71.30099	5.3
71.32906	11.2
74.46002	6.3
75.23621	5.4
81.03416	7.8
81.07055	22.8
83.93384	6.4
85.02910	100.0
91.05490	7.9
95.08617	24.6
97.02889	7.5
99.04462	8.2
102.91428	5.8
105.07035	14.7
107.08611	6.7
109.02881	10.5
109.10156	27.7
119.08616	16.1
121.10118	10.0
123.07993	8.0
123.11712	86.6
125.05988	22.6
127.03930	20.4
137.05980	11.9
137.09654	7.4
145.10010	6.3
147.11655	14.9
149.09644	10.8
151.07571	14.4
161.13330	6.1
163.11125	7.7
165.09082	10.0
165.12802	8.1
165.18114	6.1
183.90619	6.1
189.12741	21.5
207.13817	88.7
225.14937	35.1
258.00067	6.0
269.51651	6.9
305.23163	7.9
333.17017	15.9
351.18021	34.4
369.19080	7.7
387.20078	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	387.2016
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03947	7.4
55.01885	7.4
55.05519	5.6
57.03438	8.2
58.23026	3.3
61.02922	8.2
63.94335	3.5
66.59385	3.5
67.05502	11.7
69.03439	34.8
69.07066	9.6
69.30687	27.9
70.06586	5.5
71.04978	7.0
79.05494	12.0
81.03419	10.8
81.07069	21.4
83.04976	6.8
85.02912	100.0
85.62260	2.9
86.09705	12.8
91.05487	13.4
93.07053	10.8
95.08620	47.2
97.02914	16.6
97.06560	4.3
99.04467	10.7
105.07072	19.9
107.04952	7.9
107.08606	14.6
109.02871	10.1
109.06527	9.3
109.10188	17.7
111.08112	4.3
115.05412	4.2
117.07076	7.1
119.08591	31.1
121.06499	7.5
121.10166	21.1
122.03664	4.7
123.08091	18.6
123.11715	56.8
125.06023	44.2
127.03935	12.4
131.08571	6.8
133.06529	7.7
133.10165	17.7
135.11714	33.6
137.05991	70.4
137.09641	11.4
137.13254	4.9
139.03932	4.8
139.07545	5.2
139.89449	3.8
143.04948	6.3
145.04988	4.7
145.06505	4.4
145.10127	7.7
147.08009	5.7
147.11691	33.8
149.09630	39.0
151.03925	4.5
151.07549	13.7
161.06021	5.4
161.13275	51.6
163.11198	11.1
165.12776	6.3
167.07089	18.0
171.11720	9.7
175.07504	6.6
177.05582	3.8
179.14322	7.5
181.05028	13.6
181.12294	7.0
189.12770	47.8
191.10637	4.2
207.10040	4.0
207.13826	88.5
209.11707	3.3
225.14893	69.2
233.08078	6.0
251.07010	3.3
266.09357	4.1
311.09219	6.9
326.11407	4.3
327.12161	6.3
333.16779	6.3
337.10709	3.5
339.12372	3.5
351.17984	13.2
357.13440	6.5
369.13345	7.9
369.18994	5.4
387.14615	14.3
387.20120	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
54.16296	0.4
55.01865	1.0
65.03938	2.2
66.04729	0.7
67.05505	1.1
69.03429	0.6
69.07063	1.0
71.23550	0.6
71.23892	0.6
79.05488	2.2
81.03426	0.6
82.04176	0.6
85.02916	1.1
86.52864	0.4
91.05489	1.9
93.03389	0.7
94.04205	2.3
95.04955	0.8
97.06531	8.6
98.97603	0.8
103.05466	6.0
105.03382	0.7
105.07031	1.3
107.04956	1.6
108.02103	0.8
109.06491	0.8
110.03634	0.8
111.04455	0.8
115.05474	2.7
117.07029	1.5
118.04195	1.6
119.04972	1.0
119.08562	0.5
121.10057	0.5
122.03653	8.8
123.04443	3.4
125.05951	0.8
131.04930	5.1
133.06494	0.6
135.08098	0.5
137.05981	100.0
139.03915	13.7
142.02605	0.5
143.04930	2.8
145.06461	2.2
147.04445	0.9
147.08026	0.7
148.05219	2.7
151.03926	16.7
151.05032	1.5
152.04652	0.7
153.05481	1.1
155.06021	1.0
161.05965	1.9
163.03867	0.9
163.07568	5.4
167.07050	10.5
173.06021	3.6
175.07567	1.5
176.04665	0.5
181.04967	23.7
191.07037	17.2
201.09296	0.6
203.07085	1.8
205.08629	2.1
207.51833	0.5
217.08603	0.6
219.08218	0.6
219.10191	1.7
233.08105	0.7
235.09579	2.2
249.08928	0.7
259.09741	0.5
263.09125	0.6
295.09714	0.7
310.95917	0.5
339.12219	0.6
351.12363	0.7
355.11658	0.8
357.13333	10.6
365.82559	0.5
369.13382	0.9
387.14389	23.3
388.14706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1442
Annotation	Magnolone
Peak:m/z	Relative Intensity
55.01877	0.5
65.03938	1.0
66.04720	0.5
67.05505	0.5
67.94468	0.3
70.20133	0.9
70.20536	0.4
79.05496	0.9
85.02914	0.6
91.05483	0.9
93.03389	0.4
94.04180	2.5
97.06524	1.1
103.05483	0.6
107.04932	0.5
111.04390	0.3
115.05462	1.9
117.07040	1.7
118.95469	0.3
122.03659	8.4
123.04421	1.0
137.05986	100.0
137.96889	0.3
138.03136	0.5
138.06319	1.0
138.53795	0.3
139.03931	2.7
143.04933	3.2
145.06503	1.8
147.08040	0.5
151.03918	2.7
151.05003	0.4
153.05461	0.7
155.06058	1.0
157.70175	0.3
160.05128	0.4
167.07063	8.8
173.05975	2.9
175.07527	0.9
181.04962	10.2
191.07065	0.4
203.07130	1.3
205.08618	2.2
217.08676	0.3
219.10187	1.3
233.08081	1.0
235.09639	2.0
271.09369	0.3
304.83679	0.3
357.13339	13.0
358.14154	0.4
387.14401	25.7
388.14532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03934	0.6
55.01852	0.8
62.33136	0.4
65.03936	1.5
66.84915	0.4
67.05488	1.0
69.54037	0.8
69.54446	1.7
70.39974	0.4
77.03941	0.5
78.04704	0.4
78.88897	0.3
79.05489	1.5
81.03438	0.8
82.04215	0.4
85.02892	1.1
91.05487	1.1
93.03436	0.5
94.04186	2.4
95.04948	1.0
97.06550	3.8
103.05473	6.8
105.03421	0.4
105.04490	0.4
105.07041	1.0
107.04958	2.0
108.02116	0.7
111.04408	0.5
115.05452	2.6
117.07011	2.2
118.04184	1.8
119.04959	0.8
120.05711	0.5
122.03662	7.2
123.04412	1.8
125.05994	0.6
129.06982	0.3
130.04111	0.6
131.04944	6.1
132.05765	0.4
133.02879	0.7
133.06511	1.3
135.07982	0.4
137.05983	100.0
138.06326	1.0
139.03896	6.7
141.05484	0.4
143.04939	2.9
145.06485	2.5
146.03651	0.6
147.04439	0.6
147.08052	0.5
148.05182	3.4
149.06009	0.4
151.03914	16.7
151.05006	1.4
153.05507	0.7
155.06059	0.9
161.06023	1.1
163.03925	0.7
163.07541	5.5
167.07042	10.4
167.08447	0.6
171.04396	0.7
173.06012	3.6
175.07579	1.5
175.43465	0.4
175.98407	0.4
176.04712	1.0
181.04964	20.7
187.07559	0.3
189.05373	0.4
191.07037	22.3
193.08604	0.8
203.07016	1.7
205.06932	0.5
205.08615	2.5
209.08081	0.7
217.08650	0.8
219.08127	0.8
219.10097	3.8
233.08218	1.1
235.09586	2.3
246.06844	0.3
267.09970	0.4
277.08606	0.5
295.09619	0.6
295.41357	0.3
305.08203	0.4
319.09995	0.4
325.10800	0.4
337.10553	0.6
351.12112	0.5
355.11716	0.9
357.13373	11.6
387.14392	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	386.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65097	5.8
55.06222	5.5
57.03426	23.6
69.03433	79.0
70.06591	5.6
71.08250	12.7
73.02907	8.1
76.92136	5.0
81.03397	9.3
85.02911	100.0
87.04482	52.3
97.02895	60.9
109.02848	6.5
110.76979	5.2
115.03941	69.4
127.03916	23.4
133.04971	92.5
145.04961	34.9
150.07672	6.6
163.06017	13.7
167.07040	21.3
167.08838	5.8
183.58003	6.0
295.10556	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	387.1291
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03946	0.7
55.01878	0.5
57.03438	0.4
57.87182	0.2
63.46695	0.2
64.27551	0.2
65.02075	0.3
65.20159	0.2
67.05510	0.4
69.03437	1.1
69.75388	0.5
69.75800	0.8
70.06597	0.3
71.05001	0.5
72.08140	0.2
78.04714	2.1
79.05499	1.6
81.03412	0.5
81.04548	0.3
81.07072	1.3
83.04981	0.3
85.02900	1.8
86.09702	0.7
91.05487	1.6
93.03379	0.3
93.07045	0.9
95.01352	1.3
95.04993	1.4
95.08647	0.3
97.02873	0.5
97.06550	0.2
98.20839	0.4
99.04457	0.6
102.10692	0.2
103.05502	0.6
105.07034	1.6
106.04190	1.8
107.04977	1.5
107.08589	0.5
109.02882	0.6
109.06523	0.5
109.10114	0.3
111.04420	0.3
115.03991	0.3
115.05475	0.3
119.08581	0.7
121.06528	1.1
121.10168	0.4
122.03636	0.6
123.04436	4.6
123.08041	0.3
124.03979	0.7
124.05214	1.8
125.05919	0.2
127.72020	0.3
133.06483	1.3
133.10080	0.3
134.03685	0.4
135.11703	0.3
137.06000	2.8
141.01830	0.8
143.26166	0.2
145.05003	0.3
145.10172	0.3
147.04503	0.3
147.08052	0.3
147.11722	0.3
149.05989	1.2
149.09671	0.3
151.03943	1.6
151.07594	0.6
152.04666	1.7
152.48387	0.3
161.06024	1.0
163.11235	0.5
165.09102	0.8
167.07051	100.0
168.04222	0.3
168.07417	1.1
179.07100	0.7
181.04962	0.3
181.08609	1.6
189.12746	0.4
193.08646	3.8
207.13797	1.5
211.09668	2.8
215.57788	0.2
221.36522	0.2
225.10999	0.7
225.14818	1.2
261.66260	0.2
268.08316	0.4
369.19400	0.3
387.16632	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.2
55.01862	3.2
57.03428	3.1
61.02917	9.1
67.05524	3.8
69.03435	20.2
69.07058	2.6
71.04996	5.3
71.49191	3.5
73.02911	4.4
79.05497	27.1
81.03415	8.5
81.07061	4.9
85.02911	82.1
85.06551	30.0
91.03938	3.0
91.05508	4.0
97.02884	17.4
97.06526	7.8
97.61915	2.4
99.04460	4.5
105.03395	32.4
105.06991	2.4
109.02918	6.5
115.05472	2.5
117.06978	3.5
122.03638	3.1
123.04445	100.0
127.03946	19.1
137.05972	44.3
139.03928	25.5
145.04980	42.9
151.03909	3.6
163.06024	8.9
163.07463	3.8
167.07050	6.9
170.08585	2.4
181.04956	13.8
189.09135	9.5
201.08963	2.9
219.10126	12.1
229.10852	2.7
281.92413	2.7
321.57101	2.8
357.13104	5.5
387.14297	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	386.1596
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
51.92963	0.7
68.99807	1.0
69.03422	0.8
70.06598	100.0
70.94108	1.7
71.05004	1.9
79.05523	1.1
81.07051	1.2
85.02901	1.4
91.05487	1.5
93.07057	0.7
100.84964	0.7
103.05465	1.2
105.07101	0.9
107.04955	2.0
113.06009	1.5
117.03448	0.7
119.04947	2.3
121.06531	1.8
123.04436	11.5
135.04448	2.3
137.05931	1.7
140.90250	0.7
145.08569	4.3
146.47615	0.7
147.04446	8.0
149.06038	4.7
163.03952	2.7
163.11220	1.1
165.05487	3.7
177.05482	55.0
189.05499	1.0
207.06497	1.4
224.14111	2.2
234.11188	4.5
246.09831	0.7
329.10251	11.7
386.15988	43.0
387.15808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3103
Annotation	8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid
Peak:m/z	Relative Intensity
53.03948	5.5
55.01860	3.7
55.05503	17.1
57.07072	7.9
67.05511	53.3
69.03157	3.9
69.03437	42.6
69.07095	22.6
69.31541	37.6
75.73118	4.0
79.05502	33.1
81.07065	67.0
83.04996	6.9
83.08604	14.8
85.06537	4.9
91.05485	36.9
93.07047	69.2
95.04990	51.0
95.08615	99.5
97.06484	5.1
97.10181	4.5
99.08079	4.4
102.76566	3.8
105.07043	74.4
107.04942	4.2
107.08595	100.0
109.06510	7.1
109.10158	63.3
111.08051	4.5
116.09097	4.4
116.45804	4.1
117.07000	10.8
119.08590	70.7
120.24373	4.1
121.10138	73.8
123.08086	15.0
123.11710	26.6
129.06990	6.9
131.08621	24.2
133.10143	62.3
135.08081	38.2
135.11696	57.0
137.09566	5.8
137.13228	9.3
143.08583	9.8
145.10133	31.7
147.08052	7.2
147.11711	41.8
149.09595	14.8
149.13290	25.9
151.11227	8.0
155.08556	5.3
156.09372	4.0
157.10138	16.0
159.11699	35.0
161.09639	10.0
161.13284	44.1
163.11192	13.3
163.14859	24.6
165.12703	6.5
169.10159	5.5
171.11682	11.9
173.13269	12.7
175.11183	9.4
175.14828	13.8
175.16364	3.7
177.12749	19.4
177.16307	9.3
179.14337	19.2
183.11746	8.2
185.13286	13.4
187.14769	11.3
189.16423	30.1
191.14374	6.6
191.17967	35.7
197.13210	8.1
199.14841	10.0
201.16431	12.7
203.18085	22.8
205.15869	8.9
207.17435	8.4
211.14812	7.1
213.16344	8.5
215.17915	5.1
217.15813	5.6
217.19452	7.3
219.17442	6.0
227.17876	7.2
229.19469	5.9
239.17886	6.8
253.19308	5.0
259.09360	4.2
265.19281	5.3
299.27325	13.0
323.27267	5.0
349.28787	6.2
365.79944	4.2
367.25916	6.0
367.30005	40.2
370.62106	5.4
385.26819	7.9
385.31339	88.2
386.31348	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	385.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52340	1.9
55.05512	9.2
56.64424	1.5
57.03435	9.1
57.07084	3.2
65.88241	1.7
67.05514	19.9
69.07082	13.8
71.04996	10.6
71.50789	2.2
79.05499	8.3
81.07055	23.9
81.13437	1.5
83.08614	6.2
83.25754	1.7
85.06551	3.7
91.05481	4.7
93.07052	10.8
93.71776	1.5
95.08613	30.5
97.06531	5.8
97.10156	5.5
99.08098	2.6
105.07036	2.0
107.08588	9.9
109.10169	17.5
110.65624	1.7
111.08101	2.3
111.11756	2.6
119.08589	4.6
121.10149	13.4
123.11703	7.1
135.11723	8.9
137.13248	3.1
147.11705	1.9
149.13255	7.7
149.40965	1.9
151.14835	3.9
155.14333	4.0
161.13197	2.2
163.14900	2.6
169.15938	4.7
173.13257	2.0
177.16447	2.5
187.14772	1.9
261.25760	17.1
279.26935	9.4
289.25330	5.2
307.26312	20.5
325.27448	1.8
385.29269	100.0
386.29788	3.0
406.76291	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2739
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
53.03953	1.5
55.05510	5.8
57.07067	2.9
62.07750	1.3
65.28403	1.3
67.05511	24.3
69.03429	4.6
69.07068	8.8
71.04981	1.4
71.49584	1.5
71.49971	1.6
79.05502	16.5
81.03431	2.7
81.07061	29.3
83.04988	5.0
83.08614	4.6
85.06544	4.0
87.04484	1.5
91.05489	28.2
93.07054	35.4
95.04975	5.4
95.08620	25.9
97.06528	3.1
105.07036	36.5
107.08599	33.4
109.06530	7.7
109.10166	100.0
111.08086	4.4
115.05489	2.5
117.07035	9.4
119.08591	47.5
121.06504	3.1
121.10162	31.0
123.08069	2.5
123.11707	13.4
125.09695	3.0
128.06235	3.2
129.06995	4.9
130.07790	1.8
130.10680	1.4
131.08572	20.8
133.06499	1.4
133.10141	63.5
135.08076	5.4
135.11729	8.6
137.09607	5.5
137.13300	3.6
139.11169	1.6
141.07019	2.3
142.07803	4.0
143.08586	13.4
144.09380	2.7
145.10126	23.9
147.08061	21.4
147.11703	19.4
149.02327	2.3
149.09630	4.2
149.13271	5.0
151.11201	15.2
155.08592	5.0
156.09332	2.4
157.10144	10.8
158.10951	2.5
158.37564	1.5
159.07988	1.7
159.11716	19.1
160.12398	1.6
161.09616	10.1
161.13275	9.0
163.11177	4.8
163.14870	3.7
165.12755	7.3
167.08543	1.9
169.10146	8.7
170.10931	2.4
171.11732	6.5
172.12437	2.0
173.05936	1.7
173.09616	2.1
173.13281	12.4
175.11220	5.7
175.14824	10.4
177.11220	1.4
177.12666	1.6
177.16472	1.5
178.12450	1.2
179.08624	1.2
179.14307	1.7
181.10115	2.5
182.11006	2.3
183.11722	6.3
185.13312	11.8
187.14832	26.9
189.16376	4.3
191.14333	3.5
191.17908	2.9
193.09999	1.5
195.11671	3.3
197.13287	5.5
199.14862	12.1
201.12820	2.6
201.16423	6.2
203.14293	6.4
204.48639	1.4
205.15959	5.1
207.11803	2.0
209.13258	3.1
211.14877	5.5
213.12915	2.5
213.16380	3.5
215.14262	9.8
217.05019	1.5
217.15944	11.9
221.13359	1.7
223.14850	2.9
223.16946	2.4
225.16388	2.9
227.14302	3.0
229.15901	10.1
235.14810	1.6
237.16379	2.1
241.15840	1.6
245.15630	1.4
246.13840	1.4
249.16408	1.7
251.16302	7.4
267.20734	1.4
315.21347	1.7
321.25827	3.6
329.13644	2.0
331.24286	3.1
337.25247	2.6
339.26865	4.4
349.25439	11.2
357.27750	4.0
367.26254	12.9
385.08875	2.2
385.16724	2.8
385.27362	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2741
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
53.03954	2.6
55.01874	1.7
55.05515	9.7
56.96585	1.2
57.07075	3.0
59.05019	1.8
59.31163	1.0
61.41152	1.1
62.67255	0.9
65.03934	2.5
67.05508	20.6
69.03432	2.4
69.07076	8.4
71.05000	1.4
71.49914	1.6
72.46605	1.1
79.05499	17.2
81.03432	2.1
81.07063	28.9
81.20586	1.0
83.04990	4.9
83.08616	6.6
85.06536	2.5
87.04449	1.3
91.05490	31.7
93.06487	2.0
93.07054	32.6
95.04970	6.2
95.08616	25.3
97.06536	4.5
97.10199	1.6
98.97582	13.8
99.08121	1.4
103.05479	1.5
105.07045	42.6
107.04942	1.9
107.08604	39.1
109.06514	9.0
109.10167	100.0
111.08099	3.8
115.05476	3.7
116.98630	4.8
117.07023	12.6
119.08595	47.6
121.06512	3.2
121.10155	31.9
123.08050	6.1
123.11723	12.5
125.09679	2.2
128.06255	3.8
129.07011	8.0
130.07820	1.3
131.08588	19.5
133.06516	2.8
133.10143	70.3
133.49226	0.9
135.08086	4.6
135.11713	11.1
137.09596	6.0
137.13252	2.9
139.11244	2.1
141.07014	3.0
142.07791	5.3
143.08586	11.6
144.09369	3.6
145.06438	1.2
145.10136	29.8
147.08069	24.9
147.11703	21.3
149.09644	7.0
149.13316	5.2
151.11211	15.4
153.09084	1.3
153.12659	1.1
154.07771	1.2
155.08588	4.4
156.09352	3.2
157.10135	13.7
158.10902	3.1
158.99693	7.1
159.08023	3.0
159.11711	23.2
161.09653	11.0
161.13264	9.6
163.11211	4.5
163.14856	2.6
165.12790	7.1
167.08606	2.7
168.09389	2.3
169.10153	7.8
170.10878	2.6
171.11726	9.0
172.12431	1.2
173.09697	2.4
173.13312	15.2
175.11224	5.7
175.14859	10.4
177.00748	4.6
177.09189	1.3
177.12769	1.2
177.16406	1.8
179.08617	2.4
179.14299	0.9
181.10172	2.3
182.10936	1.9
183.11716	8.2
185.09731	1.7
185.13290	14.6
187.11205	2.4
187.14844	32.4
189.12752	2.5
189.16454	5.8
191.14325	4.6
193.10126	1.3
194.10913	1.7
195.11694	3.4
196.12546	1.1
197.13254	7.5
198.13918	1.4
199.14842	10.9
201.12785	4.4
201.16408	4.4
203.14310	7.3
205.15865	6.0
207.11809	1.5
208.12540	1.1
209.13287	3.1
211.14851	9.8
213.12817	2.4
213.16379	4.1
215.14307	10.7
217.15860	10.2
219.01817	2.4
221.13345	1.4
223.14832	2.6
223.16949	2.8
225.16457	1.8
227.14279	1.7
227.18027	1.6
229.15895	9.0
229.19377	1.5
233.15428	1.4
235.14940	1.8
237.16435	2.2
239.18083	1.9
243.17227	1.4
245.15408	1.4
249.16628	1.5
251.16199	5.7
255.17528	1.9
259.14954	2.0
259.20657	1.5
265.15686	1.1
265.19458	3.1
269.19095	1.2
275.18042	1.3
278.82358	1.1
285.16547	1.4
305.22812	1.1
315.21115	2.2
321.22186	1.7
321.25818	3.1
329.22696	1.6
331.24210	4.1
337.25327	3.8
339.26996	3.3
349.25357	11.0
357.27817	1.2
367.22650	1.2
367.26434	12.6
381.43347	1.2
385.23581	2.4
385.27872	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01891	4.8
55.05518	13.6
56.24083	2.2
57.03423	2.5
57.07072	8.4
58.17788	2.4
67.05502	25.5
68.66628	2.1
69.03430	7.4
69.07055	11.4
69.54995	8.7
69.55415	6.4
71.04993	2.1
71.08629	12.9
79.05493	22.9
81.07055	33.1
83.04983	7.4
83.08615	8.0
85.06548	5.8
91.05489	26.2
93.07043	46.5
95.04983	16.9
95.08609	33.0
96.05762	3.6
97.02895	13.9
97.06536	9.4
97.10197	2.4
99.04420	2.5
99.08090	9.2
105.07032	30.1
107.04987	4.4
107.08600	21.0
109.06532	20.6
109.10168	20.9
111.04462	14.8
111.08066	4.4
113.05992	4.8
117.07015	4.8
119.08587	28.7
121.06516	16.0
121.10161	27.6
123.04443	9.4
123.08084	9.8
123.11717	7.6
124.05209	3.5
125.05949	4.5
127.97133	2.1
129.06966	4.0
129.73589	2.1
131.08569	21.5
133.10127	21.7
135.08046	8.1
135.11696	8.7
137.06007	4.5
137.09599	4.6
137.13300	2.7
139.11143	3.4
141.07045	2.3
142.07742	2.1
143.08591	7.7
145.10123	13.3
147.08054	6.4
147.11705	12.6
149.02373	5.1
149.09615	14.7
149.13281	6.4
151.11200	7.3
155.08521	2.6
157.10095	5.0
159.11693	13.3
161.09586	4.7
161.13295	17.0
163.11172	14.5
163.14832	4.9
165.12775	16.9
167.10648	5.1
169.10123	3.4
171.11684	7.1
173.13301	5.7
175.11292	4.6
175.14880	7.6
177.12698	3.6
179.14354	4.2
181.12239	100.0
185.13231	5.4
187.14819	4.6
189.12727	5.1
189.16449	2.5
191.14285	4.5
193.05020	3.4
195.11569	2.6
197.13258	4.3
199.14899	4.3
203.14580	2.6
203.18027	3.1
205.12042	2.1
205.15794	4.4
207.13753	3.3
211.14766	2.4
213.12799	3.7
213.16479	2.4
215.14503	2.9
217.04984	3.4
217.15892	2.8
227.18011	2.6
263.16324	2.7
279.16339	2.5
289.21661	19.9
305.21008	19.2
329.13861	2.6
349.02472	2.1
349.24551	2.7
351.25281	65.6
367.22418	2.6
367.26346	3.7
377.64832	2.3
385.08881	4.8
385.16931	3.0
385.23587	4.9
385.28152	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	385.1291
Annotation	S-Adenosyl-L-homocysteine
Peak:m/z	Relative Intensity
55.95219	0.5
56.96338	0.6
56.96574	6.2
57.36570	0.5
61.01157	0.6
61.02923	1.2
69.03435	2.7
70.06596	1.8
70.09122	1.8
70.98113	0.8
71.95273	0.5
73.02917	0.8
81.03422	1.4
83.04990	0.5
84.96024	1.2
85.02927	4.9
86.09732	0.9
88.02225	58.3
89.03947	1.2
91.05474	0.5
97.02901	6.1
98.03221	0.6
98.97590	9.2
99.04482	1.6
101.00896	0.8
102.96891	0.8
107.04942	0.7
109.02895	1.2
110.97593	2.6
116.98627	4.9
117.03391	1.1
119.01897	2.0
119.03588	1.0
119.04910	0.8
121.01647	0.7
121.02840	0.6
124.99174	1.0
127.03935	1.5
128.98663	2.5
131.01889	1.9
134.02728	75.7
134.99666	1.2
135.04439	2.2
136.06200	100.0
137.04645	1.0
137.05901	1.0
143.00249	0.9
143.01912	0.9
145.02692	0.8
145.03592	0.6
145.05031	0.5
146.99623	1.2
147.01421	0.8
147.04414	1.7
152.98555	0.7
153.00713	0.7
153.01854	4.6
154.02289	0.6
155.01936	1.0
157.03481	1.0
158.99713	1.6
161.01433	0.5
161.02992	1.6
163.02724	0.5
163.03918	7.9
164.04349	0.8
167.07050	0.7
168.01978	0.8
169.03488	1.2
170.99666	1.5
171.05130	0.7
173.02968	0.9
174.97807	0.7
174.99249	1.6
177.00826	1.5
179.07095	0.6
183.05042	0.5
185.01414	0.6
185.02959	1.2
187.04550	0.7
189.00748	0.6
190.98665	1.0
191.03947	0.7
193.00214	1.1
197.03076	1.0
201.00977	0.7
203.04018	1.2
205.03905	0.6
211.00981	2.2
213.00871	0.8
214.05676	0.9
214.97122	1.0
219.01772	2.7
223.01180	1.1
223.04750	0.8
229.00172	1.1
229.02113	0.7
232.06413	1.0
232.98227	1.5
237.02812	3.0
241.00104	0.6
245.05139	1.4
247.02989	0.8
248.96103	0.7
250.07495	6.4
255.04018	1.2
258.52496	0.6
260.99826	0.7
261.02679	1.6
265.02472	0.7
265.06192	0.6
271.01004	1.1
277.03888	0.6
279.00815	1.0
279.03702	1.1
295.03610	0.6
295.07629	0.7
297.04724	2.2
303.00848	0.6
303.04407	1.1
307.02911	0.6
315.05734	0.8
325.06241	1.3
342.98441	0.6
344.03265	0.7
353.07663	0.7
361.00262	1.2
361.04407	0.7
379.01462	2.3
385.06061	2.3
385.13290	0.8
385.25696	1.2
403.01376	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.9
55.05724	4.1
57.07080	28.1
67.05251	3.4
67.05510	38.1
69.07068	31.6
69.32526	32.4
71.08633	26.0
76.26326	4.0
79.05479	19.4
81.07059	68.0
83.08615	26.8
85.10183	22.5
91.05480	24.7
93.07042	37.6
95.08604	66.7
97.10160	19.5
100.72807	3.5
105.07033	37.9
107.08601	37.0
109.10159	52.5
111.11700	11.1
119.08583	29.6
121.10184	26.2
123.11737	21.2
131.08525	7.1
133.10130	34.1
135.11693	49.4
137.13239	8.2
145.10138	10.3
147.11691	49.6
149.13249	17.0
159.11723	10.7
161.13274	36.9
163.14841	8.8
168.83479	3.9
173.13231	11.2
175.14804	15.8
177.16357	3.5
187.14778	5.4
189.16344	19.9
201.16376	14.5
203.17929	14.0
215.18016	9.6
217.19499	7.0
227.51064	3.7
229.19548	9.4
233.22617	6.0
243.21184	9.1
247.24123	5.6
257.22751	7.3
260.19955	3.6
273.25754	4.9
287.08743	4.1
299.27380	6.3
313.28693	4.0
361.24387	3.7
383.20529	4.5
383.36731	100.0
384.37143	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1152
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
51.97388	0.4
55.01863	1.7
56.96568	0.8
57.03437	2.9
57.50868	0.4
59.05000	0.4
61.02920	0.5
61.57661	0.5
69.03432	1.2
71.01349	1.2
71.48837	0.9
73.02907	1.6
85.02916	2.7
88.02231	0.6
97.02900	1.6
98.97579	1.4
99.00812	0.7
102.22865	0.4
105.06966	0.6
115.03904	0.6
119.03595	0.7
121.05110	1.8
127.03882	0.5
133.04958	0.6
134.02704	1.1
135.06662	1.6
136.06190	24.9
137.04578	0.8
147.04393	1.3
148.06184	7.5
151.03920	1.1
161.04631	0.5
161.05984	0.8
162.07758	36.6
188.05685	11.9
192.05162	18.0
200.67601	0.5
206.06770	7.1
210.99147	0.6
216.05261	1.2
222.03845	0.6
229.00226	1.1
234.06242	11.7
252.07283	100.0
253.07597	1.5
280.08932	0.4
294.08469	0.6
384.11499	23.7
387.70032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.5
53.03941	4.2
53.41512	2.4
55.05517	22.8
57.07066	6.8
62.58641	2.0
65.03944	5.0
67.05506	40.3
69.03419	2.3
69.07074	30.0
69.71111	9.7
71.04985	7.6
71.08663	2.4
78.40248	2.5
79.05503	25.4
81.07065	64.6
83.08614	11.5
85.06554	18.5
89.42504	2.4
91.05482	29.7
93.07054	64.6
95.04966	7.1
95.08614	93.3
97.06517	6.3
97.10178	7.1
105.07043	67.1
107.08607	67.5
109.06554	6.4
109.10167	81.5
111.08086	5.6
117.07053	5.2
119.08596	100.0
119.50932	2.4
121.06495	3.8
121.10159	59.3
123.08099	7.6
123.11729	18.6
127.11205	3.7
129.06958	6.7
130.07944	2.5
131.08575	15.9
133.10149	52.5
135.08134	4.6
135.11707	37.5
137.09669	3.2
137.13297	10.0
142.07765	4.3
143.08589	9.3
145.10153	28.9
147.08061	7.2
147.11702	43.2
149.09714	3.0
149.13266	37.7
151.07578	6.7
151.14836	3.0
155.08578	3.4
156.09320	3.0
157.10124	12.0
159.11716	35.0
161.09590	3.7
161.13274	48.5
163.11211	3.1
163.14828	26.6
165.09158	9.1
167.74663	2.8
169.10204	3.1
171.11693	5.4
173.09587	2.6
173.11900	3.6
173.13278	15.0
175.11200	2.8
175.14841	42.5
177.12773	3.4
177.16440	7.1
179.14297	7.7
185.13301	7.8
187.11459	2.5
187.14877	14.9
189.16345	17.4
190.44940	2.2
191.14310	5.1
191.17963	49.7
193.15877	4.0
197.13264	4.0
199.14864	5.1
201.16388	14.3
203.14397	7.5
203.17953	20.3
205.19499	6.3
207.13797	3.1
207.17508	2.6
213.16391	3.3
215.17949	9.4
217.19519	13.3
220.08609	2.3
221.15475	8.8
227.17966	7.0
229.19661	6.3
231.21167	3.0
233.19125	4.3
241.19565	5.3
243.21133	4.4
255.21190	5.0
257.22754	9.7
259.20523	2.5
267.12131	2.5
295.24283	3.5
327.14099	3.7
365.25116	3.5
365.32114	22.2
383.15439	3.1
383.20590	64.3
383.25674	12.6
383.33182	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03935	5.9
55.05505	14.4
57.07078	8.6
67.05508	40.2
69.03423	17.7
69.07054	10.5
71.04984	7.0
74.02474	3.0
79.05495	33.4
81.07053	50.3
83.04980	6.2
83.08611	5.8
85.06541	6.9
91.05487	48.5
93.07048	100.0
95.04988	27.7
95.08611	46.4
97.06524	16.3
98.21558	4.7
100.32199	3.3
105.07033	91.8
107.08605	57.3
109.06504	21.1
109.10156	26.1
111.08075	10.8
115.05448	5.4
117.07028	17.5
119.08593	63.8
121.06496	15.6
121.10135	46.2
123.08082	25.3
123.11687	3.9
128.06181	4.8
129.07001	13.8
131.08583	36.1
133.06519	10.4
133.10168	32.9
135.08096	17.4
135.11691	11.1
137.09605	7.5
141.06975	5.6
142.07800	17.2
143.08548	26.8
144.09334	5.4
145.10141	45.1
147.08055	30.6
147.11696	24.2
149.09583	21.7
151.07562	35.4
155.08597	6.2
156.09277	6.5
157.10130	44.5
159.08148	7.6
159.11731	22.5
161.09619	24.4
161.13242	14.0
163.11234	7.2
165.09116	37.6
169.10133	9.9
170.10910	7.7
171.11723	12.7
173.09639	10.4
173.13301	13.7
174.10420	3.5
175.11209	21.9
175.14868	10.6
177.09132	8.6
183.11772	5.8
185.13280	22.0
187.11212	5.6
187.14786	6.7
189.12723	10.6
191.14371	3.8
191.17963	5.2
195.11784	6.0
197.13297	6.0
199.14804	7.1
201.12743	8.8
203.14330	28.6
207.13823	14.9
209.13300	4.3
209.15343	6.8
211.14763	5.8
213.12793	9.9
215.14299	10.7
219.13811	9.4
221.13264	3.0
221.15369	67.9
221.17377	6.7
231.13736	5.3
233.15387	11.3
234.16183	15.2
281.18857	5.6
286.19437	4.4
287.20102	11.6
293.43869	3.5
299.20032	6.5
303.19577	10.4
365.24893	12.2
383.25745	82.4
383.33344	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	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.0
55.05521	15.5
57.03438	3.6
57.07067	11.8
59.04998	6.5
65.03938	3.3
67.05510	37.1
69.03439	13.9
69.07067	11.0
69.15264	22.5
69.15672	5.6
71.04977	5.8
79.05501	33.4
81.07063	49.7
83.04967	8.5
83.08629	3.2
85.06561	8.5
89.69874	2.8
91.05482	55.4
91.34471	2.7
93.07046	100.0
95.04971	28.2
95.08061	5.0
95.08614	57.1
97.06543	15.7
105.06322	4.8
105.07034	94.2
106.57824	3.1
107.04975	3.8
107.08604	48.7
109.06537	24.4
109.10170	32.4
111.08078	8.2
117.06982	13.2
119.08592	64.7
121.06531	17.3
121.10149	52.0
123.08077	33.8
123.11684	5.0
128.06265	5.6
129.07002	15.7
130.07790	4.1
131.08592	34.6
133.06497	8.5
133.10149	35.3
135.08058	22.4
135.11714	9.5
137.09647	12.4
141.07007	4.2
142.07788	22.1
143.08565	25.5
144.09265	4.6
145.10114	45.6
147.08078	22.9
147.11711	21.4
148.08830	4.5
149.09634	33.2
150.10304	3.8
151.07538	35.1
151.11177	3.3
155.08543	7.4
156.09335	11.4
157.10144	40.8
159.08055	11.4
159.11722	21.9
160.08893	3.1
161.09647	25.7
161.13301	11.0
163.11159	9.9
165.09117	55.9
167.08536	3.0
169.10162	8.8
170.10922	4.9
171.11691	12.0
173.09669	11.2
173.13225	13.5
174.10410	3.6
175.11201	22.4
175.14798	13.2
177.09123	12.1
178.09982	3.1
179.08527	3.9
181.10106	2.9
183.11707	7.4
185.09659	3.8
185.13252	19.6
187.11162	8.4
187.14897	4.8
189.12677	12.9
191.14388	4.3
197.13252	6.6
201.12730	9.0
203.14319	35.1
207.11940	4.2
207.13731	15.0
209.13330	6.4
209.15240	6.3
211.14876	3.6
213.12767	4.5
215.10640	3.4
215.14388	6.5
216.15085	5.1
219.13751	9.2
221.13287	3.2
221.15376	86.6
231.13846	6.0
233.15445	6.2
234.16151	17.7
235.07874	3.0
243.13826	4.2
255.17561	4.5
263.18079	3.6
271.17029	3.8
281.19025	5.6
286.19351	5.6
287.20169	5.7
299.19943	6.5
303.19504	9.2
347.23694	3.2
365.24725	11.9
383.15054	2.9
383.25723	80.8
384.26367	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03930	4.0
54.03105	3.9
55.05510	16.1
57.07073	11.4
59.05001	7.8
67.05505	40.6
69.03414	13.5
69.07066	12.8
71.04996	9.1
71.21481	2.8
79.05502	30.9
81.07061	41.9
83.04992	9.3
83.08629	7.9
85.06544	6.0
87.25825	2.8
91.05487	44.0
93.07046	100.0
95.04984	22.6
95.08612	43.9
97.06527	15.4
103.05491	5.5
105.07038	76.7
107.04978	5.8
107.08602	50.0
109.06503	27.2
109.10163	25.5
111.04425	4.1
111.08094	8.3
115.05480	5.3
117.07034	11.3
119.08578	56.1
121.06531	10.8
121.10164	52.7
123.08056	28.5
125.09573	3.7
128.06235	7.7
129.06990	16.1
130.07788	8.1
131.08592	30.9
132.09294	4.6
133.06438	5.1
133.10153	35.6
135.08066	26.3
135.11659	5.5
137.06018	4.2
137.09653	14.2
141.84581	3.3
142.07822	16.4
143.08580	22.2
144.09363	5.5
145.06540	4.1
145.10138	41.6
147.08032	26.9
147.11702	16.8
148.08804	3.7
149.09660	25.5
149.13235	4.6
151.07555	39.2
153.09149	4.7
153.80521	3.7
155.08528	7.2
156.09348	8.4
157.10147	42.8
159.08075	10.2
159.11748	15.8
161.09674	21.0
161.13232	8.8
163.11177	4.6
165.09131	39.0
169.10114	10.1
170.10947	6.5
170.50742	3.2
171.11690	9.8
173.09612	12.4
173.13297	11.5
175.11182	19.9
175.14804	10.0
177.09108	11.3
177.12689	3.8
179.08533	3.9
183.11606	8.9
185.13251	18.0
187.11232	5.1
187.14815	3.8
189.12819	10.5
191.14587	4.0
194.10962	3.8
195.11659	3.8
197.13196	5.8
199.14742	5.7
201.12781	8.2
201.85321	3.6
203.14307	29.8
207.11896	4.9
207.13831	13.0
209.13353	5.9
211.14722	3.4
213.12735	5.4
215.14360	9.6
219.11667	4.5
221.15387	69.2
223.14856	6.5
227.14301	4.7
229.25871	3.6
231.13741	3.9
233.15309	7.6
234.16161	11.7
271.17108	3.8
286.19189	4.8
287.20145	10.0
299.20160	4.0
303.19565	6.8
303.86661	3.4
365.24701	9.4
383.25647	85.3
383.33194	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91623	2.8
53.03946	6.2
55.01858	4.9
55.05527	19.2
57.07084	19.3
59.04997	8.0
65.03962	3.0
67.05514	51.1
69.03436	16.8
69.07073	15.3
70.11626	13.8
71.04977	5.6
77.03897	3.8
79.05497	32.9
81.03426	4.4
81.07063	53.8
83.04981	8.0
83.08603	6.2
85.06539	6.2
89.06022	6.9
91.05485	60.2
93.07049	100.0
95.04979	25.1
95.08610	53.4
97.06522	10.9
104.73244	3.2
105.07040	85.5
106.07286	3.5
107.08596	56.8
108.19388	3.2
109.06509	30.8
109.10155	35.8
111.04408	6.4
111.08080	10.2
115.05468	3.6
117.07019	14.5
119.08586	65.6
120.09416	5.0
121.06500	21.0
121.10150	47.8
123.08067	35.2
123.11711	6.5
125.06008	10.4
128.06206	11.5
129.07011	12.8
130.07800	4.4
131.08582	29.6
133.06496	10.1
133.10130	39.3
135.08038	29.8
135.11673	15.5
137.05971	23.6
137.09608	12.8
141.06946	5.4
141.92293	4.2
142.07802	21.5
143.08591	22.6
145.10133	38.0
146.07295	3.8
147.08073	29.5
147.11708	21.3
148.08859	5.2
149.05983	3.0
149.09628	30.1
149.13268	4.8
151.07555	38.5
153.12772	3.3
155.08556	8.9
156.09319	9.2
157.10156	31.5
159.08070	6.5
159.11703	19.1
161.09639	19.6
161.13246	15.1
163.11197	11.1
165.09117	45.1
169.10181	6.2
171.11708	10.8
173.09587	10.5
173.11858	5.9
173.13174	15.4
175.11200	17.8
175.14824	13.9
177.09096	10.1
178.09898	4.7
179.14351	6.7
181.10138	5.8
181.12271	9.8
183.11674	9.8
185.09627	5.6
185.13258	15.7
187.11157	8.2
187.14783	6.2
189.12720	8.6
194.10916	4.5
195.11824	6.5
197.13193	4.6
199.11266	4.4
201.12738	10.1
203.14308	26.4
207.11899	4.2
207.13817	13.8
209.15494	3.4
211.14914	4.2
213.12726	5.5
213.16345	3.4
215.14299	7.2
216.14969	3.4
219.13788	9.4
221.13373	3.5
221.15392	69.8
223.14813	3.9
225.12648	3.9
227.14369	5.3
231.13913	4.9
233.15373	8.4
234.16061	14.9
248.52605	4.0
271.15262	4.8
277.17850	6.6
286.19470	6.0
287.20044	8.6
299.20084	6.6
303.19739	7.1
349.27219	7.3
365.24820	8.8
383.25665	62.6
383.33447	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.1
55.01864	13.4
55.05499	25.3
57.03420	18.7
57.07061	13.3
62.98355	8.1
67.05500	32.6
69.03433	58.9
69.07059	34.0
70.22131	27.3
70.22492	8.9
71.05007	62.7
73.02916	12.9
76.66915	6.6
79.05508	65.3
81.03430	41.1
81.07066	100.0
83.04988	16.9
83.08577	8.8
85.02906	52.7
87.04400	10.3
91.05476	52.7
93.07051	74.9
95.04967	39.6
95.08618	73.5
97.02894	26.3
97.06503	25.7
97.10188	9.7
98.97556	13.7
99.04462	10.2
101.02384	7.6
103.03925	10.9
105.07036	95.1
107.04939	8.1
107.08609	91.2
109.02854	9.4
109.06503	23.0
109.10176	50.3
111.04441	19.9
117.07050	18.4
119.08589	90.5
121.10164	55.3
123.04407	12.9
123.08076	13.7
123.11683	18.1
127.03932	9.0
127.11182	25.8
129.07018	19.6
131.08551	47.6
133.10133	65.0
134.10486	9.4
135.08017	11.4
135.11749	39.7
137.05969	16.7
137.09581	18.2
139.07558	9.2
142.07770	10.8
143.08556	28.7
145.10172	46.6
147.07993	10.8
147.11714	64.2
149.09604	12.5
149.13260	16.2
151.07501	12.7
151.11159	11.9
153.12726	10.7
155.08537	11.2
156.09341	10.0
157.10118	29.3
159.07921	12.0
159.11702	71.2
161.09631	14.1
161.13217	33.2
163.11197	11.8
165.12811	13.3
169.10071	11.0
171.11705	29.5
173.13293	20.7
175.11157	9.5
175.14783	15.6
177.16417	9.5
181.10234	12.8
185.13268	13.2
187.11075	9.4
187.14847	16.0
189.16403	21.6
193.15765	9.9
197.13234	9.5
199.14798	16.0
201.12723	15.2
201.16321	14.3
203.17966	11.8
215.17966	10.6
221.18974	8.9
225.12730	9.3
227.17900	8.8
243.13765	8.1
245.19122	11.3
247.07538	10.7
261.14792	10.9
277.08490	12.0
293.07983	11.3
307.09634	9.0
309.11084	10.9
311.05615	9.7
313.38318	8.3
329.20956	12.4
347.22189	10.3
351.12415	13.3
365.13901	12.8
365.23178	22.4
368.05273	8.1
383.10733	16.8
383.15143	41.5
383.24304	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.4
54.08371	5.5
55.01861	11.0
55.05505	15.8
57.03429	13.8
57.07059	6.4
61.02918	8.6
66.82742	4.9
67.05511	36.2
69.03437	33.5
69.07057	19.9
69.46096	13.6
69.46521	22.0
69.83723	4.3
71.01315	5.2
71.05001	30.3
73.02917	14.7
73.10034	4.2
79.05496	25.9
81.03415	20.4
81.07066	85.1
83.04998	9.6
83.08604	8.8
85.02911	31.7
87.04487	5.2
91.05480	30.0
93.07040	46.8
95.04948	13.0
95.08620	55.1
97.02891	13.8
97.06538	12.5
103.03929	10.7
105.07040	60.8
107.04958	11.1
107.08604	44.9
109.06494	15.6
109.10176	40.6
111.04446	7.0
115.03905	7.2
117.07009	9.2
119.08587	65.8
119.09401	7.9
121.06499	11.5
121.10135	36.5
123.04405	11.2
123.08099	12.3
123.11700	27.4
125.09621	8.5
127.03912	8.8
127.11192	14.0
128.06265	5.8
129.07001	10.9
131.08627	23.5
133.04962	7.9
133.10152	42.2
135.08081	7.6
135.11705	29.2
137.05977	22.3
137.09642	11.0
142.07782	5.5
143.08585	23.0
144.09254	6.1
145.06450	8.0
145.10130	27.7
147.08051	10.0
147.11682	35.5
149.05994	6.5
149.13287	12.4
150.91440	5.0
151.11191	7.6
153.12675	8.1
156.09265	7.2
157.10172	26.1
159.08086	10.9
159.11685	37.8
161.09610	8.4
161.13225	12.2
162.06842	5.9
163.07626	7.4
163.11148	7.3
169.10193	8.0
171.11714	20.1
173.09590	6.4
173.13281	15.4
175.07512	14.0
175.11179	11.8
175.14847	13.8
177.12793	7.5
183.11717	14.4
185.13268	9.3
187.07565	5.6
187.14781	8.1
191.14252	6.6
193.15923	6.8
194.53610	5.1
195.11769	7.3
197.13336	7.4
199.14877	6.8
201.05437	18.1
201.12741	6.9
201.16364	10.8
203.17967	18.5
213.12776	5.4
215.18019	8.1
217.10570	5.7
219.17502	8.2
221.08026	6.9
221.18979	7.6
225.12790	5.8
233.18996	20.0
245.09479	11.0
245.19035	12.7
247.07617	6.5
248.08313	8.2
249.09093	7.2
261.09091	7.7
261.12253	5.0
261.14883	5.9
262.06271	7.1
273.09048	21.1
276.07751	8.4
277.08670	14.4
279.10205	5.7
287.20010	7.2
289.05066	6.7
289.08267	6.1
290.06036	6.7
290.09399	14.6
291.10083	15.5
293.08441	7.1
301.08630	6.8
305.08185	16.8
305.11844	15.6
307.09479	6.8
309.11151	10.9
311.20212	9.2
318.08704	14.3
319.09512	6.5
321.11066	6.8
323.12808	12.2
324.09732	5.4
329.21112	15.8
333.11163	39.1
337.10626	15.8
337.14249	8.6
339.12308	13.7
347.22101	10.5
350.11557	14.6
351.12479	6.0
353.59897	5.5
355.15619	5.1
365.13776	50.5
365.23132	19.0
366.14383	5.3
383.14993	100.0
383.24582	28.1
384.15237	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	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.7
55.01863	13.1
55.05505	19.8
57.03441	9.2
57.07069	10.1
61.02926	8.8
67.05514	38.7
69.03431	39.4
69.07072	28.3
70.13486	4.2
70.41695	4.3
71.01357	5.3
71.04991	45.9
71.48962	7.1
73.02924	14.3
79.05505	43.2
81.03410	22.4
81.07062	100.0
83.04974	16.9
83.08620	13.2
85.02904	47.5
85.06545	10.2
87.04506	5.6
89.39042	4.0
91.05501	38.0
93.03426	4.0
93.07057	63.6
95.04952	16.0
95.08611	79.8
97.02887	22.8
97.06570	7.5
97.10179	4.7
98.22202	4.2
98.47481	4.3
99.04446	10.6
99.08116	6.8
103.03963	11.6
105.07037	58.5
107.04984	9.2
107.08612	65.2
109.02898	6.7
109.06532	15.6
109.10167	56.5
111.04456	14.1
113.06073	5.3
113.09612	4.5
115.03924	7.6
117.07019	18.6
119.08591	83.7
121.06488	11.5
121.10159	46.7
123.04446	6.2
123.08083	17.4
123.11700	24.0
125.09623	13.0
127.03932	9.2
127.07556	4.2
127.11208	15.8
128.06219	4.4
129.05510	5.7
129.07027	13.2
131.08606	28.3
133.06499	4.6
133.10139	44.4
135.08087	8.5
135.11717	53.2
137.05974	12.8
137.09598	20.7
137.13255	8.2
139.07581	5.3
141.06975	5.0
142.07776	12.4
143.08556	22.2
144.09341	8.8
145.06456	5.7
145.10152	35.5
147.08072	7.8
147.11705	44.5
149.09660	6.1
149.13268	17.4
151.11206	11.2
153.12796	7.5
155.08533	7.4
156.09439	6.9
157.10110	39.1
159.08058	9.5
159.11719	57.2
161.09618	7.5
161.13297	16.7
163.11209	7.0
165.12772	8.1
169.10135	10.1
171.11717	26.0
173.09668	8.4
173.13290	22.6
175.07536	5.9
175.11221	11.8
175.14867	10.0
177.12738	8.6
177.16411	5.4
183.11748	11.8
185.13385	9.2
187.09714	6.7
187.11261	6.4
187.14793	11.5
189.12666	6.4
189.16415	16.0
191.14401	6.3
192.09525	4.9
193.10321	4.8
193.15891	6.8
195.11699	10.5
197.13205	6.0
199.11197	5.4
199.14931	6.4
200.99843	5.0
201.12798	9.0
201.16371	10.2
203.18044	16.3
207.11746	7.5
209.13292	5.5
213.12744	7.5
213.16386	8.6
215.14372	4.9
215.17990	6.0
219.17369	10.0
221.19040	9.2
223.14827	7.4
225.12885	5.5
227.18021	6.5
231.17429	9.2
233.19083	12.3
241.15877	5.2
243.13995	6.6
245.18994	10.1
257.19070	5.8
261.14813	9.9
263.20071	6.5
299.20166	6.4
311.20111	7.5
329.21100	15.1
337.10715	7.0
347.22180	14.0
365.14093	5.5
365.23294	22.0
383.14978	12.6
383.24509	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.0
55.01874	11.8
55.05504	5.5
57.03432	6.0
61.02914	6.1
65.03945	3.0
67.05515	22.3
68.99787	6.5
69.03438	34.5
69.07076	3.1
69.69751	10.9
71.01333	2.9
71.04983	8.6
73.02927	3.4
79.05496	27.8
81.03423	31.6
81.07069	47.5
83.04994	10.4
85.02908	31.7
87.00839	17.2
91.05489	23.5
93.07053	57.8
95.04994	21.5
95.08616	15.5
97.02891	15.3
97.06534	5.4
98.21492	4.8
99.04465	9.3
103.03954	8.4
105.01880	5.5
105.04524	4.0
105.07043	38.7
107.04976	10.6
107.08608	55.0
109.02885	19.3
109.06534	23.3
109.10163	22.9
111.04444	8.1
111.08057	2.4
115.03934	8.2
115.05476	2.2
117.01807	4.1
117.07039	10.1
119.08576	26.7
121.06527	10.9
121.10150	28.1
123.04457	25.5
123.08096	5.7
123.11690	5.9
125.06001	7.8
127.03914	14.9
129.01837	5.8
129.07047	4.5
131.08571	13.1
133.06519	6.9
133.10106	21.2
135.08054	5.4
135.11691	25.8
137.09627	9.0
139.42918	2.3
141.05507	3.0
141.07045	3.7
142.07759	4.0
143.08578	5.1
145.06505	5.6
145.10138	20.9
147.02907	6.6
147.08073	7.5
147.11720	17.6
149.06003	5.9
149.09644	3.4
149.13243	2.6
151.07504	5.2
151.11191	5.6
153.05486	2.4
155.08595	4.5
156.09486	2.4
157.10159	7.4
159.02858	4.7
159.08067	4.2
159.11728	15.9
161.13300	4.5
163.11208	12.0
165.01730	2.3
165.12799	6.6
167.07031	4.6
168.09457	3.0
171.11720	4.3
173.09668	6.1
173.13269	4.1
175.11235	8.1
177.09164	2.3
177.12759	11.6
183.11627	4.3
185.09673	2.7
187.11253	2.8
189.03906	6.4
189.12758	5.0
191.14365	3.5
193.12256	2.9
197.13341	3.1
201.03969	3.3
201.12790	9.5
210.47163	2.4
215.14360	7.0
217.12344	3.7
219.13853	8.5
225.12782	7.9
243.13838	18.1
261.14853	28.0
266.66269	2.2
272.10498	2.5
279.15952	5.0
287.05603	6.6
311.05527	59.8
323.05505	3.7
329.13885	2.5
339.08774	15.4
341.10321	5.6
347.14914	6.1
365.16010	7.6
383.11322	100.0
383.16953	14.5
384.11716	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.4
56.96572	2.3
57.03422	3.7
61.02909	4.9
67.44136	1.4
69.03438	10.8
70.17004	1.4
70.54634	5.1
73.02905	3.4
74.02438	3.0
77.54765	1.5
81.03418	6.5
82.02952	2.0
84.37761	1.5
85.02446	2.3
85.02912	33.1
85.20972	1.4
94.06546	3.6
97.02875	8.6
98.97590	7.7
99.04468	3.4
103.03945	2.8
106.06563	1.7
109.02873	3.9
117.05783	1.8
118.06531	6.4
127.03889	5.8
130.06537	66.6
132.04448	18.1
132.08160	3.3
137.06013	3.4
139.34210	1.7
142.06487	2.1
143.07254	3.0
144.06963	2.4
144.08087	28.8
144.09145	3.2
145.05064	2.6
145.07619	21.1
146.06018	12.3
147.04407	7.9
148.07541	4.4
154.06482	6.8
156.06763	1.6
156.08083	5.1
157.06374	3.5
157.07634	62.1
158.06023	47.9
159.09212	9.3
160.07578	3.2
163.03917	4.1
168.08162	2.9
169.07619	7.1
170.06090	3.0
170.08392	2.9
170.99571	2.2
171.09149	7.9
172.07555	13.6
174.05534	7.5
175.08676	52.6
176.07082	3.2
181.07610	3.9
182.05879	2.1
182.08356	3.7
183.09227	16.2
184.06071	2.2
184.07579	3.6
185.07115	12.5
186.05469	4.0
186.07901	2.5
187.08640	2.7
199.08669	14.0
200.07053	19.1
202.07207	3.5
203.08167	100.0
204.06572	3.5
207.09167	3.4
209.07155	8.9
212.06247	3.6
215.08156	4.2
216.08911	3.8
217.09724	27.1
219.01793	2.0
221.07146	2.4
221.09212	47.7
221.56908	2.1
224.07257	1.7
227.08154	13.5
228.06592	2.6
231.07582	7.6
245.09277	26.3
246.04359	1.9
257.09189	2.8
263.10312	45.0
274.10864	2.2
275.10284	2.4
283.10693	2.2
287.10324	2.4
299.10269	4.4
329.11169	4.6
347.12479	12.0
348.10629	11.6
365.13446	31.6
365.63345	1.6
383.09152	2.6
383.14471	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.3
56.12560	1.3
57.03422	1.3
60.04528	3.0
61.02939	7.6
65.03931	1.9
68.99798	14.2
69.03451	1.3
70.17073	3.5
72.67258	1.1
79.05492	2.0
79.49499	1.1
81.07027	1.5
85.02927	4.1
87.00841	6.0
88.75150	1.2
91.05491	9.0
91.81073	1.5
93.07032	2.1
97.02897	4.8
103.05487	9.5
105.07058	3.3
107.04967	4.8
109.02869	3.3
110.03551	1.2
111.04445	6.0
115.05471	5.0
116.06222	1.1
117.07024	7.3
119.04950	5.4
121.06513	10.6
123.04440	1.7
127.05412	1.5
129.01862	9.9
131.04927	8.6
133.06479	3.6
136.06163	2.4
137.02348	1.9
139.03900	1.3
141.05534	1.4
143.04953	1.3
145.06490	8.6
146.03606	7.8
147.02937	4.3
147.04417	18.2
149.05988	6.9
154.02597	7.4
155.06049	2.6
159.04463	3.8
162.03084	1.9
163.03894	4.1
163.07530	2.4
164.04660	7.5
167.07021	1.9
168.04100	1.6
169.04965	19.4
170.05740	2.9
172.05205	3.9
173.05966	8.7
174.03082	3.2
175.03912	4.4
176.04727	1.5
177.05476	17.1
179.03394	2.1
179.07083	2.3
181.04944	3.4
181.08614	2.0
183.06566	2.5
186.03177	1.2
187.03925	6.0
189.05519	3.5
190.06268	5.4
191.03375	1.6
191.07071	4.7
192.04205	8.2
193.04997	8.5
194.05757	3.3
195.06470	2.2
197.04436	1.7
200.04720	5.1
201.05455	10.0
203.03470	5.8
204.04205	1.2
205.04987	10.5
205.08577	1.8
207.03001	7.1
207.06561	24.3
209.04506	4.5
209.08179	7.3
215.03442	4.4
218.05801	5.4
219.06546	8.0
221.04503	2.8
221.08076	2.8
222.05254	9.7
229.04926	6.9
231.02907	4.1
233.08090	22.8
235.06010	7.7
237.07588	23.2
246.05231	3.2
247.05992	9.5
251.09213	2.9
261.07596	39.8
264.06360	5.0
279.08658	100.0
280.09103	1.5
297.09726	2.7
364.26874	1.4
380.64841	1.4
383.09326	1.6
383.28400	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22049	0.3
54.98641	0.3
56.96566	5.4
56.96824	0.6
70.14812	1.0
71.95262	1.8
83.52769	0.4
88.89498	0.4
98.97588	100.0
116.98627	36.7
119.83158	0.4
134.99663	7.5
140.00188	0.5
147.61729	0.3
181.97372	0.5
192.98914	0.4
204.62245	0.3
216.98804	1.0
234.99881	1.1
240.98653	4.7
241.00731	0.4
258.99777	60.6
259.99933	1.7
261.03061	0.8
274.97620	0.5
277.00833	59.0
278.01056	1.5
282.01343	0.5
283.00021	2.0
284.00284	0.4
298.97583	0.5
300.02353	0.8
301.01004	2.3
359.00552	0.5
382.99896	1.8
400.93295	0.5
401.00992	5.7
402.01328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1711
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01867	6.1
55.93538	2.2
56.96569	4.7
57.03429	2.2
57.07062	4.2
59.05007	2.4
60.23830	2.0
61.02918	2.5
67.05495	3.2
69.03438	9.6
69.07059	4.6
69.13493	1.9
69.98546	8.8
70.02956	4.6
70.06569	2.4
72.04515	20.1
73.02904	7.2
74.06102	2.0
81.03414	9.2
81.07013	1.9
83.04961	2.4
84.12051	1.9
85.02898	14.9
85.06538	8.2
86.09698	2.1
90.05560	79.8
91.05461	1.8
95.04965	6.0
97.02925	9.8
98.02417	11.6
98.97565	9.9
99.04451	3.5
100.04008	3.8
103.07566	5.4
109.02878	9.8
113.06000	5.1
116.03439	14.4
124.07608	17.1
127.03942	11.8
135.04378	2.5
142.08672	11.7
145.04967	4.4
147.04413	4.9
152.05875	2.2
158.99687	4.6
160.09738	2.5
163.03917	10.3
166.08611	2.7
170.86501	1.8
174.11331	3.1
184.09663	17.8
199.06061	4.0
202.10751	42.1
211.09637	2.1
217.07024	5.8
220.11803	100.0
221.09200	3.3
226.96346	3.1
230.10312	2.8
234.09755	2.7
244.97366	3.1
251.14262	1.9
262.12964	4.9
328.13947	8.6
346.14923	3.6
364.15906	3.3
382.02695	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18255	22.7
59.06083	22.0
61.44518	23.1
70.05311	16.8
70.74377	59.8
79.05508	37.1
81.07047	26.5
85.02854	26.7
91.05491	58.6
93.07057	28.1
93.93490	20.3
98.97613	26.9
103.05475	27.8
107.08559	56.4
112.11596	21.4
119.04923	37.0
131.04948	55.2
131.08687	20.6
135.08080	33.3
135.11719	42.5
137.06035	38.2
138.06277	32.1
147.04390	21.5
148.04713	23.2
151.03862	47.2
151.07608	24.5
152.04234	26.6
152.07982	32.1
161.77725	22.6
163.07513	48.8
177.32265	20.3
179.07062	19.5
180.07288	24.8
189.34013	19.1
328.12717	100.0
375.92154	23.7
379.10110	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28844	0.7
69.41095	1.5
69.41500	4.2
124.40176	0.7
125.13577	0.7
182.99484	0.7
201.01581	4.6
219.02634	3.6
381.07965	100.0
382.08173	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3155
Annotation	Phycomysterol A
Peak:m/z	Relative Intensity
53.06311	1.2
55.05512	14.1
57.03437	1.3
57.07068	4.2
66.99350	1.2
67.05508	19.2
68.54075	1.1
69.07072	15.7
70.04994	3.1
70.05394	2.7
71.05000	1.3
71.08636	2.6
73.06565	3.1
79.05495	14.3
81.07059	33.6
83.08626	9.9
85.06546	2.8
91.05479	15.7
93.07048	25.1
95.04974	1.4
95.08609	51.6
97.06556	1.8
97.10175	4.0
99.08089	8.8
105.07036	30.6
105.07703	2.6
107.08599	44.7
107.09322	2.7
109.06499	3.1
109.10160	34.8
111.08081	3.7
111.11705	1.5
115.05452	2.0
117.07007	7.2
119.08591	49.8
121.10154	27.2
121.11035	1.5
123.08109	2.8
123.11696	16.4
125.09639	19.8
125.13268	1.3
128.06276	2.8
129.06955	5.9
131.08574	28.5
133.07693	1.6
133.10133	29.0
133.11093	1.9
135.08063	3.8
135.11687	16.1
137.05998	2.9
137.13275	5.3
139.11240	2.4
141.06976	2.2
142.07814	4.9
143.08572	17.8
144.09430	1.5
145.10124	34.4
147.11673	18.2
147.12634	1.3
149.09651	2.0
149.13274	8.6
151.11287	1.6
151.14879	3.1
153.12732	2.5
155.08582	4.5
156.09372	3.9
157.10127	20.7
158.10942	3.6
159.11703	25.6
161.09718	1.5
161.13266	15.6
161.33871	1.2
163.11212	2.7
163.14815	8.8
165.12828	2.8
165.16479	2.3
167.08675	1.3
168.09444	2.7
169.10152	7.7
170.10915	1.6
171.11685	16.8
172.12239	1.4
173.09654	1.7
173.13281	23.9
175.14818	26.3
177.16422	3.8
179.08577	1.9
179.14302	2.6
181.10167	4.0
181.15845	3.1
182.10960	1.7
183.11671	11.4
184.12534	2.4
185.13235	21.0
185.14618	1.7
187.14838	32.9
189.16405	9.1
191.14357	3.8
191.18002	2.3
194.10957	1.4
195.11731	4.4
196.12518	2.0
197.13275	12.1
199.14847	24.4
201.16396	34.2
203.14409	1.7
203.17992	7.1
205.15848	2.4
207.17509	4.1
209.13254	6.7
211.14893	11.6
213.16374	16.4
215.17961	7.6
219.17503	1.6
223.14932	5.7
225.16333	7.4
227.17940	9.0
229.15868	1.6
229.19595	6.0
231.17601	1.8
237.16464	4.9
239.17902	8.5
241.19414	5.9
243.21149	1.5
251.17938	3.4
253.19603	6.7
255.21216	1.9
265.19507	2.5
267.21265	3.9
275.16043	1.3
279.21124	2.8
281.19553	1.2
281.22800	5.2
285.22244	2.6
287.23972	1.3
293.22772	4.6
297.22263	1.4
307.24240	2.4
308.25174	3.5
309.25754	25.1
311.23682	1.8
311.27444	1.9
321.24802	2.2
325.25333	3.0
335.27472	4.1
339.26648	1.5
363.26834	1.8
363.30484	9.9
381.27673	13.4
381.31696	100.0
382.32095	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53403	1.4
56.96564	2.9
60.04522	1.9
63.90763	1.3
64.69686	1.5
69.03436	2.5
71.48633	2.2
81.03401	1.3
83.04984	1.4
85.02903	4.6
91.05483	3.6
97.02904	2.1
98.97593	4.1
119.04973	2.1
122.03638	2.0
131.04897	2.3
132.95865	2.4
137.05991	100.0
139.03905	4.0
147.04407	5.3
153.01834	4.5
163.03926	6.3
163.07600	4.0
167.03474	1.6
181.08589	9.4
198.11450	1.8
219.01842	1.5
226.96585	1.5
302.17822	1.7
345.72632	1.6
378.08655	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	378.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
60.47700	0.6
61.29599	0.7
61.95497	0.8
69.61477	0.7
78.03456	2.6
79.05487	1.2
80.05021	1.2
81.03419	2.1
85.02912	2.6
91.05471	1.2
93.07049	1.1
96.04468	0.9
97.02900	1.2
106.02931	12.2
109.02906	1.8
111.04498	1.0
121.06527	0.9
124.03966	38.0
127.03907	1.5
130.40836	0.7
136.05260	1.0
137.05998	3.9
138.06786	0.9
148.05205	10.2
153.28082	0.8
161.06036	0.9
165.21535	0.8
177.60713	0.7
181.08603	100.0
182.08971	0.9
216.07625	1.2
237.19429	0.8
243.08832	3.0
250.07143	2.4
268.08279	2.8
378.11703	11.9
379.10153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.1
55.01875	5.1
55.05513	29.1
57.07081	15.7
57.55533	4.9
67.05505	31.8
69.07070	59.3
71.07431	4.4
71.50262	6.5
71.50625	6.2
79.05491	46.3
81.07059	75.4
83.08619	16.2
89.06042	26.6
91.05488	63.0
93.07047	78.1
95.04961	50.0
95.08611	96.7
97.06541	17.1
103.05518	5.3
105.07039	100.0
107.08593	47.4
109.06525	16.5
109.10191	33.1
117.07035	22.0
119.08593	98.8
121.06531	18.6
121.10159	55.5
121.48091	5.0
123.11739	13.6
128.06242	11.3
129.07016	11.2
130.07774	6.8
131.08565	29.2
133.08649	7.4
133.10147	57.2
135.11711	20.2
137.13295	12.8
141.07007	7.7
142.07782	19.4
143.08574	33.3
145.10138	54.5
147.07993	6.4
147.11696	36.4
149.13313	7.4
155.08505	12.1
156.09375	13.1
157.10130	53.8
159.08151	5.6
159.11700	42.4
160.12495	6.0
161.09665	15.4
161.13268	16.2
163.11110	7.0
169.10159	16.4
171.11717	20.1
173.13287	14.2
175.11246	8.9
175.14819	14.3
177.16435	14.2
179.08617	5.9
183.11781	14.4
185.13252	18.1
187.14777	10.1
189.16385	8.7
195.12120	14.5
197.13217	11.8
199.14833	10.3
201.16333	7.4
203.17989	8.8
209.13351	8.1
211.14764	10.8
215.18169	5.3
227.18036	5.7
239.17993	6.9
267.21082	8.2
321.46707	6.0
377.28564	36.0
377.35379	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	377.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
54.80249	3.1
55.01873	6.8
55.05504	16.0
57.07069	3.8
58.93916	3.1
67.05515	26.2
69.03410	3.4
69.07058	11.6
71.02219	8.9
79.05493	21.2
81.07067	34.0
83.04984	24.7
83.08624	14.3
85.06551	5.5
91.05486	29.4
93.07052	86.5
95.04984	7.8
95.08618	45.3
97.06535	28.2
99.08083	8.0
103.05471	4.8
105.07031	46.7
107.08601	64.9
108.31149	3.0
109.06527	17.6
109.10166	68.0
111.08088	40.1
117.07030	7.9
119.08593	52.1
121.06528	28.1
121.10146	56.7
123.08076	20.9
123.11707	17.4
125.09652	5.9
128.06258	3.9
129.06985	7.2
131.08562	30.2
133.06528	5.2
133.10135	74.7
135.08051	19.8
135.11726	18.5
137.09613	37.7
137.13199	4.5
139.06526	6.0
139.07541	77.4
142.07831	5.5
143.08597	22.5
144.09320	4.8
145.09047	6.2
145.10126	58.1
147.08076	16.6
147.11679	34.9
149.09647	15.9
149.13269	19.2
151.10115	3.6
151.11140	15.8
153.09135	6.7
155.08566	9.0
156.09335	6.9
157.10135	21.9
159.08047	3.6
159.11670	34.1
161.09647	12.5
161.13245	24.4
163.11227	16.6
163.14841	24.4
165.12845	4.2
168.09480	3.3
169.10155	14.1
170.11014	4.7
171.11703	30.8
173.09604	3.8
173.13309	18.3
175.11182	7.6
175.14839	12.1
177.12782	11.8
177.16386	20.4
181.10149	4.2
183.11726	11.2
185.13272	29.6
187.11124	4.2
187.14839	53.7
189.12778	19.9
189.16423	8.0
191.14342	6.5
195.11685	5.6
197.13234	13.4
199.14748	16.9
200.58406	3.5
201.12804	7.6
201.16438	3.5
203.14320	12.7
203.17928	7.9
205.15875	89.6
207.17422	4.3
211.14810	7.7
213.16351	8.5
215.14365	4.4
221.19040	19.9
223.14847	8.5
223.16925	100.0
225.16447	9.1
227.14374	3.4
227.18050	4.2
229.15877	5.9
235.14828	5.7
237.16277	3.6
239.17964	4.4
249.16379	6.2
252.18626	3.3
253.15956	5.0
263.18167	4.2
265.19415	4.3
267.17529	8.3
274.17526	3.5
293.22729	6.2
295.23950	5.1
305.22620	12.5
311.23727	14.7
313.25363	5.2
323.19965	4.5
323.23718	73.4
341.20706	6.1
341.24731	83.8
359.25827	36.7
377.27054	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	18.3
67.05496	35.8
69.07076	22.8
70.70982	19.6
70.71341	10.7
76.24146	10.0
79.05504	14.5
81.07049	42.8
83.04971	29.1
85.06554	12.0
91.05492	32.4
93.07062	85.0
95.08620	67.9
97.06526	23.9
105.07046	54.6
107.08627	66.9
109.06537	21.3
109.10165	80.2
111.08067	39.1
117.07024	11.4
119.08598	86.9
121.06492	30.5
121.10156	66.1
123.11694	26.0
129.06938	12.8
129.12704	9.3
131.08572	37.2
133.10150	80.7
135.08078	27.2
135.11691	36.8
137.05984	11.0
137.09642	59.3
139.07579	55.9
143.08534	32.0
145.10161	78.1
147.08049	16.2
147.11693	39.4
149.09557	14.6
149.13275	18.9
155.08501	9.6
156.09309	15.2
157.10133	38.2
159.11731	63.5
161.09618	15.7
161.13248	26.0
163.11172	23.8
163.14801	22.0
165.42378	10.1
169.10103	20.7
171.11678	39.8
173.13237	36.6
175.14824	22.0
177.12706	18.5
177.16388	16.3
181.10077	10.2
183.11618	20.2
185.13275	26.5
187.14812	45.5
189.12720	20.7
189.16409	13.5
197.13251	13.4
199.14813	25.0
203.14351	25.2
205.15907	57.1
209.13274	13.8
211.14854	11.0
213.16426	19.2
215.14279	17.0
217.15851	17.9
223.16969	30.5
225.16446	11.8
267.17462	12.1
300.48972	11.5
305.22623	13.3
311.23642	25.9
323.23825	100.0
341.24817	87.1
359.25848	40.8
377.27847	45.7
377.32260	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
52.61985	0.5
53.03944	2.2
55.01851	0.6
57.03435	8.8
59.05006	0.9
61.02934	3.4
69.03433	15.2
71.01350	2.6
71.04996	3.2
71.28084	0.7
71.28403	0.6
73.02912	2.1
75.04474	2.0
81.03429	3.5
87.04465	0.7
91.05466	0.6
99.04453	5.2
107.04948	0.6
117.05473	1.7
145.07600	2.4
146.03685	0.6
147.04454	1.2
157.06372	1.2
157.07549	0.9
170.07143	2.3
172.08704	33.5
175.08672	0.7
190.09770	1.6
197.12897	2.1
197.85649	0.6
198.06631	8.2
200.08202	5.8
209.25008	0.6
214.09749	0.6
216.07704	17.1
242.08662	0.6
243.08783	76.0
244.07066	0.9
244.09244	1.2
244.18440	0.6
258.63797	0.6
296.80722	0.6
359.13531	3.2
377.14572	100.0
378.14670	1.3
400.10980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1597
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
53.03952	5.6
55.01872	7.3
57.03442	6.3
65.03950	5.2
65.85348	3.5
67.05492	5.2
69.03439	6.2
71.01046	8.1
79.05495	14.1
80.06254	4.0
81.07076	3.7
91.05492	49.9
93.07025	7.7
95.04971	8.0
95.08578	3.5
102.04704	5.4
103.05474	38.0
105.07047	15.4
107.04977	30.1
108.05751	6.2
109.06547	9.8
115.05466	6.6
117.06966	4.4
119.04954	40.6
121.06482	7.8
122.03662	7.9
123.04437	10.1
123.08072	15.9
125.06021	5.5
130.04163	9.0
131.04944	55.8
133.02861	12.8
133.06497	16.1
133.10133	4.9
135.04419	10.1
135.08060	13.6
137.06001	78.3
137.11360	4.1
138.06781	9.9
147.04410	55.1
149.05978	21.8
150.06807	11.5
151.03912	24.1
151.04985	4.1
151.07556	47.5
153.05496	14.3
159.04417	4.0
161.05991	16.7
162.06779	43.4
163.07556	60.8
165.05508	7.3
167.07112	6.9
169.08624	5.8
173.06020	10.5
177.05519	24.3
178.06294	6.8
179.07057	81.7
181.08630	15.7
182.70842	3.4
197.08098	36.0
205.08569	5.0
210.12698	3.6
215.06946	7.9
221.09663	5.5
223.09663	9.0
223.18761	4.4
235.09703	9.7
241.08760	4.3
243.08749	8.9
255.09962	3.6
267.98380	3.7
308.91751	3.6
309.11420	6.9
313.10846	5.2
327.12308	100.0
341.13535	4.4
359.14926	5.5
377.14151	7.0
386.22177	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	376.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42777	1.0
55.01868	3.9
55.05511	3.7
57.07074	4.2
67.05521	9.7
69.07079	12.2
71.08640	30.4
79.05487	5.9
81.07059	11.2
83.08613	1.8
85.06538	2.1
86.06075	1.9
86.09712	12.5
88.11276	100.0
91.05479	5.2
93.07061	9.8
95.04977	12.5
95.08612	11.5
97.06551	3.3
99.08092	4.2
101.15839	1.2
105.07034	5.0
107.08598	10.1
109.06526	14.5
109.10159	3.9
117.07037	1.9
117.53310	1.0
119.08562	5.5
121.06516	2.8
121.10152	3.0
124.73737	1.2
131.08572	3.7
133.10175	6.0
135.08037	2.4
135.11740	1.7
137.09657	1.8
138.12860	1.2
145.10149	2.1
147.11688	2.5
148.94420	1.1
149.09627	2.2
149.13257	2.6
155.08655	1.1
156.13837	5.5
157.10127	1.7
163.14813	1.8
165.12766	63.5
170.15393	2.0
170.35805	1.4
173.13261	4.3
175.11267	2.7
184.13339	5.2
184.16985	3.1
187.14978	1.6
191.14325	8.3
198.18657	1.8
201.12761	3.7
224.20198	8.4
229.09544	1.2
229.19516	1.6
253.19478	1.6
254.21214	3.7
262.21735	5.0
271.20654	6.0
278.24792	21.2
289.21707	7.2
358.31070	4.1
376.27020	2.5
376.32147	35.4
376.36908	3.2
377.32288	1.5
388.89935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.5
53.09748	2.3
55.01863	2.7
55.05519	17.6
57.07068	6.4
65.03917	4.3
67.05518	28.7
69.07068	15.4
79.05505	36.8
81.07064	46.9
83.04980	3.7
83.08608	5.1
84.36625	2.8
85.19870	2.7
91.05486	49.7
93.07053	70.7
95.04977	33.2
95.08612	39.2
97.06546	8.2
103.05462	4.2
105.07040	100.0
107.08592	46.7
109.06532	11.6
109.10170	25.9
110.53819	2.5
115.05450	4.7
117.07015	20.3
119.08590	74.9
121.06522	19.1
121.10159	69.8
123.08041	4.1
123.11694	9.9
128.06232	8.1
129.06999	15.4
130.07822	7.0
131.08574	37.0
133.10144	40.5
135.08055	3.6
135.11745	14.6
141.07069	6.8
141.66980	3.1
142.07777	20.7
143.08578	35.1
144.09354	7.5
145.10133	62.3
147.11697	21.1
153.06876	2.9
155.08542	12.5
155.40930	2.9
156.09305	11.0
157.10127	41.8
158.10765	3.9
159.08031	3.3
159.11708	21.8
161.09634	9.6
161.13237	5.1
165.07036	3.9
167.08618	6.2
168.09337	2.9
169.10141	17.7
170.10957	5.5
171.11708	13.8
173.09619	5.4
173.13304	13.2
175.11189	5.1
175.14804	9.0
179.08549	7.2
181.10138	10.4
182.10968	3.6
183.11734	14.8
185.13226	6.6
187.11229	6.5
187.14745	16.8
192.09273	4.2
193.10068	5.1
194.10893	7.0
195.11760	12.9
197.13336	11.4
199.14803	9.0
201.16386	4.1
207.11748	5.0
209.13237	14.1
211.14816	7.8
213.16393	4.6
219.11717	2.9
221.13239	7.0
223.14793	7.5
225.16425	6.6
235.14963	4.0
249.16466	3.5
251.18073	5.2
253.16074	4.3
263.17792	4.7
265.19382	3.3
270.16977	3.2
289.19073	3.2
357.25327	3.1
375.26758	42.0
375.30847	5.2
375.36517	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	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.3
55.05515	19.1
57.07074	5.8
65.03937	5.9
67.05513	32.2
69.07072	15.3
69.46291	23.5
70.85957	3.0
76.61567	2.9
79.05497	39.6
79.10680	2.8
79.12340	2.4
81.07055	59.9
83.04967	3.2
83.08593	4.5
91.05488	55.6
93.06500	6.1
93.07047	71.4
95.04974	35.5
95.08614	39.3
97.06526	9.0
103.05452	7.0
105.04511	3.2
105.07032	100.0
107.04935	3.5
107.08600	44.0
109.06517	8.9
109.10149	22.4
111.08117	3.4
115.05440	4.7
117.07005	26.1
119.08583	86.1
121.06512	15.3
121.10149	75.8
123.08061	7.0
123.11709	3.2
128.06189	8.8
129.07027	14.8
130.07785	11.1
131.08586	41.5
132.09387	3.8
133.06424	3.6
133.10130	52.6
135.08044	7.0
135.11703	18.6
142.07802	24.7
143.08559	28.5
144.09352	10.5
145.10126	63.5
147.07983	4.3
147.11687	19.5
154.07756	3.5
155.08556	10.5
156.09335	12.6
157.10150	40.8
158.10918	6.9
159.11681	28.8
161.09593	14.4
161.13254	5.6
165.07027	6.3
167.08586	5.8
168.09309	4.4
169.10138	19.4
170.10924	2.9
171.11705	19.3
173.09624	4.3
173.13264	19.8
175.11058	3.6
175.14778	10.4
179.08537	8.7
181.10133	9.2
182.10930	3.2
183.11639	16.7
185.13248	11.5
187.11224	6.8
187.14861	15.7
193.10107	3.7
195.11722	10.2
196.12541	3.8
197.13260	14.0
199.14764	6.9
201.16493	5.2
207.11586	7.5
209.13260	12.6
211.14838	5.5
221.13237	6.2
223.14844	4.9
227.14339	4.2
235.14577	4.3
239.17844	3.7
253.15791	3.2
253.19597	5.5
265.19586	3.8
375.26730	42.7
375.30774	4.4
375.36572	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	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.9
53.21033	3.1
55.01870	4.4
55.05519	15.7
56.69447	2.6
57.07068	6.3
64.61599	3.0
67.05502	24.6
69.07066	15.6
69.44678	2.5
79.05492	35.3
81.03411	3.3
81.07061	53.3
83.04971	3.3
83.08614	5.0
91.05482	57.5
93.07049	67.8
93.07639	4.3
95.04955	27.0
95.08605	40.2
97.06522	6.4
98.21539	7.9
103.05453	6.8
105.07032	100.0
107.08595	41.4
109.06499	9.4
109.10145	25.5
115.05482	4.8
117.07027	17.1
119.04886	3.5
119.08588	74.7
121.06526	15.2
121.10148	68.6
123.08055	5.6
123.11725	7.1
126.18468	3.5
128.06232	8.2
129.06990	14.4
130.07803	8.9
131.08574	39.5
132.09412	4.2
133.10129	42.7
135.11649	14.5
141.06967	6.5
142.07803	17.0
142.48640	3.1
143.08577	29.9
144.09282	5.1
145.10124	59.8
147.08005	6.7
147.11655	21.5
149.09575	3.6
155.08543	9.5
156.09335	6.3
157.10161	43.7
158.10875	3.8
159.08054	5.0
159.11697	30.1
161.09618	10.7
161.13231	5.1
165.07033	4.3
166.07800	3.6
167.08607	5.1
168.09343	6.2
169.10126	17.9
171.11655	19.0
173.09724	3.9
173.13213	21.2
175.11192	7.5
175.14799	10.4
179.08543	6.0
181.10089	9.0
183.11674	12.7
185.13248	11.5
187.14853	17.7
193.10136	10.2
193.56532	2.7
194.10980	4.7
195.11682	12.9
197.13263	7.2
199.14857	6.5
201.16389	5.6
207.11668	5.8
208.12486	3.6
209.13277	11.0
210.13969	4.1
211.14845	9.4
221.13231	8.2
223.14798	9.5
225.16481	3.6
229.00279	3.5
235.14844	4.3
237.16325	3.3
249.16409	3.5
251.18269	3.3
253.15735	4.0
253.19496	5.2
261.16354	3.8
265.19492	3.9
275.95856	3.1
337.73431	2.8
375.16238	3.4
375.26721	38.1
375.30786	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	375.2535
Annotation	(+)-folicanthine
Peak:m/z	Relative Intensity
53.03931	0.6
55.01874	0.9
55.05508	3.7
55.86969	0.6
57.07069	1.6
59.97470	0.6
61.77748	0.7
65.03927	0.9
66.40923	0.7
67.05507	6.9
69.03423	0.8
69.07081	4.0
71.04980	0.7
79.05499	5.6
81.03395	0.8
81.07059	13.2
83.04980	1.4
83.08615	2.1
91.05478	6.9
93.07051	10.3
95.04973	1.9
95.08617	11.5
97.10162	1.3
99.08131	0.9
103.05476	1.3
105.07048	13.7
107.04961	1.3
107.08608	10.6
109.06508	6.3
109.10171	13.5
110.10502	0.8
111.04450	1.0
111.08094	1.4
115.05500	0.6
115.77719	0.6
117.07011	2.1
119.04953	0.9
119.08597	12.9
121.06510	2.9
121.10159	10.9
123.04436	5.4
123.08066	1.8
123.11715	5.6
125.09660	1.4
129.06992	1.6
131.08611	4.4
133.06499	2.6
133.09164	0.9
133.10141	11.8
135.08072	3.0
135.11734	4.1
137.05988	100.0
137.13240	1.6
138.06346	1.2
143.08583	1.6
144.09334	0.9
145.06458	1.1
145.10159	6.6
147.11682	4.9
149.06006	4.3
149.09634	1.5
149.13269	2.9
150.70877	0.7
151.07550	25.9
151.11179	2.3
155.08603	0.9
156.09380	0.9
157.10143	2.7
159.08090	0.9
159.11723	6.3
161.06099	0.9
161.09613	0.7
161.13287	3.6
163.07610	3.4
163.11198	1.0
163.14796	1.6
167.07072	0.9
169.10141	1.1
171.11723	2.6
173.13290	3.1
175.07594	1.4
175.14807	2.3
177.09143	3.0
177.12779	1.4
177.16397	0.9
179.10634	2.2
183.11694	1.8
185.13258	2.1
187.14856	3.5
189.09192	1.1
189.12781	0.8
189.16348	4.5
191.10666	1.0
193.10182	0.8
195.11784	1.1
197.13293	1.1
199.11369	0.7
199.14838	1.5
201.12848	1.1
201.16469	1.2
203.10638	0.8
203.17947	1.9
205.12190	1.2
205.15892	0.8
207.13683	0.8
207.17526	1.3
209.13297	1.0
211.14702	1.0
213.16496	1.3
215.18033	1.5
219.13705	1.2
235.14946	0.9
237.16315	1.0
245.15427	2.5
251.18039	0.9
259.16943	1.7
259.78546	0.8
263.17776	0.7
275.00854	0.6
305.22485	1.0
339.23209	4.9
357.24237	2.4
375.25372	78.0
375.30487	5.9
376.25708	2.7
395.80121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2532
Annotation	Corymbi-7,13E-dienolide
Peak:m/z	Relative Intensity
53.03953	1.7
55.01867	2.6
55.05509	2.8
57.07080	1.6
65.03909	1.7
66.44006	1.2
67.05497	9.6
69.03427	3.1
69.07063	5.2
70.25987	2.6
70.26391	4.4
79.05489	13.9
81.03409	2.4
81.07059	37.6
83.04974	3.7
83.08611	2.5
85.06539	1.5
87.65961	1.4
91.05477	10.1
93.07049	13.1
95.04972	7.3
95.08614	9.5
97.06523	4.4
98.21447	1.5
99.08084	1.7
103.05534	1.7
105.07046	18.3
107.04926	2.2
107.08597	16.3
109.06526	26.8
109.10149	9.8
117.07008	4.1
119.08578	25.3
121.06490	4.8
121.10145	13.3
123.08048	4.6
123.11695	3.9
127.07563	3.7
129.07004	2.5
131.08577	10.2
133.06516	3.6
133.10136	23.5
135.08089	6.7
135.11688	5.5
137.05977	60.2
137.09601	4.9
137.13249	2.0
138.06367	1.8
141.06932	1.5
142.07767	1.6
143.08548	5.5
145.10123	25.0
147.08080	2.2
147.11693	10.3
149.09631	4.2
149.13274	3.8
151.07562	1.9
151.11209	4.9
157.10135	6.0
159.08040	2.6
159.11685	13.2
161.05931	1.7
161.09636	7.0
161.13280	5.8
163.07568	11.5
163.11162	6.9
163.14809	4.1
165.09132	5.8
167.07022	1.8
169.10135	3.4
171.11682	3.9
173.09644	2.7
173.13232	4.8
175.07510	1.6
175.11185	1.9
175.14816	9.9
177.09119	5.9
177.12798	3.0
177.16403	5.8
179.10686	6.4
182.45361	1.5
183.11790	2.2
184.02684	1.3
185.13257	5.3
187.11192	5.3
187.14815	28.0
189.09073	1.5
197.13339	2.2
201.16380	1.7
203.14308	2.1
205.12305	16.1
205.15866	28.3
209.13310	3.0
211.14874	2.1
213.16283	1.7
215.14050	1.9
217.12370	1.5
219.13834	2.9
219.17436	2.3
223.11095	1.4
223.14929	2.8
223.16914	19.0
233.13171	1.5
233.15395	2.2
237.16328	2.7
247.16919	1.8
263.18008	1.8
321.22125	3.8
327.23087	2.8
339.23190	13.6
357.24258	13.8
375.25357	100.0
375.30396	3.7
376.25903	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36548	1.3
61.18552	1.1
62.78526	1.3
65.27802	1.1
71.23026	1.2
71.49448	1.2
79.05487	2.7
89.60087	1.1
91.05487	5.0
94.36002	1.4
103.05442	1.8
105.07039	10.4
111.04527	1.5
115.05479	3.5
117.06998	3.3
119.04971	2.1
121.06494	2.0
125.70139	1.1
128.96553	1.2
131.04951	1.8
133.06540	8.4
137.05977	4.1
143.08569	2.0
151.03900	4.5
151.07564	12.4
161.06010	7.6
162.06850	2.8
167.07059	11.8
174.68748	1.2
175.07564	2.7
177.09120	100.0
178.09431	1.4
193.08623	41.1
195.10156	6.0
221.11746	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	375.2379
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03931	4.9
55.01875	5.7
55.05513	22.2
57.03433	9.7
57.07077	7.6
58.63781	2.2
59.04995	2.4
60.61052	2.4
61.02928	10.4
67.05490	7.3
69.03439	34.0
69.07071	46.2
71.04991	11.4
73.02911	6.3
73.20650	2.5
76.66463	2.3
79.05507	6.7
81.03423	14.5
81.07064	31.3
83.04980	11.9
83.08627	10.5
85.02908	90.2
85.06550	20.4
86.29659	2.5
87.04485	6.8
91.03968	5.9
91.05463	5.7
93.07058	17.1
95.05777	2.6
95.08067	4.4
95.08611	47.9
97.02907	25.2
97.06534	4.9
97.10185	13.4
99.04456	2.9
99.08096	26.0
105.07035	5.7
107.08607	23.9
109.02874	8.7
109.10172	15.2
111.08104	4.6
111.11691	4.4
113.09640	8.4
121.10154	41.4
123.11711	8.9
125.09647	8.3
127.03912	20.7
135.11708	18.8
137.05995	4.7
137.13261	22.0
139.11185	9.7
145.04962	15.8
149.13271	8.0
151.03900	10.7
151.14833	6.5
153.12767	13.2
162.64507	2.2
165.90353	2.2
173.74582	2.4
177.09218	3.4
177.16397	100.0
195.17482	49.1
205.08655	5.5
213.18504	54.5
243.36024	2.2
246.11623	2.4
246.37991	2.3
252.70062	2.2
375.23517	3.5
389.04968	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	375.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77402	6.1
55.01876	7.3
67.05503	12.0
69.03419	7.8
69.07056	6.8
71.49297	8.9
79.05483	12.6
81.03417	13.8
81.07052	19.8
85.02903	12.5
91.05487	15.3
93.07063	20.6
94.04156	6.5
95.04996	8.4
95.08611	18.5
99.08087	9.4
105.07050	13.6
107.04929	9.2
107.08600	23.9
109.06578	6.6
109.10184	12.3
115.05482	10.0
119.08656	6.7
121.06477	7.2
121.10146	33.1
123.04441	6.9
124.15090	5.1
127.03879	7.6
129.07019	12.7
131.04964	12.8
133.06470	6.2
135.11708	6.9
137.05980	69.4
137.13245	5.9
144.05658	5.4
145.06456	6.6
147.04420	8.1
151.03929	100.0
151.05026	11.5
151.07518	11.3
153.05492	12.7
157.06519	8.7
161.06046	13.5
165.05522	7.3
167.07068	51.6
175.07538	6.2
177.09134	48.1
177.16402	44.3
181.04947	7.7
185.09758	6.1
189.09122	12.0
193.08600	16.0
195.17705	7.3
203.07057	31.1
205.08543	10.4
213.14423	5.4
213.18518	23.9
219.08287	6.2
220.16414	5.6
221.08113	9.8
233.08205	9.6
297.10818	6.9
311.09369	7.4
325.10776	13.1
327.12137	7.8
339.12195	7.9
357.13397	37.5
362.27609	6.0
375.05627	6.8
375.14301	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44484	1.3
55.01857	1.6
60.85284	1.3
63.99245	1.2
69.03428	1.5
69.59032	9.3
79.05517	3.3
84.90243	1.3
91.05508	3.7
93.07065	3.0
95.04958	1.5
95.08623	2.2
105.07040	11.5
107.04963	2.2
115.05473	1.8
117.07061	3.5
119.04913	2.5
121.06495	2.2
123.08076	2.8
131.04904	2.1
133.06519	8.9
137.06017	4.1
143.08566	1.9
151.03894	2.4
151.07541	11.2
161.06029	8.2
162.06781	2.8
167.07074	16.5
175.07599	3.5
177.09135	100.0
180.09489	1.3
193.08643	38.2
195.10217	6.1
221.11749	5.7
302.65353	1.4
360.23145	1.4
375.11917	2.5
375.19885	12.1
386.67499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62961	2.2
53.03934	3.9
54.18182	2.2
55.01870	9.2
55.05513	14.3
57.01567	1.9
57.03428	7.5
61.02908	4.9
61.69387	2.4
67.05505	19.9
69.03435	88.6
69.07079	4.8
69.45534	13.6
71.01365	3.0
71.04980	6.1
73.02902	6.4
79.05502	12.8
81.03421	25.9
81.07063	20.4
83.04985	14.5
85.02898	11.9
85.06551	25.9
87.00822	6.9
91.05472	10.8
93.07074	12.3
95.04984	17.5
95.08601	14.5
97.02902	28.9
97.06525	5.8
98.20801	5.1
99.04456	8.5
105.07044	11.3
107.04961	4.6
107.08601	12.0
109.02895	3.8
109.06505	13.5
109.10163	31.9
111.04469	4.8
111.08099	4.9
113.06053	2.1
113.09631	6.2
115.03963	3.5
117.05495	3.7
117.07018	5.4
119.08602	7.1
121.06516	6.8
121.10159	3.9
123.04440	37.5
123.08110	2.3
123.11713	7.9
125.09641	100.0
129.01891	4.5
131.08545	3.6
133.06459	3.2
133.10127	4.2
135.08028	9.6
135.11729	2.1
137.04956	4.0
137.05966	24.7
137.09639	7.5
139.11162	3.5
141.05461	7.0
145.10185	4.9
147.08073	3.8
147.11697	2.9
149.06023	5.6
149.09650	6.9
151.03964	2.9
151.07565	6.8
151.11206	4.8
155.10721	2.9
159.08031	6.6
161.05974	7.4
161.09590	2.4
163.11111	3.9
167.07059	10.6
167.10699	2.4
175.11153	6.5
177.09113	3.1
179.07106	3.4
181.05051	2.6
181.12311	3.2
189.12646	3.4
193.12213	21.4
199.11127	3.3
207.13588	2.3
211.13289	36.7
217.12234	7.5
222.51236	2.5
235.13263	10.6
253.14375	2.9
279.64355	2.8
339.14377	5.2
357.15454	7.3
375.12564	4.4
375.16931	4.8
398.91858	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85537	0.9
55.05517	1.6
65.37026	1.0
67.05519	1.3
69.20388	9.7
71.04996	1.0
79.05482	3.3
81.07059	2.3
91.05513	6.4
93.07059	2.8
94.20245	1.0
95.08622	1.6
103.05519	1.3
105.07043	13.3
107.04993	1.8
107.08591	1.3
115.05428	2.4
117.07028	3.9
119.04952	2.5
121.06518	2.8
121.84114	1.0
123.04420	1.7
123.08084	1.9
131.04961	1.6
133.06483	9.5
135.08051	2.6
137.06027	7.6
137.46985	1.0
145.06444	1.7
151.03937	15.9
151.05034	1.4
151.07526	9.9
160.05196	1.6
161.05997	8.7
162.06772	3.7
163.07584	1.4
167.07072	16.4
171.08078	1.4
175.07590	3.1
177.09122	100.0
178.09523	1.8
193.08618	39.0
195.08585	1.1
195.10150	5.9
203.07059	2.9
203.10660	2.4
205.08569	1.2
221.11754	4.5
229.08611	1.5
260.89297	1.0
313.10825	1.5
327.12204	2.2
375.14362	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.3
55.05520	13.9
57.03429	4.0
57.07061	1.9
61.02921	2.7
65.03941	2.2
67.05509	18.8
68.46500	1.8
68.99798	3.8
69.03436	65.3
69.07041	3.1
69.88726	3.2
69.89129	6.7
71.01346	2.7
71.04996	3.0
73.02910	2.6
78.80408	1.5
79.05509	10.4
81.03427	20.6
81.07056	15.0
83.04990	18.3
85.02919	10.6
85.06548	29.1
86.09698	9.6
87.00829	6.1
87.10043	3.8
91.05482	9.6
93.07053	11.2
93.95144	1.7
95.04976	13.2
95.08612	14.4
97.02314	2.0
97.02900	24.9
97.06537	5.2
99.04438	4.6
99.08076	2.7
103.05439	2.3
105.01891	2.3
105.07037	15.5
106.50084	1.9
107.04953	4.8
107.08613	11.0
109.02899	4.4
109.06528	13.2
109.10160	29.7
111.04444	4.2
111.08114	3.2
113.05995	2.8
113.09636	4.7
115.03926	2.1
115.21907	1.8
117.07055	3.3
119.04932	3.2
119.08577	5.3
121.06516	5.8
121.10172	2.7
123.04429	32.6
123.08063	4.9
123.11719	4.7
125.06026	1.8
125.09640	100.0
127.03948	1.9
128.79210	1.7
129.01840	1.9
129.07019	2.8
131.04974	1.8
131.08583	4.0
133.06467	2.8
133.10107	4.2
135.08067	11.7
135.11665	2.6
137.05991	16.1
137.09618	4.6
139.11157	1.9
141.05469	6.8
145.10091	3.4
147.04462	2.4
147.08076	3.6
147.11670	3.8
149.05988	2.3
149.09653	5.3
151.04013	9.5
151.04968	2.5
151.07576	5.5
151.11168	2.4
152.04248	2.5
153.09169	2.8
155.10670	3.1
157.10139	2.9
159.02907	2.4
159.08109	4.7
161.09578	3.1
163.11185	2.0
165.05528	2.4
167.07045	3.9
171.11696	2.6
175.07602	3.5
175.11163	9.6
177.09116	4.2
179.07108	3.9
181.04964	2.1
181.12134	1.8
185.11766	3.1
193.12267	15.7
203.07016	2.2
211.13304	30.4
217.12331	11.1
235.13333	12.8
244.13809	3.2
253.14308	4.3
280.49854	2.0
321.13416	3.5
339.14410	4.3
341.88800	2.1
345.13177	3.2
357.15588	8.4
375.12637	2.6
375.16461	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	375.144
Annotation	Vladinol D
Peak:m/z	Relative Intensity
52.03166	1.0
53.03946	1.8
55.01891	1.8
62.02675	0.8
65.03942	2.5
67.05505	3.3
69.36248	7.3
69.36575	1.5
79.05514	1.3
81.03423	9.4
85.02898	0.9
91.05495	2.4
93.03428	2.3
94.04214	1.5
95.04997	1.3
107.04970	2.4
108.02116	4.0
115.05479	3.1
122.03671	3.5
125.06023	1.2
128.06264	2.9
129.06995	8.5
131.04922	1.7
135.04509	1.0
137.05984	49.1
138.37437	0.9
141.05473	2.2
143.04932	2.9
145.06564	1.4
147.04434	1.0
147.08089	1.9
151.03918	100.0
151.05034	10.8
153.05521	3.1
157.06512	8.1
160.05208	2.4
161.06032	2.8
165.05510	2.3
167.07095	1.5
171.04442	4.0
175.07613	4.6
181.04974	4.8
182.22893	0.8
187.07564	1.6
187.20682	0.9
188.04787	1.0
189.09105	9.4
191.07037	8.2
203.07045	25.1
205.08617	7.0
215.06996	1.3
219.08026	1.6
221.07999	6.4
233.08102	3.9
235.07468	1.0
243.06668	1.3
247.07663	1.9
255.07594	1.1
264.08115	1.3
265.08691	1.1
267.10138	1.0
271.05869	1.0
279.10208	2.1
286.08401	3.2
295.09750	1.8
307.09659	3.4
307.25543	0.8
309.11227	1.3
311.12756	2.1
321.11417	4.2
324.09821	1.1
327.12210	9.9
339.12308	6.5
344.21860	0.9
345.13251	1.1
350.78510	0.9
357.13406	6.9
375.14423	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	375.1441
Annotation	2'-Hydroxy-3,4,4',5,6'-pentamethoxychalcone
Peak:m/z	Relative Intensity
51.02365	1.1
53.03934	2.3
55.01860	2.0
55.05512	0.9
63.61307	0.6
65.03923	1.2
65.04435	0.7
67.05500	1.5
68.02646	1.0
69.03446	1.0
69.07067	1.0
69.54165	1.9
69.54570	2.6
76.93385	0.9
77.03925	0.9
78.04709	2.1
79.05078	0.8
79.05500	8.1
81.03408	1.7
81.07037	3.4
82.07405	0.7
83.04983	1.2
91.05498	5.5
92.06252	1.9
93.03384	1.0
93.07042	2.4
95.04952	1.9
95.08591	1.5
96.02135	4.6
97.02917	0.9
97.06491	1.3
103.05473	18.2
105.03429	1.0
105.07040	7.4
106.04175	1.8
107.01337	4.4
107.04961	13.7
107.08595	2.8
109.02889	1.7
109.06530	1.3
109.10150	0.9
111.04449	24.1
115.05450	2.4
117.07027	2.4
119.04935	1.6
119.08571	2.7
120.05704	1.5
121.06525	1.9
121.10126	1.8
122.03625	0.8
122.09676	1.0
123.04440	6.3
123.08088	0.9
124.05201	4.4
125.05986	2.8
127.03940	0.8
128.06242	0.8
131.04944	12.2
131.08549	2.2
133.02859	0.7
133.06483	3.2
133.10146	1.9
134.03644	0.8
135.04419	1.8
135.08041	1.3
137.06023	6.3
137.09624	1.1
139.03917	21.9
139.07590	0.7
140.60303	0.8
145.06470	2.4
145.10103	1.5
147.04369	0.8
147.08057	1.7
147.11664	1.0
148.05139	0.7
149.06000	3.9
149.09633	0.9
151.03905	3.3
151.07516	1.3
152.04683	2.9
153.05492	1.1
155.08565	0.8
155.99019	0.8
157.10141	1.5
158.84659	0.7
159.04443	10.0
159.11726	1.1
161.06020	3.3
163.03896	1.5
163.07559	9.6
165.05505	1.4
167.07050	100.0
168.07355	1.7
171.11685	1.2
173.06021	2.1
173.13293	1.0
175.07550	2.3
176.04709	1.7
177.05521	1.3
178.07877	0.7
179.07085	1.6
181.04955	9.3
181.06387	1.2
183.06578	2.3
183.11752	0.8
187.14902	0.9
189.05449	1.1
191.07057	2.6
192.07922	0.8
193.08606	4.2
195.08029	0.9
201.05508	1.1
202.06255	0.9
203.07027	0.9
203.14227	1.0
203.67343	0.6
205.08577	1.8
219.08125	0.8
219.10030	1.3
233.08124	1.3
235.09723	1.0
243.10190	0.7
251.06947	0.9
253.19693	0.8
285.11343	0.8
297.11157	1.0
313.10794	1.1
325.10504	0.9
329.13870	1.4
339.23358	1.6
345.13251	6.0
357.13409	1.8
375.14426	70.7
375.25162	6.2
376.14844	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1439
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03940	1.0
55.01869	1.3
61.91565	0.5
65.03941	1.8
67.05504	1.9
69.03462	0.6
69.43547	0.8
69.43958	3.1
79.05494	1.1
81.03423	7.6
81.07048	0.7
91.05477	1.4
93.03416	1.4
94.04180	0.9
95.04964	1.3
103.05492	0.7
107.04971	1.5
108.02118	3.2
109.06524	1.8
111.04455	1.0
115.05457	2.4
117.07035	1.3
122.03660	3.1
125.06021	1.6
128.06247	3.1
129.07019	7.6
131.04927	1.1
137.05983	46.8
141.05428	2.6
143.04936	4.4
145.06499	1.0
145.49037	0.5
146.03586	0.5
147.08081	1.3
151.03918	100.0
151.05022	9.4
153.05469	2.8
157.06516	8.2
160.05222	2.1
161.05997	2.3
161.09528	0.6
163.07613	0.8
165.05482	1.5
167.07057	1.3
171.04425	3.4
173.05994	0.6
174.06772	0.8
175.07565	4.6
176.04706	1.2
177.09119	1.4
181.05000	2.1
187.07564	1.7
188.04733	1.3
189.09108	8.5
191.07056	6.2
191.08662	0.9
203.07040	24.7
204.07442	0.5
205.08560	3.6
207.08055	0.7
215.07063	1.4
219.08043	1.5
221.08086	6.2
233.08119	4.3
234.06700	0.8
235.07625	0.7
236.08380	0.9
243.06476	1.5
246.06685	0.6
247.07542	0.9
261.09177	1.1
262.06183	0.7
271.06039	0.7
275.06943	0.9
277.08627	0.9
279.10199	2.1
286.08401	2.2
289.08557	1.4
293.08133	0.6
295.09760	1.3
301.11646	0.7
307.09610	4.3
308.10358	0.6
309.11096	0.7
311.12869	1.6
312.09940	0.9
312.70963	0.5
321.11154	4.1
327.12323	8.0
339.12216	5.5
345.13226	1.0
357.13324	6.4
375.14700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
54.80593	0.7
55.01873	0.9
56.96549	0.9
69.03441	3.5
70.06590	0.6
71.04984	0.9
71.49141	0.7
71.49522	0.9
72.08152	2.5
79.05479	1.0
81.03422	4.3
83.04974	0.7
84.08192	0.6
85.02911	4.4
85.73872	0.6
86.09708	2.5
87.00826	1.8
89.03925	1.2
89.84755	0.7
91.05484	0.7
93.95040	0.6
94.09642	0.6
97.02911	1.7
99.04484	1.0
103.05477	0.7
105.01890	1.7
106.02969	0.8
107.04958	0.9
109.02891	3.6
116.95819	0.7
117.03461	0.6
123.04446	1.1
127.03925	100.0
129.01822	0.8
135.04407	1.9
137.05995	1.9
143.00224	0.7
145.02841	1.2
145.04977	1.2
147.04361	1.1
149.06000	0.7
159.02925	2.0
163.03946	5.0
164.04312	1.2
167.07137	0.7
167.09053	0.6
179.00542	0.7
190.07376	0.5
194.08165	0.7
195.08472	1.4
213.11407	0.9
222.07649	1.8
223.07977	3.1
255.01965	0.7
269.09198	0.7
375.12628	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46160	0.8
69.23013	9.1
70.22340	0.9
79.05508	1.4
81.09425	0.8
91.05476	1.8
103.05480	1.3
105.03214	0.8
107.04944	1.1
125.06010	1.2
127.03967	1.4
133.06470	1.1
137.06003	10.4
149.06053	1.4
151.03931	2.0
153.05399	0.9
156.84492	0.9
167.07079	3.1
181.04947	3.8
185.04309	1.5
191.07118	1.0
197.12793	0.9
203.07161	1.0
213.07355	100.0
363.13345	0.9
375.12576	20.2
375.16852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.3
56.96566	27.9
57.03420	8.6
58.99857	8.1
61.02922	4.7
69.03416	11.2
70.98112	6.4
70.99854	13.3
71.48611	5.9
73.01419	6.0
73.02906	14.0
81.03406	7.0
82.99828	15.4
84.96037	8.7
85.01439	4.1
85.02890	23.6
86.09710	4.9
86.99328	6.2
89.00887	6.3
97.01369	7.8
97.02876	14.4
98.97584	54.8
101.00885	96.5
103.02457	3.9
104.36378	3.4
108.08047	3.3
109.02849	4.4
110.01269	5.4
110.97585	23.8
112.99133	4.7
113.00861	29.0
113.03468	4.3
115.02441	38.9
116.98611	13.3
117.03978	3.9
119.01921	100.0
126.98763	32.3
127.02407	5.6
127.03922	10.9
128.98593	13.0
129.03976	8.6
130.93300	20.0
131.00253	4.9
131.01912	47.4
133.03481	59.7
133.04993	3.6
137.02960	4.6
141.00340	6.2
142.88229	3.2
143.00160	4.3
143.01910	27.1
144.99841	42.8
145.03461	20.3
146.99651	3.5
147.01405	6.0
147.05028	8.0
149.02936	13.8
151.04488	4.4
152.07042	4.5
154.93263	10.8
154.98293	5.3
155.01917	8.3
156.96651	7.9
156.99815	4.5
157.03474	7.7
158.99626	7.1
159.01408	19.7
161.02962	30.8
163.04558	3.8
168.98329	5.1
168.99825	60.7
169.03307	2.9
170.99992	3.2
171.01344	19.1
172.94243	17.9
172.99347	24.7
173.01492	6.1
173.02965	28.2
174.96045	3.7
174.97617	10.4
175.00858	15.4
175.04562	8.1
177.00795	9.3
177.02452	30.1
182.03314	3.5
185.02986	11.2
186.99341	3.6
187.00896	63.6
187.04703	5.6
189.02422	20.2
189.49640	3.4
190.95427	13.6
191.00357	8.7
191.04016	21.7
193.02121	3.8
195.03499	5.2
196.99297	20.7
198.97740	17.8
199.00865	27.7
200.04286	4.2
201.00732	8.1
201.02481	22.7
203.00415	4.3
203.04068	10.2
204.96942	6.6
205.01994	22.6
205.03639	4.1
210.97676	12.8
211.00974	6.0
212.98846	5.1
213.00771	3.8
214.95499	10.0
215.00410	70.3
215.03798	3.6
216.98701	51.0
217.01935	33.5
219.01810	11.6
219.03647	26.0
221.01868	3.8
221.05057	8.9
223.01126	4.2
223.03038	5.7
224.98991	8.7
227.00395	14.7
228.98688	20.1
229.01979	32.2
231.00060	6.8
231.03574	6.8
232.96532	10.0
233.01613	4.4
234.99731	13.5
236.99483	3.9
237.02826	7.6
239.00410	5.4
240.98532	4.9
243.00003	26.5
245.01631	19.6
245.05086	15.2
247.02991	71.9
248.99190	7.2
252.98668	14.2
254.99831	19.3
257.01672	12.1
258.99734	10.8
259.03012	13.3
259.06549	4.1
260.95825	4.0
263.06110	4.3
265.04117	21.2
270.99857	29.3
271.02704	6.2
272.06583	13.4
273.00928	23.5
275.02570	10.1
277.04120	4.4
279.08997	5.5
281.01758	4.1
282.99661	11.7
285.00922	5.6
286.97491	5.0
287.02423	9.4
289.00873	6.4
289.04080	5.9
301.00589	32.1
303.01956	6.5
305.03476	10.5
305.06815	3.8
315.01889	71.4
318.96429	7.3
319.01877	22.9
333.03104	34.6
343.01489	37.2
351.04657	15.4
361.02536	23.8
375.03531	16.8
375.11237	4.7
393.05426	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	373.2739
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
51.92957	2.2
53.03942	3.6
55.05499	9.3
57.07057	3.5
67.05507	20.1
69.07081	11.8
71.50423	2.7
71.50821	3.6
76.21854	2.3
79.05136	2.9
79.05497	27.1
81.07056	35.6
81.29602	2.2
83.04962	3.3
83.08594	7.8
85.06541	2.5
85.26282	2.3
91.05493	26.2
92.39834	2.5
93.07047	41.3
95.04967	3.7
95.08610	32.6
97.06523	4.5
99.08063	3.1
105.04565	3.1
105.07030	36.3
107.04927	6.4
107.08600	44.4
109.06503	6.7
109.10165	34.0
111.08041	5.5
115.60474	2.6
117.07034	8.5
119.08588	71.4
121.06461	4.6
121.10142	40.2
123.08076	3.5
123.11686	8.6
125.09598	4.3
128.06171	4.4
129.06955	3.2
131.08577	20.0
133.10139	43.1
135.08061	31.0
135.11714	22.5
137.09615	44.5
137.13277	3.9
143.08554	8.2
145.10138	25.1
147.08119	4.0
147.11696	18.8
149.09631	16.8
149.13248	7.8
151.11143	5.7
155.08490	3.9
157.10104	11.9
159.11697	18.9
161.09613	3.1
161.13228	7.2
163.11179	9.8
163.14803	3.3
169.10075	5.1
171.11623	10.0
173.13278	8.7
175.11208	3.7
175.14807	7.0
177.12776	4.3
177.16391	11.6
183.11700	7.0
185.13268	14.3
187.14804	16.1
189.12718	5.1
189.16376	7.2
191.18025	4.5
197.13248	7.0
199.14833	10.4
201.16431	19.9
203.14334	3.0
205.15895	46.2
211.14760	3.7
213.16341	8.4
215.14383	4.2
215.17957	3.4
217.15868	3.7
219.17494	8.5
225.16467	4.9
239.17958	5.0
243.17429	3.9
253.16011	3.1
283.50012	2.7
309.25827	3.7
312.04581	2.9
319.24252	7.2
327.27005	3.5
337.25317	24.8
355.26331	29.7
356.26599	3.2
373.22971	5.9
373.27429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01873	8.1
55.05498	3.3
57.03442	2.2
65.03944	6.8
66.85759	1.2
67.05504	11.6
69.03423	6.0
69.07049	3.7
70.06584	1.3
70.93668	1.3
70.94004	1.4
71.04987	2.7
77.93752	1.1
79.05505	6.1
79.91267	1.1
81.03381	3.7
81.07041	5.2
83.04993	10.6
84.04485	2.0
85.02914	8.7
85.06535	1.2
86.09695	11.6
89.03902	1.9
90.13905	1.3
91.05444	5.8
93.03403	6.3
93.07042	5.8
94.04201	2.2
95.04399	1.4
95.04971	19.3
95.08585	5.3
97.02863	3.6
97.06512	3.6
99.08082	4.2
103.05445	7.0
104.06231	1.2
104.37613	1.3
105.07030	4.6
107.04958	13.6
107.08577	4.9
108.02039	3.5
108.04469	1.8
109.06532	5.5
109.10156	30.9
110.03688	1.7
111.04410	4.7
111.08056	1.4
115.05427	3.8
117.03372	7.3
117.07028	1.5
119.04931	4.4
119.08553	3.4
120.20706	1.2
121.02856	3.7
121.06473	2.4
121.10120	3.4
122.03639	5.2
123.04443	1.8
123.08047	1.4
123.11718	2.7
124.05165	1.4
125.05991	10.3
125.09591	1.7
125.49641	1.3
127.03890	2.5
131.04912	11.4
131.08537	2.4
132.05670	4.4
132.10190	2.5
133.06473	2.6
133.10063	5.6
135.04387	1.4
135.08049	4.4
135.11684	3.3
137.05983	82.6
137.09610	25.1
138.06410	1.2
141.05475	2.3
141.06895	1.3
143.04900	1.7
145.02861	17.9
145.06468	2.0
146.05977	1.7
147.04372	4.0
149.05975	4.5
149.13293	2.4
151.03915	100.0
151.05032	11.0
151.07463	2.3
153.05458	11.1
155.10664	4.0
159.04408	1.5
160.05186	2.3
161.05974	4.7
161.09642	2.2
163.07539	13.6
165.06978	1.9
167.07024	11.3
168.06578	1.8
175.07550	10.9
175.11171	1.4
175.14764	1.6
176.04657	1.2
177.05478	32.1
177.09096	4.1
179.07031	2.9
181.08684	2.4
191.07033	9.8
191.10834	1.6
192.07784	2.4
193.04910	2.1
193.08650	3.1
193.15895	34.1
193.17667	1.9
201.05455	4.6
205.08673	1.2
206.08296	1.5
211.08679	4.1
211.16943	9.4
212.06934	1.2
212.09406	1.7
219.06514	14.1
219.10123	2.2
219.13817	1.7
221.08084	4.2
222.09198	2.1
224.10863	1.9
225.10307	5.5
235.07632	1.5
237.09120	1.2
239.11818	7.1
242.14978	1.6
243.13326	1.3
250.08746	1.6
253.09586	4.6
264.07770	1.5
265.08539	3.5
267.11368	6.6
277.08597	1.9
281.08234	1.7
293.08017	2.6
295.10434	5.4
297.11224	1.9
309.11081	1.9
313.11826	21.6
314.12009	1.8
319.19189	1.7
325.10608	3.3
327.12338	4.0
329.13678	4.0
337.20056	1.9
341.14322	12.2
343.11792	13.9
350.66818	1.1
355.11954	1.3
373.13245	91.9
374.13644	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.5
65.71880	9.5
67.05514	29.5
69.03410	11.2
69.07056	16.9
69.41253	45.5
69.41677	31.6
79.05479	13.8
81.03385	9.6
81.07041	14.8
83.04974	13.9
91.05510	10.7
93.07054	17.5
95.08604	37.2
99.08112	16.1
103.05461	13.1
107.04970	20.5
107.08591	27.5
109.06538	16.9
109.10165	86.5
110.35217	8.6
111.08075	9.7
111.54576	8.2
119.08572	33.3
121.10120	14.7
123.08049	13.9
131.04942	16.3
133.10103	18.8
135.08105	11.4
135.11714	100.0
137.05991	42.8
137.09636	15.3
151.03873	29.6
161.05954	14.3
163.07549	25.1
167.07036	32.0
173.04700	10.8
175.07596	23.3
175.14841	35.8
177.05553	10.0
191.07007	18.8
191.38525	9.3
193.08591	18.2
193.15863	62.2
211.16959	60.1
263.10468	9.9
280.10803	9.1
325.46411	9.8
327.12216	11.4
328.02664	8.5
329.13672	14.9
341.13824	45.2
354.32162	8.2
354.94104	8.4
373.13080	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17481	7.5
55.05506	16.3
61.02931	7.7
67.05499	23.0
68.10396	8.1
69.03429	11.1
69.40889	51.8
78.22009	6.7
79.05505	17.0
81.03421	8.4
81.07069	31.0
82.03217	6.8
83.04990	13.9
83.08656	10.5
85.02898	20.5
85.28650	7.7
91.05485	23.5
92.76555	6.8
93.07047	17.8
95.04956	11.0
95.08622	49.9
97.06508	8.7
97.10226	10.4
99.08100	34.6
103.05499	16.5
105.07034	28.7
107.04988	16.4
107.08597	29.7
109.06496	8.9
109.10159	100.0
111.04443	10.8
117.03454	7.8
117.07021	7.7
119.08578	41.9
121.06508	12.3
121.10153	22.1
123.04447	14.4
123.08086	16.8
123.11698	9.9
126.71793	6.5
131.04926	21.2
132.05721	9.5
133.06558	10.1
133.10152	19.8
135.11703	81.2
136.05243	8.7
137.06017	54.4
137.09634	18.1
149.05957	12.4
149.13303	9.5
151.03932	22.4
151.07616	10.0
151.14851	11.3
152.08330	21.0
155.10718	11.6
161.06079	12.0
163.07576	29.6
165.09140	9.7
167.07080	31.1
168.07463	8.2
174.50282	7.3
175.07570	33.1
175.14832	32.4
177.05479	19.7
181.08569	9.5
191.07079	15.4
193.08659	25.4
193.15913	61.5
201.53822	6.2
211.09680	14.8
211.16968	77.9
309.11279	8.0
323.12369	9.1
325.10522	8.7
327.12253	16.8
329.13861	15.4
341.13950	64.8
342.14243	10.9
355.15598	9.8
364.71817	11.6
373.09064	10.7
373.12683	14.1
373.16473	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.9
55.01865	5.2
55.05503	13.2
57.03436	5.7
61.50431	2.1
62.04863	2.4
67.05513	25.2
67.29404	2.2
69.03429	31.9
69.07079	15.4
69.43532	20.4
71.04988	7.0
79.05494	18.2
81.03423	47.0
81.07060	85.3
81.49055	2.4
83.04965	4.7
83.08609	11.4
85.02903	11.3
85.06532	8.7
91.05473	32.3
93.07034	12.7
95.04955	3.6
95.08599	15.5
97.02891	14.2
97.06506	4.6
97.32693	2.4
98.97578	9.2
99.04449	10.1
99.08062	3.6
105.07036	49.5
107.08607	16.8
109.02871	23.6
109.06516	5.7
109.10139	5.3
113.06011	3.7
113.71637	2.3
117.07029	3.2
119.08585	36.5
121.10149	28.5
122.03632	3.2
123.08015	3.9
123.11710	38.3
127.03921	24.2
127.07590	4.4
129.07004	3.0
131.04929	6.0
133.10098	6.1
137.05997	15.2
137.13254	3.4
141.09129	2.6
145.06512	3.7
147.11694	100.0
151.03902	12.4
158.99606	3.1
161.06004	3.1
163.07545	5.8
165.12767	59.8
167.07054	11.4
175.07527	4.7
175.11171	3.4
177.05339	4.4
181.04948	3.5
183.13852	13.1
191.07042	7.3
191.08554	3.4
193.08517	3.2
193.12254	9.4
207.07974	3.6
211.07626	2.9
225.09146	4.1
229.14311	16.2
235.07593	5.9
237.09058	3.9
239.06978	3.0
251.07103	5.2
252.07858	4.0
253.08659	4.6
262.10010	3.1
263.10614	2.8
265.08612	8.8
266.09402	3.0
271.09717	2.7
277.08682	2.6
281.11719	5.5
293.08289	2.5
295.09781	4.2
299.09128	3.2
309.11203	14.3
323.12866	4.4
327.12338	5.2
329.13623	3.5
337.16431	4.5
341.13959	16.8
355.08044	3.2
355.17661	7.4
373.09009	3.9
373.12628	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	373.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01861	5.4
55.05516	13.6
57.03431	5.0
58.58305	2.2
67.05511	25.9
69.03432	24.6
69.07061	14.5
71.04994	7.8
71.50075	3.5
79.05505	18.6
81.03426	36.5
81.06599	4.8
81.07060	86.5
83.04970	7.2
83.08608	7.9
85.02891	12.1
85.06534	6.5
91.05482	30.3
93.07049	16.9
95.04950	4.1
95.08610	19.6
97.02885	25.9
97.06532	10.8
98.97590	5.4
99.04453	9.1
99.08124	3.9
103.05476	5.6
105.07034	48.8
107.04952	4.5
107.08597	18.0
108.19068	2.6
109.02885	33.4
109.06535	5.6
111.04452	2.4
111.08090	2.7
115.05424	2.5
119.04956	3.1
119.07790	4.5
119.08582	36.3
121.10146	25.8
123.04469	2.4
123.08057	4.9
123.11707	34.9
127.03925	23.0
127.07552	2.4
129.06987	3.7
131.04926	6.2
131.08565	3.0
133.10120	7.4
135.08028	3.2
135.11739	2.6
137.05978	9.8
143.08566	3.7
145.05037	2.3
145.10083	3.4
147.04411	4.9
147.11690	100.0
151.03938	14.0
151.04967	3.4
153.01851	3.3
157.10115	5.0
158.99657	2.3
160.83316	2.4
161.06018	3.2
163.07552	4.0
165.12755	58.7
167.07060	27.3
175.07590	6.1
175.11087	5.4
181.05060	3.9
183.13814	9.1
191.07150	3.6
193.12254	7.6
193.90073	2.5
195.22073	2.1
207.06583	6.9
211.13388	2.6
219.06500	2.5
229.14359	19.0
267.11304	4.8
313.11734	6.3
337.16345	4.3
341.13849	3.4
355.17624	7.3
373.13223	17.4
374.13382	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1835
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
54.02907	0.6
54.93739	0.6
58.05190	0.7
58.96900	0.7
65.03930	0.7
70.06606	0.6
71.15806	1.1
104.38851	0.7
104.39640	0.6
107.04962	1.0
137.05078	0.8
137.05949	4.4
149.60484	0.6
151.03944	5.1
163.07565	0.9
166.85918	0.7
177.05446	1.6
193.12050	4.3
195.10094	0.9
195.13612	2.4
201.03700	3.9
203.05276	11.0
219.06425	0.7
238.45592	0.7
249.06390	0.6
373.18356	100.0
374.18814	1.2
391.52734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01865	1.8
56.05025	0.4
65.03936	1.2
67.05507	1.1
69.03442	0.9
71.04963	0.7
71.49042	0.9
72.14790	0.6
79.05485	1.1
81.03401	0.6
81.07038	1.1
85.02892	1.4
86.09676	0.7
91.05467	1.4
93.03399	1.1
95.04952	1.1
97.02901	1.0
97.06528	1.7
99.08040	0.5
103.05428	0.8
104.21691	0.5
105.07043	0.8
107.04948	1.6
108.02108	0.4
111.04461	1.0
115.05489	0.8
117.03366	1.5
119.04927	1.1
119.08619	0.7
122.03661	1.1
123.04482	0.8
125.06001	1.5
125.09636	0.8
131.04962	1.1
133.06488	0.6
137.05989	11.9
143.04935	0.6
145.02882	2.7
147.04434	0.5
149.06024	0.8
151.03922	12.5
151.05005	1.1
153.05478	3.0
155.34523	0.5
159.04427	0.5
161.05945	1.6
163.07510	2.1
167.07002	1.3
175.07527	1.1
177.05466	5.6
179.07027	0.9
181.06461	0.5
189.05594	0.8
191.07011	1.1
201.05470	1.2
203.07031	0.6
219.06503	2.8
221.08153	0.7
222.06706	0.5
265.08670	0.7
313.11063	1.0
325.10818	1.0
329.15747	1.1
343.11707	1.7
373.13306	10.3
373.18329	100.0
374.18600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01873	2.4
55.05511	3.5
57.03432	2.4
59.19970	1.2
67.05502	7.5
69.03457	7.5
69.07062	4.5
70.26240	2.3
70.26635	3.2
71.04990	2.0
78.04714	1.9
79.05487	6.1
81.03425	10.9
81.07055	23.4
83.04976	1.7
83.08606	2.5
84.99171	1.2
85.02887	3.3
86.27363	1.3
91.05490	9.5
93.07071	6.7
95.04970	1.8
95.08614	5.6
97.02916	4.8
97.06509	2.7
98.97578	2.7
99.04459	2.4
103.05461	11.1
105.07033	16.4
106.04169	1.8
107.04962	3.5
107.08614	5.3
107.45825	1.4
109.02885	8.0
109.06526	1.6
109.10190	2.0
111.04443	2.0
115.05533	1.6
119.08578	12.8
121.06516	1.7
121.10132	7.3
123.04443	6.4
123.08091	1.9
123.11720	8.3
123.64236	1.4
124.79659	1.6
127.03918	5.4
131.04933	18.8
135.04466	1.8
135.08034	1.7
137.05997	5.7
137.09554	1.6
143.08565	2.0
145.06483	2.0
145.10147	1.7
147.04381	2.5
147.11697	27.0
149.05992	2.3
149.09708	1.8
151.03918	6.7
152.04706	2.4
153.01836	5.2
153.05507	1.9
157.10168	1.7
161.06029	2.7
163.07547	15.9
165.12761	16.3
167.07054	100.0
175.07535	4.8
177.00664	1.9
177.05409	3.0
181.08630	4.9
183.13927	3.3
191.07085	2.8
193.08650	6.0
211.09576	2.2
225.10318	1.8
229.14319	5.4
313.11996	2.8
317.82162	1.4
318.41876	1.5
327.12506	1.9
365.05185	1.6
373.13150	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	373.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
59.40361	0.8
60.55001	0.9
61.02930	0.9
67.05494	1.1
69.03429	1.3
69.07066	2.6
70.06611	4.6
71.49603	1.3
71.90765	1.0
73.02917	1.1
75.05486	1.0
79.05511	1.7
81.06998	1.6
85.02925	1.4
86.09727	9.8
91.05479	1.1
93.07021	1.5
95.05016	1.6
97.03005	0.9
100.15894	0.8
105.07015	1.6
107.04948	2.8
107.05696	1.0
115.05478	1.0
116.07087	4.3
119.04979	1.2
129.10233	1.1
131.04904	1.0
133.06526	1.2
135.08058	1.1
137.05994	5.8
145.02896	1.8
147.04390	1.8
151.03937	6.7
151.05064	1.5
153.05501	1.1
161.06046	2.7
161.72803	0.9
163.07582	2.2
167.07025	2.0
177.05490	3.5
187.07486	1.0
193.12038	2.1
195.11809	1.1
195.13585	18.5
201.03732	22.3
201.05487	1.5
203.05244	7.6
231.24344	1.0
235.07570	1.0
250.08636	1.3
313.11295	1.1
341.11182	2.8
342.12036	1.2
373.18359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71770	1.4
53.03950	1.8
53.85783	1.4
55.01875	1.8
56.75154	1.5
57.03869	1.9
62.43613	1.7
69.03440	2.2
69.35749	9.2
69.36166	2.3
70.06577	1.6
70.53613	1.5
73.04771	3.6
78.04704	2.8
79.05490	7.4
81.03422	6.3
83.57927	1.5
85.02913	1.8
86.65548	1.4
91.05431	3.4
91.05898	2.6
95.04953	2.3
97.02893	2.4
98.20779	3.3
103.05479	15.1
105.07047	5.1
107.04962	94.1
107.08569	1.8
115.05460	6.5
120.05751	6.0
122.03622	1.7
123.04455	4.3
124.05261	2.9
131.04939	6.7
133.06502	2.9
135.08054	27.5
137.05997	13.3
145.07605	4.0
147.04370	2.4
151.03923	6.1
153.01828	2.3
154.06227	2.1
163.07556	100.0
167.07042	55.2
169.03087	1.7
177.02576	1.8
180.07877	2.7
181.04967	2.3
195.10178	50.3
213.11192	3.2
228.89728	1.5
287.00873	3.2
357.06668	3.0
373.14508	2.6
373.18515	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95391	1.8
53.58181	2.0
70.80727	4.4
70.81063	2.7
79.05483	9.1
81.03425	4.9
81.07092	2.3
89.41917	2.0
91.05472	10.5
93.03397	2.6
95.04959	3.6
101.45403	2.1
103.05450	20.1
105.07026	9.0
107.04959	100.0
108.00047	2.1
111.04499	3.1
115.05457	10.2
116.06316	2.4
117.07005	3.0
120.05733	5.7
121.06595	2.5
122.03685	2.7
123.04427	5.5
125.05984	2.0
130.00090	2.2
131.04913	13.1
131.47482	2.3
133.06509	2.7
135.08055	33.1
137.05981	43.2
145.02879	5.1
145.07619	3.9
147.04411	2.3
149.05949	4.1
151.03925	28.2
151.05026	2.9
151.07550	3.2
152.08400	2.7
153.05426	2.8
161.06003	8.9
163.07549	98.9
167.07051	51.9
175.07544	7.0
177.05453	14.2
181.08624	5.1
181.73271	2.2
191.07028	3.3
193.08640	5.0
195.10179	46.5
219.06590	4.7
236.49608	2.0
265.08527	3.0
274.64700	2.7
309.11014	2.4
327.12241	3.6
329.13800	4.7
341.13974	11.5
343.11835	5.0
373.12708	18.4
373.17041	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.0
55.01884	3.0
55.05516	3.8
55.88989	1.9
60.46614	1.9
67.05515	2.9
69.07063	3.1
70.74917	4.1
70.75278	3.5
74.12609	1.9
76.86253	1.9
79.05484	10.0
81.03410	2.8
81.07073	4.6
87.07225	2.3
91.05482	11.2
93.07064	3.0
95.04979	4.3
97.06534	2.9
100.11269	6.8
103.05475	23.7
105.07056	10.4
107.04966	85.8
107.08635	2.0
108.04523	2.7
111.04459	2.6
113.75304	1.9
115.05437	5.9
117.07037	2.2
120.05780	3.5
121.06513	4.4
122.03652	3.7
123.04443	6.6
124.99980	2.7
131.04951	25.8
133.06516	5.4
135.08084	22.7
137.05992	43.1
137.06970	3.6
142.39075	2.0
145.07634	3.6
146.05995	2.2
147.04359	2.9
149.05966	4.1
151.03970	9.9
154.06290	4.7
161.06017	6.1
163.07571	100.0
167.07062	52.7
175.07520	3.5
176.14359	3.9
177.05507	3.7
181.08658	3.7
182.15492	6.3
189.05540	2.8
191.07054	3.1
193.08650	7.9
195.10191	39.9
202.15935	10.2
205.08597	3.0
210.14900	11.7
211.08691	3.1
213.11278	2.5
220.16997	22.2
223.09770	3.5
225.10271	5.6
228.15909	5.5
239.11867	7.0
253.09656	5.1
267.11307	11.3
295.10684	4.5
300.13333	2.5
313.11835	31.0
317.85141	2.4
323.12646	2.3
327.12238	3.8
337.21255	5.9
341.14017	4.6
343.11731	2.5
355.15765	2.5
355.22229	3.2
373.13785	62.5
374.17407	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1285
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
55.01878	29.3
56.98718	0.8
65.03946	2.8
66.74807	0.7
67.05522	2.4
69.03441	1.5
69.34969	6.1
79.05505	1.4
81.07059	2.2
82.44895	0.9
85.02903	0.9
89.68925	0.7
91.05488	2.5
93.03411	2.2
93.07041	1.1
94.04198	3.0
95.04984	1.6
95.08624	1.0
97.02837	0.7
98.21518	1.7
103.05468	14.3
104.27412	0.7
105.07048	2.3
107.04953	2.3
107.08562	1.1
108.02119	2.3
109.02905	1.2
109.06547	1.4
111.04477	2.4
115.05458	5.5
117.03387	1.2
117.07043	1.0
117.81631	0.7
119.04967	1.9
122.03657	7.5
123.04417	1.1
125.05994	2.2
131.04941	15.1
133.06506	3.0
137.05988	100.0
138.06323	0.8
143.04944	6.1
145.02850	2.4
147.04419	2.4
149.06007	2.5
151.03922	53.8
151.05029	4.9
153.05508	4.0
159.04434	5.1
160.05234	4.1
161.06001	9.5
163.07581	4.2
167.07077	1.7
173.09709	0.9
175.07561	23.4
176.04694	2.3
177.05479	8.1
179.07063	4.4
189.05510	2.3
191.07040	9.5
193.04984	2.4
193.08617	7.1
203.07031	6.2
219.06468	5.0
221.08104	25.5
259.09647	5.0
265.08618	1.8
271.99329	0.8
293.08130	2.1
297.11243	1.1
313.11676	1.3
343.11795	8.4
373.12878	35.6
374.13266	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1285
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
52.03177	0.6
53.03942	1.1
55.01639	0.5
55.01874	5.1
55.79707	0.5
57.03418	0.5
65.03946	5.9
67.05505	2.6
68.99779	2.0
69.45403	0.9
69.45812	2.5
77.03929	0.5
79.05522	0.7
81.03413	0.7
81.07034	0.6
85.02888	0.7
87.68826	0.5
89.03915	2.2
91.05472	1.3
93.03416	6.7
94.04190	1.5
95.04968	1.2
97.02912	0.9
97.06575	0.7
103.05479	2.9
105.04496	0.6
105.07104	1.2
107.04955	2.7
108.02084	2.9
110.03659	1.1
111.04460	4.7
115.05481	1.5
117.03385	7.4
117.07037	1.0
119.04971	2.5
122.03635	5.4
125.05999	9.0
131.04941	6.8
135.04350	0.7
137.05988	73.4
138.06297	0.8
141.05476	2.1
143.04964	1.1
145.02858	18.0
145.06389	0.5
147.04408	1.4
149.05981	3.3
151.03920	100.0
151.05038	10.8
152.04231	1.2
153.05478	9.5
159.04428	1.9
160.05196	1.1
161.06023	3.1
163.03940	0.8
163.07541	5.1
167.07076	1.8
175.07558	3.5
176.04715	1.4
177.05475	27.9
179.07083	2.1
191.07047	4.1
193.04982	1.0
193.08640	1.1
195.10109	1.3
201.05473	0.7
203.07051	1.1
205.08580	1.1
219.06532	13.9
221.08112	4.3
222.06783	0.7
237.09045	1.2
259.09692	1.5
265.08698	2.1
297.11325	1.7
313.11026	0.8
325.10748	0.5
327.12262	0.7
343.11789	12.7
355.11917	0.8
373.12906	54.7
373.18210	5.6
374.13223	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1285
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
53.03942	1.2
55.01878	5.7
65.03946	4.1
67.05501	1.8
67.75900	0.5
68.99784	1.9
69.03445	0.7
69.30104	4.0
76.60030	0.5
77.03922	0.9
79.05505	1.0
81.03448	0.5
81.07077	0.5
85.02901	0.5
86.09718	1.1
89.03922	1.9
90.92979	0.4
91.05477	1.7
92.54120	0.5
93.03410	7.7
94.04186	1.7
94.64265	0.5
95.04959	1.2
101.77456	0.6
103.05489	2.5
103.52993	0.4
105.04527	0.5
105.07039	0.8
107.04955	2.2
108.02130	3.7
109.06516	0.7
110.03665	1.8
111.04446	4.5
115.05466	1.6
117.03381	6.3
117.07034	0.8
119.04944	2.1
121.03979	0.5
121.65289	0.6
122.03645	5.2
125.06009	8.7
131.04924	6.5
132.05734	0.7
133.06496	1.0
135.08034	0.6
136.01566	0.6
137.05983	71.1
138.06313	0.6
141.05458	2.3
143.04921	0.9
145.02863	17.5
147.04454	2.3
149.06024	2.6
151.03918	100.0
151.05029	10.4
152.04330	0.9
153.05464	10.1
159.04395	1.6
160.05234	1.1
161.05965	4.1
163.07547	4.0
167.07040	1.6
171.04381	0.7
173.05952	0.5
175.07568	5.1
176.04710	1.0
177.05475	27.7
179.07011	2.4
191.07042	4.6
193.04956	1.3
193.08646	1.6
194.07234	0.6
201.05479	1.3
203.07018	0.7
205.08549	1.2
219.06531	13.7
219.08612	0.8
221.08104	3.6
233.66020	0.5
234.06729	0.5
237.09195	0.7
250.06215	0.5
259.09756	1.1
265.08630	2.1
277.08466	0.8
293.08096	0.9
295.09698	0.5
297.11151	1.7
313.11438	0.6
325.10565	1.0
327.12271	0.9
329.13766	0.7
341.13959	2.5
343.11774	11.2
373.12845	60.0
374.13211	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29097	1.0
55.01874	2.0
56.96551	3.4
57.03433	2.9
57.17209	1.2
61.02922	4.2
62.06078	1.3
69.03439	7.4
69.87903	5.7
73.02896	1.7
73.04742	5.1
75.44147	1.1
76.10995	1.3
81.03402	3.3
81.09701	1.0
84.08143	1.3
85.02912	20.2
85.03396	2.3
86.09682	1.2
89.03921	1.4
91.05843	6.0
92.05703	1.6
97.02922	7.1
98.97592	5.0
103.05502	3.0
105.07028	4.8
107.04958	2.2
109.02886	2.3
112.71799	1.1
116.98643	1.8
117.07021	2.5
118.06525	2.3
119.07299	2.6
120.08106	5.1
127.03910	4.0
128.98592	2.2
129.05510	1.7
129.06995	4.5
131.04933	3.5
136.06181	8.5
145.04936	3.8
146.09634	5.7
147.06506	1.8
153.01831	1.4
159.56581	1.2
163.03926	3.9
164.10732	100.0
192.10249	1.5
210.11267	88.0
219.01534	1.4
236.57600	1.1
237.02815	2.7
263.07486	1.4
286.01001	2.7
308.83829	1.3
356.06973	2.6
372.12393	3.8
372.16574	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	372.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69614	4.5
67.05491	5.4
69.45185	22.2
69.45613	13.7
79.05499	15.5
80.29282	4.3
81.03451	5.6
81.07061	10.1
84.81049	5.5
86.40195	4.2
91.05470	8.5
98.97633	8.1
103.05504	5.5
105.07025	6.1
107.04953	15.5
108.05322	11.6
119.08575	10.8
119.31272	4.2
121.10155	7.7
122.03651	11.2
123.11749	4.9
128.06255	6.8
129.07054	5.4
131.04918	7.4
131.08574	6.7
132.08885	7.3
137.05975	100.0
137.31670	4.0
138.06332	42.9
138.77309	4.3
141.06924	6.4
142.07332	5.4
151.03929	7.1
153.05452	7.8
156.05696	14.8
157.06174	18.0
158.06830	5.0
159.08064	16.2
160.08469	14.5
161.05827	5.2
165.12874	8.9
167.07076	35.6
168.07411	18.2
174.06905	6.1
175.07492	13.3
176.07947	8.0
177.05473	5.7
187.07515	15.5
188.07857	9.8
189.09193	5.9
190.09367	8.0
198.06374	6.2
201.09119	5.1
203.08476	5.6
204.08925	10.5
205.08493	5.1
206.08873	5.7
217.08603	32.4
218.07098	7.2
218.08957	55.4
219.07687	11.3
220.08528	6.2
222.10094	4.9
223.07422	5.8
224.08057	5.1
227.06566	7.7
232.08463	6.4
233.09451	8.4
234.09921	12.2
235.07327	12.8
236.07927	13.4
240.07408	9.5
241.08589	5.4
242.08978	14.7
247.07249	8.8
247.09660	13.7
248.10136	28.2
249.08960	13.3
250.09540	21.8
252.07539	12.6
253.08302	10.8
258.08585	7.4
261.08737	7.9
262.09451	22.3
263.06699	8.3
264.07376	11.1
266.09000	10.1
267.09720	5.6
270.08493	7.6
277.08652	6.3
278.09042	21.8
279.09760	19.0
280.10574	7.3
281.07559	9.2
282.12045	12.2
285.07642	14.0
286.07935	37.6
290.09122	10.4
291.09723	5.6
292.07239	5.2
292.10660	5.5
293.07639	5.6
294.08942	6.0
294.12039	28.0
299.09091	5.2
300.09955	17.3
301.10324	48.3
302.11057	18.2
307.09302	11.8
308.10071	10.6
309.10617	6.5
310.11578	20.2
312.09470	7.4
312.12793	5.8
314.11176	17.9
322.11545	35.8
324.09641	8.8
327.11884	20.3
339.11896	12.5
340.12622	24.8
342.14410	10.7
354.14209	65.9
372.15228	39.1
372.26639	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.05499	7.2
57.02276	2.2
57.07083	3.1
67.05504	3.3
69.03438	9.5
69.07076	2.3
70.06598	4.3
71.04980	2.5
71.08626	5.2
71.49114	2.8
73.04763	10.9
79.05501	3.7
81.03432	2.9
81.07043	6.0
83.05008	8.7
83.06096	2.7
84.08154	2.1
84.70715	1.6
85.02932	12.9
85.06538	4.0
86.09666	2.1
90.03207	1.6
91.05826	19.3
93.07032	4.3
95.04975	100.0
95.08614	2.3
97.02900	5.1
99.04470	17.8
101.06026	7.4
105.07024	3.5
107.04968	6.2
107.08578	5.1
109.02872	5.0
109.10189	2.7
111.04424	10.9
119.08605	2.1
119.57517	1.8
121.10144	4.6
127.03918	5.1
129.05490	12.8
131.08539	2.1
133.10152	4.4
135.08104	2.4
137.02353	4.1
137.05969	5.7
139.03903	3.7
145.10098	2.5
147.06522	6.8
153.05492	2.8
153.09120	28.6
161.05981	2.0
163.03908	5.2
167.07054	6.9
173.13251	3.0
181.12260	2.7
191.14207	3.4
194.02104	8.1
198.09193	2.0
209.04466	24.1
209.15384	28.8
217.04961	6.8
233.15393	2.3
239.08260	3.3
268.97897	3.7
285.00937	10.7
294.36346	2.0
355.06912	6.9
359.15619	1.8
371.04083	3.7
371.12595	2.4
371.16779	22.6
371.20731	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01876	3.1
55.05503	2.6
67.05500	4.6
69.03426	5.2
69.07063	2.6
69.38124	1.2
71.04980	1.9
71.49605	1.7
79.05482	6.8
81.03416	4.1
81.07070	9.1
83.05016	1.4
85.02901	7.5
85.06530	1.3
91.05448	9.4
93.03482	1.2
93.07044	5.3
95.04992	1.8
95.08600	4.9
97.02933	5.8
97.03478	1.1
97.06522	2.8
101.06049	1.3
103.05476	1.4
105.07034	7.2
107.04962	9.0
107.08587	5.7
109.06532	2.1
109.10143	3.4
111.04494	2.0
115.05433	1.7
117.07038	1.9
119.04900	2.0
119.08591	4.9
120.55910	1.1
121.02866	3.1
121.06483	3.8
121.10161	9.1
122.03653	1.7
123.04422	3.3
123.11691	1.2
124.05236	2.0
125.02416	2.0
127.03930	2.3
128.06265	2.4
129.05501	1.6
129.07030	4.1
131.04941	4.3
131.08583	5.8
133.06514	1.2
133.10159	5.5
135.04411	1.1
135.08041	2.4
135.11754	2.3
136.83716	1.1
137.05981	21.1
137.09525	1.2
141.06944	1.4
144.05739	2.4
145.06517	2.4
145.10129	2.3
147.04445	2.8
147.07935	1.2
147.11682	11.0
149.06059	1.5
149.09630	1.7
149.13248	1.8
151.03917	2.6
151.07536	1.4
156.05745	3.7
157.06557	3.2
157.10126	1.6
159.08067	4.3
160.05237	2.4
161.06039	2.5
163.03888	2.0
163.11176	2.7
163.14835	1.7
165.07083	1.5
165.12755	2.3
167.07091	13.8
167.08504	1.8
168.50038	1.3
171.11771	1.2
173.13287	2.3
174.06810	2.1
175.07590	4.0
175.11214	1.9
177.05435	1.7
178.07712	3.0
179.08635	1.5
181.05031	1.9
187.07506	5.8
189.05447	1.2
189.07089	1.2
189.09102	2.8
190.07784	2.1
191.07040	2.2
191.08623	2.2
191.10657	2.3
191.14317	13.0
193.06514	1.6
193.12250	3.1
194.07314	4.4
199.07530	1.3
202.07843	2.0
203.08627	2.4
204.09099	1.1
205.06586	1.8
205.08476	1.9
205.10207	1.9
206.07291	6.4
207.08101	5.2
209.06041	2.8
209.09698	1.4
209.11899	1.5
209.15315	14.6
210.06744	1.4
215.08714	2.7
217.08614	11.6
218.07304	5.3
219.08118	4.9
219.10144	1.8
221.05969	4.0
221.09657	2.6
222.06775	5.7
223.07603	4.1
224.08345	2.7
226.06252	1.8
227.09450	1.3
229.14302	2.4
231.08234	2.6
232.09050	1.7
233.09596	4.5
234.06760	7.2
235.07500	8.2
236.08357	5.2
237.05475	3.9
237.09239	3.6
238.09854	2.2
239.06999	2.2
241.08578	3.7
246.06757	1.4
247.07487	2.8
247.09741	4.9
248.08398	2.9
249.05531	1.7
249.06664	1.8
249.09138	18.4
250.06279	4.7
250.09984	4.3
251.07117	4.6
252.07895	12.4
253.08554	3.8
260.08392	1.5
261.09140	5.9
262.06216	2.5
262.09775	1.4
263.07169	5.6
263.09683	1.3
264.07852	5.9
265.05392	2.5
265.08661	15.1
266.05353	1.3
266.06250	1.5
266.09308	12.6
267.10159	1.4
268.07468	1.3
268.10428	1.2
269.08160	1.7
277.08673	10.1
278.09363	4.9
279.06717	3.1
279.10037	2.7
280.07358	13.5
281.08179	6.6
281.11380	1.7
285.04810	1.3
285.07483	6.6
286.08197	1.7
289.08530	2.3
291.10336	1.5
292.07489	1.7
292.11026	2.5
293.08157	4.4
293.11771	18.9
293.14783	1.7
294.08939	3.3
295.09720	5.1
296.10400	9.9
297.07614	1.8
297.10965	2.1
300.09891	6.0
301.10779	4.6
306.08990	1.9
307.09610	3.1
309.11337	7.7
310.11896	1.4
311.09442	1.7
311.12839	11.1
313.10690	3.3
321.11221	15.1
323.09204	2.5
324.10092	2.8
325.07190	1.5
325.10757	2.8
326.11487	3.9
327.08679	1.9
327.12326	2.3
338.11325	1.9
339.12283	100.0
340.12900	7.4
340.16711	1.2
341.13712	2.3
343.15479	1.3
353.13736	11.1
371.11319	3.3
371.14957	51.4
384.38458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
55.01862	4.5
55.05527	15.7
57.03452	3.5
57.07078	4.5
60.82135	2.6
61.02906	3.3
67.05502	7.8
68.29768	2.6
69.03436	13.6
69.07066	9.4
69.59749	17.7
70.06602	3.6
71.04991	6.8
71.08605	3.3
72.38016	2.6
73.04751	7.5
79.05509	9.8
81.03409	8.9
81.07066	17.1
83.04984	11.6
83.08630	11.8
85.02911	25.7
85.06561	3.4
91.05477	11.0
93.07047	25.0
95.04980	100.0
95.08614	5.1
97.02913	10.2
97.06517	4.3
99.04451	25.4
101.03520	5.1
101.06036	5.4
105.07060	7.4
107.04969	5.5
107.08588	22.2
109.02852	5.6
109.06522	9.7
109.10156	10.8
111.04481	6.9
111.08121	6.0
113.05990	4.1
113.11289	2.8
117.07031	3.5
121.10159	33.6
122.03648	3.1
123.11723	4.8
127.03951	10.0
129.05489	7.9
131.08530	4.7
133.10164	8.2
135.08037	10.0
135.11743	3.7
137.02399	2.9
137.05981	9.6
139.07460	3.2
145.04935	4.2
145.08603	6.8
146.08934	5.9
149.09708	3.6
149.13275	10.6
151.11150	3.7
153.09097	31.4
163.03928	7.9
163.14809	10.9
167.07071	7.7
167.14323	10.6
173.13254	7.2
179.03325	3.5
181.12160	4.8
191.14302	14.7
203.51039	3.2
209.04471	3.7
209.15341	48.9
217.08649	6.3
285.00955	5.8
297.61154	2.6
307.38885	3.2
342.34839	3.6
371.16782	78.0
371.20761	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	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01865	8.4
55.05498	4.3
57.03438	4.9
57.13208	3.0
60.99398	2.3
61.02946	3.3
67.05505	9.4
69.03431	11.4
69.07065	9.1
71.04982	6.6
71.49333	4.6
73.04738	4.3
79.05499	16.0
81.03414	8.2
81.07058	18.7
83.04977	3.8
85.02919	17.6
85.06551	4.5
86.04664	2.2
89.45674	2.2
91.05462	18.7
91.54097	2.6
93.07043	12.2
93.29008	2.5
94.04201	2.3
95.04976	4.7
95.08614	12.4
97.02900	10.9
97.06516	5.2
99.04469	3.2
101.06014	3.0
103.05465	3.5
105.07028	13.6
107.04977	16.1
107.08614	14.4
109.02882	5.2
109.06543	3.2
109.10154	3.6
111.04452	3.7
111.08107	2.8
117.06990	4.8
119.04925	3.0
119.08569	12.5
121.02855	3.9
121.06504	3.1
121.10146	17.0
122.03648	4.9
123.00755	2.5
123.04430	4.6
123.08067	3.0
123.11708	5.5
125.05981	2.8
127.03946	6.5
128.06183	3.0
129.05495	5.2
129.07028	7.3
131.04945	6.9
131.08571	8.6
133.10144	9.3
135.04404	2.9
135.08061	5.7
135.11761	4.4
137.05991	40.4
137.09682	2.7
144.05577	4.9
145.10138	7.1
147.04367	3.7
147.08076	3.3
147.11700	17.7
149.09630	4.0
149.13301	4.7
151.03975	3.7
151.07584	3.6
151.08752	2.8
153.06958	3.4
156.05724	10.4
159.08032	9.2
161.05928	4.0
163.03972	4.8
163.07555	5.2
163.14830	6.0
165.12848	6.7
167.07050	27.7
172.05226	3.1
173.13216	6.4
175.07533	7.3
175.11156	3.2
177.05515	4.9
181.04933	2.8
181.06476	3.4
186.06741	2.6
187.07581	8.1
189.07101	3.3
190.07808	2.5
191.06921	3.6
191.08601	3.9
191.10556	3.4
191.14308	32.7
192.07820	3.7
193.10173	2.7
193.12212	2.8
194.07207	6.2
195.08025	4.6
196.08891	3.1
201.09145	2.4
202.06177	4.6
202.07819	4.1
203.08566	5.6
205.08441	2.8
206.07292	6.1
207.08109	4.5
209.06024	2.7
209.15314	33.7
215.08652	4.1
217.08640	25.9
218.07312	7.5
219.08096	6.1
219.10097	4.6
221.06009	5.6
221.09570	4.6
222.06779	5.7
223.07603	3.8
224.08389	3.2
229.14513	2.9
231.08098	6.9
233.05887	3.0
233.09682	5.4
234.06862	6.7
235.07588	11.4
236.08244	5.9
237.08954	2.7
239.07019	4.0
241.08569	6.6
247.07497	6.1
247.09706	8.8
248.08340	4.3
249.09155	19.4
250.06258	4.4
250.09933	4.6
251.07054	7.8
252.07741	13.0
253.08569	3.3
260.08185	4.2
261.09085	11.2
263.07034	11.3
264.07816	9.1
265.06030	2.8
265.08609	18.9
266.09366	11.3
267.06390	2.8
269.08081	4.1
271.05981	2.4
276.07797	3.3
277.08661	10.4
278.09299	7.9
279.06534	5.4
279.09924	4.1
280.07333	14.9
281.08139	9.2
281.11615	5.2
285.07544	12.1
289.08597	7.2
293.08490	4.5
293.11743	19.6
294.08832	4.1
295.09613	9.9
296.10452	11.9
297.11230	4.0
299.05518	5.0
300.09976	15.9
301.10779	4.8
306.08890	3.0
307.09744	4.5
309.11026	12.3
311.12711	7.7
313.10767	6.6
321.11237	27.6
323.09076	4.8
326.11456	6.5
339.12283	100.0
340.12982	9.2
341.13751	7.8
353.13760	26.7
371.11053	3.9
371.14951	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	371.2064
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.05506	3.3
57.03434	4.4
61.02925	4.1
63.04716	2.6
65.03933	4.5
67.05499	5.0
69.03446	15.1
69.03763	2.8
69.85313	10.3
69.85723	4.7
73.54681	2.7
77.36261	2.6
79.05500	5.8
81.03420	6.6
81.07055	5.5
85.02921	28.8
90.19583	2.6
91.05478	55.4
93.07038	3.9
95.04961	6.5
97.02887	9.6
105.07055	4.6
107.04932	5.2
107.08613	11.2
109.02860	3.7
109.06521	6.4
115.05499	2.4
119.08548	6.3
121.06513	3.2
121.10205	13.1
122.07300	3.7
123.08065	5.5
123.11709	3.5
127.03922	5.4
129.07164	2.8
133.10098	4.0
135.08058	4.7
137.06001	9.9
137.09621	11.9
145.05002	3.6
147.11745	4.4
149.09642	25.2
149.13310	5.1
151.03900	6.4
151.11160	19.8
159.08170	2.9
163.11244	3.2
165.12776	40.5
167.07077	21.9
171.77956	2.5
173.13364	3.1
173.31386	2.5
175.07567	7.7
177.05511	3.6
179.07065	2.5
187.07509	6.5
191.14320	16.9
193.15952	3.3
209.15373	100.0
211.07567	3.3
217.08609	5.4
218.41530	2.5
219.08112	3.9
219.10115	3.6
231.08212	2.9
235.07584	3.9
239.07074	5.4
249.09271	4.7
251.06935	2.9
264.07809	3.4
266.09711	2.5
277.08661	4.6
281.11591	2.8
283.09842	4.6
285.07635	2.9
293.11499	2.7
295.09863	3.2
300.10275	3.3
309.11108	6.3
311.51398	2.9
321.11389	4.8
328.12964	12.8
339.12320	9.9
353.13937	6.7
371.14844	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12945	12.3
69.23709	41.7
69.24139	91.2
70.58861	12.3
79.05506	29.2
81.07063	26.7
91.05459	22.6
93.07095	14.1
95.08586	19.7
98.21558	32.9
98.97008	12.4
100.03102	12.9
101.65868	12.7
105.07056	31.2
107.04961	17.3
107.08593	54.0
109.10139	16.9
121.10140	32.1
122.15533	13.1
129.05513	14.5
131.08586	17.4
133.10123	87.9
137.06017	96.8
137.09602	47.9
156.05789	21.7
159.08073	17.5
163.14861	32.3
165.05499	14.4
167.07036	100.0
167.67387	13.7
175.07541	25.3
179.14293	16.3
187.07513	35.2
191.14328	51.5
217.08617	57.6
234.06859	25.4
247.09709	18.6
249.09071	25.7
261.08960	26.6
277.08524	30.3
285.07623	29.7
289.08804	14.6
293.11813	28.5
295.09711	18.8
300.09943	39.2
301.10461	19.0
309.11160	45.8
316.75073	13.3
321.11295	49.0
339.12381	47.4
341.13928	22.7
353.13800	57.8
369.86075	13.7
371.14966	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.5
55.01881	12.4
55.05506	10.2
57.03452	10.9
57.07059	3.6
65.03947	4.4
67.05515	32.7
69.03101	2.3
69.03442	37.2
69.07082	15.3
71.04984	6.3
71.49963	3.9
79.05501	29.6
81.03440	16.2
81.07066	89.1
83.04987	10.5
83.08631	7.3
84.08152	4.1
85.02896	7.4
85.06532	4.0
91.05484	38.2
93.07056	20.7
95.04977	7.4
95.08624	26.3
97.02307	3.6
97.02904	55.1
97.06564	13.0
99.04449	7.7
99.08125	5.6
103.05463	2.8
105.07041	44.7
107.04956	6.6
107.08607	13.3
109.06513	8.0
109.10150	3.9
111.04454	6.2
111.08114	3.1
113.02383	3.1
115.03924	11.6
118.07395	2.0
119.04908	3.0
119.08598	43.0
121.06505	3.7
121.10173	19.4
123.04473	4.0
123.08086	7.3
123.11719	27.2
125.02370	33.1
125.06026	3.0
127.07605	2.5
129.05518	3.8
129.06964	7.3
130.85725	2.4
131.04962	4.9
131.08556	7.2
133.06509	3.1
133.10162	11.1
137.05960	10.0
143.03406	4.7
143.72903	2.4
145.10191	4.4
147.04449	6.0
147.08070	3.4
147.11708	100.0
149.06004	2.7
149.09651	4.2
151.03885	3.2
151.07568	3.5
157.10117	15.5
159.08046	4.6
161.06070	3.1
162.06767	2.9
163.11171	2.5
165.12776	51.6
167.07057	36.6
174.06697	2.2
175.07547	13.0
175.11197	20.4
177.05505	2.9
181.06580	2.5
183.13785	7.9
187.07547	5.6
191.06996	4.2
191.14320	3.3
193.12260	23.3
199.07581	3.5
203.08594	2.6
205.06601	3.1
207.08244	3.2
211.13359	4.4
217.08659	3.2
218.07402	4.2
220.08801	3.3
221.09665	2.7
223.07573	3.8
229.14412	27.9
234.06932	3.0
235.07486	4.8
237.05577	3.2
237.08942	2.7
247.07637	3.7
249.09120	9.7
251.07193	3.2
252.07837	7.9
261.09189	3.9
263.06949	4.2
264.07867	3.8
265.08679	9.9
266.09378	4.8
267.10220	3.6
277.08499	6.3
278.09317	3.3
280.07266	2.8
281.08221	3.1
281.11703	2.8
289.08554	3.7
291.10098	3.0
293.08307	2.6
293.11517	6.2
295.09576	3.3
296.10361	6.0
297.11215	5.4
309.11313	9.0
311.09250	2.8
311.12817	6.4
321.11292	7.7
322.11606	2.8
325.16525	39.5
327.12381	4.0
339.12305	37.8
341.13889	5.6
353.16348	12.9
371.16254	22.5
371.25626	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	371.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.5
55.01881	12.4
55.05506	10.2
57.03452	10.9
57.07059	3.6
65.03947	4.4
67.05515	32.7
69.03101	2.3
69.03442	37.2
69.07082	15.3
71.04984	6.3
71.49963	3.9
79.05501	29.6
81.03440	16.2
81.07066	89.1
83.04987	10.5
83.08631	7.3
84.08152	4.1
85.02896	7.4
85.06532	4.0
91.05484	38.2
93.07056	20.7
95.04977	7.4
95.08624	26.3
97.02307	3.6
97.02904	55.1
97.06564	13.0
99.04449	7.7
99.08125	5.6
103.05463	2.8
105.07041	44.7
107.04956	6.6
107.08607	13.3
109.06513	8.0
109.10150	3.9
111.04454	6.2
111.08114	3.1
113.02383	3.1
115.03924	11.6
118.07395	2.0
119.04908	3.0
119.08598	43.0
121.06505	3.7
121.10173	19.4
123.04473	4.0
123.08086	7.3
123.11719	27.2
125.02370	33.1
125.06026	3.0
127.07605	2.5
129.05518	3.8
129.06964	7.3
130.85725	2.4
131.04962	4.9
131.08556	7.2
133.06509	3.1
133.10162	11.1
137.05960	10.0
143.03406	4.7
143.72903	2.4
145.10191	4.4
147.04449	6.0
147.08070	3.4
147.11708	100.0
149.06004	2.7
149.09651	4.2
151.03885	3.2
151.07568	3.5
157.10117	15.5
159.08046	4.6
161.06070	3.1
162.06767	2.9
163.11171	2.5
165.12776	51.6
167.07057	36.6
174.06697	2.2
175.07547	13.0
175.11197	20.4
177.05505	2.9
181.06580	2.5
183.13785	7.9
187.07547	5.6
191.06996	4.2
191.14320	3.3
193.12260	23.3
199.07581	3.5
203.08594	2.6
205.06601	3.1
207.08244	3.2
211.13359	4.4
217.08659	3.2
218.07402	4.2
220.08801	3.3
221.09665	2.7
223.07573	3.8
229.14412	27.9
234.06932	3.0
235.07486	4.8
237.05577	3.2
237.08942	2.7
247.07637	3.7
249.09120	9.7
251.07193	3.2
252.07837	7.9
261.09189	3.9
263.06949	4.2
264.07867	3.8
265.08679	9.9
266.09378	4.8
267.10220	3.6
277.08499	6.3
278.09317	3.3
280.07266	2.8
281.08221	3.1
281.11703	2.8
289.08554	3.7
291.10098	3.0
293.08307	2.6
293.11517	6.2
295.09576	3.3
296.10361	6.0
297.11215	5.4
309.11313	9.0
311.09250	2.8
311.12817	6.4
321.11292	7.7
322.11606	2.8
325.16525	39.5
327.12381	4.0
339.12305	37.8
341.13889	5.6
353.16348	12.9
371.16254	22.5
371.25626	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	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51891	2.3
67.05496	3.0
71.16864	4.2
79.05493	8.3
81.07066	4.1
84.47218	2.4
91.05479	9.6
94.04189	5.3
107.04973	16.6
109.06544	2.7
111.04443	2.8
115.05452	5.5
116.06201	3.8
117.07021	2.8
119.08572	2.9
122.03662	11.6
123.04439	6.2
128.06215	7.2
129.07016	13.4
131.04897	3.5
131.08565	10.7
137.05986	100.0
137.90143	2.1
141.06992	6.2
142.16385	2.3
144.05699	8.8
145.06502	4.7
149.05930	2.9
151.03925	3.3
151.07542	4.5
156.05696	24.8
157.06491	8.0
158.07330	4.1
159.08064	16.0
160.05240	3.0
163.03937	2.8
167.07050	41.4
172.05238	5.6
174.06741	5.5
175.07571	9.4
177.05461	5.7
177.06964	2.4
181.06512	3.7
184.05193	4.2
186.06783	2.6
187.07576	21.4
189.06996	4.6
189.09143	9.7
190.07677	3.2
191.08632	3.8
193.08560	3.2
195.06567	3.2
198.06830	3.6
201.09108	4.4
202.06209	8.1
202.07874	3.4
203.08618	8.3
205.06664	5.3
205.08600	8.2
206.07297	8.3
207.08110	4.6
211.07626	4.8
215.06853	3.7
215.08678	3.5
217.06737	3.5
217.08604	68.3
218.07307	13.9
219.08058	8.6
219.10091	5.8
221.09648	8.3
223.07498	3.7
226.06259	5.2
229.08530	3.2
231.08133	6.4
232.04976	2.6
232.08983	4.9
233.09657	16.9
234.06747	12.7
235.07458	12.3
238.09853	3.0
239.07060	19.2
241.08658	15.4
242.05739	3.0
246.06763	7.0
247.07426	6.3
247.09692	33.7
248.08249	7.2
249.09097	23.7
250.09879	3.9
251.06987	6.2
252.07820	7.9
254.30698	2.8
255.06375	4.7
257.08179	5.4
259.07388	3.7
260.08359	7.5
260.73828	2.6
261.09131	29.7
262.06235	4.6
262.09827	4.4
263.07217	15.2
264.07785	5.1
265.08679	3.6
266.09402	4.6
269.08163	9.3
271.05963	4.0
275.06958	2.7
277.08667	25.9
278.09357	14.5
279.06537	5.5
280.07159	6.3
281.11749	9.5
283.09744	3.1
285.07599	49.5
286.08215	2.8
289.08563	8.5
290.09540	3.4
293.08551	4.8
293.11694	23.0
294.08817	5.8
295.09521	5.6
300.09943	50.4
301.10648	15.9
306.08969	9.1
307.09555	6.7
309.11151	21.8
311.09171	5.0
311.12653	5.3
313.10529	12.9
321.11191	33.5
322.11780	4.4
323.09174	10.2
326.11530	15.8
327.12109	4.4
338.11563	7.0
339.12228	5.5
341.13907	12.0
353.13828	54.3
371.11380	2.5
371.14966	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.01854	1.3
65.99553	0.8
67.32489	0.8
69.37811	5.1
69.38227	2.4
79.05496	1.3
81.07045	1.9
91.05482	5.1
95.04971	0.8
95.08617	1.4
101.97606	0.9
103.75487	0.8
105.07018	2.1
107.04959	3.1
118.95582	0.9
119.04907	1.3
121.06481	1.2
121.10116	1.2
122.03643	0.9
129.07051	1.6
131.04924	2.4
137.05984	2.4
141.07042	0.9
142.03874	0.9
144.05806	1.3
147.04466	1.1
147.11726	1.1
157.06551	1.0
159.07961	1.0
161.05959	0.8
165.06967	1.7
166.07809	1.0
167.07115	4.3
175.07581	1.6
178.07808	2.8
179.08572	2.0
181.06523	1.3
184.54610	0.9
187.07600	1.1
188.93117	1.0
194.07306	3.7
195.08084	2.8
202.07909	1.0
203.08553	1.2
205.06529	2.0
206.07339	2.9
207.08037	2.9
208.08775	1.2
209.05939	2.3
209.09642	1.6
217.06657	1.2
217.08617	2.1
218.07271	2.2
219.08043	2.2
220.08989	1.0
221.05986	3.0
221.09547	1.6
222.06741	5.4
223.07541	3.5
224.08328	2.2
231.08049	2.2
232.08821	1.7
233.09633	1.3
234.06770	4.5
234.10382	1.2
235.07486	5.8
236.08354	4.3
237.05548	2.5
237.09122	4.1
239.07043	1.7
240.07979	1.4
247.07477	2.0
248.08250	1.7
249.05411	2.1
249.09122	15.1
250.06230	3.0
250.09929	2.9
251.07069	3.8
252.07825	11.3
253.08507	1.6
259.80869	1.0
260.08481	1.0
261.09134	4.0
263.07025	5.1
264.07831	3.9
264.11700	1.1
265.05072	2.0
265.08603	17.6
266.09381	10.5
267.09979	0.9
275.10782	1.8
277.08643	4.0
278.09387	2.5
279.06430	1.3
279.10117	1.2
280.07327	11.3
280.10312	1.6
281.08163	6.2
281.10907	1.1
293.08090	3.7
293.11713	11.3
294.08914	2.1
295.09592	4.3
296.10416	8.8
300.10117	1.0
309.11130	2.6
310.11896	1.5
311.12708	10.1
313.10654	1.6
321.11102	8.3
324.10046	1.8
325.10739	1.2
339.12280	100.0
340.12958	5.7
353.14148	1.6
371.14911	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
71.00883	1.0
71.01208	1.3
82.58044	0.8
91.05476	2.0
100.99334	0.8
119.04990	1.0
131.04938	1.1
137.05975	1.6
138.77936	0.7
147.04422	1.6
159.08089	0.9
165.06973	2.2
167.07016	1.8
175.07463	1.1
177.06976	1.0
178.07782	2.6
179.08554	1.8
181.06516	2.9
187.07516	1.2
189.06952	1.4
190.07700	1.1
191.14299	1.4
193.06509	1.0
194.07262	3.6
194.76781	1.0
195.08096	3.0
203.08531	2.0
205.06488	2.9
206.07289	3.9
207.08047	3.8
208.08850	0.9
209.06050	2.0
209.09586	1.2
209.55769	0.8
215.08571	2.4
217.08754	0.9
218.07318	2.6
219.08141	2.1
220.05290	0.9
220.08839	1.3
220.88669	0.8
221.06009	4.0
221.09543	1.3
222.06786	5.6
223.07529	2.8
224.08408	2.5
225.09099	1.1
231.08267	1.7
232.08827	2.2
233.09601	2.0
234.06694	3.8
235.07524	6.2
236.08340	4.9
237.05399	2.4
237.09218	5.0
238.06235	0.9
239.07011	1.3
247.07516	1.9
248.08319	1.8
249.05467	2.3
249.09116	15.3
250.06213	4.1
250.09872	4.2
251.07054	5.6
252.07889	11.3
253.08588	2.6
261.09125	1.7
263.07083	4.1
263.10193	0.7
264.07825	3.5
265.05090	2.7
265.08588	18.9
265.11728	1.3
265.12265	1.0
266.09415	13.2
267.10123	1.7
275.10794	1.0
277.08517	4.1
278.09311	3.0
279.06396	1.6
280.07346	11.5
281.05368	0.9
281.08014	5.7
291.06650	1.1
292.10913	1.3
293.08109	2.6
293.11731	11.7
294.08960	1.4
295.09637	5.6
296.10400	11.4
309.11127	2.5
310.12000	0.9
311.12781	10.2
313.10757	1.1
321.11246	6.3
324.09988	2.2
325.10660	1.3
339.12286	100.0
340.12909	7.1
353.13528	0.8
371.14914	35.7
372.15192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75053	16.1
69.03428	26.0
70.27772	47.6
81.03385	14.0
85.02892	55.3
98.97558	32.3
99.71740	14.5
100.22942	13.8
101.36485	13.2
127.03917	30.4
137.05989	23.2
143.01924	14.3
150.50412	13.4
168.63782	12.6
200.04399	28.3
219.01712	15.7
310.40381	14.3
313.01303	14.7
314.64450	14.0
318.37451	14.1
371.07443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32414	1.6
51.69618	1.9
55.01860	2.8
56.26217	1.5
65.14272	1.7
67.05907	1.6
69.51978	6.2
69.52391	5.2
71.88761	1.5
79.05488	9.7
81.07056	3.4
91.05488	9.8
94.04176	4.4
95.04957	2.7
95.08591	1.7
101.06017	1.9
105.07031	2.5
107.04955	18.6
109.06561	2.0
115.05426	4.5
116.06239	2.1
119.04933	2.6
122.03650	10.4
123.04404	2.2
124.05231	2.1
128.06229	6.3
129.07002	14.0
129.66412	1.6
130.07724	1.9
131.04930	3.9
131.08548	9.1
133.02783	1.9
133.06519	1.9
137.05983	100.0
141.07010	6.7
142.39021	1.8
143.04918	2.0
144.05721	9.6
145.06477	3.8
147.11601	2.1
148.05307	1.8
149.05989	1.8
151.03902	2.7
151.07516	4.7
156.05696	26.1
157.06506	7.8
158.07274	2.4
159.04408	2.5
159.08047	19.3
160.05223	2.1
161.05969	5.6
163.03880	2.8
163.07582	2.1
167.07048	36.8
169.06396	4.5
169.07669	2.3
172.05269	3.9
173.05974	4.0
174.06775	3.9
175.07567	13.0
177.05495	6.3
178.07787	4.7
179.07079	1.9
181.06537	4.2
184.05226	2.3
186.06743	4.4
187.07532	21.1
189.07082	3.7
189.09108	9.1
190.07797	3.6
191.08554	3.1
193.10158	2.9
194.57744	1.9
195.08098	2.9
198.06673	2.9
199.07562	2.0
201.09154	3.5
202.06216	5.0
202.07881	2.5
203.08607	9.7
204.09312	2.3
205.06708	2.9
205.08574	7.4
205.10263	3.8
206.07332	5.7
207.08000	5.0
209.05960	1.8
211.07555	4.7
215.06900	3.8
215.08682	3.9
217.06647	2.4
217.08589	72.7
217.10699	3.5
218.07185	11.9
219.08055	7.3
219.10190	4.5
220.08813	2.4
221.09666	8.2
223.07526	4.0
224.08363	3.2
226.06235	5.1
227.07048	2.0
229.08646	2.4
231.08127	10.8
232.08809	5.1
233.05971	3.1
233.09596	17.6
234.06804	11.1
235.07564	11.2
237.05510	3.1
237.08972	1.9
239.07037	18.6
241.08624	18.7
242.05765	3.3
246.06844	4.7
247.07465	7.9
247.09692	27.9
248.08232	4.0
249.06271	2.2
249.09058	22.6
250.06335	3.2
250.09808	4.9
251.07030	6.8
251.10504	2.2
252.07794	10.8
255.06630	2.1
256.03732	2.2
257.08035	5.7
260.08356	3.7
261.09100	27.3
262.06271	5.3
262.09833	5.3
263.07040	11.3
263.10703	2.2
264.07986	3.2
265.08585	6.0
266.09396	6.4
269.08139	8.5
271.05954	7.9
271.16391	1.9
274.06393	1.8
275.07086	2.8
277.08594	21.9
278.09402	13.5
279.06503	4.8
279.09970	3.7
280.07245	5.2
281.08530	1.6
281.11713	9.7
283.09781	2.5
285.07590	38.5
286.08395	3.9
289.08694	9.5
291.03217	1.6
291.06638	4.2
291.10199	5.2
292.07407	3.5
292.10858	2.4
293.08002	6.0
293.11707	21.4
294.08798	5.3
295.09607	6.3
296.10812	1.7
298.08356	4.5
300.09933	48.2
301.10742	12.8
305.08066	2.7
306.08765	8.7
307.09689	8.1
308.06918	2.7
309.11240	25.5
311.09259	3.3
313.10663	12.8
320.10205	2.1
321.11212	32.7
322.11795	4.1
323.09100	9.2
326.11481	18.1
327.12061	2.8
338.11642	8.1
339.12268	9.3
341.13727	10.1
353.13821	54.8
354.14227	2.4
371.14899	25.8
377.38535	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96540	1.1
60.80421	1.1
61.02922	1.2
69.03383	1.3
71.04991	38.7
71.22764	1.7
79.65001	1.2
85.02922	4.5
85.06538	3.1
86.54860	1.1
111.65336	1.1
113.06020	4.8
126.73342	1.3
127.07554	15.4
129.37654	1.0
131.07051	14.5
140.20126	1.0
145.04915	2.2
145.08603	100.0
173.08128	5.1
180.08675	1.4
191.09142	16.7
208.06485	1.3
208.11824	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3317
Annotation	Aplidiasphingosine
Peak:m/z	Relative Intensity
55.05513	40.3
57.07081	50.0
67.05518	21.0
68.88640	8.4
69.07070	67.3
69.18698	100.0
71.08624	31.8
74.02435	28.5
81.07057	34.0
82.06586	9.7
83.00040	8.3
83.08611	39.1
84.08148	27.3
85.10184	14.9
93.07040	12.8
95.08607	30.7
97.10152	21.6
107.08590	11.7
109.10191	17.0
111.11710	14.9
119.08606	13.4
121.10192	12.0
123.11700	19.4
159.42859	8.4
175.58371	8.4
188.94057	8.4
282.31580	20.7
292.30264	12.1
306.31491	45.2
324.32690	13.2
334.31253	11.9
352.21915	10.7
352.32120	57.6
370.33371	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.2
54.71724	4.1
55.05502	15.7
57.07068	7.4
57.18161	4.3
64.11308	4.5
67.05506	43.5
69.07064	25.2
69.66728	28.0
79.05502	43.3
79.87691	5.0
81.07056	54.1
83.08632	8.3
85.06537	5.0
91.05485	59.9
93.07047	95.8
95.04950	9.9
95.08605	45.4
97.06516	5.6
97.10175	4.4
100.08427	4.9
105.07032	88.9
107.04934	4.3
107.08600	100.0
109.06506	8.0
109.10168	68.6
117.07002	30.7
119.08576	82.5
121.10139	55.3
123.11703	14.7
125.09592	6.3
128.06238	13.4
129.07002	26.1
131.08556	51.3
133.10133	72.3
135.08031	9.7
135.11734	27.3
137.13271	7.4
139.11160	5.4
142.07751	16.3
143.08575	42.6
144.09360	6.5
145.10130	57.8
147.08096	4.8
147.11682	69.5
149.09694	7.9
149.13269	16.1
151.11142	10.1
155.08562	8.6
156.09418	9.2
157.10147	53.0
158.10930	6.1
159.11700	64.3
161.13249	26.8
163.14757	4.7
169.10118	13.0
170.10988	8.6
171.11681	39.7
173.13290	35.5
175.14841	16.0
177.12823	6.7
177.16467	6.6
182.10982	4.7
183.11720	13.6
185.13225	21.7
187.14825	43.8
189.12816	8.2
189.16429	10.3
195.11473	5.4
197.13269	15.0
199.14806	68.1
201.16415	7.1
203.14313	4.9
205.15891	58.4
205.61575	4.9
207.11792	5.2
209.13301	8.3
211.14792	11.3
213.16391	20.7
215.14320	13.2
215.17931	5.9
219.17363	4.8
221.13345	6.1
223.14928	5.8
223.16931	39.2
225.16296	7.4
227.17877	8.4
235.16972	7.2
237.16374	6.4
251.18047	5.5
253.19495	10.2
277.19247	5.2
293.22647	4.8
301.21561	19.9
333.25922	31.1
351.26849	56.7
369.13300	5.6
369.24069	17.6
369.27878	97.4
369.31708	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	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.2
55.01868	23.3
55.05511	20.0
57.03436	12.2
61.02912	13.5
65.03938	6.2
67.05506	38.3
69.03426	29.2
69.07079	32.3
69.21644	28.4
69.22070	14.3
70.06550	4.2
71.04987	12.4
73.02914	5.0
76.06892	4.1
79.05498	42.6
81.03408	27.7
81.07048	43.4
83.04984	27.1
83.52588	4.1
85.02917	59.2
85.06573	9.8
87.04480	6.2
91.03964	4.4
91.05487	53.3
93.07053	39.2
95.04954	14.0
95.08623	24.2
97.02877	23.3
97.06530	15.2
99.04460	6.7
99.08088	10.1
105.03435	3.8
105.07042	47.5
107.04934	14.9
107.08609	39.7
109.02879	7.4
109.06546	10.3
109.10165	7.8
111.08078	6.5
113.06065	4.2
115.05486	4.9
117.07011	16.3
119.04926	25.5
119.07822	7.7
119.08592	86.7
121.06495	14.6
121.10143	40.5
123.04419	7.9
123.08103	6.6
125.05961	4.6
125.09642	7.6
127.03928	12.8
129.07002	8.8
131.04921	5.5
131.08571	28.3
133.06523	27.7
133.10149	43.9
135.04375	5.7
135.08075	13.0
135.11713	17.6
137.05983	32.3
137.09634	10.4
138.69885	4.1
139.03920	9.0
141.25394	4.2
142.82382	3.7
145.04956	13.3
145.10146	55.4
147.04416	16.4
147.08026	15.4
147.09303	3.8
147.11678	28.1
149.05975	6.9
149.09639	15.1
156.09360	12.4
157.10149	4.6
159.08057	9.3
159.11702	11.4
161.05956	8.2
161.09584	6.8
161.13275	33.1
163.03986	6.2
163.11162	32.9
167.07016	8.6
171.11635	19.7
173.09677	8.4
173.13303	8.2
175.03925	33.7
175.07538	15.2
177.05428	7.0
177.09068	8.1
179.06941	4.7
179.10667	4.1
181.04930	7.8
181.12254	7.1
185.04214	4.6
187.11229	6.9
189.12738	73.6
191.10608	8.5
191.14326	5.7
201.16402	17.9
205.12239	7.3
207.06548	62.5
207.09827	22.3
207.13805	100.0
219.08238	5.9
219.10229	13.2
229.15845	6.8
234.06801	5.0
234.98926	6.1
237.18495	19.0
247.07703	5.9
247.17218	5.2
249.09221	7.5
277.08618	7.7
307.09479	5.8
309.11353	4.4
319.09747	4.4
323.09048	6.2
337.10629	8.9
339.12137	5.3
341.06769	5.8
343.15146	4.0
351.18066	9.9
369.06042	9.5
369.14648	37.8
369.19308	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	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01859	2.9
55.05522	1.1
57.03429	2.7
57.07084	1.2
59.04993	1.6
61.02942	4.0
67.05491	1.6
69.03434	24.7
70.05169	2.5
70.05583	1.8
71.04992	2.2
73.02953	1.6
79.05494	2.2
81.03430	8.3
81.07057	3.5
83.04995	1.3
85.02914	28.3
87.04476	2.7
91.05490	11.4
93.07056	3.5
94.94309	0.9
95.04955	4.2
95.08608	3.5
97.02900	11.0
97.06506	1.1
99.04463	2.2
103.05466	1.0
105.07031	4.6
107.04910	0.9
107.08591	3.3
109.02861	4.0
109.06530	26.1
111.08098	1.5
116.06255	1.4
117.07052	1.2
119.04933	2.3
119.08595	11.4
121.06519	1.4
121.10139	2.9
121.10957	0.9
123.08065	6.4
124.97417	0.9
127.03932	6.9
129.07066	4.1
131.08572	19.4
133.06491	5.8
133.10086	1.7
135.08051	1.8
137.02339	1.7
137.06056	1.9
143.08627	1.0
145.04971	4.5
145.06534	0.9
145.10139	3.5
147.04356	1.7
147.08063	17.9
147.11705	2.8
149.09583	3.0
151.07556	100.0
156.09360	5.1
159.11705	1.1
161.05977	0.8
161.09634	2.0
163.03862	1.3
163.05984	1.2
163.11218	11.2
165.12791	1.5
171.11703	8.8
173.09608	0.9
175.03917	3.7
175.07501	1.5
187.11150	1.1
189.12756	40.7
191.10815	0.8
203.14339	0.8
207.06523	6.1
207.13812	40.3
231.13904	1.5
237.07861	1.0
341.06915	0.9
369.05750	1.2
369.09601	2.0
369.13522	3.2
369.19171	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1337
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
52.98054	1.5
53.03955	2.4
55.01875	2.2
55.05503	1.7
57.03428	2.1
59.87259	1.2
65.37747	1.3
65.46739	1.1
67.05521	2.9
68.99802	3.8
69.03425	5.2
69.07059	1.2
71.05055	1.2
71.50237	1.9
79.05496	2.5
81.03423	10.4
81.07072	2.5
83.04974	1.9
85.02885	3.0
91.05492	14.3
93.07059	3.3
95.04959	2.3
95.08610	1.7
97.02890	3.0
97.06529	2.5
98.56072	1.2
99.04469	1.4
103.05471	1.3
105.07050	4.1
107.05009	1.8
107.08591	2.3
109.02896	3.1
111.00806	1.7
111.04465	4.8
115.05534	1.3
119.04958	13.7
119.08586	3.1
121.02874	2.8
121.06531	1.4
123.04438	9.4
129.07010	1.7
131.04939	3.1
133.10161	3.2
135.04454	1.4
137.06010	4.2
139.03920	100.0
145.06471	2.1
145.10164	3.9
147.04399	13.8
147.11746	3.4
149.06015	3.8
151.03894	2.6
153.05501	1.7
153.06958	1.3
159.08092	1.8
160.05226	2.8
161.06044	8.0
163.03938	21.3
163.11244	1.6
167.07050	1.9
168.05858	1.5
169.10210	2.1
171.08115	1.8
173.05992	3.9
173.09590	3.0
174.06657	2.1
175.03952	24.0
175.07602	4.5
177.05501	1.8
177.09213	2.3
179.03482	10.0
186.06848	2.7
187.07556	3.2
187.11215	1.3
189.09135	6.7
191.10736	6.9
192.04144	1.7
197.06009	2.2
197.09604	3.0
199.07643	1.3
200.08440	2.6
201.05457	2.3
201.09142	8.0
207.06525	35.7
207.08400	2.3
213.09119	2.4
214.06349	2.2
215.10687	6.1
219.10089	8.8
221.06033	3.1
225.09207	2.4
229.05193	2.0
231.10201	9.1
234.06677	1.4
243.10085	6.4
249.05559	1.8
263.06934	1.6
267.06464	3.7
267.10150	1.7
295.06058	11.0
295.09247	2.5
309.07669	8.5
311.05701	2.1
313.07135	27.3
313.10562	2.5
314.07401	1.5
321.07617	3.1
322.08310	2.0
323.09158	1.7
325.10742	3.3
337.10739	2.4
341.13821	2.2
351.11758	14.3
369.13391	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	369.1332
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
50.59747	3.9
53.03935	5.4
55.05505	4.3
65.03926	14.3
67.05502	14.4
69.03414	11.9
69.07048	8.0
69.70295	26.8
79.05479	5.0
81.03418	22.6
81.07053	6.5
85.02863	6.9
91.05474	29.9
93.07028	7.3
95.04973	7.1
97.02912	5.4
97.06531	34.7
98.20849	5.9
100.46502	4.1
105.03397	7.1
105.07002	8.7
107.04905	7.9
110.03656	9.2
111.04443	5.3
119.04927	44.1
119.08606	6.0
121.02840	9.5
123.04481	24.2
125.05988	10.4
127.03895	5.4
128.06281	6.1
131.04855	5.1
133.10156	7.2
137.05925	14.1
139.03929	20.6
141.06949	5.0
147.04411	38.3
147.08009	7.1
148.93240	4.5
149.09633	4.7
151.07526	4.2
153.05463	25.6
157.06482	4.5
160.05055	4.5
161.06023	4.5
163.03967	24.4
169.06480	5.7
171.04474	5.0
171.08009	9.0
175.03909	48.6
175.07521	20.0
178.07768	6.0
181.04930	4.8
183.06509	9.4
185.06009	6.1
187.07567	5.5
199.07544	70.8
201.09149	28.6
203.08563	5.8
204.05618	5.1
207.06512	100.0
216.07872	6.7
218.07312	7.2
219.08110	9.1
219.10159	38.0
220.08858	5.8
229.08559	12.6
234.06758	9.2
235.07634	8.7
236.08336	6.5
237.09094	7.2
247.07524	7.3
249.09177	6.0
251.10706	20.0
254.40019	4.2
263.07028	9.4
263.10681	6.1
264.07840	13.4
265.08585	5.5
266.09195	5.5
275.06891	4.3
276.07938	6.1
277.08572	11.8
278.09515	4.9
279.06400	4.6
279.10153	9.1
281.08243	9.4
281.11600	6.0
293.07993	9.4
294.08789	7.3
295.09491	5.2
307.09650	36.9
308.10562	5.9
309.11188	12.3
311.12671	22.3
325.10471	6.8
337.10590	16.7
339.12347	38.1
341.13531	5.8
351.11505	14.7
369.13055	39.0
369.19882	4.8
369.23904	4.8
386.78967	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	369.1185
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.80678	0.7
53.03944	1.1
55.01874	4.7
55.05509	1.7
57.03435	1.0
65.03932	1.8
67.05505	1.5
69.03445	4.7
71.04987	2.7
71.23248	1.5
72.08141	0.8
74.81844	0.6
79.05487	1.5
81.03404	2.3
81.07066	0.9
83.04986	2.3
85.02899	2.7
88.59106	0.7
89.03928	8.6
91.05499	6.0
93.07023	1.2
95.04972	1.0
97.02909	4.6
100.56425	0.6
103.05482	0.7
103.12125	0.7
105.06995	0.9
107.04950	1.6
109.02888	1.4
109.06484	0.8
111.04447	1.8
117.03391	27.9
119.04963	7.1
119.08619	0.8
121.02892	0.8
127.03941	2.3
127.07523	0.8
129.01860	0.7
131.04929	0.8
131.08527	1.3
132.95819	1.0
134.03638	1.6
135.04411	2.9
135.08134	0.7
137.05957	2.1
139.03891	1.4
143.03409	1.7
145.02864	56.8
145.08604	4.4
145.10150	0.9
147.04427	5.9
149.05998	9.0
158.97382	0.8
161.13229	1.1
163.03931	8.2
171.03026	0.9
175.03906	9.8
177.05490	100.0
178.05850	0.9
179.03439	0.7
179.07010	0.8
189.12718	1.3
195.06572	1.4
207.04597	1.2
207.06544	20.2
207.13916	1.3
295.87164	0.6
351.10776	2.9
369.04996	1.0
369.15417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1183
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
53.03954	0.7
57.03451	0.5
63.02354	0.6
64.28963	0.5
67.13980	0.5
69.03416	2.0
71.22538	1.0
74.37409	0.5
79.05530	0.5
81.03419	1.7
81.07063	1.3
82.43688	0.5
84.40318	0.5
85.02921	3.7
87.04475	0.9
89.03935	5.9
91.05510	3.6
93.07049	0.6
97.02906	3.6
97.38403	0.5
105.07056	0.9
107.08592	0.8
109.02882	0.9
109.10127	0.8
111.04453	0.7
115.03941	0.7
117.03388	23.2
119.04966	3.7
119.08576	0.6
121.10152	1.2
123.11704	1.7
124.98438	0.5
127.03951	1.1
133.10161	0.9
134.03603	2.0
135.04430	1.4
137.05984	1.4
139.03929	4.5
140.82021	0.5
145.02853	53.1
147.04431	2.3
147.11708	0.7
149.05988	8.4
149.09644	1.1
150.98029	0.5
151.11171	1.2
156.09283	0.6
159.08029	0.8
163.03912	0.8
167.03404	1.1
171.11740	0.6
174.10484	1.3
175.03920	4.8
177.05484	100.0
178.05815	1.4
189.12770	4.3
191.14268	0.6
195.06589	1.4
207.06548	8.5
207.13847	3.3
351.18109	1.0
369.11700	0.6
369.19131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
56.23856	0.3
61.02921	1.2
69.03446	2.4
70.93494	0.7
81.03417	1.3
84.17003	0.3
85.02914	6.2
86.65268	0.3
91.03955	0.6
97.02905	2.1
104.05031	0.3
109.02895	0.6
127.03924	1.1
132.04459	7.8
132.12486	0.3
145.04942	1.5
160.03850	1.6
163.03932	0.9
173.27258	0.4
178.05006	66.8
179.05388	1.2
188.03450	0.5
206.04498	100.0
207.04808	1.4
368.09848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2845
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.03950	3.0
53.77398	2.4
55.05514	18.0
57.03444	21.9
57.07076	5.1
67.05513	57.6
69.06798	2.1
69.07076	22.8
71.05017	3.5
71.08629	2.2
71.50007	2.9
78.49542	2.5
79.05492	19.6
81.06597	3.5
81.07059	69.5
83.04990	4.3
83.08627	19.1
85.06535	9.5
86.95390	2.3
91.05477	10.7
93.07053	23.1
94.44800	2.7
95.04990	4.4
95.08614	69.1
97.06509	5.8
97.10166	12.7
99.04484	6.0
105.07026	9.6
107.05001	2.5
107.08602	16.7
109.09393	2.9
109.10155	45.6
111.08089	4.3
111.11716	4.1
117.06991	3.6
119.08574	12.7
121.10168	16.3
121.54308	2.0
123.11717	14.6
131.08601	6.4
133.10132	9.6
135.11700	14.0
137.13229	6.4
139.11159	2.4
141.06892	2.3
143.08577	2.7
145.10130	9.0
147.11690	6.6
149.13266	7.3
157.10100	4.3
159.11720	5.4
161.13255	4.3
165.12828	2.4
175.14957	3.0
181.10092	2.3
185.13211	2.5
187.14850	3.1
201.16394	2.9
235.20628	3.1
251.23741	11.0
261.25845	4.5
271.24103	3.0
275.20135	4.2
279.26785	8.3
289.25269	10.6
307.26331	100.0
308.26483	3.4
310.42618	2.2
325.27255	22.9
334.01468	2.7
367.25009	8.4
367.29361	6.9
383.79153	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72355	2.6
52.82925	2.5
53.03946	6.5
53.22925	2.6
55.01875	3.5
55.05518	23.6
57.07068	7.6
59.04987	3.7
65.03940	3.7
66.04980	2.7
67.05514	46.3
69.03420	5.0
69.07075	24.6
69.70964	2.7
70.06049	8.9
71.04994	4.9
72.57327	2.5
77.03948	3.5
78.99223	2.8
79.05499	37.2
81.07063	53.5
82.78704	2.2
83.04964	3.3
83.08607	10.3
85.06551	6.3
91.05488	55.5
93.07052	81.5
95.04977	37.8
95.08067	5.1
95.08623	68.1
97.06527	11.0
97.10197	3.6
103.05508	4.4
105.07041	100.0
107.04970	3.1
107.08608	56.7
109.06517	15.3
109.10165	41.5
111.08103	4.7
115.05464	4.5
116.06220	3.3
117.07026	18.8
119.08592	91.1
121.06516	11.5
121.10155	48.0
123.08060	7.3
123.11702	15.3
127.77772	2.8
128.06224	18.5
129.07018	17.9
130.07777	12.2
131.08580	56.8
133.10153	61.4
135.08101	16.2
135.11713	22.4
137.09599	6.6
137.13228	3.1
139.11247	3.0
141.07042	5.7
142.07796	21.8
143.08592	45.6
144.09338	12.3
145.06523	5.0
145.10143	61.7
146.07344	6.5
146.10622	2.6
147.08083	9.8
147.11702	27.0
149.09636	14.4
149.13280	8.2
153.12656	3.3
155.08556	16.5
156.09354	17.9
157.10144	55.5
158.10892	3.7
159.08058	6.6
159.11717	39.3
160.12566	3.1
161.09625	44.3
161.13289	11.4
163.11211	4.2
163.14789	4.3
165.06975	6.3
167.08580	8.0
168.09346	6.3
169.10098	18.9
170.10957	7.4
171.11732	30.0
172.12469	3.5
173.09627	9.0
173.13263	24.7
175.11168	9.1
175.14845	22.3
179.08577	9.4
180.09406	4.1
181.10129	12.0
182.10880	7.8
183.11729	24.0
185.09555	5.2
185.13307	15.9
186.14130	3.9
187.11307	3.7
187.14799	13.5
189.12721	4.9
193.04851	2.8
193.10164	3.7
194.10883	7.4
195.11725	12.3
196.12448	3.9
197.13271	19.0
199.11119	4.5
199.14818	16.1
201.12804	6.3
201.16342	8.1
203.14267	3.8
209.13277	21.3
210.13998	3.5
211.14880	7.5
212.11961	3.1
213.12759	6.0
213.16440	5.5
221.13213	4.3
223.14784	7.3
225.16415	5.5
227.14369	19.1
227.17921	3.0
228.14488	4.0
235.14900	3.4
237.16537	5.5
239.17946	6.7
249.16440	3.9
251.18001	4.2
253.19672	4.8
255.17479	9.5
265.19516	5.9
269.19086	4.8
275.17865	3.8
283.20422	2.9
349.25259	7.5
367.26202	13.8
367.30096	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	367.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80416	0.2
62.64008	0.2
70.14339	0.5
70.14754	0.6
71.46516	0.2
74.94862	0.2
75.11878	0.2
77.17480	0.2
80.03005	0.2
82.99874	0.5
94.99161	0.2
98.21474	0.3
98.97603	0.3
100.26015	0.2
101.00287	0.4
101.00893	4.3
112.76695	0.2
116.98811	0.3
119.01933	5.7
125.72377	0.2
129.28235	0.2
134.99870	0.5
137.02945	0.7
140.98795	1.3
158.99898	3.2
175.03050	0.4
177.00961	15.4
178.01064	0.4
182.99892	1.1
199.03053	0.3
201.00964	3.7
216.98897	0.4
217.04108	3.3
217.99054	0.3
219.02022	21.5
220.02106	0.9
225.00896	2.6
234.00772	0.3
235.00009	0.3
236.00179	0.5
240.98978	0.5
241.99121	0.6
242.99434	0.5
243.02007	10.3
244.02051	0.4
253.01358	0.2
259.00073	1.5
260.00156	1.7
261.03079	100.0
262.03214	3.0
263.03186	0.6
277.01050	0.5
278.01212	0.7
279.00876	0.3
283.00027	2.1
284.00085	3.8
284.04736	1.4
284.99786	1.0
301.01035	2.4
302.01166	4.7
303.00916	1.4
304.00815	0.2
325.01328	0.3
326.01053	0.5
343.01929	0.7
344.02240	2.2
362.03186	0.3
363.51172	0.3
364.01001	0.3
364.51248	0.3
367.02255	0.7
373.01700	0.2
380.85596	0.2
385.03201	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	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94339	1.8
53.03943	6.5
55.01866	8.1
55.05505	3.1
55.48078	1.9
57.03429	8.8
61.02919	6.3
69.03436	36.7
69.91373	5.0
69.91764	5.5
71.05000	5.7
73.02919	9.1
81.03423	28.0
83.01348	2.9
83.08651	2.1
85.02911	100.0
85.40079	2.1
87.00839	48.8
90.48222	1.9
95.08610	2.4
97.02903	32.0
98.21432	3.5
99.04461	12.5
100.64198	2.1
105.01875	62.1
108.04488	4.3
108.75789	2.5
109.02879	27.9
110.02306	2.1
110.07169	3.2
117.01858	3.4
117.10812	2.2
126.05485	1.9
127.03930	67.8
129.01854	5.2
145.04962	30.0
147.02855	2.4
159.02890	16.3
189.03920	2.3
209.11748	3.5
231.05017	18.3
249.06129	4.7
278.67834	2.2
295.11789	6.5
366.13480	2.5
379.91229	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01875	4.7
55.05280	2.7
55.05517	26.2
57.03445	11.6
57.07067	2.4
60.33395	1.9
67.05234	2.2
67.05512	22.8
69.03426	13.1
69.07075	53.4
69.32230	6.1
69.32651	12.4
70.87133	2.3
71.93355	2.1
73.55531	2.3
79.05499	21.8
81.03429	4.9
81.07066	23.9
83.08624	6.1
91.05484	10.5
93.07055	18.0
95.04953	5.1
95.08628	15.6
97.02901	14.4
97.06535	3.0
97.10182	14.4
105.07019	9.2
107.04976	4.9
107.08586	15.7
109.06525	2.4
109.10156	7.9
117.07006	6.0
119.08611	7.8
121.06545	3.3
121.10155	5.6
123.08038	3.3
125.09625	11.1
131.08556	5.2
133.10149	4.0
135.08037	3.6
137.09637	4.7
142.07741	2.3
143.08556	4.3
145.10107	3.2
147.08043	3.7
147.11711	3.7
149.13232	3.2
157.10187	2.5
159.11708	6.0
161.09784	2.4
161.33704	1.9
171.11795	2.5
185.04289	2.7
189.11227	7.2
203.05315	5.5
205.12215	3.7
223.13292	25.9
231.34872	2.5
242.03259	2.3
273.18488	9.8
291.19562	100.0
292.20139	2.4
300.03705	2.4
365.10669	12.2
365.23267	27.7
365.28183	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	365.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.7
55.01874	10.6
55.05507	10.9
57.03436	8.4
57.48771	4.2
62.10006	3.0
67.05507	16.5
68.99797	7.7
69.03088	5.5
69.03434	67.4
69.03815	4.5
71.04988	10.7
71.49294	6.1
79.05499	25.4
81.03420	38.1
81.07061	50.0
83.04977	11.2
85.02907	25.1
87.00842	11.7
89.03883	3.9
91.05489	40.2
93.07048	98.5
95.04981	20.8
95.08611	29.2
97.02914	20.8
97.06523	8.1
99.04456	7.8
103.05455	8.6
105.07045	73.4
107.04960	9.2
107.08604	100.0
109.02867	7.6
109.06559	17.3
109.10163	8.2
111.04455	9.0
115.03952	5.7
115.05458	7.7
117.07030	17.9
119.04960	5.0
119.08589	50.0
121.06505	17.0
121.10130	16.7
123.04435	8.4
123.08076	18.8
127.03935	9.2
128.06250	6.8
129.01804	4.9
129.07010	15.1
131.04922	4.3
131.08565	27.7
133.06509	11.1
133.10126	33.7
135.04399	6.7
135.08070	10.6
135.11702	60.6
137.05972	21.7
141.07037	6.5
142.07755	10.1
143.08612	18.6
144.09367	6.1
145.06548	8.7
145.10130	51.0
147.08063	12.2
147.11687	35.8
149.09634	5.1
149.13206	4.7
151.07547	4.4
151.11218	7.7
153.05499	5.7
153.06955	3.9
155.08601	9.8
156.09322	5.1
157.10138	16.1
159.08057	12.6
159.11720	21.4
161.05986	20.2
161.09613	11.5
161.13258	5.3
163.11186	49.4
165.12753	9.7
167.06964	4.8
167.08566	3.8
169.10130	10.1
171.08049	5.0
171.11697	15.8
173.09624	12.6
173.13203	5.4
175.07614	4.8
175.11176	20.7
177.09232	5.3
177.12744	10.2
182.10898	6.0
183.11597	6.1
185.09645	10.1
187.07648	4.5
187.11157	11.4
189.12782	13.9
191.10634	5.7
193.12286	19.2
197.13345	10.8
199.07518	4.8
201.09038	6.2
201.12715	8.0
203.10643	6.4
205.12251	3.7
211.07593	6.0
215.14267	13.9
219.13808	4.3
225.12732	9.3
232.85629	3.3
233.15369	6.5
241.08711	4.4
243.13843	46.0
255.08031	4.0
261.14890	100.0
272.08289	4.5
276.24915	3.4
279.15970	4.9
282.35953	3.9
289.08377	6.0
294.08920	4.0
301.08255	5.2
315.10138	9.9
317.08066	4.5
321.11359	4.7
321.17044	5.6
332.10559	4.6
335.12735	9.7
347.15460	33.8
365.14441	28.0
365.15399	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44799	0.5
62.32357	0.5
69.99861	1.0
70.00258	1.1
73.05695	0.6
73.22928	0.6
87.66167	0.5
98.21459	0.5
98.29096	0.5
101.00879	1.5
131.01953	0.7
143.01900	1.4
147.27243	0.5
173.02948	0.7
173.53128	0.5
185.04248	23.5
199.70578	0.6
203.05290	49.9
245.05034	3.8
296.50006	0.5
365.10590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.6
55.01872	15.7
55.05508	12.7
57.03444	8.1
61.02927	9.7
65.03941	5.0
67.05506	21.7
68.99793	12.6
69.03434	82.6
70.48438	4.4
71.01421	5.3
71.04982	8.8
71.56084	4.1
73.02912	4.3
79.05494	44.8
81.03427	57.7
81.07055	63.4
83.04975	11.8
85.02924	34.1
87.00829	24.1
91.05479	55.2
93.07050	94.2
95.04974	28.8
95.08613	22.9
97.02890	28.8
97.06512	6.5
99.04445	12.4
100.20550	4.2
102.12362	5.0
103.05462	6.7
105.01893	6.3
105.07043	100.0
105.07719	9.2
107.04976	15.8
107.08600	94.9
107.84443	4.5
109.02878	5.7
109.06528	24.7
109.10158	17.2
111.04457	14.5
115.03921	8.7
115.05447	6.9
117.07010	24.8
119.04990	5.4
119.08585	86.0
119.09384	7.2
121.06548	21.7
121.10159	28.1
123.04447	17.0
123.08063	13.4
123.11695	8.1
125.06013	7.0
125.81388	4.0
127.03925	13.2
128.06204	8.7
129.01790	10.8
129.07004	20.9
131.08572	45.9
133.06499	14.5
133.10156	64.2
135.04404	8.3
135.08041	16.6
135.11708	53.7
137.06044	5.5
137.09608	5.6
139.03740	4.7
141.07013	9.7
142.07736	11.1
143.08620	26.4
144.09343	5.6
145.06485	11.2
145.10124	71.0
147.02844	6.1
147.08063	16.7
147.11711	50.5
149.05965	8.8
149.09624	10.1
151.07625	7.0
153.05519	5.2
155.08562	17.3
156.09372	10.3
157.10109	31.7
159.02905	7.3
159.08081	17.5
159.11684	37.5
161.09648	11.2
161.13223	9.2
163.07538	7.1
163.11186	36.2
165.12721	9.1
169.10173	12.6
171.08109	5.6
171.11702	18.1
173.09581	12.7
173.13260	11.5
175.11205	43.3
177.12900	5.7
181.10133	7.1
182.10846	6.0
183.07968	6.1
183.11711	7.5
185.09628	10.2
187.11229	16.6
189.12753	20.2
193.12241	11.4
197.13342	11.2
199.11267	13.1
201.12766	17.4
207.11736	6.8
215.14337	18.1
217.12209	8.9
219.13712	5.7
225.12769	21.4
231.13843	6.5
233.15405	10.0
243.13777	62.3
243.15880	6.3
261.14871	86.3
279.15729	6.4
347.15054	44.1
365.16061	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72659	2.3
55.01853	2.4
70.02130	2.3
70.06565	3.1
71.49321	2.7
113.72681	2.3
147.04381	5.8
153.01802	3.8
163.03853	5.0
168.07242	2.1
176.35085	2.3
185.04233	60.0
192.22301	2.7
203.03085	15.9
203.05208	9.9
217.66652	2.6
273.51309	2.3
275.78012	2.5
365.08276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15998	5.5
55.01873	20.0
55.05518	14.3
55.56717	5.8
67.05508	31.3
67.50585	6.3
69.07069	21.2
71.05001	7.8
79.05487	15.9
81.07069	87.3
82.88859	5.9
83.04932	11.0
83.08634	9.2
86.09510	6.2
91.05509	32.5
93.07030	14.3
94.73434	5.8
95.08603	22.6
97.06537	12.5
98.03400	5.5
99.12344	5.8
105.07042	48.7
107.08608	25.8
107.09349	6.1
119.08560	47.9
121.10132	23.9
123.11694	38.0
129.07031	7.2
131.08604	6.7
135.32542	7.0
136.27615	7.7
147.11696	96.1
152.34331	5.7
157.10109	8.0
165.12779	55.2
170.04202	5.8
175.11200	13.9
183.13808	6.9
193.12248	24.5
229.14313	32.9
283.15433	14.1
311.14917	100.0
364.25635	11.7
382.87991	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	364.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91038	1.4
54.93933	1.4
55.01871	3.0
57.07076	2.1
67.05510	1.9
69.03430	4.0
69.07040	1.6
70.06600	3.2
71.44808	2.3
71.45156	1.6
72.04517	3.9
73.02894	1.9
78.04708	2.1
81.03419	3.3
85.02909	4.7
85.06541	1.6
90.05572	7.7
93.07070	1.7
95.04941	1.9
97.02930	1.9
98.02419	3.6
109.02898	5.8
112.07642	1.7
113.06033	3.0
116.03477	4.4
123.04444	5.0
124.05204	2.3
124.07584	2.9
127.03928	2.1
127.16628	1.9
142.08717	2.7
145.05016	1.7
147.04436	2.2
152.04666	2.3
153.28201	1.3
158.27034	1.5
160.09708	1.4
163.03922	1.8
167.07048	100.0
174.11195	2.0
181.01851	1.6
184.09698	4.7
199.06117	2.3
199.99005	1.4
202.08702	2.3
202.10710	15.9
217.07217	2.3
220.11855	3.5
234.09752	3.2
263.09006	1.5
328.13953	3.9
346.15051	2.6
364.16422	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
54.40051	0.8
55.05520	5.0
57.07078	10.8
57.82254	0.8
59.04975	1.4
63.12606	0.9
65.08676	0.8
67.05506	6.4
69.07069	5.4
69.91694	3.6
71.08641	6.5
77.03942	1.0
79.05495	5.3
81.07064	11.6
83.08610	2.2
83.10241	0.9
85.06546	3.8
85.10202	1.0
89.06025	4.2
91.05484	3.6
93.07057	4.8
94.64870	0.9
95.04965	1.6
95.08615	12.8
97.06543	1.8
99.08093	2.5
105.07053	2.1
106.32217	0.9
107.08588	5.5
109.06525	20.9
109.10155	3.9
111.08080	1.0
116.10877	0.8
119.08595	4.1
121.10143	2.6
122.07304	3.0
123.08077	31.8
123.11683	2.1
131.08618	1.1
133.08638	1.4
133.10097	2.5
135.08081	4.8
137.09631	2.4
145.10185	1.6
147.11728	1.6
149.09639	1.3
149.13298	1.9
159.11728	1.0
167.14449	0.8
173.13278	0.9
179.14317	100.0
187.89946	1.1
193.15889	3.1
195.12332	1.9
203.87476	1.1
251.04662	4.5
289.25159	1.6
307.10953	2.9
307.22549	1.7
323.54092	1.0
329.44736	0.9
331.26517	4.3
331.30081	1.1
355.89166	1.1
363.28949	83.4
364.29297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2533
Annotation	Di-n-heptyl phthalate
Peak:m/z	Relative Intensity
53.03955	0.4
55.05507	1.1
57.07078	0.4
59.04990	0.4
65.03947	0.3
67.05508	2.0
69.07052	1.0
71.50135	0.4
71.50536	0.5
75.71643	0.3
79.05486	1.6
81.03445	0.3
81.07059	2.9
83.04977	0.5
83.08626	0.6
91.05476	2.4
93.07056	3.7
95.04969	0.9
95.08601	3.7
97.06545	0.6
103.05459	0.5
105.07029	3.3
107.08580	3.9
109.06518	1.2
109.10152	2.2
111.08098	0.4
115.05423	0.3
117.07027	0.8
119.08601	3.9
121.06510	7.5
121.10147	3.4
121.76068	0.3
123.04356	0.4
123.08063	3.8
123.11681	0.8
125.09667	0.5
129.07048	0.6
131.08560	1.5
133.10138	5.7
135.08101	0.4
135.11679	1.4
135.13237	0.3
137.09593	0.9
139.07544	7.2
141.05507	0.3
142.07764	0.4
143.08595	0.9
145.10139	2.8
147.08018	0.4
147.11700	2.8
149.09604	1.3
149.13274	0.8
151.11171	1.0
155.08566	0.6
157.10101	1.4
158.11011	0.3
159.11722	1.6
161.09651	0.4
161.13272	1.1
163.11079	0.3
165.12732	0.5
167.10689	0.6
169.10144	1.3
171.11685	0.8
173.13272	1.2
175.11240	0.8
175.14792	0.4
177.12750	0.7
179.08592	0.3
181.10162	0.5
183.11719	1.0
185.13281	0.8
187.14833	1.8
189.16348	0.6
195.11731	0.9
197.13277	0.8
199.14851	0.7
201.12729	0.3
209.13223	0.8
211.14766	0.8
213.16412	0.5
223.14874	0.4
225.16434	0.9
227.14444	0.4
235.14952	0.4
237.16420	0.4
239.17908	0.3
249.16359	0.4
253.15956	0.6
253.19684	0.3
345.25485	0.5
363.25327	100.0
364.25650	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2529
Annotation	Di-n-heptyl phthalate
Peak:m/z	Relative Intensity
53.03943	1.5
55.01857	0.7
55.05499	3.2
57.03435	1.2
57.07075	1.1
61.75676	0.7
67.05507	6.0
69.07061	3.5
79.05498	6.0
81.03407	0.8
81.07060	7.3
82.80724	0.7
83.04974	1.5
83.08617	2.1
83.37511	0.8
91.05482	7.4
93.07044	12.2
95.04964	2.6
95.08611	8.7
97.06543	1.7
99.08048	0.8
105.07038	7.4
107.04961	1.8
107.08593	11.4
109.06508	2.0
109.10152	11.1
110.11884	0.9
111.08080	2.7
117.07021	2.8
119.08590	15.1
121.06520	1.8
121.10152	7.8
123.08072	1.4
123.11701	4.2
125.06042	1.3
125.09602	0.8
127.07545	1.6
129.07008	1.2
131.08578	3.9
133.06618	0.8
133.10127	12.5
135.08063	2.2
135.11685	3.9
137.09592	1.8
139.07555	10.0
143.08574	2.2
145.10109	5.6
147.11655	4.7
149.09685	0.8
149.13264	2.2
151.07503	1.6
151.11194	2.4
153.09094	2.2
155.08568	1.2
156.09427	1.4
157.10100	4.1
159.11736	5.3
159.94257	0.9
161.09563	1.2
161.13258	2.9
163.07552	1.0
163.11191	1.6
163.14828	0.9
167.10715	1.6
169.02600	1.3
169.10127	1.8
171.11671	4.2
173.13234	4.6
175.11174	1.2
175.14906	1.1
177.12776	1.3
177.16354	0.8
183.11739	1.8
185.13287	2.4
187.14827	3.6
189.12718	1.3
189.16418	1.5
191.14220	1.0
193.10130	1.0
195.13774	0.8
197.13283	2.0
199.14851	1.1
201.16333	1.6
205.15907	3.9
207.11699	1.2
207.13794	1.5
209.13316	1.3
211.14838	1.5
213.16296	1.2
215.14374	1.3
219.13818	1.2
223.14833	1.2
223.16911	1.3
225.16364	1.1
237.16382	0.8
243.13945	1.3
247.14668	1.0
271.16919	0.8
299.23190	1.1
309.21982	0.9
327.23093	2.1
342.94095	0.9
345.25488	1.2
363.25354	100.0
364.21216	0.8
364.25595	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88281	2.1
56.96568	17.1
57.03428	4.4
61.02926	6.2
68.98295	2.2
69.03413	6.5
70.30761	3.7
70.31130	6.9
70.98103	8.3
73.02908	2.4
82.99846	6.7
84.96024	6.1
85.02890	10.3
86.09675	3.1
89.00894	2.6
97.01424	2.7
97.02866	6.4
98.97585	43.5
101.00882	39.0
103.02438	3.3
109.01344	2.4
109.02895	3.0
110.01279	2.8
110.97598	14.6
113.00854	18.3
115.02411	7.9
116.98600	8.2
119.01914	23.2
124.95441	4.0
124.99056	3.1
125.00873	4.5
126.98742	2.7
127.00642	2.2
127.02428	13.0
127.03887	5.6
128.98570	8.7
129.00352	3.3
129.03947	4.8
131.01898	23.3
133.03464	7.0
137.00844	6.8
139.02400	8.5
140.98535	2.6
142.96535	2.7
143.01903	19.2
144.00647	2.7
144.99724	2.7
145.03488	33.9
146.99658	5.9
147.01366	8.4
149.02950	2.9
155.01901	33.3
155.56761	2.0
156.98051	3.7
157.02458	2.8
157.03494	28.6
158.99663	6.5
159.01445	3.7
159.04997	4.3
161.02914	10.2
163.04559	3.8
167.01935	5.6
168.99873	10.5
169.03403	4.3
171.04935	3.5
172.94324	3.2
172.97678	5.2
172.99330	6.2
173.02951	30.8
174.99164	7.8
175.04500	8.4
177.00755	6.8
183.04881	3.3
185.02959	25.0
186.99109	4.1
187.00839	9.0
187.04510	4.9
189.00703	8.3
189.06096	3.0
191.03963	10.9
191.54140	3.1
193.00139	3.8
196.99251	3.8
197.02835	3.0
199.00816	4.1
199.04552	3.3
200.54626	3.5
201.00638	6.6
201.02258	3.1
203.03949	24.6
205.00175	5.7
205.01952	3.0
205.22351	2.4
215.00378	10.8
215.03940	7.4
217.00235	4.4
217.05550	5.4
219.01714	12.0
221.05090	30.9
223.00954	4.1
229.01974	3.6
233.05151	2.6
235.01102	3.1
235.06639	25.6
235.52969	2.5
237.02719	5.7
241.01994	2.6
242.03633	3.2
243.03670	3.0
245.05054	5.8
247.03046	3.7
251.00392	4.6
251.04384	7.7
253.07617	8.9
259.06696	3.4
261.02823	3.7
263.00558	3.9
271.03006	22.8
273.08398	2.6
275.06131	4.0
281.01602	3.1
281.57181	2.9
299.02484	21.5
303.00473	3.0
303.05719	48.1
303.09058	3.5
303.20667	2.8
307.08627	4.5
329.62473	2.6
331.05096	100.0
332.05203	3.2
363.07617	34.1
363.16821	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	362.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59566	2.1
58.44040	2.8
59.43273	2.1
61.02922	2.9
69.03423	3.0
70.74425	2.5
70.80157	4.9
79.67561	2.5
81.03403	2.4
83.44827	2.1
83.83090	2.4
85.02916	28.5
95.45686	2.5
97.02896	7.2
105.07035	18.4
133.06500	43.1
137.05995	100.0
145.04987	5.7
165.09128	41.7
183.10207	29.5
219.10310	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	362.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78785	1.5
57.03423	1.9
58.61728	1.7
69.03418	4.2
69.55906	11.3
77.99889	1.4
84.72258	1.6
85.02912	25.8
97.02879	4.9
105.07038	17.5
109.02879	3.9
127.03930	3.5
133.06505	44.1
134.45227	1.4
137.05991	100.0
145.04974	3.6
163.00365	1.5
165.09131	33.0
180.08690	2.1
183.10184	44.8
221.44218	1.7
221.76482	1.6
358.59216	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74533	1.4
52.76633	1.1
53.03930	1.3
55.01860	1.2
57.03440	2.8
60.04515	1.2
61.02916	1.5
66.77470	1.2
69.03432	6.0
69.59911	7.2
70.06583	1.9
72.08169	1.3
79.05486	1.4
81.03414	2.2
85.02906	23.0
93.07043	1.4
97.02894	5.4
105.07034	17.9
109.02857	2.9
109.06540	1.2
116.07101	2.1
120.08096	3.5
122.03644	2.5
127.03915	2.7
133.06505	40.2
137.05991	100.0
145.04933	3.2
165.09122	30.5
165.10519	1.8
182.55579	1.3
183.08652	2.6
183.10197	34.7
188.15024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18222	1.1
53.79026	1.5
55.01845	1.4
55.05507	5.2
57.87574	1.4
67.05503	16.2
69.07067	4.0
70.68587	2.9
77.48470	1.1
78.76552	1.1
79.05482	7.8
81.07056	15.2
83.08619	2.1
85.06561	1.6
91.05493	10.4
93.07046	21.2
95.04962	3.3
95.08614	26.2
96.71188	1.1
97.06533	3.4
99.08096	1.7
105.07030	15.9
107.04942	1.3
107.08597	18.0
109.06510	10.1
109.10154	27.0
109.10851	2.1
111.08089	7.1
117.07008	1.6
119.08587	29.6
120.14878	1.2
121.06513	4.9
121.10139	20.8
123.08108	5.9
123.10910	1.3
123.11676	6.3
125.09650	5.7
129.07030	1.7
130.07855	1.3
131.08582	7.7
133.10130	26.2
135.08037	2.4
135.11696	6.7
137.09619	100.0
137.13254	2.0
143.08591	4.2
144.09346	1.5
145.10139	15.5
147.11711	10.3
149.09650	1.6
149.13260	4.7
151.11217	3.6
157.10124	5.0
159.11676	19.8
161.13249	10.7
163.11183	6.4
163.14847	2.3
169.10168	1.6
171.11763	3.6
173.13309	7.3
175.14864	3.8
177.16447	2.2
179.14388	1.6
183.11768	2.5
185.13269	2.9
187.14824	7.3
189.16371	11.5
191.17943	2.9
195.11778	1.4
197.13278	2.4
199.14844	4.2
201.16397	21.1
205.16002	1.6
207.17458	5.1
209.13283	1.9
211.14906	2.5
213.16365	4.9
219.17456	5.7
225.16406	2.3
227.17812	1.5
231.17323	1.5
237.16333	1.6
239.18059	2.2
251.17995	2.3
253.15834	1.3
255.21080	3.5
265.19611	1.8
267.20978	3.6
275.17834	1.6
283.20465	1.8
307.24228	7.9
313.22073	1.5
313.25348	5.5
325.25247	30.2
343.26321	53.1
361.27460	15.8
362.32101	1.6
380.35162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
56.59451	2.6
61.33046	2.3
61.86361	2.4
62.64103	2.4
69.72128	2.3
71.49343	5.0
73.15651	2.3
78.04718	3.4
79.05481	15.6
81.07024	3.6
82.60676	2.6
83.04954	3.7
86.58511	2.5
88.14608	2.5
91.05478	27.7
93.07073	15.0
95.04961	7.7
103.05449	10.0
105.07030	12.2
107.04970	33.6
113.00006	5.0
115.05453	7.2
117.07027	6.6
119.04954	5.8
119.08580	3.2
121.06517	25.9
123.04438	9.3
124.05257	3.3
125.06001	5.7
128.06238	10.7
129.07042	25.6
131.04916	11.5
131.08559	10.9
133.02823	6.1
133.06499	8.2
135.08023	6.6
137.05986	24.4
138.06721	2.6
140.04723	2.7
145.06512	7.5
147.04407	6.3
147.08063	3.8
148.05205	4.5
149.06030	6.1
151.03908	5.6
151.07547	19.4
152.04735	5.0
153.05450	10.7
157.06488	17.3
159.08054	3.3
161.05998	41.8
161.09589	15.4
161.77721	2.4
163.07545	21.6
165.05780	2.7
165.06992	14.2
165.09128	8.4
166.06279	11.7
167.07065	68.5
167.08473	6.5
169.02682	2.5
173.06119	2.6
174.06805	13.0
175.07542	9.9
177.06969	2.8
177.09122	11.8
178.07794	4.7
179.07021	7.6
179.08585	6.6
181.05074	3.3
181.06474	4.1
181.06792	5.1
181.08612	100.0
181.10226	5.2
182.07373	3.1
183.07959	2.9
189.07422	5.3
189.09114	76.4
191.08578	3.2
193.06619	3.4
194.07291	5.7
195.08005	6.5
197.06015	4.7
197.09663	8.0
199.07562	4.3
203.10516	3.8
207.08218	5.4
207.10184	20.9
208.08818	5.1
210.06746	4.0
211.07634	6.4
212.08340	4.6
219.08073	6.0
221.05962	4.8
222.06725	6.1
223.07585	10.4
223.11031	3.8
225.09166	19.9
227.07074	5.3
235.07484	3.6
236.08284	3.8
237.09106	3.7
238.06358	3.1
239.07166	5.2
241.08661	3.7
247.07472	3.5
251.06990	6.2
251.10683	8.2
253.08607	16.8
255.06580	5.7
255.10326	4.5
257.09100	2.5
257.11713	18.9
265.08572	4.3
267.06412	3.1
268.07211	3.4
269.08142	4.3
270.08945	3.6
279.10220	7.0
283.09702	15.7
283.13300	8.4
285.11218	35.9
297.11316	3.7
299.12643	2.9
302.11642	4.8
311.12863	6.1
315.12180	18.6
317.13885	17.0
343.15341	8.3
361.16351	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
57.03431	2.2
63.70322	1.9
65.03922	2.4
67.05505	4.8
69.03434	4.4
70.54589	4.3
70.54929	2.6
71.04969	2.3
78.04729	3.2
79.05505	16.0
81.03437	3.4
81.07059	5.6
85.41309	1.9
86.20136	2.0
91.05487	34.2
93.07027	16.2
95.04978	7.8
103.05473	19.1
105.04515	4.0
105.07013	11.4
107.04964	50.4
107.08569	3.0
109.06516	5.7
111.04457	3.9
111.08147	1.9
115.05445	5.5
117.07011	10.8
118.04206	2.4
118.98609	2.3
119.04967	8.7
119.08601	2.8
120.05716	3.7
121.02868	1.8
121.06512	22.6
122.03654	2.2
123.04450	8.8
124.05251	5.0
128.06233	9.0
129.07011	29.1
131.04926	16.1
131.08562	13.9
133.02798	3.8
133.06503	7.0
135.04408	4.8
135.08035	10.7
137.05989	24.4
138.06729	3.4
139.07542	2.2
140.04626	4.0
143.04878	2.0
145.06496	7.3
146.03676	2.6
146.07336	2.6
147.04439	6.2
147.08043	3.9
148.05206	5.1
149.05943	9.6
151.03928	5.9
151.07555	21.4
152.04730	2.3
152.06267	2.0
152.35774	2.1
153.05475	19.2
153.06720	3.3
155.06015	3.3
157.06499	23.9
158.07216	2.5
159.08026	6.0
160.23706	2.0
161.05991	43.2
161.09587	11.6
163.03915	3.2
163.07539	31.4
165.05667	3.5
165.07014	9.1
165.09103	9.7
166.06296	11.6
166.07701	3.2
167.07068	71.7
167.08560	7.8
171.07986	2.8
173.05977	2.3
174.06706	13.8
175.07608	12.6
177.05521	3.0
177.06885	2.6
177.09094	11.3
178.07774	2.5
179.07013	6.1
179.08583	7.4
180.07854	5.3
181.06480	4.7
181.06816	4.4
181.08597	100.0
182.07326	9.0
189.09114	81.0
190.07822	3.9
191.08473	4.0
193.06540	3.5
193.08502	2.4
194.07332	5.1
195.08055	10.4
197.06012	3.4
197.09621	13.2
203.08876	2.2
205.06705	2.8
207.08159	5.2
207.10185	13.1
208.08899	3.5
209.05991	4.2
210.06828	6.4
211.07620	6.8
218.07260	2.5
219.08086	7.1
221.05963	5.1
222.06712	3.5
223.07578	9.3
223.11111	5.1
225.09106	18.0
227.07069	6.8
229.12259	3.8
235.07538	4.3
236.08383	3.8
237.09061	4.7
238.06328	2.4
239.07149	5.0
240.07880	4.4
241.08527	3.3
247.07565	2.4
251.07062	5.8
251.10751	8.5
253.08629	20.7
254.09427	4.9
255.06508	2.7
255.10266	5.8
257.11765	18.7
265.08359	2.2
267.06561	2.7
267.10184	6.0
268.07321	3.7
269.08200	3.0
270.08936	4.5
271.13226	2.3
279.10251	5.3
283.09689	15.5
283.13333	10.6
285.11172	36.2
296.10519	4.3
297.11191	4.0
299.09219	3.2
299.12631	5.2
302.11551	6.0
311.12991	10.5
313.10480	2.3
315.12277	18.5
317.13794	20.3
331.15457	3.9
343.15491	10.0
361.16403	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	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01866	6.1
58.19617	2.4
59.30519	2.4
67.05493	2.9
69.03435	3.6
70.95699	2.7
70.96011	4.0
76.32336	3.0
79.05493	12.5
91.05486	29.0
93.07051	13.9
95.04941	5.2
103.05464	15.8
105.07041	15.4
107.04958	44.6
109.06528	3.5
115.05450	5.9
117.07021	10.5
118.04227	2.4
119.04942	8.9
120.05727	2.7
121.06519	25.8
121.10085	2.4
122.03625	4.1
123.04420	7.1
124.05229	4.8
128.06219	11.7
129.06989	26.5
131.04971	13.1
131.05809	3.2
131.08548	10.7
133.02863	26.8
133.06479	6.6
135.04372	3.5
135.08028	10.0
137.05986	65.4
139.07518	3.1
145.06453	6.7
147.04390	5.5
149.05986	13.8
149.09570	2.6
151.07547	36.7
152.04691	5.5
153.05499	14.6
157.06531	19.3
159.08022	3.5
161.05980	37.0
161.09598	13.1
163.07550	29.7
165.05478	8.7
165.06992	10.0
165.09109	10.5
166.06294	8.9
167.07051	70.3
167.08438	4.7
174.06760	12.3
175.07553	10.7
177.05495	5.0
177.09146	14.1
178.07756	3.4
179.07077	6.5
179.08514	5.4
179.10738	16.6
180.07828	5.2
181.08600	100.0
182.07312	10.7
189.09117	75.3
191.06989	2.9
191.08606	6.4
193.06564	3.9
193.08604	7.9
193.10202	3.1
194.07198	4.0
195.08076	12.7
197.09607	10.5
207.08241	4.3
207.10141	16.3
208.25908	3.0
209.05812	3.7
209.11667	2.9
210.06769	5.8
211.07631	3.3
211.09589	2.7
214.99313	2.8
221.05952	7.1
223.07515	8.8
223.11200	3.6
224.08296	3.1
225.05431	3.2
225.09068	16.7
227.06984	7.7
227.10756	3.1
235.07568	5.1
236.08275	5.1
237.09116	4.9
238.06209	3.3
239.06831	5.2
240.07790	4.8
251.07019	7.0
253.08676	14.0
255.10152	6.3
257.11728	19.2
265.08463	3.2
267.10233	3.9
269.07794	4.2
270.08792	5.6
279.09995	5.7
283.09595	12.8
283.13177	6.7
285.08124	4.7
285.11240	38.0
299.09058	4.7
299.12616	2.7
302.11377	4.0
311.12668	9.6
315.12405	17.3
317.13785	20.7
331.15274	2.8
343.15347	8.3
361.16653	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.0
58.45682	2.6
65.03922	4.9
69.15459	29.1
71.61728	3.1
78.04676	2.8
79.05482	12.6
90.01833	2.8
91.05491	29.1
93.07014	10.6
94.12848	2.8
95.04981	6.4
103.05443	9.3
105.07025	14.7
107.04974	36.1
115.05444	6.7
117.07019	8.9
119.04945	8.2
121.06495	27.8
123.04402	10.6
124.05202	4.9
128.06201	11.5
129.07005	38.6
131.04951	13.7
131.08571	13.5
133.02827	4.0
133.06506	6.1
135.08031	6.4
137.06018	20.2
140.89432	2.9
145.06453	8.9
147.04390	7.7
147.08054	4.8
148.05234	4.0
149.05927	10.5
151.07582	22.9
152.04573	2.9
153.05446	15.5
157.06490	19.9
158.07286	2.9
161.05995	38.6
161.09642	12.9
163.07559	19.3
165.07007	10.2
165.09125	14.0
166.06248	12.4
166.07515	4.2
167.07060	81.5
167.08463	5.9
174.06789	14.0
175.07553	9.6
177.07228	3.5
177.09079	11.3
178.07751	5.3
179.06967	4.4
179.08505	6.1
181.06328	4.9
181.06769	4.7
181.08598	100.0
182.07275	6.5
183.07999	4.8
187.07597	3.2
189.09117	80.9
191.08623	4.1
191.10655	2.8
193.06569	5.1
194.07195	8.6
195.08072	12.2
197.05962	3.3
197.09599	14.2
199.07533	6.1
207.08170	5.9
207.10164	13.7
208.08762	5.8
209.05881	3.7
210.06776	4.5
211.07469	5.3
219.08043	5.3
221.05844	2.9
222.06689	4.6
223.07555	8.9
223.11217	7.7
225.05615	4.2
225.09140	24.0
227.07001	8.8
236.08252	3.4
237.09145	4.7
239.07069	5.8
239.10689	3.1
240.07733	5.1
241.08574	4.7
247.07507	3.9
249.09125	3.0
251.06982	5.6
251.10646	9.7
253.08588	17.9
255.10123	6.7
257.11685	19.7
267.10309	4.9
268.07242	3.3
269.07858	5.2
270.08813	9.1
271.13336	3.6
274.77100	2.9
279.10059	6.6
281.08130	3.7
283.09604	18.8
283.13187	10.7
285.11206	43.2
296.10352	3.5
297.11237	4.0
299.09286	4.9
299.12494	3.7
302.11279	5.9
311.12717	9.4
315.11899	22.1
315.15158	3.0
317.13809	19.4
329.13333	14.1
331.15353	3.5
333.15884	3.6
343.15201	12.8
361.15936	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	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39973	1.8
65.03952	2.6
67.05476	2.1
75.74183	2.0
77.03933	1.8
78.04705	3.6
79.05495	15.5
81.03448	2.2
81.07051	2.1
88.51562	2.1
91.05484	25.1
93.07032	11.4
95.04966	5.2
103.04850	2.9
103.05450	15.3
105.07021	11.5
106.04156	1.9
107.04960	35.7
111.04487	2.2
115.05464	4.9
117.05426	2.1
117.07005	7.2
119.04960	7.8
120.05733	4.2
121.06527	21.4
123.04437	7.7
124.05222	6.8
125.05985	2.5
125.15891	2.1
128.06239	10.5
129.07027	28.4
131.04930	8.7
131.08574	13.5
133.02905	2.2
133.06522	4.8
135.04489	3.6
135.08058	6.7
136.05202	2.8
137.05992	17.6
140.04701	2.2
145.06497	9.0
147.04428	3.8
147.08073	4.0
148.05208	5.1
149.05988	8.0
151.03986	4.3
151.07547	19.3
152.04713	3.2
152.06161	2.5
153.05493	13.4
153.06590	2.2
155.07162	2.2
157.06514	16.8
158.07213	3.2
159.08049	3.4
161.05962	33.5
161.09657	7.8
163.07578	19.9
165.05621	2.1
165.07011	8.8
165.09158	8.5
166.06282	11.1
166.07666	3.6
167.07066	78.8
167.08533	5.5
168.55687	1.7
173.05882	2.2
174.06749	14.6
175.07521	9.3
175.58649	1.8
177.05405	2.0
177.06888	2.3
177.09082	11.5
178.07765	2.9
179.07028	5.2
179.08571	4.7
181.05107	2.9
181.06583	4.9
181.08598	100.0
182.07240	7.2
183.08076	4.1
187.07550	2.4
189.09117	74.7
191.08647	4.4
191.10638	2.5
192.09030	2.1
193.06621	3.5
193.08572	2.5
194.07281	3.7
195.08057	12.4
197.09680	9.2
205.06555	2.0
207.08078	5.2
207.10191	11.4
208.08870	4.7
209.06021	2.6
210.06755	7.1
211.07512	4.0
212.08371	2.5
219.08098	6.2
221.06047	6.6
221.09523	2.2
222.06870	2.6
223.07549	9.5
223.11250	3.7
224.08362	2.6
225.09129	18.5
227.06995	5.9
229.12317	3.0
233.09770	3.6
235.07487	5.2
236.08270	4.5
237.09140	3.7
239.06961	6.1
239.10715	2.1
240.07780	5.5
241.08514	4.1
242.09436	1.9
249.09085	2.4
251.07137	5.4
251.10596	6.7
253.08591	17.8
254.09148	3.7
255.06609	3.4
255.10037	6.5
257.11777	19.2
265.08624	3.7
267.06354	2.6
267.10141	4.7
268.07385	2.3
269.08096	2.6
270.08740	6.3
271.09210	2.2
271.13184	2.1
279.10074	4.8
283.09662	12.5
283.13324	9.2
285.07947	2.8
285.11197	40.3
297.11188	4.6
299.09250	3.8
299.12784	7.1
301.14117	3.0
302.11267	2.9
311.12677	6.6
315.12033	21.4
315.15149	3.6
317.13846	20.8
328.12296	2.2
329.13165	10.4
331.15219	3.8
333.16245	2.1
343.15381	11.2
361.16202	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.1
55.05507	50.1
55.76089	6.5
57.03443	11.1
59.05010	38.0
65.70512	5.7
67.05509	47.9
69.03423	16.1
69.07078	100.0
69.14666	73.8
71.05003	46.4
71.98069	5.8
79.05509	34.9
81.03415	21.7
81.07058	45.0
83.04964	13.2
83.08646	38.0
85.06551	9.6
91.05471	21.2
93.07038	27.4
95.04967	20.1
95.08598	23.9
97.06540	49.5
97.10172	33.7
98.21548	12.1
104.04819	5.8
105.07030	17.2
107.08580	19.0
109.06528	9.7
115.07594	15.1
119.08610	7.2
121.10175	14.0
121.49467	6.0
125.09652	29.0
129.74297	5.9
131.08580	12.2
133.10167	9.5
135.08031	6.7
145.10135	8.3
159.11736	7.4
177.12648	10.2
186.69812	6.2
189.11201	13.0
223.13219	9.7
237.14793	9.1
279.45557	6.7
303.06445	6.0
307.71152	6.2
327.01236	7.7
360.26028	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	360.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81673	7.8
53.03936	12.3
55.01873	12.7
55.02290	7.8
55.05518	83.8
57.03415	10.8
59.05001	73.3
60.43633	7.5
62.12753	7.5
63.72259	8.7
64.99848	8.5
67.05505	89.1
69.03413	12.0
69.07079	100.0
69.33656	18.4
69.34084	48.9
71.05003	70.6
73.02899	8.6
73.42265	7.6
79.05496	54.8
79.43687	8.0
81.03413	21.6
81.07054	59.4
83.04964	20.9
83.08619	54.5
85.06538	8.3
91.05486	39.6
93.07076	43.6
93.07584	6.7
94.02399	7.2
94.21610	8.3
95.04961	24.4
95.08604	21.8
97.06550	50.2
97.10175	83.2
104.23783	7.3
105.07018	29.8
107.04917	12.1
107.08580	28.7
108.67575	7.9
109.06509	21.5
109.10150	18.0
115.07555	41.5
117.07011	17.1
119.08564	21.3
121.06535	11.3
121.10156	17.1
125.09644	62.9
131.08557	25.1
133.06442	14.3
133.10075	9.3
135.08061	15.3
137.09618	8.9
145.10078	7.8
161.09618	7.4
189.11201	28.7
222.14848	10.4
223.13222	23.8
230.15033	7.4
240.84944	8.2
273.18448	11.9
360.23087	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	360.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04517	4.1
65.11738	2.3
67.05447	2.4
69.03422	5.7
70.06593	5.0
71.48750	3.1
72.08148	3.2
79.05495	3.9
85.02893	11.0
86.09692	10.5
91.05474	2.7
103.05466	40.5
107.04954	4.6
116.07070	2.5
117.03384	5.2
117.07005	4.2
119.04929	3.4
121.06504	3.9
123.04430	12.7
127.03956	4.5
131.04933	100.0
135.04402	8.8
137.05984	3.1
145.02802	6.9
145.05110	2.6
145.06499	3.5
147.04393	10.0
162.14658	2.1
163.03915	48.6
163.07545	46.2
165.05476	4.3
173.05981	6.7
175.07561	2.8
177.09091	5.5
180.10213	2.5
181.04932	14.5
190.08633	7.6
191.07033	33.0
193.39983	2.8
198.11247	2.7
208.09689	62.2
292.49390	2.4
315.01859	2.5
360.14383	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	360.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03426	1.6
67.05495	0.7
68.99798	1.4
69.03442	0.6
69.66431	3.2
70.06588	2.6
71.01350	0.4
79.05489	1.4
81.07037	1.5
83.01346	0.7
85.02911	0.8
86.09705	1.7
91.05483	2.2
93.07039	0.9
95.04971	3.1
95.08582	0.8
96.75871	0.4
97.02866	0.6
98.76707	0.5
103.05483	0.7
105.07007	1.4
107.04951	1.7
107.08603	0.8
109.02884	0.7
115.05455	1.0
117.07034	3.6
119.04978	2.6
121.06528	4.1
123.04438	21.7
131.04959	2.8
135.04430	2.0
135.08052	3.6
136.07579	1.7
137.05972	1.9
145.06490	3.0
147.04414	8.7
149.05974	2.9
151.03909	1.5
157.06438	0.7
161.06010	2.1
163.03899	1.8
163.07555	14.9
165.05507	4.9
167.07077	0.8
173.05995	6.5
175.07547	0.7
176.04631	0.7
179.07027	5.7
185.06015	0.8
185.16364	0.5
187.07568	0.8
188.07079	0.9
190.08656	13.0
191.07042	60.7
203.07079	2.7
208.09702	100.0
209.10033	1.3
220.09747	2.2
325.10727	4.7
334.28317	0.5
342.13446	3.7
342.22635	0.6
343.11768	3.8
349.60559	0.5
360.14438	25.2
361.14890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56709	0.9
60.04523	1.0
61.02911	1.1
61.89709	1.1
63.92849	0.9
65.03931	1.2
69.95831	4.7
70.06587	2.1
85.02896	2.7
91.05476	1.9
121.02860	3.5
128.87231	1.1
129.61949	1.0
133.02876	4.1
135.04465	2.7
137.06001	2.6
149.02348	100.0
153.05443	1.8
161.06030	1.5
163.03909	68.9
164.04192	1.2
181.04961	27.5
220.08324	1.1
241.93694	1.0
275.38043	1.0
298.11493	2.2
312.13327	1.1
328.12653	2.4
342.14590	1.2
360.15036	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03422	1.2
67.05495	0.6
68.99783	1.6
70.06602	2.9
70.55424	1.6
72.08137	0.9
79.05494	0.9
81.07046	1.3
83.01323	1.0
86.09690	1.1
91.05467	1.7
93.07021	1.1
95.04958	2.0
95.08580	0.6
105.07013	1.4
107.04948	1.5
107.08581	0.8
115.05476	0.8
117.07016	2.8
119.05011	2.3
121.06520	3.9
122.91022	0.4
123.04440	17.5
124.14664	0.5
135.04436	2.3
135.08047	3.3
136.07614	2.3
137.05965	1.0
145.06511	3.3
147.04424	8.7
147.07999	0.6
149.06000	2.9
151.03925	1.8
153.05434	0.5
157.06528	0.8
161.05991	1.9
163.03888	1.7
163.07561	14.4
165.05495	4.1
167.07043	1.0
173.06001	7.2
175.07616	1.1
176.04742	0.9
177.05434	0.8
179.07040	4.4
185.16486	0.6
190.08672	12.1
191.07053	58.1
193.58069	0.5
203.06993	2.0
207.06520	0.5
208.09712	100.0
209.10037	0.6
220.09718	1.3
325.10806	4.8
342.13312	3.0
343.11783	4.1
360.14456	22.6
376.95438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2581
Annotation	16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
50.43737	0.6
53.23702	0.7
55.01865	1.7
55.05506	2.7
57.07074	0.9
67.05505	4.1
69.07080	2.9
69.89572	3.2
71.04973	1.1
73.06714	0.6
77.02937	0.6
79.05482	2.5
81.03408	0.6
81.07059	5.7
83.04987	5.1
83.08617	1.7
85.06543	0.7
85.81255	0.6
91.05471	4.7
91.26837	0.6
93.07044	6.9
95.04995	1.3
95.08609	7.7
97.06544	8.9
99.08083	1.2
105.07035	10.8
107.04962	1.0
107.08592	8.1
109.06521	2.4
109.10162	7.4
111.08078	3.0
117.07039	2.1
119.08581	13.9
121.06548	2.9
121.10140	7.9
123.08063	2.4
123.11711	2.7
125.09612	1.2
128.06256	1.1
129.07004	2.7
131.08572	5.8
133.06474	1.7
133.10139	11.3
133.16660	0.7
135.08038	2.3
135.11700	3.4
137.09622	5.5
141.06984	1.1
142.07788	0.8
143.08560	5.7
145.10117	9.9
147.08038	7.0
147.11691	7.2
149.09619	6.4
149.13261	1.5
151.11174	1.9
155.08542	1.9
156.09344	2.7
157.10150	4.9
158.10866	0.7
159.08070	1.2
159.11697	6.3
160.08894	0.7
161.09645	6.1
161.13211	3.7
163.11200	4.8
163.14859	1.0
169.10150	2.8
171.11691	8.9
173.13295	2.7
175.11191	3.5
175.14847	2.9
177.12807	2.7
177.16362	2.3
180.54243	0.6
181.10226	0.7
183.11722	1.5
185.13254	3.2
187.11198	1.2
187.14845	6.9
189.12737	15.1
191.14240	1.3
195.11751	1.1
197.13237	2.3
199.14832	2.4
201.12637	0.7
203.14363	4.3
205.15889	13.8
209.13295	1.2
211.14850	1.7
213.16441	1.5
215.14412	1.6
217.15898	1.2
221.13232	1.0
223.14844	1.4
223.16911	2.1
225.16447	1.0
229.15919	0.9
234.39252	0.7
235.14705	0.9
237.16429	0.7
239.14293	0.8
241.15993	0.6
242.16725	0.9
243.17380	1.4
249.16469	1.2
253.16014	1.4
265.19620	1.3
267.17731	1.4
283.20581	2.2
301.21719	0.9
305.22537	1.8
323.23730	9.1
331.96759	0.6
341.24777	12.2
359.25821	100.0
360.26270	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	359.2579
Annotation	16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
53.03930	2.1
55.01861	2.2
55.05513	6.8
57.07069	2.7
59.05008	1.5
59.20064	1.6
67.05510	8.1
69.03428	2.1
69.07064	8.0
71.08574	1.8
71.29345	3.8
73.26003	1.6
79.05522	7.8
81.03394	1.5
81.07063	13.6
83.04984	22.3
83.08610	3.8
91.05487	11.7
93.07057	16.3
95.04960	4.4
95.08626	17.6
97.06535	18.7
99.40956	1.5
100.27743	1.9
105.07049	16.3
107.04969	3.9
107.08600	24.7
109.06569	8.4
109.10149	15.5
111.08091	3.2
117.07034	2.1
119.08588	28.4
121.06498	5.1
121.10142	20.4
123.08108	10.6
123.11721	5.7
129.06993	5.3
131.08580	8.6
132.59741	1.5
133.06485	4.5
133.10152	19.7
135.08038	6.4
135.11664	9.5
137.05949	1.7
137.09637	14.4
139.11223	3.8
140.45630	1.5
142.07837	2.4
143.08614	7.7
145.10127	17.2
147.08052	8.5
147.11700	11.4
149.09630	6.7
149.13290	3.1
151.11183	7.4
156.09424	2.4
157.10129	9.5
159.08025	2.0
159.11699	21.1
161.09653	6.3
161.13255	6.0
163.11214	8.6
163.14873	2.1
164.91928	2.1
165.12747	4.1
169.10124	5.6
170.10873	2.2
171.11691	15.5
173.09648	3.4
173.13268	9.2
175.11224	7.2
175.14757	3.8
177.12737	8.8
181.10172	2.3
183.11681	6.1
185.13231	13.7
187.11217	7.4
187.14879	6.2
189.12743	28.7
191.14413	3.9
195.11765	2.6
195.13869	4.5
195.87672	1.5
197.13269	8.5
199.14862	5.5
201.12730	2.5
203.14301	12.1
205.15918	4.8
209.13416	3.6
213.12761	4.0
213.16389	2.0
215.14334	6.0
217.15883	2.0
221.15475	2.4
223.14780	4.7
225.16426	2.2
227.14386	1.7
227.18031	2.1
229.15947	11.4
231.17429	3.7
241.15849	2.8
241.19507	2.9
243.17555	4.6
253.08815	1.8
253.15970	3.4
259.20654	3.9
265.19470	4.3
267.17374	4.1
271.20654	2.1
281.19077	1.8
283.20618	6.6
305.22766	2.9
311.23645	3.4
313.10779	2.4
323.23746	25.1
326.11868	1.9
341.13614	2.5
341.20761	3.0
341.24771	48.3
359.14874	3.0
359.25854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1703
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03952	1.9
55.01867	1.9
57.03426	1.5
59.05013	1.4
60.47519	1.0
61.02927	3.4
65.30398	0.9
67.05494	2.5
69.03436	9.1
70.26826	2.9
71.04982	1.1
71.39674	1.0
73.02922	1.9
79.05503	2.3
81.03398	3.5
81.07042	2.1
85.02913	33.6
86.09715	2.2
91.05489	7.5
93.07063	8.8
95.04964	2.6
97.02903	7.1
99.04426	1.0
102.82886	1.0
105.07037	11.5
107.08600	23.8
109.02885	3.8
109.06534	1.9
109.10149	3.6
117.06992	1.4
119.04951	1.2
119.08603	3.6
121.06499	2.6
123.08114	1.3
127.03911	6.5
127.75150	1.3
131.04962	1.7
133.10152	23.1
135.08078	1.5
135.11705	23.5
137.05972	5.1
137.09604	2.1
143.08461	1.0
145.04965	3.0
149.05898	1.1
151.03952	1.1
151.11215	1.1
161.09647	15.1
179.10678	41.2
179.14241	1.1
197.11746	100.0
198.12148	1.2
269.73102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2584
Annotation	16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
51.75119	3.0
52.50997	3.1
53.03940	7.3
55.01872	6.0
55.05522	21.0
57.07064	4.8
62.17073	2.9
67.05512	21.5
69.07071	23.0
71.03160	3.5
75.48620	2.8
79.05503	18.9
81.03415	3.6
81.07066	32.2
83.05000	28.3
83.08619	14.3
91.05495	28.9
93.06500	5.1
93.07055	85.8
95.04963	5.7
95.08612	47.8
97.06531	23.7
97.10154	5.6
105.07037	42.4
105.23880	2.7
107.08605	63.0
109.06511	13.7
109.09474	5.0
109.10168	52.9
111.07384	4.7
111.08083	42.6
115.05457	4.5
117.07030	11.3
119.08593	58.1
121.06525	33.3
121.10156	61.0
123.08079	11.8
123.11692	11.9
125.09624	6.5
127.11182	5.1
128.06206	3.4
129.07007	7.3
131.08586	22.5
133.06537	3.8
133.10164	45.9
135.08055	19.1
135.11716	22.3
137.05965	6.0
137.09627	59.8
137.13278	4.8
139.06543	6.0
139.07553	95.9
139.11147	3.8
141.07024	4.8
142.07800	4.6
143.08630	18.3
145.10132	38.1
147.08035	9.0
147.11700	28.7
149.05919	3.6
149.09624	12.5
149.13292	10.5
151.11180	10.4
153.12773	5.0
154.34239	2.9
155.08527	7.6
156.09326	6.3
157.10167	19.3
158.10846	3.0
159.11714	41.1
161.09689	17.9
161.13246	21.2
163.11177	22.8
163.14769	5.3
165.12762	4.2
169.10123	14.8
171.11714	31.7
173.09676	5.3
173.13213	18.3
175.11221	6.0
175.14819	24.8
177.12706	17.1
177.16423	29.2
181.10162	3.9
183.11732	12.8
185.13268	20.1
187.11176	7.0
187.14848	33.1
189.12798	16.4
189.16351	7.4
195.11705	5.4
197.13287	14.8
199.11053	3.6
199.14861	18.8
199.16447	3.7
201.12711	4.7
201.16365	4.3
203.14323	16.7
205.15892	100.0
207.17448	6.9
211.14838	7.7
213.12868	3.5
213.16461	7.8
215.14307	10.0
217.15894	14.6
219.17413	4.4
221.13255	6.0
223.14842	7.2
225.16347	10.7
227.14314	4.3
227.17986	4.9
229.15878	5.8
231.17410	3.3
239.17885	13.2
241.15845	6.1
241.19591	5.3
253.15892	3.7
257.18893	3.9
265.19531	4.1
267.17416	8.5
281.22333	3.9
283.20566	6.5
285.18527	4.4
295.24280	9.0
305.22623	11.2
311.23679	12.5
313.10773	6.5
313.25259	8.9
323.23721	80.0
327.11911	4.6
329.24933	4.5
341.24759	78.7
359.14825	6.4
359.25882	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90658	3.8
53.26054	4.4
55.01868	6.3
55.05505	4.0
57.03430	5.2
67.05507	4.9
69.16639	30.7
69.17063	15.8
79.05489	9.4
81.07070	4.8
83.04977	8.0
85.02875	4.6
91.05477	14.5
93.07036	14.5
95.08604	4.0
103.05477	9.6
104.18205	4.7
105.07033	6.0
105.56809	4.4
107.04939	10.3
107.08580	4.9
109.02876	4.3
109.06517	7.8
115.05460	6.4
115.87981	3.9
119.04908	6.3
121.06503	24.5
122.03603	6.1
126.33615	4.2
129.14722	4.2
131.04893	6.9
133.06499	5.3
135.08069	7.0
137.05992	100.0
138.03117	4.7
143.04893	5.3
146.03596	5.9
147.04468	9.8
149.05989	58.6
151.03903	13.0
151.07539	6.7
153.05458	30.0
161.06026	38.2
162.06758	10.1
163.07549	13.2
165.05577	4.3
165.06949	10.6
167.07019	8.1
175.07550	15.1
178.07803	7.4
179.07030	6.8
179.08543	10.8
181.06483	5.2
181.08600	32.5
187.07520	10.9
189.07021	7.0
191.08539	27.7
191.81316	5.0
193.06526	5.2
194.07269	19.1
202.07697	4.2
205.06497	10.7
207.08133	11.2
208.08809	7.3
211.07515	5.8
218.07251	6.4
219.08092	37.6
220.08836	10.2
221.05972	8.7
222.06696	13.9
225.09108	8.9
233.09436	6.5
235.07495	9.1
236.08406	13.7
237.09077	13.3
239.07016	4.5
239.10541	4.7
247.07658	27.9
248.08359	5.8
249.09007	4.7
250.06331	4.5
251.10692	17.5
252.07996	5.1
253.08723	6.6
261.09119	5.9
264.07797	11.4
265.08643	41.9
267.10123	7.7
269.08273	5.2
270.62509	4.5
277.08566	5.9
279.10187	58.2
285.11224	6.1
291.10059	6.4
295.09695	21.0
297.11215	57.5
299.12811	34.7
309.11215	5.6
310.12085	19.6
311.12814	75.4
329.14093	7.9
341.10010	7.8
341.13751	41.9
359.14645	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	357.2636
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
53.03946	4.3
55.05513	28.3
57.03440	42.3
57.07079	7.9
60.25092	3.0
61.01941	3.5
67.05502	41.4
69.07065	35.7
69.49546	13.8
69.49955	5.7
70.06591	12.8
79.05498	32.3
81.07059	71.5
81.07533	4.7
83.08624	21.5
85.06542	9.5
88.07625	14.6
91.05479	11.1
93.07049	30.4
95.08612	69.3
97.06538	16.1
97.10149	16.9
99.08096	5.6
102.57855	2.8
104.40347	2.9
105.07043	8.6
106.08669	5.9
107.08596	25.9
109.06503	3.6
109.10172	33.1
111.08073	5.2
111.11721	7.2
117.61281	3.8
119.08582	5.7
121.10134	32.7
122.67648	3.2
123.11716	25.8
125.09644	3.5
133.10146	8.2
135.11674	25.0
136.41171	2.9
137.09595	4.2
137.13258	19.8
141.12787	14.8
147.11700	5.0
149.13304	18.7
155.14316	6.3
161.13226	6.5
163.14838	12.7
177.16422	7.1
233.22643	58.4
243.21074	6.8
251.23734	28.7
255.23158	5.3
261.22101	14.6
279.23190	47.0
285.31924	3.4
297.24283	4.5
339.34647	5.0
357.24072	3.5
357.35577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36636	1.5
55.04617	1.6
60.70052	1.4
63.54688	1.5
67.54539	1.6
70.18953	1.4
70.27632	5.7
74.50607	1.5
98.21425	2.9
130.93791	1.6
144.65915	1.8
190.46025	1.9
196.03723	100.0
255.35706	1.8
307.38806	1.7
358.09003	82.5
378.47287	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Negundin B
Peak:m/z	Relative Intensity
50.11578	1.8
54.66554	1.9
55.01862	2.6
61.86215	1.8
65.03939	6.5
69.03439	2.1
71.23608	4.0
71.92274	1.7
74.19032	1.9
85.02889	2.3
91.05491	3.9
93.03410	4.1
94.12434	1.7
107.04948	8.0
110.03665	5.4
111.04464	2.1
112.62481	1.8
121.02896	22.9
121.03789	3.1
121.06519	3.3
125.05998	7.8
128.41782	1.8
129.06989	2.3
129.18675	1.9
131.04962	2.9
135.08058	3.8
137.05928	1.8
140.29442	1.9
141.07054	2.0
144.05666	3.3
145.06520	3.2
147.08125	1.8
148.52248	2.0
149.02356	6.2
152.06189	3.1
153.05493	11.6
153.06900	2.2
159.08064	5.6
161.09680	3.1
162.06786	2.4
165.07036	7.1
166.07756	2.7
167.07225	3.6
167.08566	6.8
168.55930	2.0
169.06555	2.7
178.07770	3.3
179.08598	3.9
181.04968	16.3
181.06509	7.0
182.07260	7.3
183.08064	6.6
184.05157	3.7
187.07501	2.3
191.08577	2.5
193.10037	2.7
194.07317	6.4
195.08105	10.2
197.05986	6.1
197.09590	4.6
199.07617	2.9
200.25002	2.1
202.07715	2.0
205.06512	4.1
206.07288	3.8
207.08084	4.1
209.05937	5.5
210.06732	13.3
210.10315	2.9
211.07570	10.0
211.11035	2.0
212.08315	7.0
213.09019	2.6
219.08009	2.0
221.05991	2.3
221.09567	11.7
222.06787	5.8
222.10338	4.1
223.07559	17.6
223.11174	2.5
224.08316	8.8
225.05524	3.2
225.09155	10.5
226.06313	2.7
227.07043	10.2
227.10669	3.4
234.06752	2.6
235.07660	4.2
237.05467	2.7
237.09106	9.9
238.06308	8.0
238.09903	13.7
239.06970	12.6
239.10870	2.6
240.07837	33.7
241.08598	5.5
244.11040	2.1
248.08389	2.3
249.09129	8.9
250.09998	2.5
251.07101	8.1
252.07800	5.7
253.08609	57.7
253.12236	13.8
254.09404	7.4
255.06580	5.6
255.10101	11.5
257.08087	8.0
263.10699	2.1
265.08545	7.2
266.09427	9.1
267.06619	2.9
267.10135	7.1
268.07352	5.5
269.08133	15.7
270.08926	6.5
271.13333	4.3
281.08109	11.7
281.11768	16.3
282.08926	4.3
283.06403	3.3
283.09677	22.9
284.10437	9.0
285.07736	4.0
285.11203	3.7
285.15082	2.2
295.09729	4.5
297.07605	2.9
297.11230	3.2
298.08350	9.3
298.12012	6.6
299.12787	22.5
300.09995	16.9
301.10797	2.1
309.11160	14.2
310.12030	3.8
313.10721	81.1
313.14374	55.6
326.11459	6.0
327.12286	94.2
328.12982	5.0
331.15442	22.8
341.13855	45.1
359.14911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	26.7
57.03418	5.6
57.07063	7.9
60.20702	3.4
60.60234	2.7
67.05509	42.8
69.07071	30.3
69.15868	4.2
69.16270	30.1
70.06586	7.2
71.04987	6.9
71.08601	4.2
79.05499	29.0
80.47044	2.5
81.06601	4.5
81.07067	78.6
83.05007	5.2
83.08623	26.2
85.06551	3.6
88.07632	14.4
91.05495	6.3
93.07044	31.9
95.08617	79.5
97.06538	19.7
97.10165	15.3
102.09161	3.6
105.07045	8.7
107.08564	18.1
109.10157	30.7
111.08109	4.9
111.11752	4.0
119.08573	6.6
121.10160	36.7
123.11699	12.0
131.08611	3.2
133.10121	3.6
135.11722	32.7
137.13272	16.8
145.10130	3.7
147.11702	5.0
149.13260	10.6
151.14816	9.9
155.14316	12.4
161.13246	7.1
163.14822	6.4
169.15871	6.4
175.14780	2.9
191.01851	2.9
233.22658	41.1
251.23778	17.1
255.23351	3.7
261.22174	12.7
279.23239	41.8
297.24301	7.3
339.34555	8.5
357.24194	5.9
357.28458	5.7
357.35568	100.0
384.45673	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1182
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
69.03462	3.2
76.17989	3.1
81.03418	7.6
81.72015	3.3
88.10146	3.2
89.03915	14.1
91.05438	5.5
95.49348	3.3
105.07074	5.9
117.03382	21.9
121.06451	3.9
137.05978	39.8
145.02859	57.7
149.05975	13.3
151.03882	6.9
161.05986	15.0
163.07594	4.2
167.07040	4.4
172.92737	3.1
177.05473	100.0
179.06989	5.7
189.09149	3.9
203.06975	6.4
207.10210	6.5
233.07903	4.8
265.08463	4.7
297.11066	4.8
325.10703	7.2
327.12164	3.8
339.11862	3.8
357.13315	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.3
55.01865	4.7
55.05511	12.4
57.03429	4.3
58.16599	1.7
64.09899	1.7
67.05187	2.2
67.05510	24.8
69.03435	56.4
69.07072	15.0
70.76236	4.2
71.04979	8.3
73.04739	2.7
79.05496	18.6
81.03424	100.0
81.07063	77.3
83.04983	9.4
83.08635	4.2
85.02892	6.5
85.06546	5.1
91.05473	30.2
93.07050	16.6
95.04951	3.5
95.08613	17.9
97.02892	42.1
97.06561	4.9
99.04462	11.8
99.06732	2.0
99.08102	3.3
105.07033	39.9
107.05000	3.3
107.08611	14.6
109.02150	2.5
109.02889	44.8
109.06503	6.4
109.10146	3.4
111.08108	2.4
113.05972	2.6
115.05391	1.6
117.07021	3.3
119.04999	2.6
119.08582	27.4
121.10153	21.5
122.75398	1.9
123.08096	3.1
123.11719	26.2
124.41003	2.1
127.03918	38.8
127.07523	3.7
129.06982	4.4
131.08585	3.2
133.10132	5.6
137.05983	5.7
137.13220	2.2
145.02797	3.2
145.10172	3.7
147.11699	83.2
151.07513	2.4
157.10109	5.8
159.11760	2.2
161.05981	3.2
165.12773	47.0
167.07106	2.7
167.08502	2.0
173.05919	2.0
175.07564	2.2
175.11250	9.2
177.05479	7.8
179.14336	2.0
183.13802	6.8
189.07097	1.8
193.12250	12.7
200.67342	2.1
201.05481	7.4
221.08006	2.9
222.06937	2.1
227.85875	2.1
229.14362	15.9
234.06644	3.9
235.07529	1.9
263.09216	5.0
264.07806	3.5
265.05234	2.1
277.08530	3.0
280.07285	2.5
281.10114	4.7
295.09616	4.9
305.08182	2.1
307.11841	3.2
323.09064	5.4
325.10672	3.8
337.16357	7.9
355.11676	14.0
355.17813	22.9
355.21964	3.6
355.26404	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	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05511	34.3
56.85399	2.9
57.03429	11.9
57.07078	13.6
61.68414	2.5
65.03954	2.4
67.05511	73.6
69.07073	50.3
69.27681	27.5
70.06609	3.9
71.08627	4.8
73.04758	6.9
79.05503	28.5
81.07059	100.0
83.04992	3.4
83.08627	32.7
83.72334	2.8
85.06555	4.8
88.07618	4.0
91.05428	18.2
93.07054	37.5
95.08614	81.7
97.06537	12.2
97.10168	19.9
99.08103	5.1
105.07051	17.5
107.08585	30.3
109.10167	44.5
111.08106	5.9
111.11714	7.1
119.08556	16.6
120.51315	2.9
121.10136	25.6
122.11220	2.9
123.11742	18.9
125.13291	3.1
133.10129	19.4
135.11707	21.4
137.13225	7.8
143.08574	3.4
147.11659	13.1
149.13272	13.5
151.11191	4.3
151.14816	6.7
159.11557	2.7
161.13246	17.7
163.14819	14.6
165.16438	8.7
167.14203	3.5
175.14804	12.1
177.16483	4.8
179.18060	4.1
189.16408	10.5
203.17935	2.6
245.22652	40.0
263.23752	55.3
268.97812	3.2
337.27469	33.5
355.26340	3.4
355.28519	4.2
355.34018	3.2
356.35336	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2845
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03923	3.6
55.05285	2.7
55.05516	33.6
56.12002	3.2
57.03425	11.7
57.07070	15.1
58.86376	2.9
61.13290	2.7
67.05507	71.2
69.07068	40.7
70.06598	4.0
70.25717	2.9
71.04979	4.2
71.08627	6.7
72.43282	2.8
73.04747	3.8
78.63136	3.4
79.05501	32.5
81.06603	5.6
81.07060	100.0
83.08625	33.4
88.07597	4.8
91.05446	24.7
93.07046	32.6
95.08003	4.1
95.08613	83.9
97.06522	9.7
97.10170	23.8
99.08084	3.7
105.07014	12.9
107.08584	27.7
109.10168	46.8
109.13232	3.7
111.08069	5.9
111.11729	5.0
113.09601	3.3
116.04686	2.9
117.06924	2.8
119.08588	26.0
121.10137	31.7
123.11723	25.1
133.10178	17.7
135.11684	18.4
137.13243	5.5
145.10031	3.9
147.11691	10.3
149.13281	19.2
151.14786	4.7
159.11690	4.0
161.13252	11.5
163.14850	15.1
165.16408	6.5
171.11891	3.8
175.14787	10.6
189.16336	4.8
228.97316	3.2
245.22629	38.2
263.23709	50.8
264.55917	3.7
284.74942	4.2
337.27466	22.1
355.27374	2.9
355.29465	5.6
355.33728	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	355.173
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
69.75484	3.9
73.04753	0.6
74.47193	0.7
86.12170	0.6
91.05502	1.1
93.07056	0.6
137.06009	1.1
143.02008	0.7
150.06850	0.8
164.82062	0.6
177.12465	1.0
201.03752	21.2
201.05496	2.3
203.05309	8.8
325.00259	0.7
355.17300	100.0
356.17520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41226	0.5
55.05517	0.6
57.20392	0.5
65.74997	0.5
67.05490	0.8
69.75156	3.0
73.04768	0.9
81.03399	0.5
81.07051	1.3
85.02933	0.5
91.05442	0.7
93.07053	1.0
105.07018	1.1
107.04945	0.7
107.08564	0.9
109.81798	0.5
135.04460	0.5
137.05960	1.7
138.26840	0.6
143.01906	0.7
145.02893	1.0
147.04366	0.5
151.03944	0.8
151.07639	0.6
161.05974	0.5
163.03934	0.8
167.07054	0.8
175.07521	0.8
177.05386	2.3
201.03731	6.5
201.05502	2.4
203.05278	7.0
249.09276	0.6
285.00879	0.7
295.09818	0.6
305.08115	0.8
323.09143	0.7
355.17297	100.0
356.17786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.58027	0.6
51.09089	0.7
71.00795	1.4
78.67089	0.7
79.20269	0.7
83.04992	1.0
86.90365	0.8
89.03934	6.9
91.62913	0.7
98.20908	0.8
100.07484	0.7
107.04944	1.8
112.88938	0.7
113.39281	0.7
117.03383	9.1
135.04428	16.5
145.02866	13.7
163.03914	100.0
164.04245	1.4
196.06328	0.7
201.64174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1541
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
55.01867	2.6
55.05510	3.3
57.79413	1.4
67.05517	4.1
69.03442	3.5
69.07064	2.5
71.50072	2.0
73.04769	2.1
74.34125	1.5
79.05516	8.5
81.03419	1.8
81.07050	6.7
83.05005	1.5
87.92050	1.5
91.05476	16.5
93.07047	4.3
95.04987	3.0
95.08611	4.5
97.06483	1.5
97.10178	5.7
103.05454	5.9
105.07055	12.6
107.04985	9.6
107.08607	4.8
109.02924	2.0
109.06527	3.1
109.10169	4.2
111.04424	1.8
111.08098	3.4
115.05470	7.6
117.07014	8.0
118.04211	1.6
119.04996	3.4
119.08595	5.9
121.06478	4.6
121.10148	3.8
123.04440	4.1
123.11716	1.9
124.05235	1.8
125.09620	2.0
128.06206	5.2
129.07033	12.0
131.04941	9.6
131.08594	4.6
132.05704	4.7
133.06500	4.9
133.10161	2.6
135.08044	4.0
137.05997	26.9
137.11382	1.6
141.06985	6.9
143.04935	1.9
143.10727	2.1
145.06528	5.5
146.03601	1.6
147.04462	1.7
147.08075	16.1
149.05988	4.6
151.03896	1.8
151.07579	10.7
157.06468	7.9
158.07271	1.9
159.08095	4.2
160.05188	7.3
161.05995	66.3
161.09663	3.7
163.07533	11.7
165.07025	2.7
165.09134	2.7
167.07040	32.4
169.06500	12.0
174.06796	5.5
175.07561	100.0
175.11099	3.0
178.07837	2.2
179.08557	1.5
185.06009	3.2
187.07597	4.9
189.07196	2.7
189.09134	19.7
190.07767	1.7
191.07010	3.6
191.08585	4.7
193.08609	17.3
193.12285	2.1
199.07683	1.7
201.05458	3.3
201.09160	7.5
202.07805	6.8
203.08661	2.4
205.06520	3.7
206.07256	3.1
207.08220	3.2
207.10144	5.1
208.08809	3.5
213.09119	3.4
217.06566	1.9
217.10158	6.2
218.07292	4.2
219.08102	11.1
220.08722	2.8
221.06081	3.8
221.09616	3.6
233.09641	3.8
234.06781	8.6
234.10469	2.7
235.07602	5.7
236.08310	5.5
237.09129	2.6
238.09798	1.4
245.05998	2.2
245.09607	12.6
246.10425	3.1
247.07591	6.4
248.08267	5.0
249.09210	10.3
250.06134	2.1
250.09833	2.0
251.07181	3.9
251.10677	10.8
253.08702	2.7
255.08037	2.2
261.09164	5.7
262.06348	4.3
262.09918	2.8
263.07028	4.1
263.10648	4.9
264.07849	7.2
265.08673	3.5
266.09570	2.5
267.10153	2.1
273.09103	8.4
274.09824	1.6
276.07834	2.8
277.08636	13.8
277.12259	8.1
278.09375	2.9
279.06879	2.8
279.10162	22.4
280.10986	4.2
281.08130	7.2
281.11597	1.8
283.13190	2.2
285.01141	1.8
290.09393	5.5
291.10141	6.6
293.08127	4.1
293.11475	2.9
294.08862	4.4
295.09772	2.1
295.13223	3.9
296.10425	8.2
297.11044	2.2
305.11783	16.1
309.11334	14.1
311.12799	58.9
319.22418	2.0
323.09509	2.0
323.12781	11.0
337.10699	2.3
337.14285	12.7
355.11316	3.4
355.15298	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.94598	0.7
55.71125	0.7
70.66600	1.2
70.66944	1.4
71.72652	0.7
73.04720	1.0
76.94124	0.7
79.05507	1.5
83.04946	0.8
89.03920	7.2
102.69539	0.7
107.04951	2.2
117.03384	11.4
135.04420	17.2
145.02863	14.8
163.03912	100.0
164.04253	0.8
238.60715	0.7
337.09833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3368
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03949	0.7
55.05514	13.4
56.05028	1.6
57.05811	2.8
57.07081	13.0
58.02966	1.9
58.06603	18.3
59.05000	0.5
60.04529	4.2
63.38820	0.4
65.03909	0.6
67.05186	0.6
67.05509	9.0
69.03421	0.4
69.07072	19.1
69.27326	2.9
70.02962	2.8
70.06593	8.4
71.04986	1.1
71.08641	7.2
72.04517	3.4
72.08145	1.1
72.26431	0.4
73.04764	0.7
73.05295	0.4
74.06087	2.5
79.05511	2.1
81.06596	0.8
81.07060	13.4
82.06567	1.2
83.04967	1.5
83.08157	0.8
83.08626	11.9
84.04488	0.4
84.08147	6.3
85.06531	0.5
85.09776	0.4
85.10191	3.6
86.06066	4.9
87.06840	1.6
88.07612	0.5
91.05845	0.6
93.07049	2.6
94.06554	0.6
95.04973	0.8
95.08611	16.9
96.08139	1.1
96.08955	0.5
97.06540	0.7
97.10168	7.0
98.06102	0.5
98.09686	1.7
100.07626	0.6
105.07052	1.1
107.08576	1.7
108.08107	1.1
109.06533	1.2
109.10164	6.3
111.08081	0.6
111.11733	3.7
112.07603	1.0
112.11257	0.7
117.99957	0.3
119.08588	0.7
121.10123	1.1
122.09679	0.4
123.08062	1.1
123.11726	4.0
125.09687	0.4
125.13255	1.1
126.09028	0.4
133.10146	0.5
135.11708	0.7
137.13219	1.2
151.14862	0.5
163.14876	0.7
191.18065	0.4
266.28406	0.5
267.73019	0.4
268.29996	1.3
277.28973	0.8
285.00940	0.8
294.31570	2.8
306.31406	2.7
307.29932	2.7
308.33218	3.6
318.31427	0.7
324.32693	0.7
326.34106	3.5
336.32629	13.3
337.30908	1.9
354.33676	100.0
355.34033	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	12.5
57.03434	2.8
57.07074	5.2
67.05511	93.5
69.07082	13.6
69.41905	19.0
71.04997	3.1
71.08624	3.1
79.05497	51.9
81.07062	94.7
83.08617	6.4
91.05493	25.7
93.06495	4.5
93.07056	68.0
95.08614	75.3
97.06526	3.7
97.10151	3.0
105.07047	19.4
107.08603	34.9
109.10172	36.4
117.07021	9.2
119.08588	14.6
121.10147	34.7
123.08116	3.1
123.11703	21.3
131.08580	21.1
133.10127	15.4
135.11708	29.2
137.13264	7.8
145.10155	16.0
147.11720	11.9
149.13272	20.1
159.11708	14.8
161.13277	10.0
163.14832	10.4
173.13289	17.3
175.14868	3.2
177.16483	3.9
187.14836	6.1
201.16519	4.1
233.22667	7.7
243.21063	23.5
261.22162	100.0
279.23215	4.5
335.25641	7.9
353.26968	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03950	3.2
55.05510	13.2
55.96598	1.9
57.03434	5.6
57.07080	3.7
58.56432	2.2
62.47296	2.1
65.03940	5.7
67.05512	85.8
69.07072	15.2
70.63266	4.7
73.97249	2.2
79.05497	35.9
79.33252	2.0
81.07063	100.0
83.08631	8.6
83.30021	2.2
90.49232	2.0
91.05483	15.8
93.07054	50.5
95.08617	75.1
97.10184	4.2
99.08115	2.5
105.07032	14.7
107.08598	31.2
109.10170	40.4
113.72353	2.1
117.07040	7.1
119.08565	12.5
121.10157	29.7
123.11716	21.9
131.08582	23.1
133.10158	14.4
135.11681	27.2
137.13242	9.5
145.10150	14.6
147.11711	15.1
149.13268	17.3
159.11719	13.3
161.13283	11.4
163.14851	11.7
173.13266	16.7
175.14850	3.5
177.12730	2.5
177.16437	4.4
179.14380	2.5
187.14839	9.0
201.16470	3.2
205.15796	2.6
233.22656	3.1
243.21082	24.7
261.22153	92.8
265.58960	2.5
266.82678	2.2
279.23199	3.5
335.25778	12.2
353.26917	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63179	2.4
51.51999	2.5
53.03938	3.8
55.05517	18.6
57.03429	3.3
57.07073	4.7
59.87648	2.5
65.03941	3.3
67.05511	95.0
69.07067	15.2
70.69443	4.9
70.69817	4.8
71.05007	4.0
79.05503	46.5
79.05968	2.7
81.07067	100.0
82.21718	2.1
83.08627	7.0
85.06605	2.3
91.05489	30.9
93.07057	70.5
95.04966	3.1
95.08617	79.2
97.06505	4.2
97.10213	4.9
99.08106	3.2
105.07048	22.6
107.08611	40.6
109.10179	36.2
111.08042	2.6
117.07061	8.8
119.08588	17.9
121.10150	32.0
123.08089	3.8
123.11700	20.9
131.08559	22.9
133.10117	15.9
135.08022	2.4
135.11699	28.1
137.13281	5.6
138.91420	2.2
145.10152	18.1
147.11693	13.8
149.13264	20.3
151.14854	3.5
159.11690	15.7
161.13304	11.7
163.14854	10.2
173.13284	15.1
175.14836	4.9
175.72641	2.8
179.22501	2.4
187.14880	9.5
201.16415	2.7
232.70039	2.3
233.22726	5.7
243.21083	16.2
261.22180	76.5
335.26306	3.7
353.27051	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.72957	0.7
53.03950	2.7
55.05515	13.6
57.03442	5.6
57.07078	4.7
59.05009	0.7
65.03947	2.8
67.05508	96.6
69.07072	12.2
71.04987	2.2
71.08641	1.8
75.04491	1.3
77.03938	0.7
79.05497	40.5
81.07059	100.0
83.04995	1.8
83.08630	5.4
85.06531	3.8
91.05484	20.8
93.07047	56.5
95.04971	2.2
95.08612	75.7
97.06522	3.4
97.10178	3.3
99.08093	1.9
105.04559	0.9
105.07039	15.7
107.08599	39.3
109.06523	1.3
109.10165	39.5
111.08080	1.6
117.07019	8.3
119.08588	13.5
119.09377	1.3
121.10149	30.7
123.08109	1.0
123.11713	18.8
125.09662	0.9
129.06998	1.3
129.62097	0.9
131.08571	18.1
133.10135	13.8
135.08035	0.8
135.11700	26.6
137.09665	1.6
137.13263	8.4
139.11269	1.2
145.10138	14.1
147.11693	10.3
147.54744	0.6
149.13264	19.1
149.14377	1.3
151.11229	1.7
151.14859	3.2
153.12753	1.6
159.11702	13.2
161.13251	9.4
163.14836	9.8
165.12766	1.5
173.13278	13.2
175.14880	2.7
177.12753	1.4
177.16409	3.3
187.14813	10.0
191.14281	1.0
195.36549	0.7
201.16406	3.1
205.15952	1.4
219.17416	1.0
233.22646	3.6
243.21107	22.3
261.22150	87.3
262.22604	1.4
263.23737	1.0
277.21417	0.8
279.23242	5.6
317.24918	0.9
335.25815	9.3
353.26929	20.5
354.27048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.05515	15.2
57.03430	4.5
57.07084	5.5
65.03948	3.1
67.05507	98.5
67.31796	1.0
69.07068	14.3
69.36100	6.5
69.36523	2.4
71.05006	2.9
71.08632	1.9
75.04486	1.6
79.05497	50.7
81.07058	99.5
83.04965	1.1
83.08627	8.6
85.06530	2.8
91.05486	25.0
91.06032	1.9
93.07049	69.6
94.50506	1.1
95.04991	2.8
95.08609	71.8
97.06532	3.4
97.10161	3.4
99.08079	2.2
105.07040	19.4
107.08598	41.4
109.06526	1.2
109.10160	38.9
111.08064	1.7
111.11733	1.1
113.09660	1.4
117.07020	9.5
119.08588	18.3
121.10152	36.0
123.08090	2.0
123.11719	21.4
125.09693	1.3
131.08577	25.1
133.10126	14.2
135.11696	27.5
137.09547	1.3
137.13261	8.1
139.11160	1.5
145.10115	18.9
147.11694	12.4
149.13266	24.6
151.11192	2.0
151.14822	2.6
153.12798	1.2
159.11713	16.1
161.13280	9.3
163.14833	13.5
173.13254	16.6
175.14847	4.6
177.16403	4.0
179.14349	1.2
181.58481	1.0
187.14806	10.8
189.16350	1.2
191.14342	1.0
201.16414	2.8
203.17926	1.1
205.15903	1.4
219.17392	1.3
233.09486	0.9
233.18947	1.4
233.22717	4.5
243.21083	23.7
261.22147	100.0
262.22543	1.4
263.24039	1.0
279.23160	3.1
287.23941	1.4
317.25003	1.2
335.25821	9.8
353.26917	25.9
376.02109	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03951	3.0
55.05515	13.5
55.20878	1.4
57.03447	5.2
57.07062	2.7
60.70993	1.6
64.53767	1.4
65.03938	2.0
67.05511	100.0
69.07077	10.4
69.75423	3.2
69.75837	5.3
71.04987	2.9
79.05025	2.0
79.05498	47.6
81.07063	95.8
83.04987	1.9
83.08618	7.0
91.05483	18.3
93.06490	3.4
93.07050	55.3
95.08617	73.9
97.06521	2.1
98.21533	1.9
99.08104	2.2
105.04550	1.7
105.07049	13.1
105.83990	1.6
107.08604	34.4
109.09475	2.7
109.10167	29.3
111.08061	2.2
117.07020	7.2
119.08595	15.2
121.10155	32.1
121.74533	1.5
123.11715	18.4
127.21568	1.3
128.08975	1.4
130.48749	1.5
131.08580	16.9
133.10185	11.0
135.11700	18.9
137.09543	1.6
137.13258	5.9
145.10164	10.2
147.11734	10.6
149.13274	14.5
159.11681	14.8
161.13272	6.9
163.14833	9.3
172.62701	1.8
173.13310	9.7
175.14888	2.3
177.12770	1.5
177.16425	5.0
187.14874	7.1
201.16667	1.8
216.04027	1.5
233.22748	3.3
243.21071	16.8
261.22159	71.0
262.22333	1.9
279.23318	4.2
335.25833	8.6
353.26935	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.0
55.05499	4.3
57.03431	5.3
67.05502	3.0
69.03437	13.8
69.07084	10.9
71.49041	2.3
79.05484	5.6
81.03427	4.7
81.07034	5.2
83.04975	8.2
85.02914	10.7
91.05468	11.6
93.07066	13.0
95.04958	3.7
95.08611	8.1
97.02892	8.8
97.06543	8.8
101.02411	1.9
103.03983	1.7
105.07034	11.3
107.04923	1.9
107.08602	28.2
109.02917	2.1
109.06518	3.4
109.10149	5.6
111.08060	2.7
117.06985	2.8
119.04955	4.0
119.08596	31.1
121.06522	13.6
121.10149	21.1
123.08067	2.8
127.03906	6.2
131.08560	10.0
131.09407	1.6
133.10144	23.0
135.08072	14.3
135.11702	9.6
137.05984	5.7
137.09647	8.2
143.03403	2.5
143.08588	3.2
145.02814	1.8
145.04915	1.8
145.10126	5.6
147.04448	10.4
147.08051	2.2
147.11699	23.7
149.09636	5.0
149.13251	10.7
158.10890	4.5
159.11713	1.7
161.09618	3.2
161.13232	3.7
163.07545	2.3
163.14864	8.0
167.07008	5.0
171.11671	3.2
173.09547	2.0
173.13269	26.2
175.14824	21.6
177.05539	1.7
177.12805	1.6
189.12723	2.8
191.14319	100.0
192.14870	2.2
199.07539	2.9
209.15300	2.2
218.07217	3.3
231.08044	1.7
233.00688	3.7
233.09656	3.4
235.07516	2.3
247.07675	2.5
261.09232	5.2
263.07037	3.7
277.08667	2.7
278.09329	3.0
279.10153	1.6
288.29797	1.4
289.08786	2.5
293.11594	3.1
306.08551	1.8
307.09634	2.7
308.06879	1.8
321.11099	6.9
335.12949	2.2
335.18521	5.0
338.11615	2.3
353.06088	2.5
353.13892	16.8
353.19626	24.8
367.14752	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	3.1
55.05523	17.0
57.02668	1.7
57.03432	4.8
57.07067	6.9
65.03941	3.7
65.54951	1.9
67.05512	100.0
69.07072	16.4
69.35262	16.9
70.32249	1.9
71.05015	2.5
72.84358	2.1
79.05083	3.5
79.05502	41.8
81.07068	98.2
83.08610	8.7
91.05487	28.2
93.07056	67.3
95.08621	77.7
97.06489	2.8
97.10154	2.2
98.21668	2.3
99.08101	3.0
105.07044	29.6
107.08606	42.2
109.10168	40.4
111.08081	2.4
117.07020	10.5
119.08597	28.3
121.10162	34.1
123.08083	2.4
123.11723	21.7
131.08595	25.8
132.47211	2.0
133.10150	29.1
135.08023	2.5
135.11714	25.2
137.09631	3.4
137.13255	9.3
143.08588	4.7
145.10143	25.6
147.11702	28.0
149.09589	2.9
149.13271	15.9
151.11218	2.1
153.12704	2.5
155.08524	2.6
157.10146	3.1
159.11716	17.2
161.13312	10.4
161.14485	2.0
163.11169	2.9
163.14896	10.4
169.10153	4.4
171.11693	4.0
173.13289	20.2
175.14786	5.7
177.12802	3.1
177.16406	4.9
179.14200	2.4
181.10146	2.5
181.12112	2.8
183.11754	4.2
187.14859	13.5
189.16469	2.0
197.13191	3.0
197.26604	2.4
201.16431	4.3
205.15923	4.3
206.59059	2.2
211.14720	2.2
223.14743	2.3
237.16356	2.6
243.21132	20.2
261.19461	4.2
261.22195	87.2
279.23248	7.9
316.77512	2.3
335.25909	10.2
353.24716	14.9
353.27649	12.5
360.74982	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02052	0.6
52.44335	0.7
53.03945	1.5
55.01867	1.0
55.05509	2.4
57.03427	2.2
57.63537	0.6
61.02911	1.3
64.11594	0.6
65.03924	0.8
67.05497	2.8
69.03436	16.5
69.07072	13.8
71.04986	1.8
71.49402	1.0
73.02901	1.2
79.05495	2.6
81.03413	2.3
81.07057	5.7
83.04983	4.7
83.08607	2.0
83.31171	0.6
85.02914	12.4
85.06541	1.4
85.16948	0.6
91.05479	6.5
93.07053	5.0
95.04933	1.7
95.08604	6.1
97.02926	3.4
99.04430	0.9
105.07045	5.6
107.04963	1.1
107.08604	11.6
109.06506	1.9
111.04457	1.4
111.08085	5.7
117.07019	1.1
119.08585	5.9
121.06511	1.6
121.10162	7.6
123.08070	4.8
125.67081	0.7
127.03929	3.1
129.07010	1.3
131.08575	8.2
133.02824	1.0
133.10155	7.8
135.08067	15.0
135.11661	2.5
137.05997	0.9
137.09621	0.8
139.03926	0.9
143.08543	1.8
145.04956	1.2
145.10144	3.2
147.11700	4.0
149.09619	7.3
149.13271	2.6
151.03986	0.6
158.10907	2.4
161.02298	0.8
161.09558	1.0
163.14862	4.5
165.09158	1.0
173.13269	16.9
175.07584	0.8
177.05508	1.1
179.03426	2.7
190.72923	0.6
191.14319	100.0
192.14597	1.0
193.08623	0.9
217.16647	0.7
226.39221	0.6
274.10910	0.7
350.46344	0.7
353.06339	0.9
353.12979	1.2
353.19690	10.5
372.79898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0848
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
51.81937	3.9
61.96036	4.6
66.72437	4.2
69.03451	6.6
70.52171	10.6
70.52541	8.7
83.51092	5.5
84.47186	4.9
85.02904	9.6
89.67086	4.3
98.72314	4.4
131.26076	5.3
143.01865	7.0
155.01857	6.4
156.51401	4.4
160.30234	4.4
161.02689	4.2
218.25723	5.6
245.04967	5.9
342.63138	5.2
353.08478	100.0
365.09323	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	353.1385
Annotation	Daldinone D
Peak:m/z	Relative Intensity
51.77179	0.7
53.62017	0.5
55.01873	0.9
55.05511	0.8
56.96568	0.6
57.79052	0.5
67.05492	1.1
69.03422	1.5
69.07060	1.0
71.04986	1.3
71.50049	0.5
79.05487	1.1
81.03419	0.8
81.07055	1.5
91.05486	1.3
93.07036	1.9
93.77984	0.7
95.04968	0.6
95.08617	1.2
97.02881	0.6
98.97593	1.4
105.03384	1.1
105.07036	2.1
107.08619	1.6
109.06512	0.6
109.10174	1.2
119.04966	0.8
119.08582	2.2
121.06511	0.6
121.10152	1.4
123.11649	0.7
124.59792	0.6
127.00677	1.2
129.07016	0.8
131.04930	0.8
131.08615	0.8
133.02867	2.2
133.10135	0.7
137.06000	3.5
140.18694	0.7
141.07011	1.1
143.08543	1.2
145.10141	1.4
147.04428	1.1
147.08145	0.6
147.11644	1.0
149.06000	1.2
149.09602	1.2
151.07521	0.7
153.07027	0.6
157.06523	1.6
158.07254	0.7
165.06975	1.3
167.07074	1.6
169.06470	1.2
170.07158	0.9
171.08148	0.7
177.05492	0.9
178.07776	0.7
179.08569	1.4
181.04973	0.6
181.06451	0.9
183.08081	0.7
186.06757	1.0
189.07024	2.4
189.08940	1.1
190.07796	3.8
191.06989	1.5
191.08586	1.4
191.10739	0.6
193.10107	1.0
199.07591	1.4
200.08423	0.7
201.05357	0.6
201.09175	2.1
202.07733	2.9
203.08623	5.3
204.09332	1.9
205.06549	1.1
205.10085	3.2
207.08066	4.1
210.06709	1.4
211.07567	1.2
215.08574	7.3
215.10431	0.9
217.06459	0.9
218.07291	14.3
219.08105	4.6
220.08771	1.1
221.06017	1.0
221.09615	2.6
222.10448	1.3
229.06560	1.2
229.08556	3.3
231.08035	7.4
232.08794	5.6
233.09618	17.2
234.06743	1.8
235.07585	10.9
236.08330	1.4
237.05473	0.8
237.09015	0.9
239.06973	0.7
243.08008	3.7
244.08833	1.1
245.05984	2.2
246.06807	6.9
247.07530	6.2
248.08252	2.9
249.05458	1.0
249.06602	0.6
249.09128	6.6
250.06281	1.3
250.09929	3.6
251.07092	0.8
251.10736	0.8
253.08582	0.7
259.07614	2.4
260.08344	8.5
261.09116	29.1
262.06360	2.4
262.09897	4.0
263.07074	14.1
263.10587	2.1
264.07901	2.7
265.05283	0.6
265.08633	2.5
265.12292	1.3
266.05743	0.8
267.10147	1.8
271.09729	2.3
274.06204	1.5
275.07114	2.3
275.10709	3.9
276.07834	1.7
277.05209	1.3
277.08572	8.8
278.09384	15.3
279.06775	1.0
279.10135	3.6
280.07254	3.0
281.08362	1.0
285.07590	1.4
288.07898	2.7
289.08572	13.2
289.11624	1.2
290.09387	3.6
291.06552	3.8
291.10141	3.6
292.07321	3.7
292.10977	4.9
293.04691	1.0
293.08377	0.8
293.11716	24.2
295.09592	3.0
296.10373	0.9
297.08618	1.5
299.09311	3.4
300.09692	0.8
303.10068	2.5
305.08173	3.8
306.08951	12.4
307.09625	15.9
308.06863	5.0
308.10034	1.0
309.07465	1.6
310.11948	1.5
320.10498	2.1
321.11209	39.5
322.11945	9.3
323.09161	16.3
324.09897	1.3
325.10907	1.1
335.13058	0.9
337.10611	1.6
338.11459	14.0
353.13846	100.0
353.24554	2.0
354.14166	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77616	3.1
53.58918	3.2
54.33670	3.3
56.96570	26.5
57.03437	5.6
61.01296	2.6
61.02941	5.3
62.81524	2.6
69.03423	19.8
70.06599	7.6
71.04985	4.4
71.08634	22.0
71.49082	3.9
73.02918	7.1
81.03425	7.0
84.96055	7.8
85.02906	44.0
85.09637	2.9
88.11272	100.0
89.03935	4.9
97.02882	17.8
98.97588	51.8
109.02871	8.6
110.97601	17.6
111.04468	3.6
111.60889	3.5
116.98624	10.3
117.03376	4.0
119.04980	4.2
123.04449	6.0
126.12778	8.5
127.03895	10.2
128.98615	7.1
134.99632	3.2
137.05980	3.7
139.03871	3.1
143.00201	6.7
144.13834	20.3
144.98082	3.2
145.02835	4.8
146.99655	3.8
147.04378	12.2
153.01826	21.8
158.99675	11.0
161.01208	4.1
162.05531	3.8
163.03931	24.2
170.99721	4.4
172.13261	3.6
177.00749	4.9
190.04968	12.4
190.14391	32.6
191.03865	3.1
201.00748	5.2
217.32603	3.1
219.01759	18.6
232.99493	6.8
237.02811	21.4
238.03175	6.4
289.11432	5.9
292.07773	6.7
310.08978	10.3
316.17700	3.7
337.07098	4.0
352.09982	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	351.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	21.9
57.07080	5.2
61.48600	2.4
62.08115	2.7
65.03956	3.7
67.05515	33.8
69.03425	5.7
69.07077	51.9
70.09093	2.5
71.04991	12.1
71.08638	3.4
71.23662	4.9
79.05504	28.0
81.07064	56.8
83.04972	4.2
83.08641	17.8
91.05492	37.0
93.07050	66.0
95.04995	19.7
95.08615	54.0
97.06542	14.6
97.10162	5.5
102.66028	3.0
104.95534	3.1
105.07038	86.6
107.08604	53.2
109.06523	8.8
109.10167	45.6
111.08091	3.8
111.11726	4.0
115.05453	6.0
115.48680	2.9
117.07049	15.5
119.08595	100.0
120.09330	3.8
121.06507	8.5
121.10143	45.3
123.08050	4.5
123.11703	12.1
128.06224	9.1
129.07011	8.8
130.07794	9.9
131.08575	36.6
133.10146	42.2
135.08044	12.0
135.11711	16.4
137.09653	5.2
137.13261	10.9
141.07010	4.5
142.07816	12.7
143.08569	28.1
144.09413	4.8
145.10159	41.6
146.07280	8.7
146.34479	2.6
147.08058	6.9
147.11693	24.7
149.09648	12.5
149.13278	7.7
155.08594	7.4
156.09351	14.8
157.10150	41.2
158.10812	3.0
159.08066	4.1
159.11716	26.5
161.09622	36.1
161.13263	14.6
163.11143	3.3
169.10156	8.2
171.11708	24.9
173.09618	3.9
173.13307	17.5
175.11253	8.0
175.14841	17.0
177.16380	18.1
179.08636	3.9
180.87233	2.8
181.10129	4.0
182.10876	3.1
183.11719	12.1
184.12366	3.1
185.13260	13.1
187.14815	9.0
189.12830	2.8
189.16418	10.5
194.10909	4.9
195.11703	7.4
197.13293	8.1
199.11069	2.7
199.14876	10.2
201.16357	8.3
203.17998	5.0
209.13319	14.5
211.14813	6.8
213.12749	3.6
213.16484	3.0
215.17911	5.8
219.11507	3.2
223.14934	2.7
225.16457	4.9
227.14337	5.4
227.18045	2.9
233.47435	2.8
235.15067	3.3
239.17877	2.9
241.19536	9.5
243.21043	3.8
255.21109	9.6
259.20511	3.2
267.20944	4.1
272.43536	2.8
281.19089	2.5
323.27356	3.0
333.25824	5.9
351.26767	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	3alpha,20alpha,21-Trihydroxy-5beta-pregnan-11-one
Peak:m/z	Relative Intensity
53.03925	2.4
55.01877	10.6
55.05517	9.5
57.03424	1.8
57.07074	5.3
67.05508	16.6
69.03429	2.2
69.06745	1.8
69.07076	19.5
71.04987	4.2
71.08617	5.4
77.03900	1.6
79.05504	14.6
81.07063	29.1
82.63601	1.6
83.04990	3.0
83.08640	3.3
85.06539	1.9
91.05485	14.2
92.53506	1.5
93.06506	2.0
93.07056	22.8
95.04970	17.9
95.08615	26.1
97.06538	10.9
97.10176	2.4
99.08067	4.7
102.13659	1.6
105.07039	15.2
105.98276	1.4
107.08598	16.9
109.06528	64.6
109.07288	3.3
109.10172	8.2
111.08105	1.5
117.07025	2.4
119.08583	14.0
121.06512	11.5
121.10162	10.9
123.08064	3.8
123.11696	3.6
129.06964	3.1
131.08598	12.9
133.10155	9.3
135.08031	7.2
135.11696	3.8
137.09610	5.3
143.08574	2.9
143.10756	1.8
145.10123	11.7
147.11659	7.9
149.09630	3.8
149.13193	1.7
151.11168	2.3
155.08565	2.0
157.10100	2.3
159.11691	6.6
161.13231	4.4
163.11201	12.7
165.12764	54.1
169.10127	1.7
171.11690	4.5
173.13269	6.1
175.11172	2.7
177.12660	2.1
183.11668	1.6
187.14827	3.7
189.06207	1.5
191.14310	6.1
197.13287	3.5
199.14841	1.8
201.12753	1.5
205.15910	2.1
221.15327	3.1
229.14543	2.6
233.15433	4.3
260.79681	1.6
261.22128	7.5
271.20703	3.0
277.59094	1.3
277.95126	1.3
279.20679	1.7
289.21640	66.8
295.19009	8.1
333.24524	5.2
351.25345	100.0
373.56204	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01864	7.2
55.05509	33.6
57.03442	18.0
57.07070	5.9
61.61046	2.4
64.40209	2.2
65.03944	3.7
67.05508	81.6
69.03413	2.7
69.07069	31.1
71.04990	2.7
71.08633	48.8
71.09218	3.4
79.05498	53.6
81.03427	6.4
81.06594	4.7
81.07061	85.3
83.04979	15.7
83.08641	16.0
85.06532	5.5
91.05482	49.3
93.07049	88.5
95.04977	15.9
95.08613	54.6
97.06539	11.4
97.10172	8.1
99.07495	3.9
99.08105	38.5
105.04538	2.4
105.07029	51.1
107.04948	11.8
107.08599	58.8
109.06521	10.8
109.10164	34.7
111.08071	6.7
113.09654	3.1
117.07079	11.1
119.08583	36.5
121.06526	3.8
121.10154	42.6
123.08099	5.4
123.11716	9.3
129.07014	6.0
131.08572	16.8
133.06528	2.3
133.10129	37.8
134.10522	2.5
135.08080	5.4
135.11702	44.7
137.09641	6.2
137.13197	2.7
139.11212	3.3
143.08595	9.4
145.10136	21.7
147.08089	3.4
147.11690	20.3
149.09637	4.0
149.13261	17.4
151.11205	19.4
152.43993	2.2
153.54517	2.3
157.10146	11.0
159.11700	13.6
161.09554	4.4
161.13255	22.0
163.11209	7.5
163.14825	4.4
163.59204	2.3
165.12737	4.7
169.10098	3.7
171.11667	10.7
173.11893	2.6
173.13295	8.2
175.14827	5.4
177.12738	3.7
179.14326	100.0
183.11708	8.6
185.13280	11.5
187.14876	6.8
189.12761	3.7
195.11694	5.4
195.13716	2.4
197.13336	5.7
199.14841	7.4
201.16443	2.5
207.11830	2.3
213.16322	4.8
221.15479	4.6
225.16394	3.2
235.16959	6.2
237.16304	4.6
241.19521	6.7
259.20624	19.8
277.21646	34.6
302.50531	2.2
305.22577	3.7
333.25507	4.3
351.25726	49.8
351.31055	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
55.01876	4.9
55.05313	2.2
55.05515	22.6
55.54758	2.4
57.03422	6.2
57.07048	3.3
57.14517	3.0
65.03940	5.4
67.05508	82.5
67.26933	2.4
69.03400	2.7
69.07067	25.6
71.04976	5.1
71.49365	3.4
79.05499	58.7
81.03400	5.1
81.06599	5.3
81.07058	100.0
83.04970	4.5
83.08614	14.0
85.06522	6.0
91.05474	44.6
93.06497	5.4
93.07047	82.4
95.04982	8.2
95.08611	85.9
97.06514	6.8
97.10142	5.4
99.08095	4.9
105.07035	51.5
107.08597	55.0
109.02876	3.1
109.06529	20.3
109.10155	36.6
111.08064	5.0
115.03910	5.5
117.07025	16.1
119.08583	47.2
121.06503	6.8
121.09341	4.6
121.10143	45.0
123.11695	11.5
127.03900	12.5
129.07018	10.4
131.08569	27.5
133.10130	43.9
135.08003	4.2
135.11694	40.3
137.09555	2.8
143.08554	10.9
144.97334	2.9
145.10115	25.1
147.11696	40.2
149.09627	4.9
149.13249	25.3
155.08540	3.8
157.10120	15.2
159.11690	19.7
161.09608	5.3
161.13243	27.5
163.11191	6.4
163.14810	6.9
165.12752	10.8
169.10124	3.2
171.11694	13.7
173.13258	12.6
175.11168	4.7
175.14827	14.1
177.12712	4.3
177.16493	3.0
181.10056	3.0
183.11690	4.2
185.13254	12.4
187.14833	6.8
199.14792	13.5
209.13321	4.6
211.14876	4.9
213.16287	6.7
217.19539	3.9
231.20972	6.7
241.19571	24.3
259.20578	56.7
277.18417	2.9
277.21582	6.5
281.18942	3.8
287.23587	4.5
289.21667	12.0
305.08292	3.2
315.23090	11.1
333.24310	21.2
351.19351	3.1
351.25699	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.0
55.01873	13.0
55.05510	38.0
57.03448	24.9
57.07086	6.3
64.81227	3.5
65.75128	3.4
67.05510	98.0
69.07069	35.6
71.05000	6.5
71.08636	63.8
71.49970	4.0
73.57536	3.5
79.05495	77.9
81.03433	5.9
81.07059	92.4
83.04984	12.2
83.08620	17.5
85.06549	8.3
91.05483	49.7
93.07047	95.1
95.04974	15.3
95.08614	77.0
97.06538	14.2
97.10178	8.6
99.08110	40.7
103.71173	3.6
105.07024	52.5
107.04960	8.0
107.08601	68.2
109.06527	10.2
109.10161	32.3
109.47784	4.1
111.08074	14.3
113.09700	5.7
117.07021	10.2
119.08601	42.8
121.10152	46.4
123.08123	4.5
123.11686	4.9
125.09655	7.3
129.07037	8.3
131.08559	13.2
133.10117	34.5
135.11703	55.2
137.13202	5.0
141.09090	8.8
143.08568	10.7
145.10153	18.0
147.11703	25.5
149.13235	18.3
151.11186	25.4
157.10126	12.9
159.11710	19.1
161.13240	30.0
163.11243	13.4
163.14827	6.9
165.12794	10.4
169.10155	4.4
171.11711	13.2
173.13310	8.4
175.14867	7.2
177.12860	6.5
179.14330	100.0
181.10146	4.7
182.14995	3.3
183.15231	3.4
185.13292	12.8
187.14795	7.4
189.12830	4.2
199.14824	6.3
202.47760	3.4
213.16461	4.8
221.15440	7.3
223.14749	4.7
235.16927	9.0
241.19577	8.8
258.74237	3.7
259.20630	23.3
277.21637	56.6
351.25912	57.0
351.30786	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
53.63366	2.0
55.01862	4.3
55.05517	22.6
55.70720	2.6
57.03433	7.9
57.07068	7.2
65.03937	3.3
67.05511	61.3
69.07075	21.0
69.57858	2.2
71.04988	4.4
71.08613	5.6
71.50296	3.6
73.12996	2.4
79.05496	70.9
81.03415	3.0
81.07062	73.4
83.04984	3.2
83.08617	10.1
85.06516	5.0
91.04922	3.1
91.05486	68.6
93.07048	98.0
93.14723	2.3
95.04970	4.8
95.08612	47.8
97.06545	5.4
97.10184	4.6
99.08100	11.0
103.05473	3.2
105.04552	2.6
105.07037	76.7
107.04929	2.4
107.08608	59.8
109.06528	2.5
109.10160	18.7
111.08057	3.3
113.09691	2.2
117.07018	15.2
119.08593	78.0
121.10150	45.6
123.11697	5.5
127.50037	2.4
129.07010	15.5
131.08589	32.2
133.10153	61.3
135.11700	45.0
137.09665	5.0
142.07811	3.9
143.08592	14.4
145.10132	30.8
147.08055	3.0
147.11710	54.4
149.09637	3.5
149.13275	27.1
151.11180	5.1
155.08527	2.7
157.10159	13.1
159.11702	27.3
161.09656	3.7
161.13269	47.3
163.11182	7.6
163.14844	9.1
165.02325	2.6
169.10126	5.8
171.11682	21.7
173.13283	16.3
175.11284	4.3
175.14844	19.8
177.12784	6.3
179.14346	6.0
181.10167	2.9
183.11714	3.3
185.13260	17.7
187.14799	6.9
189.12680	4.7
197.13258	4.0
199.14825	14.7
201.16360	2.8
203.14232	2.7
213.16348	7.7
231.21074	6.9
241.19542	33.7
249.16321	3.1
259.20605	100.0
277.21609	7.1
307.27557	2.3
314.62726	2.1
319.09763	2.6
333.24622	3.3
351.25674	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.2
55.01853	3.6
55.05517	18.7
57.03417	6.6
57.07068	3.4
65.03929	3.5
67.05511	44.8
67.05860	1.7
67.55064	1.9
69.06728	2.1
69.07068	21.1
71.04958	2.7
71.08605	2.6
71.50745	3.4
77.87595	2.2
79.05497	64.4
81.06615	3.1
81.07059	59.2
83.08612	10.3
85.06528	2.7
89.20901	1.8
91.05490	56.6
93.07049	100.0
95.04958	4.3
95.08617	43.8
97.06513	4.1
97.10153	2.7
99.08067	6.9
105.07036	68.5
107.08601	72.2
109.06499	4.3
109.10159	21.9
111.08060	2.6
113.09596	2.8
117.07021	13.2
119.08584	61.3
121.10149	50.0
123.08100	4.5
123.11671	8.4
128.06267	1.9
129.07022	9.9
131.08582	25.5
133.09128	3.2
133.10138	57.4
135.08073	2.6
135.10721	2.7
135.11694	46.7
137.09578	3.0
141.06961	1.8
142.07741	2.8
143.08554	15.7
145.10123	26.3
147.07999	2.4
147.11700	52.7
149.09560	2.9
149.13263	26.5
151.11214	3.8
155.08492	2.4
157.10158	14.7
159.11702	27.6
161.09668	2.2
161.12016	3.1
161.13277	45.6
163.11200	5.2
163.14809	7.6
167.08626	2.1
169.10107	3.2
171.10291	2.6
171.11707	20.3
172.12320	1.8
173.13261	16.6
175.11157	5.3
175.14832	23.6
177.12682	5.1
177.16322	3.0
179.14287	3.8
181.10042	2.2
183.11717	4.2
185.13289	20.9
187.14781	6.0
189.12715	4.7
195.13701	2.1
197.13237	3.7
197.54480	2.0
199.14857	16.0
201.16313	4.1
203.14282	3.7
205.15817	2.3
205.66751	2.1
211.14755	2.7
213.16344	6.2
215.14362	2.7
215.17874	2.9
217.15985	2.8
217.19472	7.3
221.15428	2.2
225.16371	1.8
229.15715	2.3
231.17410	3.9
231.21124	10.0
235.17091	2.6
241.19530	38.4
259.20581	91.7
263.17874	2.0
277.19318	2.1
277.21652	21.8
279.21121	2.1
279.37689	1.9
323.40662	1.7
333.24387	8.1
351.25534	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01868	5.0
55.05517	20.8
57.03440	9.4
57.07073	4.7
65.03937	4.5
67.05511	54.0
69.03442	2.6
69.06744	1.8
69.07072	24.0
70.56226	5.7
75.04475	3.3
79.05499	65.5
81.07060	67.2
83.04983	3.5
83.08624	9.9
85.06532	4.7
91.05487	61.8
93.07050	100.0
95.04970	6.7
95.08608	49.1
95.38703	1.7
97.06508	4.2
99.08080	6.4
105.07039	68.8
107.08594	67.1
109.06522	6.8
109.10165	19.9
112.00905	2.0
115.05481	2.3
117.07027	17.2
119.08588	66.2
121.06509	2.3
121.10155	52.8
123.11699	6.2
127.88011	1.8
129.07040	10.7
131.08572	29.8
133.10136	59.0
135.08043	4.8
135.10707	3.0
135.11696	44.5
137.05984	19.0
137.09627	2.8
143.08556	17.1
145.10144	30.5
147.08031	3.3
147.11703	52.5
149.09598	3.2
149.13263	26.9
156.09319	3.2
157.10149	17.0
159.11699	24.8
161.09636	4.4
161.13269	34.6
163.11235	4.7
163.14815	10.2
169.10168	2.1
171.11693	18.3
173.13286	15.2
175.11198	4.6
175.14838	20.0
177.12791	3.7
177.16393	3.1
180.19533	1.7
183.11729	4.9
185.13280	15.2
187.14842	8.0
189.12825	3.7
189.16443	1.9
191.14203	2.8
195.11729	2.7
197.13289	2.8
199.14873	14.3
201.16351	4.0
203.14375	4.5
203.17999	2.6
205.15926	2.0
213.16353	6.5
215.17990	3.4
217.19504	6.2
223.14682	3.2
231.17381	6.0
231.21059	8.1
241.19499	33.1
259.20590	87.7
260.20959	2.6
263.18152	2.3
277.18106	5.7
277.21637	12.7
333.24533	6.8
351.25607	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	0.9
56.96568	11.6
57.03429	0.5
67.28568	0.5
69.03423	1.7
69.76811	2.8
70.06599	0.7
70.98116	0.6
71.95271	0.9
84.96053	3.3
85.02896	2.2
86.89088	0.5
88.66383	0.5
93.23524	0.4
97.02896	2.2
98.97589	100.0
101.00882	1.7
109.02908	0.9
110.97570	9.1
110.98255	0.9
112.99126	2.2
113.00860	1.0
115.00661	0.9
116.98624	19.1
116.99461	1.0
119.01942	1.2
121.01616	0.8
124.99144	1.6
126.96990	0.5
127.00687	1.3
128.98602	4.9
129.02267	1.0
131.00235	1.0
131.01918	1.1
133.01701	0.5
134.99666	2.0
140.98642	1.6
143.00165	3.3
143.01933	1.5
144.98106	0.7
145.01764	1.8
145.03477	2.0
146.99648	1.8
147.03285	1.7
152.98601	1.5
153.01836	3.8
153.02928	0.8
155.01909	1.4
156.98143	0.7
157.03461	0.7
158.75081	0.5
158.99667	34.6
161.01224	1.6
161.02991	1.2
161.08437	0.6
162.99168	0.6
163.03940	1.5
165.04385	0.6
169.03468	0.6
170.99675	3.6
171.01392	1.5
171.03267	4.0
173.02921	0.7
174.99158	0.9
175.02823	0.6
177.00719	17.0
185.01476	0.6
189.00818	3.7
189.02509	1.8
189.04329	7.2
193.03935	0.5
201.00748	3.4
201.02386	1.1
203.04100	1.3
205.00137	0.5
207.01781	1.4
207.05423	1.1
217.00226	0.6
219.01770	12.5
221.05069	1.8
231.01736	1.6
231.03685	3.3
231.05470	1.7
237.02817	10.5
239.06079	0.9
241.97466	0.6
249.02655	0.9
251.04478	0.6
275.06210	0.8
291.04297	1.1
291.07492	19.2
309.08572	42.8
310.08841	0.5
332.10135	0.7
336.06763	0.9
351.05640	1.3
351.09695	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75092	56.8
70.75434	23.3
93.07070	25.5
100.11291	31.7
139.03894	31.5
147.04384	39.3
153.12749	100.0
181.71936	22.9
188.07115	25.7
189.98895	22.5
196.84979	22.0
241.99942	26.4
299.21249	27.9
350.23743	30.3
351.12259	32.7
356.62601	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	351.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82891	3.2
57.08141	3.3
62.56820	3.8
64.34319	3.7
72.27642	3.6
75.14149	3.7
90.02644	3.7
95.16758	3.5
192.43773	4.5
201.28001	4.0
287.43732	3.8
351.06860	100.0
351.12207	12.2
352.07483	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03957	1.2
55.01863	1.5
55.05518	8.0
57.03438	2.9
57.07069	1.7
61.52362	1.0
67.05510	8.2
69.07073	10.8
71.04987	1.8
79.05484	7.1
81.07069	10.0
83.08612	4.3
91.05479	3.7
93.07052	8.4
95.08628	9.5
97.06543	1.7
97.10177	1.4
98.20708	1.7
101.37997	0.8
105.07033	6.9
107.08596	7.7
109.06538	10.3
109.10198	4.5
111.08067	2.5
111.31168	1.0
117.06992	1.2
119.08616	5.4
121.10158	4.5
123.08077	65.8
123.11719	1.2
131.08562	2.5
133.10164	4.4
135.08078	5.9
135.11717	2.7
137.09615	4.4
145.10139	2.2
147.11676	1.9
149.09674	2.0
149.13287	1.7
159.11697	2.5
161.13234	1.2
163.11183	1.1
179.14261	4.7
208.71605	1.0
219.63867	1.0
275.20169	3.0
293.21167	17.0
325.40723	1.0
331.26376	4.1
349.27417	100.0
350.27689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69038	3.4
65.03925	4.7
69.03429	3.9
70.06598	5.3
70.69134	5.7
70.69478	7.5
81.03446	5.1
81.92269	3.8
85.02923	19.0
93.03382	5.6
111.04459	30.5
126.14435	3.7
127.03875	4.6
139.03906	80.0
152.35216	3.5
163.03964	7.0
171.06540	100.0
180.04236	3.4
202.96223	3.5
207.29514	3.9
369.71167	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	28.0
55.57334	7.3
56.32550	7.2
58.46936	7.6
67.22041	7.8
69.07050	14.3
69.82584	16.1
69.82984	33.1
70.06598	16.2
81.07052	15.3
83.08625	16.5
86.09713	14.4
93.07047	26.3
95.08638	11.8
100.11259	100.0
101.11610	16.2
107.08604	33.0
109.10188	24.5
117.13935	9.9
135.11697	24.0
141.11559	9.2
147.04413	10.0
153.12738	28.1
182.15443	29.1
189.05548	9.3
209.16490	13.0
210.14944	23.0
211.15303	11.7
213.67947	10.7
227.17558	15.1
227.67772	15.9
277.22952	43.6
343.30618	9.2
344.31015	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62841	31.6
59.99010	28.8
70.46650	100.0
79.91565	32.4
91.05477	41.1
93.07063	93.5
107.04917	32.4
107.08608	64.5
135.11691	85.8
280.90002	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05518	5.8
57.07058	1.7
67.05511	5.1
69.06744	0.7
69.07076	8.9
70.21519	1.5
71.04987	1.3
79.05504	4.2
81.07069	7.8
83.04992	0.6
83.08623	3.7
85.06554	0.8
91.05465	1.2
92.70392	0.6
93.07057	6.5
95.08617	7.0
97.06528	1.4
103.05361	0.6
105.07014	2.4
107.08617	4.5
109.06528	10.5
109.10152	2.4
111.08083	1.8
119.08549	3.5
121.10148	3.1
123.08077	63.9
123.11699	1.8
125.09660	0.7
131.08569	0.6
133.10136	2.2
135.08044	4.7
135.11713	1.9
137.09595	3.0
145.10179	1.1
147.11647	1.4
149.09608	0.8
149.13240	2.4
159.11790	0.7
161.13237	1.2
163.11209	0.6
165.12712	0.9
173.13284	0.8
179.14322	11.3
233.19034	1.0
275.20166	2.4
289.25134	0.9
293.21130	17.6
303.26837	0.9
307.22861	0.9
331.26300	3.7
349.27390	100.0
350.27826	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.48186	0.4
55.01868	0.4
55.05520	2.8
57.07084	5.0
60.82351	0.4
67.05503	4.1
69.07071	2.9
69.23038	4.4
71.04984	0.8
71.08656	3.0
79.05492	2.9
81.07059	6.6
83.04983	1.0
83.08603	1.4
85.06557	2.3
91.05473	2.0
93.07045	3.8
95.04974	1.0
95.08613	7.2
97.06531	1.4
97.10141	0.7
99.08088	2.4
105.07037	3.9
107.08115	0.4
107.08614	3.7
109.06525	17.6
109.10171	2.2
117.07011	0.8
119.08592	3.6
121.10154	3.7
122.07270	1.8
123.08079	24.6
123.11704	0.4
125.56006	0.4
129.07010	0.7
131.08585	1.6
133.10146	2.9
135.08054	3.4
135.11679	1.4
136.08844	0.5
137.09601	0.5
143.08548	1.3
145.10152	2.3
147.11700	0.9
149.09679	0.9
157.10127	1.0
159.11707	1.9
161.13309	0.9
165.12814	0.9
167.14247	0.6
169.10144	0.5
171.11763	1.0
173.13173	0.8
175.14827	0.7
179.14323	100.0
180.14645	0.9
183.11821	0.5
185.13216	0.6
187.14793	0.8
193.15955	2.5
197.13229	0.5
207.11568	0.5
209.13312	0.7
211.14873	0.5
227.14494	0.7
280.56689	0.5
284.02499	0.5
289.25131	0.5
293.21198	0.9
303.27029	0.6
331.26508	3.1
349.27448	77.9
350.27951	0.9
361.21667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
53.80867	1.5
55.01854	7.3
55.05515	18.7
57.03437	16.7
57.07058	3.7
58.25581	1.7
59.97350	2.3
65.03954	1.8
66.66813	1.6
67.05505	38.5
67.32381	1.7
69.07072	24.5
69.94733	7.8
71.04997	3.3
78.83313	1.5
79.05491	34.0
81.06609	2.3
81.07057	37.8
83.04980	9.8
83.08611	6.6
85.06528	2.5
91.05485	34.3
93.07043	43.1
93.33011	1.8
95.04974	10.3
95.08607	29.6
97.06522	6.1
97.10155	2.4
105.07028	43.6
107.04951	14.7
107.07896	2.1
107.08595	32.8
109.06522	13.3
109.10146	13.7
111.08059	3.6
117.06999	12.9
119.07807	2.7
119.08592	31.1
121.06501	16.0
121.10145	15.6
123.08052	5.4
123.11682	4.6
124.64961	1.6
128.06206	2.0
129.06999	5.9
130.07816	1.9
131.08565	25.8
133.06499	3.5
133.10135	29.2
135.08051	7.6
135.11702	8.5
137.06000	2.5
137.09592	2.3
143.07547	1.8
143.08490	9.0
145.06497	3.0
145.10123	26.6
147.08049	4.7
147.11699	18.7
149.09613	10.0
149.13251	5.1
151.11163	4.8
155.08557	5.5
157.10114	8.2
159.08020	2.7
159.11699	12.4
161.09607	7.4
161.13237	5.5
163.11125	6.3
169.10136	6.1
171.11679	6.7
173.09592	4.1
173.13237	9.6
175.11159	4.9
175.14784	1.9
177.12798	3.8
181.10052	3.0
183.11700	7.1
185.13242	5.2
187.11198	1.7
187.14812	4.7
191.14316	3.9
195.11766	2.8
197.13229	6.9
199.14865	3.7
201.12764	6.1
207.13805	4.4
209.13194	1.9
210.13969	1.6
211.14757	2.7
215.14360	2.9
215.17969	2.6
219.13754	3.9
229.19554	4.5
237.16527	2.4
239.17938	6.4
247.20509	6.4
257.19040	18.2
275.20078	100.0
293.21112	5.7
331.23962	5.7
349.24371	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03491	2.9
53.03940	10.4
55.01870	14.1
55.05518	56.0
57.03444	17.6
57.07069	7.1
64.33504	3.1
67.05514	65.3
69.03442	6.1
69.07072	35.0
71.05002	5.1
71.49689	5.7
79.05499	100.0
81.03424	8.4
81.07061	74.0
83.04974	25.3
83.08616	21.0
85.06554	4.2
91.05489	61.6
93.07045	91.0
95.01340	7.4
95.04964	18.7
95.08617	49.6
97.06528	17.3
97.10187	18.3
99.08138	3.8
105.07039	67.2
107.04979	37.6
107.08596	72.0
109.06508	4.6
109.10155	27.8
111.08091	7.4
115.98515	2.7
117.07009	22.8
119.08584	49.1
121.06527	6.2
121.10146	37.0
123.08085	10.4
123.11729	8.1
125.09652	10.5
129.07002	7.1
131.08563	37.6
133.10144	59.0
135.08102	10.8
135.11700	17.3
137.09689	5.1
137.13286	3.5
142.07747	3.2
143.08582	12.1
144.09250	3.9
145.10153	29.2
147.08089	7.2
147.11702	25.2
149.09627	46.1
149.13287	8.2
151.23172	3.0
155.08585	7.9
157.10164	18.9
159.11682	29.4
161.09660	4.7
161.13289	9.8
163.11177	7.4
165.12917	4.0
167.08562	6.1
169.10161	10.2
169.12257	4.3
171.10361	4.3
171.11748	11.9
173.11891	4.5
173.13196	18.0
175.14873	7.3
177.12814	6.3
179.14320	18.9
181.10017	5.4
183.11725	11.6
185.13264	14.0
187.11105	4.5
187.14822	11.2
189.11272	7.5
195.11690	9.4
197.13321	13.3
198.14139	4.0
199.14799	3.9
207.11755	6.7
209.13245	9.4
209.15384	7.1
211.14827	8.1
213.16475	4.6
221.13243	4.3
223.14853	10.2
225.16313	4.7
229.15749	3.9
229.19502	5.1
233.13348	3.7
235.14986	3.6
237.16376	8.1
239.18015	11.0
247.14722	4.8
251.17918	5.3
253.19662	3.5
257.19083	8.5
263.18185	3.1
275.20105	42.6
277.19501	5.2
279.21014	4.2
331.24026	7.3
349.24783	70.2
349.28885	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	349.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
55.05497	3.8
56.05024	4.4
57.03439	11.4
58.99582	9.6
61.04796	2.2
69.03446	2.6
71.05003	3.3
71.49010	3.4
75.58085	1.8
76.02235	12.0
79.05493	13.3
81.03429	1.9
81.07060	100.0
84.03997	4.3
84.04507	83.4
85.01138	3.9
85.02908	5.0
86.00658	8.1
86.99045	10.1
87.02700	50.6
88.03968	1.9
91.05496	2.0
93.07076	3.2
97.06521	3.9
98.09716	3.3
99.08087	12.5
105.00110	15.3
113.04231	3.2
120.04484	2.2
122.01868	3.4
122.02740	69.9
130.04984	16.0
132.01154	19.1
142.03220	3.5
147.04350	2.1
151.07532	3.6
151.80119	1.7
152.07973	3.9
156.08398	4.4
157.06924	2.1
159.04721	15.1
165.80707	2.6
169.12219	3.9
174.09462	3.8
176.07436	2.6
187.03625	2.7
188.03745	5.6
202.08974	96.4
203.07394	32.8
210.11261	5.2
220.10100	17.4
234.04337	5.9
251.07143	3.8
286.11160	3.9
303.13626	3.0
331.13007	12.2
332.11661	4.4
349.08984	11.6
349.14120	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	349.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45226	22.1
69.45634	9.4
82.99844	10.6
85.82831	4.6
101.00893	70.4
113.00860	42.2
115.02406	7.7
117.41718	4.4
119.01929	38.7
126.98829	5.8
131.01912	49.5
133.03471	7.8
139.02438	5.3
143.01915	31.0
145.03502	6.0
155.01881	15.2
157.03430	8.7
161.02992	16.5
168.99817	41.4
169.06889	11.2
173.02966	19.9
180.99814	12.6
185.02994	10.7
187.00929	30.7
187.07880	8.2
196.99394	26.8
199.00891	11.2
201.02437	5.5
203.03926	9.2
215.00378	76.4
219.03542	7.1
221.05067	24.0
229.01976	43.4
231.03487	11.4
239.06200	18.5
241.01881	13.3
247.03015	79.3
259.03043	19.0
282.10330	5.9
289.03909	23.9
317.03506	25.4
349.05478	13.5
349.08939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	5.9
54.81054	5.5
55.01869	6.7
55.05510	21.4
57.03429	12.3
57.07062	7.2
59.53417	5.7
60.04521	6.7
67.05509	70.1
69.07063	18.9
70.10103	5.4
70.11338	27.4
71.05003	5.9
79.05490	21.6
80.55248	6.6
81.07065	51.0
82.07423	7.7
83.08617	17.8
91.05482	21.1
93.07044	45.0
94.07381	8.5
95.08604	24.1
99.08099	8.5
105.07040	22.0
107.08614	20.0
109.06512	6.5
109.10178	84.6
111.08106	9.2
117.07022	7.9
119.08574	33.0
120.08936	13.7
121.06538	7.8
121.10150	12.0
123.08123	8.3
123.11690	6.5
125.09623	13.9
131.15694	6.2
133.10129	20.9
135.11708	11.7
136.11993	8.4
137.09598	6.3
139.07434	6.2
145.10040	8.7
147.11642	11.7
149.13301	10.9
151.11121	8.6
155.08440	6.3
155.10692	28.4
160.12109	8.4
161.13258	12.5
162.13641	6.1
173.11757	100.0
173.13206	11.4
174.13542	6.4
177.12784	10.0
189.11188	14.2
200.74828	5.6
264.47144	7.3
277.21655	32.4
295.22736	13.4
312.23990	27.9
330.25107	8.4
348.26318	43.3
349.19989	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	348.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93486	2.8
55.05521	5.0
57.50322	2.4
59.04988	4.3
60.44243	2.8
61.93179	3.1
63.87331	2.6
64.54547	2.8
66.30628	3.0
67.05514	5.4
69.03419	4.4
69.07046	2.6
71.04998	6.2
71.49298	4.0
77.80469	2.8
79.05519	3.4
81.03464	3.5
81.07076	14.4
81.27220	3.0
85.02897	13.1
91.05438	3.9
93.07022	3.4
95.04990	3.8
95.08596	4.5
97.02882	4.9
99.04452	7.1
100.11227	4.3
105.07027	3.5
107.08624	13.7
109.06521	6.2
109.10143	21.7
111.08085	28.6
123.08108	4.2
123.11718	32.9
127.03921	3.3
141.12769	5.9
151.11212	18.1
169.12247	100.0
224.68933	2.9
348.13489	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	348.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37411	1.0
67.05509	6.0
69.03431	1.3
71.49377	0.9
79.05515	1.4
81.07063	6.6
85.02924	3.9
91.05466	3.0
93.07018	1.9
95.04961	3.2
95.08618	1.5
97.02876	1.6
100.11267	1.0
105.07030	1.8
105.74133	1.0
107.04961	1.2
107.08586	8.5
107.61436	1.1
109.06520	4.1
109.10166	100.0
121.01099	1.0
121.06492	1.3
123.11729	5.7
133.10139	2.9
137.05879	1.0
147.04437	2.2
148.04752	2.2
149.06000	1.3
151.11197	71.0
167.07042	1.6
169.12254	35.9
175.07500	2.2
176.07976	3.1
181.08568	1.5
182.08986	1.6
197.16652	1.0
267.26157	0.9
273.42487	1.1
301.10425	1.0
302.11078	1.6
303.53983	1.1
348.12537	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27142	1.2
65.49460	1.1
67.05489	3.8
68.07875	1.2
69.03422	4.0
69.07068	3.2
71.04974	3.9
71.49077	1.7
75.07501	1.1
81.07062	6.1
83.04974	1.2
85.02905	8.2
85.06543	3.9
86.95471	1.1
89.96559	1.0
91.05493	1.5
91.76648	1.2
93.07037	2.6
95.04961	3.4
95.08609	3.1
97.02872	1.8
99.04446	2.6
104.32719	1.4
105.07029	2.1
107.08590	6.7
108.25795	1.2
109.06504	9.7
109.10168	54.8
109.49124	1.3
113.05976	1.3
123.08079	2.4
123.11716	4.4
124.62337	1.4
125.09623	5.5
127.03955	1.9
130.06534	2.5
133.10143	2.9
136.06178	1.2
137.05983	1.7
151.11179	23.9
153.01822	5.2
169.12251	100.0
176.06969	2.1
263.48615	1.2
303.04941	2.7
342.90268	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2583
Annotation	CHEBI:91274
Peak:m/z	Relative Intensity
52.28194	2.3
53.03948	4.1
55.05513	15.2
57.03445	4.8
57.07072	3.7
59.05004	3.6
60.48766	2.7
67.05510	28.7
69.03435	11.9
69.07082	18.3
71.04996	3.8
71.49747	4.5
74.02442	3.0
79.05493	21.0
81.03407	11.6
81.07065	39.8
83.04971	9.8
83.08608	9.3
85.06525	3.7
91.05094	2.1
91.05505	24.2
93.07049	44.1
93.49924	2.6
95.04972	21.3
95.08610	43.3
97.02869	3.2
97.06555	6.3
97.10152	4.7
99.08093	5.2
99.69585	2.4
101.06032	5.6
105.07050	44.9
107.04949	5.1
107.08603	52.2
109.02895	3.6
109.06505	14.5
109.10165	40.8
111.04443	6.8
111.08107	15.6
115.05419	2.9
117.06995	11.2
119.08589	59.9
121.06538	16.9
121.10149	35.0
123.04425	3.7
123.08089	17.0
123.11703	16.1
125.09615	5.4
129.05470	4.7
129.07022	7.0
130.07739	3.3
131.08571	24.6
133.06445	2.6
133.10139	44.8
135.08067	10.6
135.11702	30.1
137.05966	4.6
137.09628	6.7
137.13272	3.4
139.07550	10.1
142.07797	4.6
143.08594	12.9
144.09325	4.7
145.10138	33.0
147.08026	7.5
147.11697	33.5
149.09612	9.5
149.13261	13.0
151.07530	3.6
155.08559	7.3
156.09331	7.8
157.10156	23.2
158.10939	3.3
159.11697	25.4
161.09608	5.0
161.13237	32.3
163.11160	9.5
163.14828	6.8
165.12819	6.2
167.08527	3.0
169.10158	11.8
170.18044	2.6
171.11719	18.9
173.09602	3.6
173.13280	20.1
175.07559	4.6
175.11230	14.6
175.14879	18.2
177.12737	10.8
179.08586	3.4
181.10130	6.3
183.11656	9.9
185.13283	16.4
187.11224	6.8
187.14804	25.4
189.12732	23.5
189.16394	6.4
191.14311	3.8
193.10205	3.2
193.12331	2.7
195.11694	7.7
197.13281	8.4
199.14825	8.6
201.11160	7.1
201.12807	6.0
201.16504	15.0
203.14302	9.4
203.17920	3.3
205.15862	4.3
209.13326	6.0
211.14798	6.9
213.16406	8.7
215.14255	7.9
217.15999	3.6
223.14830	7.8
227.14281	5.6
227.18013	3.0
229.15823	4.5
235.14864	3.9
237.16414	6.0
239.17882	5.0
241.15877	6.3
241.19637	3.4
243.17505	3.4
250.17015	3.0
251.18054	3.1
253.19588	4.9
258.27255	3.1
263.17947	3.2
267.09106	3.5
267.20996	3.3
271.20682	4.0
283.06302	5.8
283.24197	11.3
285.10095	3.5
293.22610	30.4
296.21365	4.4
301.25177	2.6
311.23709	66.9
329.21228	8.0
329.24756	100.0
347.22253	25.0
347.25873	46.1
348.26398	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
53.07069	2.0
54.67609	2.1
55.05504	11.1
57.03424	3.4
57.07066	3.4
67.05504	20.2
68.65307	2.3
69.03440	6.5
69.07066	13.3
76.92650	2.0
79.05491	18.7
81.07061	42.2
83.04979	3.1
83.08615	4.4
87.46191	2.1
88.62904	2.2
91.05491	23.9
93.07045	48.2
94.15717	2.1
95.04973	9.4
95.08611	43.4
97.06542	7.7
97.10141	2.6
105.07033	29.7
107.08598	45.4
109.06522	22.1
109.09475	3.1
109.10170	32.2
111.08059	6.0
117.07019	6.1
118.44610	2.4
119.08586	53.0
121.06505	21.0
121.10145	35.4
121.92759	2.0
123.08067	31.8
123.11716	16.5
125.09675	4.5
129.06993	5.1
131.08598	11.2
133.06512	3.1
133.10129	39.8
135.08076	12.3
135.11700	24.3
137.06006	2.7
137.09619	4.9
137.13264	5.7
139.07510	11.8
139.11172	2.4
143.08594	6.7
145.10143	20.3
147.08061	3.4
147.11685	25.6
149.09618	5.0
149.13287	9.2
151.11240	3.2
156.09450	2.7
157.10117	12.7
159.11700	20.8
161.09660	10.6
161.13249	18.5
163.11241	4.8
163.14883	6.2
165.12718	2.6
169.10130	4.9
171.11705	10.3
173.09636	3.8
173.13274	13.5
175.11246	10.0
175.14882	9.7
177.12778	3.9
177.16437	4.9
182.11066	2.3
183.11687	5.1
185.13327	8.5
187.11253	4.9
187.14798	15.9
189.12735	10.4
189.16405	18.8
191.10680	2.4
191.14291	3.3
191.17960	3.4
193.10219	2.8
195.11739	3.2
197.13271	5.4
199.14819	6.3
201.12782	3.2
201.16411	7.8
203.18001	15.8
207.17453	2.8
209.13335	4.3
211.14854	3.0
212.92863	2.3
213.16464	4.2
215.14337	4.8
215.18027	7.5
217.16026	3.4
223.14833	4.8
227.14395	5.4
237.16360	2.9
241.15952	3.9
255.17500	6.2
269.18854	3.5
283.24121	6.4
293.22534	12.7
311.20215	3.0
311.23676	65.8
329.21246	4.0
329.24747	28.6
337.48288	2.3
347.22726	6.1
347.25912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2583
Annotation	CHEBI:91274
Peak:m/z	Relative Intensity
53.98984	1.9
55.05520	12.2
56.96593	2.8
57.03430	2.8
57.07078	3.1
57.61308	2.1
67.05514	16.1
69.03442	5.5
69.07074	11.7
69.53828	8.1
69.54237	4.1
75.36213	2.0
79.05505	14.7
81.07069	30.6
82.74999	1.9
83.04975	2.9
83.08630	7.4
91.05489	18.8
93.07053	32.8
95.04964	12.8
95.08615	38.2
97.06528	4.6
99.08119	2.2
105.07044	36.7
106.10501	2.1
107.08604	43.9
108.09029	2.5
109.06526	12.5
109.10160	34.1
111.08100	12.0
111.52778	2.2
117.07031	8.5
119.08595	48.2
121.06538	23.1
121.10147	30.1
123.08077	33.4
123.11736	16.3
129.07027	4.6
131.08580	17.6
133.06558	2.3
133.10152	29.2
134.03810	2.0
135.08084	10.6
135.11711	34.2
137.05988	3.2
137.09647	6.5
137.13358	3.3
139.07600	2.9
141.07010	3.0
142.07811	5.3
143.08597	11.2
145.10130	34.0
147.08018	4.5
147.11679	20.0
149.09656	7.5
149.13254	11.2
151.11224	3.3
155.08574	6.2
156.09381	3.4
157.10164	17.5
159.11703	19.6
161.09579	4.1
161.13255	17.8
163.11261	4.6
163.14859	4.1
165.07018	2.7
167.08682	3.1
169.10146	9.5
170.10875	2.6
171.11728	12.2
173.09642	23.4
173.13280	12.9
175.11182	10.2
175.14804	9.9
177.12801	7.0
178.16876	2.4
181.10178	4.2
183.11720	7.7
185.13304	8.8
187.11339	2.9
187.14796	23.1
189.12817	12.2
189.16417	2.4
191.14342	2.5
195.11752	7.0
197.13345	8.4
199.14897	7.0
201.12807	7.5
201.16380	10.3
203.14410	7.4
203.18018	2.9
205.15860	3.4
207.11688	2.6
209.13214	5.0
211.14854	4.1
213.16463	6.7
215.14372	10.7
221.13455	2.6
223.14958	6.1
225.16441	4.7
227.14401	5.2
235.14874	3.0
237.16455	7.2
241.15918	3.8
251.17879	3.3
253.19601	5.2
255.17441	3.0
261.94424	2.0
263.18146	2.7
281.19119	2.7
283.24353	6.7
293.22662	22.0
296.21426	5.6
311.23721	56.8
323.53452	2.2
329.20963	2.9
329.24820	70.7
347.25967	100.0
348.26505	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2581
Annotation	CHEBI:91274
Peak:m/z	Relative Intensity
53.03937	4.2
55.01168	1.6
55.05504	6.0
57.07066	3.3
67.05522	9.5
69.03418	5.5
69.07066	10.0
79.05506	11.8
81.07066	21.1
83.08644	4.2
85.02845	2.1
85.06538	2.0
85.32029	1.6
91.05484	18.4
93.06490	3.4
93.07050	46.2
95.04976	6.4
95.08614	35.4
97.06528	5.5
97.10165	2.0
98.21577	2.8
102.36564	1.8
103.05479	2.5
105.07043	22.2
107.04939	1.7
107.08603	36.8
109.06534	17.5
109.10166	24.4
111.08089	3.8
117.07047	6.3
119.08593	63.7
121.06535	20.5
121.10158	25.8
123.08089	18.2
123.11713	11.4
125.05997	7.8
129.06940	2.5
131.08580	9.0
133.06424	2.1
133.10144	31.8
135.08098	6.2
135.11711	28.6
137.09567	3.6
137.13234	5.5
139.07565	16.3
142.07805	2.9
143.08562	4.0
144.09380	2.1
145.10138	22.4
147.11707	21.3
149.09604	5.0
149.13272	7.0
151.07535	4.3
151.11203	2.2
157.10104	6.9
159.11714	23.6
161.09605	8.1
161.13310	9.5
163.11273	2.7
163.14821	10.0
169.10124	4.0
171.11739	6.7
173.09633	5.1
173.13228	9.8
175.11250	3.7
175.14827	12.6
177.12799	4.4
177.16347	2.7
183.11696	4.0
185.13295	5.5
187.14857	10.6
189.12767	7.0
189.16426	28.0
189.18039	1.8
190.17160	7.4
191.14294	3.0
191.17957	6.5
197.13260	5.3
199.14813	2.3
201.12680	3.2
201.16386	4.3
203.17964	14.4
207.13696	1.8
207.17461	23.4
209.13373	2.2
211.14899	3.2
213.16463	5.9
215.14366	4.0
215.17996	2.8
221.19011	2.7
222.81384	1.9
223.14752	3.0
225.16365	2.1
227.14334	2.2
227.17957	8.1
227.20119	2.0
229.15703	2.1
233.15363	4.8
237.16444	2.4
244.55363	1.8
245.15443	3.3
251.18068	2.4
253.19484	2.4
283.24078	2.4
293.22650	11.5
295.75824	2.0
311.23709	57.7
329.21255	3.7
329.24814	12.7
347.25848	100.0
348.26279	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.149
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
53.03950	7.3
53.72493	4.1
55.01872	6.5
55.05506	5.5
62.29038	4.0
67.05502	9.0
69.03435	30.7
69.84219	22.6
71.04987	4.8
79.05499	33.0
81.03410	20.0
81.07050	16.4
85.16499	3.8
91.05495	53.5
93.07040	53.6
95.04972	23.6
95.05489	4.1
95.08603	15.0
97.02854	4.8
98.21498	7.8
99.04462	5.8
102.10522	3.9
103.05458	18.5
105.07036	41.8
107.04964	41.9
107.08604	47.5
109.02905	4.9
109.06498	8.2
115.05429	6.3
117.07010	15.1
119.04935	7.7
119.08567	20.5
121.06523	32.5
121.10158	6.3
123.04421	21.4
123.08057	5.9
124.05189	7.9
128.06235	13.3
129.06992	44.8
131.04897	9.6
131.08627	20.2
132.01396	4.6
133.02838	7.0
133.06575	5.4
133.10139	14.4
135.04401	7.4
135.08060	9.2
135.11723	25.3
136.12833	4.4
137.05980	28.3
141.07016	8.5
142.07793	5.5
143.08563	18.4
145.06480	7.4
145.10158	20.7
147.04414	52.3
147.08073	22.3
147.11696	10.0
149.05992	27.2
151.03859	8.5
151.07558	11.5
151.61899	4.4
152.04684	5.6
152.06140	5.7
153.05458	18.1
153.06885	4.2
155.08528	11.0
156.09480	4.7
157.06477	17.6
157.10115	15.4
159.11674	9.3
161.06006	12.6
161.09615	6.9
163.07558	15.5
163.11188	16.0
165.06949	11.5
165.09256	4.8
165.12729	8.7
166.06235	8.5
167.07074	100.0
167.08464	11.8
169.10170	5.1
175.07555	95.7
175.11171	7.0
179.07072	6.6
180.07846	7.8
181.06459	6.3
181.07004	7.1
181.08624	74.2
183.11723	6.5
185.09586	5.3
187.11154	6.9
193.08553	11.2
193.12228	16.4
195.08109	14.8
197.09518	6.1
197.13206	7.1
198.06769	4.4
199.11188	5.1
201.27817	3.9
209.06152	6.1
212.07968	4.3
212.78618	4.3
215.14232	5.2
219.08165	6.0
223.07558	9.8
223.11078	6.4
225.12801	11.8
226.06360	5.3
239.07098	5.7
241.08675	6.0
243.10089	6.2
243.13754	29.8
251.10631	8.3
253.08638	6.8
261.14886	27.6
265.08737	4.5
269.08127	5.0
271.09641	14.7
279.10095	5.3
283.10623	10.2
288.09775	9.4
297.11209	7.3
299.09656	5.0
301.10815	33.7
303.12210	12.5
310.12616	5.0
311.10223	13.5
314.31302	5.8
329.11273	18.2
329.14151	14.8
347.11874	15.8
347.14960	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	347.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.6
55.01855	14.7
57.03428	6.0
65.03928	7.0
67.05508	8.0
69.03407	15.8
70.74147	11.8
70.74493	5.7
77.70776	4.9
79.05477	21.8
81.03403	8.5
81.07050	11.5
85.02906	11.0
85.06528	6.7
90.30554	4.7
91.05491	46.1
92.05012	9.1
93.07044	23.3
95.04959	14.8
97.06516	7.6
103.05461	12.2
105.04474	5.5
105.07020	18.4
107.04940	37.7
107.08580	9.6
115.05457	10.3
116.00181	5.0
116.39989	5.3
117.07037	11.1
119.04932	15.1
120.04453	9.9
121.06525	35.1
121.10091	4.8
123.04444	24.5
123.07964	5.9
124.05187	5.8
128.06216	9.1
129.07019	32.3
131.04922	12.8
131.08601	14.2
133.02855	9.9
133.06467	8.6
135.04414	9.5
137.05989	60.5
138.05513	6.9
143.08575	6.1
145.06491	10.4
147.04417	81.8
147.08037	21.0
149.05975	35.8
150.06731	5.9
151.03853	6.8
151.07529	15.0
152.04587	6.0
153.05458	31.4
153.06718	7.3
155.08557	6.5
157.06470	16.2
160.05089	7.6
161.06010	13.8
162.06761	6.2
163.07532	25.2
165.05446	15.4
165.07008	17.9
166.06277	10.1
167.07066	94.1
170.07291	5.6
173.05988	12.6
175.07552	100.0
177.05524	7.9
179.07060	30.0
180.07828	14.4
181.06439	5.4
181.07007	7.1
181.08615	81.0
193.06558	6.7
193.08598	16.1
195.08107	14.1
197.09569	8.9
209.05775	5.7
211.07526	9.2
219.07977	6.4
222.06627	5.9
223.07536	12.1
223.11244	7.2
225.09200	7.2
226.08624	6.8
241.09721	10.2
251.06987	5.7
253.08342	7.9
255.10043	6.2
259.10745	6.8
269.08115	11.5
271.09598	16.9
273.11368	7.1
279.10272	6.3
287.10300	10.7
297.11169	10.6
301.10727	27.0
329.10913	9.4
329.14297	8.0
347.11777	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19299	0.9
53.03955	9.8
55.01869	1.6
55.05501	2.4
57.03428	3.6
65.03945	1.3
65.20864	1.3
65.31553	1.0
67.05499	4.2
69.03427	9.2
71.03877	1.1
71.04610	2.2
71.04996	38.2
71.48991	1.7
74.16415	1.0
79.05496	1.4
81.03423	100.0
83.04969	4.0
85.02895	3.4
85.06555	11.0
87.44901	1.1
91.05501	2.6
95.04987	8.5
97.02894	4.8
99.04460	40.8
103.05482	2.0
109.02879	1.8
111.04417	2.6
113.06011	4.4
127.07568	16.9
129.05493	1.2
131.04958	1.5
131.07030	3.0
137.05997	5.8
139.03868	2.5
141.05432	2.6
145.08611	48.3
147.04416	4.3
149.05978	1.9
155.07054	11.6
157.04971	30.0
162.06700	1.8
167.07028	3.2
175.07581	3.7
181.08626	2.5
217.07085	4.0
329.12244	4.6
333.20636	1.4
347.13162	3.2
347.16956	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1316
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.82568	1.4
67.89190	1.4
68.20851	1.4
69.03436	3.6
69.17795	1.4
69.39384	11.1
70.06580	2.8
84.08139	2.0
85.02907	4.7
86.09687	2.7
113.70406	1.7
125.51014	1.6
130.53278	1.4
135.04451	1.7
137.00896	1.4
137.02367	2.5
163.03897	3.2
167.06807	3.6
171.84306	1.4
184.12595	1.5
185.04247	5.3
185.07849	16.7
191.92828	1.4
203.05266	7.7
217.08188	1.9
285.13199	6.5
301.12656	25.9
329.06763	1.5
347.13150	100.0
347.16812	9.2
348.13303	1.9
349.89566	1.4
365.21698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01885	1.0
56.96564	7.5
57.03431	2.4
59.05013	0.7
60.32432	0.7
61.02910	2.3
69.03430	7.1
70.06587	1.7
71.04977	0.8
71.48616	1.1
72.24023	0.6
73.02906	2.9
79.05497	0.8
79.74951	0.7
81.03425	3.2
82.99823	4.1
84.08144	2.0
84.96030	1.2
85.02912	12.6
85.63283	0.8
86.03246	0.9
86.09698	0.8
87.04456	2.1
89.03941	0.8
91.05488	1.6
95.04979	0.8
97.02894	5.3
98.97602	11.3
99.04452	1.2
101.00889	19.8
103.02410	0.7
107.06934	0.7
108.08127	9.8
109.02891	1.3
109.08453	8.8
110.97568	3.4
112.02142	0.8
112.07581	1.3
113.00867	1.4
113.03515	3.9
115.02422	0.7
116.98603	3.3
118.83826	0.6
119.01933	21.1
119.04941	1.2
121.48956	0.6
124.07659	0.9
124.99058	1.1
127.03915	3.1
128.98615	2.3
129.10283	1.1
131.00151	0.9
131.01926	3.6
133.06487	0.7
134.06003	1.3
135.04413	1.9
135.12604	0.6
136.06223	1.6
136.07570	2.9
137.02959	1.1
137.05992	3.5
137.07938	1.9
141.04083	0.7
143.00114	2.7
143.01906	100.0
144.02031	2.1
145.03496	1.0
145.04971	1.6
146.02263	0.9
146.99548	1.1
147.04384	4.1
152.07080	6.0
153.01891	4.2
153.07405	5.6
155.00150	1.0
155.01932	2.9
155.05577	0.6
156.03300	0.8
157.03467	1.1
157.09782	0.8
158.99660	2.5
161.02968	81.3
162.03087	1.4
163.03908	6.0
168.03671	1.1
168.05516	0.8
169.06198	0.9
170.99698	1.4
173.01323	1.2
173.02945	3.1
174.04460	1.0
176.05199	3.1
177.00758	2.1
177.04237	1.4
177.05795	0.8
182.03395	1.0
183.09090	0.8
184.04637	2.1
185.01344	1.4
185.04065	1.4
185.06505	1.1
185.09218	1.4
186.04501	2.8
189.00653	1.2
197.06573	1.3
201.00766	2.2
203.04021	43.3
207.05447	1.2
208.04839	0.8
209.06772	1.1
209.96152	0.8
215.06607	0.9
219.01817	4.3
221.03090	0.7
221.05101	2.8
227.07555	1.6
237.02812	4.4
240.05861	1.2
245.05122	2.0
254.12668	0.8
257.06723	3.1
261.02927	1.2
266.06424	0.8
284.13223	1.0
287.09763	11.5
305.10828	1.2
315.12683	5.6
339.04028	0.8
347.12097	2.8
347.15778	7.6
348.07175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31073	8.4
55.05510	25.8
67.05512	98.9
69.07075	22.2
71.08206	21.5
79.05488	29.8
81.07047	43.1
83.08619	20.2
91.05474	23.3
93.07038	29.1
93.53486	9.8
95.08594	27.1
97.10188	23.8
98.97579	21.5
105.07027	25.2
107.08595	31.1
109.10166	74.2
111.08103	11.5
113.93748	9.0
119.08574	26.7
122.87769	9.3
125.09646	14.5
131.08485	9.8
133.10123	16.3
137.06018	11.6
138.06239	12.1
155.10719	56.6
159.11694	14.6
170.52701	9.3
173.11777	100.0
189.11267	15.7
195.13925	11.7
220.51735	9.4
244.99794	13.2
261.03409	9.3
275.20117	39.2
278.40063	10.8
293.21158	12.9
346.13971	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01870	0.7
56.96552	2.5
57.03431	2.5
61.02928	3.5
64.41293	0.5
65.03936	1.3
67.05509	3.7
69.03432	11.8
70.06586	1.2
71.48567	0.6
72.08147	1.4
73.02934	3.1
79.05485	1.4
81.03429	4.5
81.07059	1.6
84.08128	0.8
84.96055	1.0
85.02908	13.2
87.04462	2.0
91.03973	0.8
91.05464	1.1
91.50803	0.6
93.05806	1.1
97.02895	8.0
98.97588	6.4
99.04471	1.0
101.00905	2.3
106.06566	2.4
108.08122	100.0
109.02885	1.8
110.97590	2.1
112.07584	0.8
113.00887	0.6
116.98622	2.1
119.01910	2.3
123.06818	4.0
124.07597	14.1
124.99156	1.0
125.02388	0.9
127.03948	4.1
128.98604	0.9
134.06012	9.9
135.04401	0.7
136.07590	20.7
137.05942	1.1
137.08376	1.0
138.09167	0.8
143.00224	1.5
143.01915	9.9
145.01662	0.6
145.02716	0.6
145.05028	1.2
146.99620	0.7
147.04433	1.0
148.07513	0.9
152.07074	58.4
153.01828	6.3
154.02171	2.1
154.08626	2.2
158.06746	0.7
158.99689	1.5
160.06403	0.9
160.98235	0.6
161.02963	8.0
163.03900	4.2
166.05035	1.2
166.08618	3.5
167.03154	0.6
170.99683	1.6
175.02536	0.8
179.22238	0.6
182.99632	0.8
184.04765	0.8
184.06273	0.8
184.09692	6.8
186.04381	0.8
199.04431	0.7
201.00723	1.7
203.03973	3.9
211.35785	0.6
219.01823	2.2
221.05310	0.9
237.02875	1.7
243.01903	0.6
243.04468	0.6
245.05142	1.0
253.03638	1.1
261.02814	1.7
265.07791	0.9
279.03711	0.8
287.09695	1.3
300.12283	0.7
314.12338	35.3
323.06406	1.0
336.03030	0.7
346.14996	60.2
347.15668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93756	2.7
60.26270	2.8
70.51642	5.7
70.59244	3.3
82.21378	2.7
91.05476	7.2
103.05461	13.2
105.07099	2.8
107.04949	3.2
117.07088	3.7
121.06538	4.0
122.03648	2.9
131.04961	15.5
135.08093	4.8
137.05991	52.5
151.07555	12.9
153.44978	2.8
158.04570	3.1
162.06529	3.3
163.07558	37.4
175.07523	5.3
177.09122	100.0
181.04913	3.8
195.10188	8.4
203.10742	4.9
239.06956	3.7
299.12616	5.2
309.70813	3.3
313.10492	4.9
313.13663	4.0
344.71750	2.8
345.13104	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01871	8.2
55.05514	22.5
57.03422	3.1
57.07071	8.6
59.74478	3.2
67.05502	31.1
69.03395	3.8
69.07072	54.2
70.06593	2.9
71.05009	5.3
71.49949	5.6
79.05497	19.2
81.03430	6.3
81.06596	6.4
81.07059	100.0
83.08628	16.1
85.02960	4.0
85.06548	18.8
91.05489	11.8
93.07029	32.1
95.04948	5.5
95.08614	77.8
96.12147	3.2
97.06521	4.6
97.10183	9.2
99.08108	6.8
103.05488	3.0
105.07049	13.1
107.04987	3.7
107.08601	31.3
109.10181	33.1
111.04416	5.6
111.08100	16.5
111.11715	11.9
117.07037	3.2
119.08571	7.2
119.28392	3.5
121.06530	3.0
121.10146	15.9
123.04453	8.3
123.11694	32.7
125.13303	3.9
127.11209	6.4
129.07028	3.2
131.04915	5.0
131.08525	6.3
133.06537	3.8
133.10081	6.0
135.11708	13.7
137.05984	23.2
137.13266	28.8
137.42934	3.1
139.03935	4.2
139.11194	3.2
145.10187	4.1
147.04454	8.7
147.11711	7.5
149.13248	27.9
151.03883	8.4
151.07553	5.7
153.12767	12.9
155.14343	7.7
159.11702	5.9
161.13268	3.7
163.03940	3.0
163.14842	9.2
165.05634	3.8
165.07018	6.3
165.12793	2.9
171.26483	3.4
175.07571	3.4
181.04964	4.3
181.06476	3.8
191.03421	8.1
191.07030	6.9
191.17828	3.3
193.08678	4.0
198.06696	3.3
207.08083	4.5
210.06763	3.8
211.07513	7.2
213.05484	4.4
221.09500	3.9
223.07672	4.0
239.07042	8.4
256.07352	4.5
261.03940	3.9
264.08127	3.8
267.10144	7.5
269.08118	4.4
291.26761	7.7
295.09665	5.9
297.27686	3.4
299.09155	16.4
299.12503	6.6
309.27905	13.5
313.10614	17.1
327.12112	15.5
345.09601	6.0
345.13324	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	6-Methoxycomaparvin 5-methyl ether
Peak:m/z	Relative Intensity
52.97184	1.3
55.01869	4.0
57.03458	1.5
58.57567	1.4
65.03936	3.6
67.05488	2.1
68.67426	1.3
69.03428	1.6
69.25089	11.8
77.51048	1.4
79.05492	3.4
91.05475	4.9
91.56842	1.5
93.07049	1.9
95.04951	2.2
95.08578	1.7
103.05445	2.2
104.45609	1.5
105.07023	2.0
107.04967	8.2
109.02873	2.0
110.03722	1.6
115.05441	2.6
117.07030	4.8
119.04934	1.9
119.44247	1.4
121.02888	17.6
121.03789	2.4
121.06557	2.1
123.04439	1.6
125.05985	2.4
129.07007	2.7
131.04915	6.0
131.08556	1.7
133.02811	1.4
135.04321	1.6
137.05959	6.7
141.07001	3.0
144.05836	1.3
145.06487	8.2
147.04434	3.4
147.07986	1.8
148.05193	1.3
149.02345	2.6
151.07503	2.2
152.06206	3.2
153.05450	1.6
153.06975	7.7
155.08554	5.8
157.06577	2.2
161.05956	1.7
163.07567	4.4
165.05620	2.3
165.06998	23.0
165.08344	2.3
166.07744	3.3
167.07088	2.4
167.08583	4.0
168.05766	2.6
169.06491	5.2
170.07213	2.9
173.06001	3.3
174.06786	4.5
175.07579	2.0
177.06897	2.2
177.09142	6.0
178.07787	5.7
179.08536	3.2
181.04959	9.2
181.06516	10.9
182.07265	4.5
183.08018	10.1
193.06485	3.0
193.10153	4.6
194.07245	2.5
195.08076	5.6
196.08853	5.9
197.05956	9.0
198.06729	6.9
199.07513	2.7
202.07719	3.2
203.08615	3.4
205.06538	3.0
206.07269	3.5
207.08031	6.5
208.08836	1.5
209.05986	2.8
209.09647	1.6
210.06795	8.2
211.07574	25.7
211.11133	4.2
212.08290	2.3
213.05492	3.2
213.09261	1.6
219.08081	1.6
221.05959	2.0
221.09528	6.9
222.06717	1.8
223.07568	10.6
224.08302	8.0
225.05508	3.8
226.06261	25.0
227.07097	1.9
228.04170	2.4
234.06773	2.5
235.07544	4.6
237.05540	2.7
237.09157	1.7
238.06259	6.0
239.07048	66.0
239.10664	17.6
240.07770	5.5
241.05042	2.3
241.08646	5.2
243.06555	5.2
243.10123	2.1
249.09021	4.2
251.06999	3.6
252.07880	4.9
253.08600	3.9
254.05887	3.5
254.88542	1.5
255.06544	15.2
256.07269	2.8
267.06604	8.0
267.10150	13.7
269.08047	10.2
270.08914	6.3
271.06064	1.6
271.09842	2.0
277.08560	1.8
283.06113	3.4
283.09546	1.8
284.07007	3.4
284.10349	2.3
285.11221	25.1
286.08374	10.9
295.09686	8.3
299.09146	54.5
299.12775	25.0
313.10696	100.0
314.11273	2.9
317.13803	4.3
327.12274	23.1
345.13333	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
54.65766	0.7
55.01867	2.0
55.05511	1.3
65.03938	6.2
67.05470	1.1
68.02630	1.0
68.99781	1.0
69.03425	0.9
69.07045	1.3
69.23900	0.8
70.83242	1.2
70.83587	1.9
79.05501	1.8
81.03423	1.4
83.05031	1.0
85.02895	1.7
91.05464	1.9
93.03402	3.5
95.04960	1.4
95.08576	0.9
96.02108	5.4
103.05439	0.9
105.07020	1.6
107.01322	2.9
107.04938	1.1
111.04444	29.5
115.05456	2.4
116.06144	0.9
117.07008	2.3
123.04458	2.2
128.06247	1.1
129.07036	4.6
130.07843	0.8
131.04968	1.5
131.08478	1.2
137.02330	1.4
137.05945	4.8
139.03909	15.3
141.06995	2.6
142.07758	1.6
143.08513	0.9
144.05650	2.2
145.06479	4.7
146.07277	1.3
147.04440	1.1
147.08028	1.9
149.74724	0.8
151.07513	1.0
152.06273	2.1
153.05524	2.0
153.07002	4.9
154.07712	1.6
155.08531	1.9
157.06505	6.7
159.08044	7.0
160.08813	6.3
161.05977	7.0
161.09608	2.8
162.06747	1.8
165.06995	3.8
166.07706	2.1
167.03421	7.3
167.08578	3.7
168.05695	5.4
169.06499	5.7
170.07307	2.3
171.08025	2.9
173.06020	2.0
175.07535	1.9
177.09108	1.5
177.31050	0.9
178.07745	4.7
179.08603	5.3
180.05667	1.1
181.06461	8.8
181.10085	0.8
182.07289	4.4
183.04405	1.3
183.07994	4.1
184.05217	1.1
184.08763	1.2
185.05930	6.4
185.09602	3.0
186.06712	1.2
187.07529	6.3
188.08333	9.5
189.07211	1.0
189.09059	3.2
190.07799	1.8
191.08522	1.3
194.07243	1.5
195.08037	7.2
196.05122	5.5
196.08862	2.8
197.06027	5.8
197.09590	5.5
198.06763	19.7
199.07529	3.4
199.11200	1.2
200.04816	1.0
200.08345	2.7
205.06577	1.7
206.07248	2.3
207.04425	1.0
207.08118	6.5
208.08894	2.1
209.05922	5.7
209.09630	1.4
210.06743	5.2
210.10468	1.1
211.07588	9.5
211.11131	4.9
212.08240	2.9
213.05475	9.7
213.08994	4.8
214.06183	1.7
215.06989	1.7
219.08069	1.7
221.09644	3.5
222.10420	1.5
223.07478	7.9
224.04858	1.8
224.08278	6.6
225.05435	3.5
225.09154	3.7
226.06271	8.4
227.06996	5.7
227.10571	1.4
228.04178	1.4
228.07806	6.0
228.11337	1.7
234.06783	2.4
235.07541	5.2
236.08247	2.1
237.05406	2.5
237.09142	2.6
238.06328	4.1
238.09854	10.7
239.07042	26.3
239.10626	17.0
240.07829	12.2
240.35695	1.1
241.05032	5.6
241.08597	13.9
243.06522	15.6
243.10204	1.8
249.09045	4.2
250.10036	1.2
251.07028	4.5
252.04196	1.6
252.07780	5.8
253.04996	2.6
253.08609	11.7
253.12271	5.4
254.05733	2.9
255.06540	5.1
256.07300	17.6
256.10880	2.6
257.08029	1.5
258.08871	2.5
263.06982	1.6
265.04715	1.0
265.08612	1.5
266.09277	2.6
267.06631	4.6
267.10150	30.1
268.07364	23.4
268.10757	3.5
269.08075	28.2
270.08804	1.5
271.06442	1.1
271.10144	5.7
271.13135	7.1
277.08728	1.0
281.08102	4.8
281.11755	6.0
283.09576	1.9
284.06851	4.3
284.10428	10.1
285.11209	2.6
286.08386	8.0
295.09680	10.9
296.10489	11.8
297.07523	1.0
299.09137	100.0
299.12747	20.8
300.09534	1.4
309.11368	1.5
312.09879	2.4
313.10684	22.9
313.14322	1.2
317.13962	2.2
327.12280	72.3
328.12561	1.8
345.13330	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	6-Methoxycomaparvin 5-methyl ether
Peak:m/z	Relative Intensity
53.00342	1.4
55.01869	2.1
59.17978	1.5
65.03923	2.2
67.05503	1.7
69.84566	7.1
74.24623	1.4
78.74418	1.4
79.05501	1.9
80.56929	1.5
81.07055	1.7
86.81581	1.9
90.22744	1.4
91.05474	4.7
95.04937	2.3
95.08578	2.4
103.05461	2.0
105.03363	1.7
105.07075	1.6
107.04948	7.5
111.04439	2.4
115.05472	4.1
117.07026	3.1
119.04922	1.9
121.02881	16.2
121.06442	2.2
123.04456	2.0
124.05276	1.5
127.03905	1.6
128.06242	1.7
131.04955	5.8
135.04341	2.1
135.42328	1.4
137.05972	4.3
141.07016	2.9
145.06496	7.9
147.04404	3.9
147.08087	2.1
148.05225	2.1
149.02315	3.4
152.06261	3.9
153.05521	1.7
153.06990	6.7
155.08597	4.5
161.06030	2.9
165.06999	15.7
167.07108	4.1
167.08589	4.1
169.06477	3.9
170.07294	4.0
173.05963	2.3
174.06839	2.5
178.07823	9.3
179.08519	5.5
181.04964	7.8
181.06473	9.7
182.07274	3.4
183.08104	10.4
185.05998	1.9
187.54518	1.5
191.07104	2.1
193.06535	4.4
193.10120	3.2
194.07211	2.9
194.97968	1.8
195.07982	7.6
196.08806	4.3
197.06010	6.3
198.06750	7.8
202.07800	3.6
203.08635	3.3
205.06586	3.6
206.07272	3.5
207.08046	7.2
209.05995	3.8
209.09679	2.4
210.06807	9.4
211.07553	23.7
213.05521	3.2
213.09171	3.6
220.05188	1.6
221.05943	2.4
221.09639	5.9
223.07506	8.6
224.08311	7.9
225.05649	2.8
225.09001	1.7
226.06268	18.7
227.07088	2.8
234.06728	3.3
235.07581	4.7
237.05554	2.6
237.09038	2.3
238.06238	4.8
239.04564	2.8
239.07028	58.0
239.10620	18.1
240.07764	3.1
241.04999	2.6
241.08627	6.5
243.06583	5.6
243.97296	1.6
249.09134	2.6
251.07095	5.1
252.07799	4.9
253.08583	3.1
254.05766	5.6
255.06544	15.0
267.06662	9.9
267.10135	14.7
269.04764	2.1
269.08081	10.8
270.08896	5.3
271.05801	2.1
271.09637	4.1
283.06015	3.8
284.06946	2.6
284.10535	4.1
285.08038	3.0
285.11185	24.3
286.08496	9.2
295.09644	6.4
299.09152	52.8
299.12790	31.9
313.10709	100.0
317.13824	5.1
327.12292	24.9
345.13351	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	345.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61202	3.5
56.96564	7.0
57.03418	5.0
61.02918	8.0
61.31368	3.6
69.03422	12.0
73.02920	4.2
79.01889	3.8
81.03455	5.7
85.02906	43.6
87.39580	3.6
91.38808	3.7
97.02900	14.4
98.97571	6.9
101.00897	12.8
119.01917	11.3
127.03940	11.1
131.01949	5.7
143.01889	7.9
143.03372	4.0
143.71799	3.5
145.03360	7.4
145.04990	7.7
153.01840	100.0
153.02910	5.9
155.01907	9.5
157.03505	4.0
161.02953	5.8
163.03891	6.9
166.04965	4.2
167.01945	3.1
173.02957	5.1
173.06589	9.8
183.07620	4.9
185.02969	5.0
187.00978	5.0
187.04381	3.8
194.04324	3.6
211.04547	4.4
213.07843	3.2
219.01781	5.0
245.05113	17.7
266.27496	3.4
275.05975	3.4
277.77094	3.4
294.49045	3.5
331.05472	4.0
345.05814	14.5
345.09470	15.3
345.13190	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	345.0819
Annotation	Theogallin
Peak:m/z	Relative Intensity
51.02387	0.5
55.01870	0.5
56.96563	2.2
57.03426	0.5
61.02922	0.6
67.05484	0.8
69.03435	2.2
69.90420	2.3
73.02937	0.9
79.01862	5.1
81.03415	1.4
83.04978	2.0
85.02921	3.2
91.03969	0.5
95.04977	0.6
95.45602	0.4
97.02879	2.9
98.97604	2.5
99.04452	0.5
101.00871	0.5
107.01308	1.5
109.02884	2.1
110.97621	0.5
111.04460	1.4
113.00869	0.5
116.98606	0.7
119.01926	0.7
119.04996	0.6
124.99093	0.5
125.02338	3.3
127.03938	2.5
128.98579	0.6
129.05478	1.5
130.93343	0.7
131.01892	0.8
136.07607	3.2
137.05983	1.4
137.07941	2.7
139.03951	0.5
143.00211	0.5
143.01851	0.5
143.03410	5.0
145.03476	0.6
145.04997	0.6
147.04344	0.5
153.01840	100.0
153.02910	6.3
154.02209	0.9
155.01857	0.7
158.99684	1.0
161.01163	0.5
161.02980	0.5
163.03947	1.4
167.08649	0.5
171.01494	0.6
171.02808	2.1
172.94341	1.5
175.00897	0.6
177.00893	0.5
181.03543	0.5
182.08151	2.0
183.04977	0.7
183.08488	1.7
185.03023	0.7
187.02713	0.6
195.08102	0.5
197.02930	0.6
201.00867	1.1
203.02342	0.5
216.97163	0.7
219.01886	1.7
219.08025	0.6
225.02498	0.6
236.10609	0.6
237.02853	0.9
240.10164	0.6
243.02049	1.8
245.05225	0.7
250.97545	0.5
253.13452	0.6
255.01918	1.4
273.03073	0.5
282.11328	0.9
299.13989	0.8
320.98090	0.6
327.07159	1.0
328.11835	0.6
345.05826	1.8
345.14124	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	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06161	0.3
55.01874	0.5
55.05515	0.4
56.96569	16.8
57.03440	1.6
57.35831	0.3
61.02925	1.8
65.07996	0.3
67.05509	3.0
69.03444	2.9
69.81593	1.6
69.81933	0.4
70.06604	0.6
70.98126	1.3
71.04984	0.8
71.95270	0.5
73.02924	1.1
74.97618	0.4
75.07125	0.2
79.05482	0.5
81.03425	1.1
81.07059	1.3
81.10394	0.3
83.04971	0.3
84.96042	4.1
85.02907	5.7
86.09678	0.7
87.04451	0.6
88.99180	0.4
91.05484	2.1
93.05801	0.9
95.04996	0.5
97.02898	3.0
98.97588	14.3
99.04476	1.0
99.97914	1.9
101.00890	1.4
101.02383	0.3
108.08124	9.0
109.02886	0.9
110.97579	3.9
111.97910	1.0
112.92289	0.4
112.99128	1.2
113.00881	0.4
113.03494	0.6
116.00505	0.3
116.98617	5.2
117.98973	0.7
118.06576	0.7
119.01907	1.1
119.04939	1.1
120.02046	0.4
123.04442	0.4
124.95519	0.4
124.99133	0.5
127.03914	2.0
128.98619	3.7
129.98885	0.6
130.93317	4.9
131.00183	0.9
131.01895	0.7
132.10204	0.3
133.03445	0.3
134.03554	0.4
134.99664	1.4
136.07585	100.0
137.07895	0.4
140.98599	0.6
141.01291	0.4
143.00169	1.0
143.01901	0.9
144.94827	0.4
144.98102	0.4
145.03471	0.8
145.04987	0.7
146.06023	1.7
146.99680	1.4
149.02905	0.4
153.01782	0.4
154.93239	0.7
156.03474	0.4
156.98132	0.4
157.03554	0.5
158.99716	0.9
161.01208	1.2
161.02892	0.5
163.02650	0.4
163.03899	0.6
164.07074	22.9
165.00793	0.6
165.05441	0.7
166.05090	0.4
168.03177	0.4
168.98050	0.8
168.99355	1.0
169.99611	0.9
170.99652	0.7
172.94344	3.8
172.97557	0.8
173.01382	0.4
173.02925	1.2
173.94710	0.6
174.04611	0.6
174.95911	0.6
174.97690	0.5
174.99124	0.7
175.00969	0.7
177.00816	1.0
179.02161	0.5
182.08136	88.4
182.99696	0.5
183.04999	0.6
183.08412	0.5
185.02942	0.5
186.98856	0.4
187.00397	3.2
188.00671	2.4
188.97198	0.5
188.99200	0.5
189.00850	0.6
189.02322	0.5
190.01131	0.7
190.95381	2.8
190.98613	0.4
191.95775	0.5
192.96622	1.0
193.98978	0.3
198.03110	0.3
200.01054	0.4
201.00818	0.7
202.01099	0.6
202.55226	0.6
202.98672	0.3
203.02269	0.5
203.03940	0.5
204.96965	0.7
205.01485	1.1
205.97290	0.3
206.01711	0.6
206.06990	1.0
207.03558	0.4
208.96274	0.5
211.01886	0.5
212.00682	0.9
212.97047	0.4
214.95515	0.8
215.00531	0.4
216.96896	0.4
216.98691	0.9
219.01854	1.3
220.02168	0.6
224.00877	0.3
224.08025	0.9
226.02142	0.7
228.99023	0.4
229.01381	2.2
230.01807	1.7
230.98140	4.8
231.00237	0.5
232.02275	0.3
232.96423	2.0
233.96741	0.7
235.03017	0.4
237.02747	0.7
241.01282	0.4
242.01660	0.9
243.02016	0.6
245.05052	0.5
246.97939	0.5
248.02902	0.5
248.99190	16.6
250.03262	0.4
250.97522	0.4
254.01753	0.6
254.05472	0.4
255.01910	0.8
256.04797	0.3
261.03107	0.6
267.00211	5.9
277.03506	0.4
290.97256	0.3
291.97427	0.7
301.95856	0.6
308.11102	0.4
319.97000	1.1
320.04614	0.7
326.12292	0.7
337.98251	0.4
338.05930	0.3
344.06274	3.7
344.13409	34.1
345.05673	0.5
345.13162	0.6
362.07635	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	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
59.30396	0.9
61.02934	1.0
69.03432	3.4
70.55043	1.1
70.55386	2.0
75.15054	0.9
81.03419	1.1
85.02914	17.0
91.05503	4.5
97.02897	3.6
98.21480	0.9
99.04505	0.9
109.02869	0.8
119.04957	19.0
120.01009	0.8
123.04491	1.8
127.03925	2.5
139.23454	0.8
145.04996	3.6
147.04428	100.0
148.04755	1.3
165.05499	54.6
180.08749	1.7
189.57780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.263
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
50.68417	0.5
51.02365	0.6
52.15710	0.6
53.03960	1.5
55.01875	1.1
55.05516	5.2
57.07066	1.8
65.03943	0.8
67.05506	11.9
69.03418	2.0
69.07071	5.6
69.25222	0.6
71.04983	0.6
71.50736	1.0
79.05500	7.0
81.03413	0.7
81.07058	13.2
83.04973	2.3
83.08614	3.3
88.68785	0.6
91.05483	11.3
93.07048	24.5
95.04953	3.6
95.08607	26.4
97.06535	2.5
97.10181	1.0
99.08104	1.0
103.05457	1.3
105.07034	11.7
107.04933	0.9
107.08591	18.9
109.06519	10.0
109.10157	17.4
111.08095	4.0
113.96408	1.2
114.03108	0.6
115.05520	0.6
116.97195	1.0
117.07014	4.1
119.08586	18.4
121.06503	3.5
121.10151	13.8
123.08080	5.4
123.11696	5.0
125.09648	5.6
129.06995	1.5
130.07806	0.7
131.04929	0.6
131.08588	6.8
131.97464	0.9
133.10135	10.8
135.07997	3.4
135.11697	10.1
137.09621	100.0
139.98822	1.0
141.06941	0.8
143.08571	2.2
144.09348	1.5
145.10129	14.0
147.11684	7.4
149.09604	1.9
149.13258	2.7
151.07451	0.7
151.11177	4.1
154.99011	1.0
155.08562	0.7
157.10136	5.1
158.10867	0.7
159.11700	16.0
161.06003	0.9
161.09628	1.0
161.13263	7.9
163.07536	0.8
163.11171	6.5
163.14838	1.5
165.12753	1.2
169.10135	1.1
169.29298	0.7
171.11688	3.4
172.12601	0.7
173.09694	1.1
173.13292	7.2
175.07590	0.8
175.11252	0.7
175.14833	4.0
177.12680	1.2
177.16408	2.5
179.41154	0.6
183.11705	1.8
185.13264	2.4
186.14038	0.9
187.14833	6.3
189.12730	1.4
189.16420	5.6
191.14238	0.8
191.17944	2.4
195.11728	1.7
195.17651	0.6
197.13324	1.8
199.14822	3.2
201.12720	1.1
201.16364	12.6
203.14299	0.9
205.15872	2.3
207.11768	0.9
207.17487	4.6
209.13052	0.7
211.14844	2.1
213.12816	0.8
213.16435	2.3
215.14284	1.0
215.17953	1.3
217.15965	0.9
219.13789	0.7
219.17496	4.8
223.14801	1.9
225.16391	2.6
227.17934	1.8
229.15985	0.6
236.08479	0.7
237.16467	1.3
239.17830	1.1
241.16008	0.9
241.19318	1.0
242.62276	2.0
251.17984	0.9
261.14810	0.8
269.19406	0.9
269.22552	1.4
279.21133	2.7
281.22678	1.0
283.20602	1.5
297.11127	0.9
297.22159	3.9
297.25555	1.5
307.24081	3.5
311.12820	0.8
313.25293	4.2
315.23526	0.7
325.21707	1.9
325.25256	14.2
343.11957	0.8
343.22665	12.2
343.26367	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	7.9
55.01876	9.7
55.05516	27.7
57.03437	6.1
57.07078	9.1
59.05011	7.0
65.03975	5.6
67.05510	39.5
68.05852	3.4
69.03434	13.1
69.07070	7.2
70.34138	7.9
70.34542	6.9
71.05007	24.4
79.05504	38.2
81.07063	42.3
83.04990	12.2
83.08615	5.6
85.06551	6.6
91.05484	43.7
93.06490	5.7
93.07055	83.6
93.41737	3.3
95.04977	65.7
95.08617	98.0
97.06562	21.4
105.07040	100.0
107.04975	5.5
107.08594	62.8
109.06514	16.8
109.10191	17.2
115.05473	7.5
117.07027	36.5
119.08591	35.6
121.06514	19.9
121.10159	22.6
123.08076	38.4
123.11684	5.2
127.51721	3.6
128.06200	4.1
129.07045	7.4
129.34167	3.4
130.07809	19.8
131.08569	15.3
133.06551	8.6
133.10173	23.3
135.08076	25.7
135.11716	21.8
137.05991	4.5
137.09650	13.7
143.08546	17.2
145.10132	94.0
147.08083	18.9
147.11700	9.1
149.09641	8.4
151.07558	53.6
153.09138	6.2
155.08467	3.5
157.10149	10.8
159.08052	4.2
159.11710	11.1
161.09654	4.2
161.13362	5.7
163.11201	70.1
165.09093	21.3
169.10165	4.2
170.10796	3.8
171.11752	11.0
173.13255	7.6
175.11232	5.3
175.14783	4.4
177.09207	5.4
179.07039	3.5
183.11786	4.4
187.11250	5.6
189.09161	4.3
189.12787	15.5
189.16356	6.7
195.11694	3.7
197.13182	5.7
198.58235	3.7
199.11252	3.9
201.12730	5.0
203.14357	11.1
209.15379	3.7
211.72795	3.6
221.15367	37.8
225.12712	5.5
240.23291	5.1
241.15868	5.0
259.16977	4.5
263.16428	8.3
286.19348	4.0
287.16473	4.1
299.80377	3.5
325.21591	12.3
325.25165	4.3
343.22708	90.4
343.26157	5.8
343.29895	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	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03933	7.7
54.50062	2.0
54.92529	2.4
55.01859	7.0
55.05318	1.8
55.05517	19.6
57.03425	9.9
57.07090	10.7
59.04988	5.3
65.03933	3.3
67.05508	34.8
67.70405	2.0
67.78075	2.2
69.03432	11.5
69.07059	10.1
71.04998	20.7
71.50651	3.3
79.05070	3.4
79.05492	34.0
81.03409	3.1
81.07065	42.4
83.04974	4.4
83.08610	3.8
85.06544	7.9
91.05484	44.2
93.07048	82.1
95.04380	3.6
95.04974	67.9
95.08615	96.0
97.06544	20.2
99.08105	2.6
103.05464	5.0
105.04543	2.9
105.06319	4.8
105.07037	96.0
107.04948	7.4
107.07881	4.4
107.08601	71.2
109.06517	19.5
109.10136	8.8
115.05455	9.5
117.07024	37.7
119.04885	2.9
119.08591	40.9
121.06520	17.2
121.10162	22.2
122.07308	2.8
123.08074	31.0
125.09624	2.9
128.06210	4.0
129.06998	6.4
130.07800	13.7
131.08598	13.2
132.99178	2.3
133.06490	6.0
133.10161	19.9
135.08051	33.4
135.11703	20.1
137.05962	5.1
137.09612	9.1
141.06946	2.5
142.07796	6.3
143.08551	13.2
144.09332	2.6
145.10132	98.7
147.08054	13.5
147.11682	8.5
149.05995	3.0
149.09598	8.3
151.07555	48.8
153.09062	5.4
155.08600	3.9
156.09373	4.8
157.10127	13.1
159.11661	13.4
161.05942	3.9
161.09634	10.5
161.13222	6.8
163.07550	3.1
163.11194	72.3
165.09108	20.1
167.08536	2.4
169.10167	2.9
171.11702	8.9
173.09628	6.9
173.13269	9.5
175.11201	4.1
175.14854	3.0
177.09079	4.6
179.07024	7.4
179.08484	2.4
181.10063	3.2
181.12256	3.2
182.10822	3.5
183.11761	3.7
185.09703	2.3
185.13315	4.8
187.11249	5.8
187.14877	3.7
189.12770	10.7
191.10686	3.7
191.14333	5.2
193.10030	2.5
195.11719	3.8
197.13242	3.8
199.11134	3.3
201.16365	3.1
203.14308	12.1
207.13799	7.3
209.13391	4.1
209.15424	7.4
210.10506	2.5
213.12721	2.4
215.14342	4.2
217.12335	3.2
221.15349	36.3
225.16212	2.6
227.14302	2.8
233.15520	2.7
240.23186	7.2
243.13739	2.3
263.16498	8.4
269.15350	5.3
271.11368	2.6
275.55692	2.6
286.19290	5.5
287.16412	4.2
297.11224	2.9
297.14401	2.6
311.12686	2.8
325.21719	13.3
343.22672	100.0
343.26135	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	6.2
55.01867	6.7
55.05306	1.6
55.05514	17.3
57.03439	10.7
57.07083	10.1
59.04984	8.1
65.03943	3.1
67.05513	33.4
69.03437	17.1
69.07067	8.6
71.05000	19.2
71.50657	2.2
79.05505	28.3
81.03416	3.3
81.06596	2.4
81.07063	34.8
82.56506	2.1
83.04972	8.4
83.08590	3.3
85.06528	7.3
91.05486	39.7
93.07053	82.5
93.07637	4.5
95.04979	64.3
95.08614	90.7
97.06541	15.7
103.05399	4.6
105.07038	89.2
107.04987	4.1
107.08604	63.1
109.06528	21.7
109.10147	10.0
111.08053	3.1
115.05460	10.0
117.07031	35.4
119.08591	31.7
121.06512	19.5
121.10137	19.7
122.07307	3.5
123.08073	28.9
123.11669	3.1
125.05965	3.2
125.09667	1.8
128.06244	5.8
129.07002	6.0
130.07805	17.4
131.08566	14.1
133.06502	8.4
133.10136	19.6
135.07127	3.0
135.08064	28.7
135.11708	22.5
137.05975	4.1
137.09607	8.0
141.06885	2.5
142.07837	2.4
143.08594	13.7
145.06480	3.2
145.10136	100.0
146.07233	2.5
147.08057	15.5
147.11679	8.0
149.09627	7.7
151.07552	58.2
153.09088	2.4
155.08527	3.5
156.09358	3.6
157.10135	12.6
159.08037	3.6
159.11705	9.6
161.09650	8.1
161.13264	5.1
163.07582	3.7
163.11189	71.6
165.09122	21.9
169.10117	7.4
170.11023	2.3
171.11699	9.6
173.09653	6.0
173.13268	4.8
174.10451	2.1
175.11208	7.2
175.14842	2.8
177.09119	7.1
179.07085	4.8
179.10690	2.8
181.10098	3.3
181.12239	3.9
183.11708	4.5
185.13249	3.8
187.11200	5.6
187.14807	4.3
189.09067	3.6
189.12730	12.7
191.14444	2.3
195.11745	3.9
197.13277	6.2
199.11157	3.4
201.12814	2.5
201.16072	2.2
203.14375	10.9
207.10097	2.5
207.12047	2.6
207.13890	7.8
209.13306	4.4
209.15254	3.6
215.14296	3.9
221.15396	33.1
223.14963	2.7
225.12743	2.2
225.16324	4.2
227.14079	2.4
233.15422	4.6
240.23409	2.8
241.16194	2.0
243.13890	3.6
259.17072	2.8
263.16379	8.9
269.15405	4.7
274.19189	3.0
279.21094	2.2
286.19257	5.8
287.16553	3.2
287.19962	3.8
297.22147	1.9
301.54984	1.9
325.21619	12.9
325.24960	2.4
343.22702	97.3
343.25894	4.7
344.23294	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03949	9.2
55.01886	7.6
55.05513	22.2
57.03448	8.5
57.07069	13.0
59.05001	9.2
62.13146	3.4
65.03940	3.7
67.05506	31.3
69.03429	11.8
69.07065	11.2
71.04996	25.0
79.05497	29.9
81.07056	38.5
83.04988	6.3
83.08643	3.2
85.06542	4.7
91.05494	49.4
93.07051	85.4
95.04980	64.4
95.08620	100.0
97.06555	19.1
98.00548	3.5
98.20757	8.1
103.05457	4.6
104.29636	2.9
105.04580	3.7
105.07041	96.9
107.04981	4.9
107.08605	67.8
109.06557	18.7
109.10154	13.1
115.05463	10.6
117.07033	32.2
119.08591	39.8
121.06547	19.6
121.10177	24.6
123.08076	30.1
123.11735	3.0
128.06248	5.9
129.06990	6.8
130.07808	22.7
131.08565	13.8
133.06525	5.5
133.07530	3.0
133.10149	18.0
135.08064	34.8
135.11703	17.6
137.05995	6.3
137.09618	10.3
142.07779	3.9
143.08585	17.6
145.10132	96.5
147.08052	15.5
147.11670	7.0
149.09651	10.5
149.13560	3.2
151.07552	54.5
153.07123	3.5
153.09178	4.7
155.08603	5.4
156.09378	5.7
157.10149	15.2
159.08073	4.4
159.11711	10.5
161.09619	9.6
161.13243	4.6
163.07564	5.2
163.11200	81.1
165.09138	25.9
169.10129	5.6
171.11691	8.0
173.09662	5.3
173.13161	5.0
175.11131	9.0
177.09116	7.1
179.07010	4.0
181.10121	3.4
181.12343	4.9
181.34485	3.9
183.11795	4.6
185.13318	5.1
187.11253	6.1
189.09135	3.9
189.12773	12.2
189.16376	4.1
191.10681	3.7
191.14342	5.0
197.13287	3.4
199.11383	3.4
201.12576	4.3
203.14381	10.9
207.10081	4.8
207.13795	6.5
209.13431	4.5
209.15341	5.2
213.12979	4.1
215.14328	5.7
217.12244	2.9
221.15401	36.1
223.14832	4.1
240.23279	4.3
245.15427	5.2
251.42149	3.1
263.16415	9.1
286.19257	5.3
287.16394	3.7
325.21686	12.6
343.22717	96.7
343.26239	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	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01872	1.1
55.05526	1.3
57.03436	4.4
57.07080	1.5
61.02942	4.4
67.05508	2.0
69.03433	13.2
69.90010	4.4
71.05000	2.5
73.02918	2.2
79.05505	3.9
81.03419	7.0
81.07063	7.0
83.05003	5.0
85.02911	34.5
87.04491	2.4
90.22253	0.9
91.03940	1.9
91.05481	4.7
93.07049	10.2
95.04974	17.6
97.02898	11.1
97.06539	3.5
99.04467	2.8
103.05485	0.9
105.07039	8.5
107.05005	1.0
107.08597	9.8
107.22635	1.2
109.02899	3.2
109.06511	2.6
117.07021	2.8
119.08582	4.9
121.06519	4.8
121.10147	11.3
123.04476	1.2
123.08068	0.9
124.30561	1.0
125.05994	12.3
127.03908	7.8
130.07805	2.2
133.06461	1.5
133.10139	1.0
135.11705	7.1
137.06013	3.6
143.08572	1.6
145.04967	8.3
145.06575	0.9
145.10129	19.0
161.09579	1.6
163.11191	100.0
165.09079	1.6
167.07074	1.0
171.87341	0.8
175.11215	1.3
179.06914	1.0
181.12233	23.0
198.48380	1.0
205.12311	1.8
223.13408	2.4
241.47458	1.1
307.15277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1541
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
53.86429	1.9
55.75849	1.8
57.03403	2.5
69.90833	11.3
75.86407	1.9
77.56701	1.7
79.05492	5.8
91.05465	11.7
94.04188	3.5
95.04952	5.8
96.25993	2.0
98.20898	2.8
101.57422	2.1
102.04692	3.5
103.05439	10.9
105.07008	9.6
107.04960	21.6
109.06528	3.7
115.05464	9.4
117.03361	2.8
117.06993	2.4
119.04922	2.7
121.06493	3.8
122.03632	8.1
122.07313	5.9
123.04436	2.9
130.04129	6.6
131.04933	15.9
133.06500	5.0
135.08060	4.3
137.05980	100.0
141.06914	2.4
145.06529	4.3
146.03613	6.1
147.04399	7.3
147.08017	3.0
149.05952	8.6
151.03893	2.9
151.07568	9.5
160.05159	4.2
161.05988	38.3
162.06761	17.2
163.07552	32.1
163.11166	3.6
165.06987	4.5
165.09068	2.8
167.07051	4.3
169.06471	2.6
173.09634	3.4
175.07536	40.1
177.05534	2.6
177.09108	6.2
179.08607	4.3
181.08601	4.1
190.07791	3.5
193.06732	2.3
193.08592	2.4
194.07317	6.1
195.08035	3.7
201.09096	6.0
205.06467	5.7
205.10103	5.1
206.95174	2.2
207.08025	6.1
208.08752	3.1
209.09396	2.6
211.07567	3.2
218.07310	2.2
219.08157	4.4
219.10185	11.0
221.05882	2.8
221.09537	3.2
222.06715	7.2
222.10272	2.7
223.07442	3.3
224.08322	2.8
225.09212	2.2
233.06053	2.5
233.09634	12.6
235.07570	7.4
236.08218	3.9
237.09117	9.1
239.06985	2.8
239.10629	3.2
240.53751	2.0
241.08556	4.0
249.09131	4.6
250.06203	3.6
250.09891	6.0
252.07822	4.1
253.08592	4.2
254.09360	3.6
261.09137	8.8
264.07913	4.1
265.08621	17.7
265.12177	8.9
267.10208	8.3
269.08078	8.7
277.08826	2.9
278.09311	3.6
279.10159	3.9
281.08044	3.6
282.08871	9.0
283.16745	2.7
284.10321	10.8
293.11700	21.4
294.12436	4.9
295.09650	4.3
297.11276	53.2
297.14828	6.7
299.12790	28.0
310.11880	5.2
311.09171	4.2
311.12778	64.1
325.14322	28.5
343.11603	4.1
343.15399	41.4
344.63412	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1543
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
53.03942	1.9
55.01854	2.2
61.11346	1.7
65.03946	1.5
66.92958	1.3
67.05483	1.4
69.28481	7.9
69.28905	6.9
70.82003	1.8
72.02819	1.4
79.05492	5.6
81.03432	2.3
91.05493	11.1
93.07038	2.1
94.04189	5.9
95.04961	6.4
97.41931	1.8
102.04711	2.2
103.05487	16.1
105.07031	11.4
107.04953	19.6
109.06545	2.8
115.05456	6.5
117.07022	3.7
119.04937	3.9
121.06497	4.2
122.03648	8.3
122.07288	4.7
129.07021	2.2
130.04146	3.3
131.04924	14.0
132.05716	1.8
133.06488	8.5
135.08049	5.1
137.05991	100.0
141.07019	3.4
145.05045	1.5
145.06488	4.2
146.03609	7.1
147.04436	10.9
147.08087	3.0
149.06000	10.5
150.06732	1.6
151.03856	4.3
151.07536	9.2
158.07335	2.9
161.05989	42.6
162.06789	16.1
163.07558	31.9
163.11200	2.7
165.07042	2.4
166.75629	1.7
167.07065	4.1
169.06487	2.7
173.09625	4.4
174.06796	2.3
175.07573	37.6
177.05527	3.0
177.09122	6.6
178.07713	2.4
179.08568	4.2
181.06458	2.1
181.08565	7.2
181.12300	2.5
189.09091	1.5
190.07787	5.9
191.06895	1.7
191.08528	2.4
193.08594	2.4
194.07268	3.9
195.07954	2.6
201.09174	4.0
203.08723	2.3
205.06525	7.3
205.10159	7.2
207.08102	5.4
208.08743	2.3
209.09631	4.5
211.07523	2.4
215.08563	2.0
218.07274	2.5
219.08168	3.3
219.10066	12.2
221.06009	4.5
221.09691	3.8
222.06786	6.4
222.10332	1.7
223.07570	2.0
223.11107	1.7
224.08319	5.4
232.08958	2.5
233.05975	4.2
233.09598	12.6
234.06795	2.1
234.10425	2.2
235.07561	6.5
236.08244	2.2
237.05310	1.9
237.09082	9.5
239.07126	4.1
239.10658	3.1
241.08629	3.6
249.08989	1.7
250.06335	4.4
250.09955	3.0
251.07095	3.9
251.10497	1.8
252.07867	2.9
253.08667	2.0
254.09372	2.9
261.09106	6.8
263.07037	2.2
265.08621	21.5
265.12216	9.7
267.10223	8.4
269.08127	6.5
277.08572	2.2
278.09402	5.6
279.10205	3.2
281.08115	3.0
282.08954	11.9
283.09775	2.7
283.13300	2.6
284.10352	9.2
293.11722	17.7
294.12576	3.4
295.09592	3.4
296.10342	3.3
297.11288	54.1
297.14725	5.3
299.12814	29.9
310.11960	5.4
311.09198	3.5
311.12781	65.8
312.13202	2.0
325.10818	2.0
325.14392	32.4
325.18100	1.1
343.11649	3.8
343.15430	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1543
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
54.52826	1.6
55.01862	2.8
57.03429	1.7
61.52455	1.5
67.05477	2.4
69.03429	2.7
69.26223	11.2
79.05489	4.8
81.03465	1.5
81.07083	4.4
85.02894	9.0
87.68050	1.6
91.05479	7.5
93.07019	3.1
95.04984	2.9
97.02908	1.5
98.20798	3.0
103.05478	12.5
105.07044	16.2
107.04977	7.0
107.08646	3.0
107.32853	1.3
109.06537	2.2
115.05456	6.4
117.03366	1.7
117.07034	2.4
119.04930	2.2
121.06517	1.5
121.10126	2.4
122.03660	3.0
123.04408	2.7
125.06020	2.4
127.03913	2.6
128.94078	1.3
129.06975	2.0
131.04938	17.3
133.06503	9.9
135.04420	1.4
135.08044	1.5
135.11737	1.3
137.05984	31.7
141.07001	4.2
142.03224	2.5
143.06059	1.5
145.05023	2.5
145.06516	2.3
145.10120	2.8
146.03662	11.3
147.04424	4.1
147.08078	2.4
149.04971	1.5
149.05959	9.3
151.03917	3.0
151.07492	6.8
158.07213	2.5
160.05212	2.6
161.05998	100.0
162.02180	2.2
162.06715	3.5
163.03929	2.0
163.07559	33.8
163.11171	17.1
165.06987	4.8
166.07767	2.8
167.07019	3.2
169.06522	3.5
173.09653	4.2
175.07565	51.2
177.07005	2.4
177.09097	2.9
178.07741	3.2
179.08577	7.3
181.06476	6.1
181.08606	3.4
181.10092	1.6
181.12227	4.6
189.07071	2.4
189.09099	3.9
190.07822	6.8
191.03424	14.4
191.08546	2.0
193.06458	2.2
194.07220	11.4
195.08086	5.2
196.08762	2.1
201.09137	4.0
203.08504	3.6
205.06500	6.6
205.10181	10.2
206.07309	1.9
207.08022	12.0
208.08623	1.9
209.09721	4.0
211.07553	2.6
215.08621	3.5
218.07280	4.9
219.08023	4.6
219.10187	5.1
221.06105	8.1
221.09642	5.0
222.06770	10.1
222.10374	3.3
223.07549	5.4
224.08336	7.6
225.09081	2.0
232.08818	2.7
233.06062	2.8
233.09628	18.5
234.06725	5.5
234.10460	3.2
235.07549	14.5
236.08359	6.5
237.05467	6.8
237.09105	16.4
237.12791	3.3
238.09822	1.6
239.07031	3.5
239.10658	4.7
240.07771	1.5
241.08632	2.4
247.07628	3.2
248.08173	2.2
249.05499	4.2
249.09167	7.5
250.06255	13.3
250.10074	7.0
251.07022	4.9
251.10681	2.4
252.07896	8.3
253.08647	3.5
254.09471	3.6
261.09149	12.7
262.09940	2.3
263.07037	6.6
264.07877	8.3
264.11096	1.5
265.08633	41.7
265.12195	9.0
266.09286	4.0
267.06821	2.3
267.10165	13.7
269.08179	8.7
277.08609	4.6
278.09451	12.8
279.10120	4.6
281.08246	3.0
282.08856	6.2
283.09738	2.5
283.13275	3.3
284.10419	10.5
293.11697	32.0
294.12320	2.6
295.09738	4.7
296.10345	2.1
297.11230	40.9
297.14819	8.8
299.12732	17.6
310.12027	5.9
311.12799	67.5
312.13257	2.9
315.15933	2.8
325.10815	2.2
325.14395	23.2
326.33374	1.5
343.08295	3.3
343.12247	2.4
343.15424	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1543
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
55.01868	2.3
60.75224	1.7
67.05495	2.6
69.03423	5.9
71.49179	1.9
76.42029	1.6
79.05502	6.2
81.03430	2.2
81.07053	7.0
85.02925	11.4
89.34471	1.6
91.05489	10.4
93.07041	5.4
95.04963	10.7
97.02880	3.9
97.06509	2.1
99.08123	2.3
103.05469	15.2
104.86498	1.6
105.07049	18.2
107.04963	11.7
107.08592	3.4
107.54430	1.8
109.06523	3.5
115.05473	11.2
117.07048	3.8
118.04142	1.7
119.04951	3.7
119.08619	2.3
121.06509	5.6
121.10178	5.3
122.03662	3.3
123.04431	6.7
125.06020	4.8
127.03885	3.5
128.06244	4.2
129.07007	4.9
131.04976	17.8
131.08597	2.6
133.06497	10.0
135.04449	4.0
135.11743	1.8
137.05992	49.4
137.09601	1.7
141.07018	3.5
142.03246	2.9
143.04935	2.1
145.04965	3.1
145.06503	4.3
145.10153	3.6
146.03645	12.5
147.04443	9.4
147.08107	1.9
149.05992	10.9
151.03943	6.2
151.07571	8.2
157.06468	2.7
158.07288	2.4
161.06004	100.0
162.02206	4.8
162.06570	2.9
163.03935	5.2
163.07565	32.8
163.11209	24.4
165.07008	5.7
166.07820	4.7
167.07088	5.7
167.08516	2.3
169.06493	3.5
173.09637	3.9
174.06799	2.2
175.07568	57.1
177.05505	2.6
177.06950	2.0
177.09157	4.7
178.07834	2.9
178.70270	1.8
179.08603	5.7
181.06509	5.0
181.08604	8.8
181.12279	3.8
187.07552	2.2
189.07327	1.6
189.09128	10.7
190.07771	4.9
191.03412	32.3
191.06859	2.3
191.08545	2.9
194.07317	9.6
195.08044	4.5
196.08975	1.8
201.09167	3.5
203.08595	4.3
204.09293	2.0
205.06482	7.7
205.10233	9.1
207.08086	10.8
208.08897	1.7
209.05983	2.3
209.09648	3.8
211.07549	2.9
215.08714	3.2
218.07346	5.4
219.08105	3.7
219.10185	4.6
221.06065	11.2
221.09673	3.6
222.06802	11.0
222.10355	2.8
223.07602	5.1
223.11201	2.0
224.08351	8.0
231.08098	2.0
232.08820	2.5
233.09641	16.9
234.06726	4.7
234.10468	3.4
235.07536	12.6
236.08351	5.6
237.05492	5.3
237.09108	15.5
237.12769	2.4
239.10701	5.9
241.08572	3.3
247.07646	3.5
249.05562	3.2
249.09109	5.0
250.06453	9.0
250.09795	8.0
251.07088	3.9
251.10692	2.8
252.07841	6.4
253.08592	4.6
254.09280	3.8
261.09161	10.4
262.09854	3.7
263.07068	5.9
264.07867	7.2
265.08649	47.9
265.12195	11.8
266.09473	2.4
267.06714	1.8
267.10153	12.1
269.08112	10.4
269.11432	2.1
277.08655	4.0
278.09372	10.6
279.10211	4.3
281.08353	2.4
282.08957	11.0
283.09760	3.0
283.13269	3.5
284.10535	11.1
293.11765	33.2
294.12549	2.1
295.09705	4.6
296.10556	2.6
297.11328	45.7
297.14886	9.1
299.12775	24.1
310.12021	4.6
311.12793	73.2
312.13522	2.4
315.16129	2.2
325.14355	27.4
343.08246	5.7
343.12155	3.7
343.15445	61.4
344.15759	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	343.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01875	3.3
57.03436	1.5
69.61803	1.2
69.72353	8.2
73.02921	1.4
79.05484	8.6
79.30513	1.3
81.03396	2.8
85.02901	2.8
94.04198	2.3
95.04971	1.6
97.02844	1.7
103.05489	5.5
105.07034	66.1
105.65788	1.4
109.06507	2.2
115.05476	2.3
122.03690	7.0
131.04979	1.6
133.06494	100.0
137.05983	85.5
147.04414	3.7
151.03893	2.9
163.04027	1.7
165.09116	43.0
203.19601	1.4
321.51746	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69502	0.6
56.96546	1.7
67.24635	0.6
69.07066	0.7
71.35815	0.6
71.48093	1.2
86.54198	0.8
86.66755	0.7
98.96943	1.2
98.97581	18.1
116.98628	7.4
119.01878	1.2
123.75198	0.8
134.99667	1.5
158.99861	1.1
174.97643	2.2
176.97404	1.6
177.00993	5.3
182.99918	0.8
192.98814	1.4
194.98434	0.7
198.97865	1.3
201.00912	0.8
216.95415	2.7
216.98813	9.7
217.98839	1.8
218.98540	4.6
219.02007	9.8
220.02071	1.1
222.97844	1.2
227.20152	0.7
234.96411	2.5
234.99907	15.0
236.99408	5.7
240.98895	10.4
243.02069	1.5
252.97450	1.7
253.00945	0.9
258.96613	3.3
258.99976	32.5
260.00128	2.5
261.00076	1.1
261.03058	8.7
262.03311	1.1
264.98929	3.4
273.98657	1.3
276.97568	7.4
277.01041	16.7
278.01184	1.1
279.00839	1.4
282.99994	100.0
284.00134	6.2
284.99896	1.0
294.68954	0.8
300.97632	15.2
301.00995	87.1
301.98041	1.0
302.01163	5.1
303.01068	0.8
318.98636	15.1
319.02200	3.1
324.02634	1.9
325.00995	16.2
342.98682	4.0
343.02121	57.3
344.02243	2.6
360.99557	6.4
361.03253	9.5
366.03543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07996	1.2
54.40301	1.6
57.03433	4.5
57.90842	1.2
61.02925	1.9
62.78794	1.1
65.53310	1.4
66.07805	1.3
67.61829	1.3
69.03425	5.0
69.46604	5.1
69.47034	4.5
71.08645	2.2
71.62232	1.3
81.03415	1.7
81.07058	3.1
85.02909	13.5
97.02894	3.5
98.97615	1.4
99.08096	13.1
109.06548	2.5
117.09142	100.0
127.03968	2.8
127.07552	5.5
162.05464	1.4
163.03886	8.8
163.09679	11.8
180.03714	2.4
180.06543	3.2
183.56189	1.3
203.60014	1.3
206.70674	1.4
344.61926	1.3
358.66055	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05514	2.2
67.05508	3.6
69.07069	11.2
69.26232	3.0
69.26658	3.2
72.93797	1.2
76.34048	0.5
79.05489	2.8
80.18111	0.7
81.07053	9.5
83.04940	1.1
83.08609	1.5
86.09709	100.0
91.05458	3.4
93.07025	3.3
93.85892	0.6
95.08611	4.3
96.08159	0.9
97.06475	1.5
98.21531	1.4
98.55132	0.6
101.44982	0.6
105.07034	5.1
107.08602	2.3
108.08936	0.6
109.06561	0.9
109.10202	1.1
113.96410	2.5
119.08571	5.0
121.10139	3.0
123.11713	2.9
129.07156	0.6
131.08585	1.2
132.10204	9.0
133.10149	1.9
137.05994	0.8
145.10156	1.5
147.11696	7.6
149.13226	0.7
157.10173	1.3
163.11244	0.7
164.14409	0.7
165.12772	3.4
175.11194	1.3
193.12225	1.0
210.14937	1.8
250.21732	2.1
278.21158	36.0
296.22192	20.2
299.40543	0.7
310.11703	0.7
324.21768	2.3
342.25397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
55.05528	9.0
57.03435	2.0
57.07071	3.8
60.76412	1.8
67.05501	17.9
69.03416	6.1
69.07071	6.7
71.04983	2.5
71.08647	10.9
71.49757	2.7
73.12383	2.0
79.05497	13.6
81.07060	16.3
83.04949	4.0
83.08585	2.4
85.06528	3.3
91.05477	12.7
93.07053	29.4
95.04974	8.0
95.08607	17.5
96.05795	2.9
97.02901	17.8
97.06542	4.1
97.10153	2.9
99.08089	8.2
103.28713	2.1
105.07029	8.1
107.08601	11.3
109.06530	9.8
109.10146	6.4
111.04456	18.4
111.08115	2.0
113.05997	4.2
113.96392	2.1
119.08580	13.6
119.56980	2.0
121.06547	11.6
121.10147	17.8
123.04459	4.4
123.08055	5.8
123.11658	4.0
125.06049	2.4
129.07014	3.8
131.08582	16.1
133.10129	4.3
133.15039	2.3
135.08047	2.6
137.06001	5.3
137.09630	3.4
139.11218	2.5
143.08556	2.5
145.10139	2.7
147.11682	3.9
149.09598	12.1
159.11746	3.1
161.09621	1.9
161.13269	4.7
165.12708	9.1
167.10703	3.7
171.11731	2.4
179.14334	2.8
181.12253	100.0
183.11873	1.9
191.14395	3.6
193.12209	2.6
201.16362	2.1
207.13855	3.6
210.82045	2.0
305.21228	9.1
305.24332	1.8
307.22687	3.2
323.22464	2.4
341.24860	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	341.1385
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
52.21558	1.5
55.29353	1.5
56.72025	1.6
69.58549	7.2
79.05497	3.8
79.15460	1.4
81.07060	3.8
91.05475	7.1
94.04182	2.8
95.08621	1.8
98.80509	1.4
100.11277	3.2
103.05493	4.7
105.07033	21.3
107.04944	2.7
111.04379	1.5
115.05449	8.0
117.07017	2.4
118.04204	2.3
119.04963	2.7
119.08578	6.3
121.06469	1.7
122.03611	10.1
128.06223	2.5
129.07010	5.5
131.04964	4.2
132.05734	3.5
133.06502	13.5
137.05977	100.0
144.05768	2.7
145.06505	3.4
147.04439	5.2
147.08090	5.7
151.07567	2.0
156.05659	2.2
159.08006	9.8
160.05234	3.9
161.05989	32.8
161.09666	1.5
163.07579	3.3
167.07114	2.5
172.05257	8.5
175.07558	38.9
177.05553	1.8
177.09096	2.7
179.07132	3.2
179.14571	1.5
182.15527	1.7
187.07547	34.2
189.09106	3.9
190.07803	3.9
191.08586	4.3
199.07533	2.1
202.07669	2.3
203.08665	3.1
211.07594	1.8
217.08694	5.7
218.07401	2.0
219.08026	10.7
220.08838	2.9
231.08018	4.6
232.08980	1.7
235.11327	1.6
236.08342	2.7
247.07544	5.9
248.08379	5.7
251.10722	7.8
259.07648	3.2
263.10632	5.2
265.08737	3.3
271.09766	1.6
279.10141	11.3
281.11548	2.1
283.09595	2.1
291.10126	11.0
309.11194	6.1
311.12717	9.9
323.12857	8.5
341.13766	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	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.41427	1.5
58.63866	1.3
69.16348	7.5
69.16768	8.3
70.42712	1.4
71.04961	1.7
79.05486	2.1
90.91312	1.3
91.05482	4.3
94.04182	3.5
98.20815	3.2
103.05472	1.8
105.07054	3.2
107.04942	1.9
109.06546	1.8
115.02699	1.4
115.05482	2.4
117.06972	2.0
119.04932	2.7
119.08588	1.9
122.03690	7.7
123.61256	1.7
129.07013	4.7
131.04858	2.7
133.02876	3.2
133.06509	2.7
137.05992	100.0
143.04935	2.1
144.05664	1.8
145.06560	3.8
145.12901	1.7
147.04446	2.4
147.07997	2.0
149.05942	2.1
151.03926	2.1
151.07542	6.3
157.06464	4.2
160.05226	4.1
161.05986	6.6
165.05486	3.8
171.08194	1.6
172.05200	3.4
174.06822	3.5
175.07574	31.5
177.05486	3.5
178.07784	2.6
187.07582	21.8
189.09123	8.4
190.07747	2.2
191.08623	7.7
196.05231	3.6
199.07524	6.1
202.07719	4.2
203.08560	9.6
205.06584	2.4
205.08591	1.7
208.08929	1.5
211.07632	8.1
216.50026	1.7
217.08664	6.2
218.07283	2.4
219.08104	8.5
220.08835	5.0
221.09523	1.7
227.06982	6.2
228.07742	1.8
231.08119	9.8
232.08820	3.8
233.06015	2.1
236.08435	1.8
239.07050	9.2
240.07889	7.6
247.07533	6.6
248.08334	14.5
249.09116	2.8
251.10741	8.2
255.06544	3.9
256.07300	5.0
259.07605	6.9
260.08282	2.4
263.10672	12.0
264.07642	2.4
265.08649	2.5
268.07175	2.0
270.08896	9.9
271.09720	20.8
276.07864	6.2
277.08566	4.4
279.10239	11.3
280.11093	1.7
281.08170	1.7
283.09680	6.0
291.10175	36.8
292.10742	3.8
293.08206	2.9
296.10464	4.6
297.11200	2.0
308.10422	4.4
309.11246	2.2
311.12869	11.5
313.14587	1.9
323.12802	21.8
341.13889	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	341.1388
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.04852	1.8
53.03938	2.9
55.05506	3.4
65.03958	2.2
66.20805	1.6
67.05506	4.1
69.03423	4.1
69.07043	1.6
69.32195	5.9
69.32630	9.2
71.04984	5.4
78.22124	1.7
79.00628	1.7
79.05492	7.6
81.03413	4.2
81.07057	7.4
83.04984	1.8
91.05481	7.1
93.07033	4.8
94.04182	3.2
95.08599	6.2
97.02885	2.7
98.20805	3.3
105.07043	5.8
105.09070	1.7
107.04971	3.5
107.08588	2.8
109.06519	3.7
109.10178	2.3
117.07036	3.9
119.04955	1.8
119.08580	3.2
121.06510	2.6
121.10129	2.8
122.03636	8.5
128.06264	2.8
129.06993	9.0
131.04935	4.6
131.08617	2.3
133.02859	7.5
133.10132	3.8
137.05989	100.0
142.20921	1.7
144.05717	3.8
145.10147	2.1
147.04413	2.3
149.06017	4.7
149.13202	1.8
151.03912	4.1
151.07555	8.2
153.05444	2.2
157.06461	5.1
157.10138	2.6
158.07205	1.7
159.08061	2.8
159.11656	1.9
160.05280	2.1
161.05983	4.5
161.09666	2.4
161.13292	3.0
163.03888	3.9
163.07564	4.0
165.05487	4.2
167.07076	6.2
171.11690	1.9
172.05196	5.0
174.06783	5.5
175.07570	21.4
177.05513	6.2
177.09041	1.9
179.07016	4.4
187.07547	26.4
188.03551	2.3
189.09070	11.2
191.08620	3.2
193.06598	1.7
196.05223	4.4
199.07603	3.0
202.07800	3.0
203.08542	10.2
211.07498	16.0
213.05392	3.3
217.06841	1.7
217.08638	10.7
217.88916	2.0
219.08061	9.0
220.08891	4.7
221.09590	4.1
225.05479	2.7
227.07124	11.6
231.08076	13.5
232.08871	2.2
233.06013	2.7
234.06679	2.9
235.07574	3.2
237.09039	2.3
239.07082	8.9
240.07779	8.7
247.07576	5.0
248.08321	18.4
249.09055	6.2
251.07098	1.9
251.10565	2.1
253.12189	2.2
255.06456	7.9
256.07227	8.8
259.07596	6.8
260.08405	3.9
262.37445	1.7
263.10727	13.0
264.07800	2.6
265.08548	4.5
268.07352	2.7
269.08188	2.5
270.08954	13.5
271.09683	30.7
276.07892	8.2
277.08627	5.5
279.10181	8.0
280.10919	2.5
281.11755	3.6
283.09665	6.5
291.07132	3.6
291.10175	43.1
292.10992	2.8
293.08127	4.1
293.11694	1.7
294.08905	1.8
296.10413	5.1
297.11310	3.5
305.17636	1.9
308.10385	6.2
309.11218	8.7
310.12271	2.3
311.12808	10.3
313.14270	3.4
323.12848	30.4
323.18524	2.0
326.11603	2.2
341.10168	2.7
341.13879	35.5
341.24979	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	341.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01885	0.3
55.05513	33.6
55.08284	0.2
56.05047	0.4
56.05848	4.9
57.07073	2.0
58.06599	0.3
58.07415	0.3
65.03955	0.3
67.05504	1.5
67.31643	0.2
68.05839	0.2
69.03419	0.3
69.07061	1.1
70.06599	1.7
71.04999	0.3
71.06941	0.3
71.49282	0.3
75.28517	0.2
79.05483	0.9
81.07056	1.2
81.13254	0.2
82.06583	9.1
83.04986	5.2
83.06922	1.5
83.08620	19.9
84.04527	0.2
84.05319	1.0
84.08170	1.4
84.08952	3.8
85.06547	1.0
85.08503	0.2
86.06091	0.2
91.05470	1.2
91.58122	1.8
92.08313	0.8
93.07034	0.5
93.95560	0.2
94.04182	0.3
94.06590	0.4
95.04948	0.3
95.08607	0.4
96.08150	0.4
97.06539	0.5
98.09701	2.3
99.10039	0.4
100.07629	7.7
100.09494	2.6
100.11259	100.0
100.59642	1.4
101.07977	1.2
101.10985	1.1
101.11581	19.7
102.11916	0.4
103.05476	0.8
105.07034	0.9
107.04974	0.8
107.08607	0.4
109.06535	0.5
109.10175	0.2
110.06038	6.2
111.04444	11.4
111.06358	1.5
112.04790	2.0
112.07597	3.4
112.08344	0.2
112.11309	0.2
113.07951	0.6
114.09173	1.2
114.59351	0.4
115.05455	0.3
117.13893	3.9
118.14246	0.8
119.08590	0.4
121.10170	0.4
122.03655	0.7
123.04393	0.2
126.09164	2.7
127.08681	0.9
127.09491	0.4
128.06262	0.4
128.07085	6.8
129.05470	0.3
129.07442	1.1
131.04962	0.8
133.02884	1.1
133.06485	0.5
133.10132	0.4
133.11761	0.3
134.10750	0.4
134.60858	0.3
135.04468	0.4
137.05983	7.8
138.12843	0.3
139.08676	2.1
140.07066	2.8
140.08942	0.5
140.10716	0.5
140.72249	0.2
141.07436	0.4
141.11488	5.9
141.61668	4.6
142.11816	0.6
143.11818	0.6
144.05746	0.3
145.06570	0.2
147.04359	0.4
147.08035	0.2
147.11700	0.6
149.06003	0.6
149.13229	0.3
151.03871	0.3
151.07542	0.5
154.12239	1.5
155.11250	1.1
155.12614	0.6
155.61406	0.8
157.06544	0.4
159.04388	0.2
159.08083	0.5
160.05136	0.3
161.05991	0.8
161.09616	0.4
163.03928	0.7
163.07541	0.4
163.64375	2.8
164.14507	3.7
165.14813	0.2
166.15932	0.9
167.07071	0.9
167.16208	0.4
168.13899	0.3
172.05234	0.3
172.15688	0.7
172.65872	0.9
174.06761	0.6
175.07555	1.4
175.11134	0.3
177.05385	0.5
177.09230	0.3
178.07770	0.4
182.15411	26.1
183.15762	12.1
183.17458	0.3
184.16005	0.6
187.03923	0.3
187.07559	3.1
189.09157	1.0
190.07793	0.4
191.07010	0.4
191.08632	0.5
192.13857	0.7
193.14143	0.5
199.07555	0.3
199.18051	4.9
200.18492	1.9
203.08496	1.0
205.06525	0.3
205.16682	0.5
205.68253	0.3
206.07236	0.4
206.67229	0.2
208.08913	0.3
209.16502	11.9
210.14935	26.1
210.16853	5.7
211.07561	0.8
211.15239	13.4
212.15523	0.8
213.17805	4.0
213.67972	7.4
214.18118	0.9
217.08519	1.2
218.07288	0.3
218.17017	0.3
218.67319	1.1
219.08032	1.1
219.16440	0.3
219.99356	0.2
220.08907	0.6
221.06166	0.2
221.09631	0.4
223.07712	0.3
225.16011	0.6
226.16614	0.3
226.19160	3.1
227.07022	0.5
227.17522	12.7
227.19456	1.2
227.67702	17.1
228.15927	0.9
228.17888	4.9
229.16324	0.6
231.08083	1.4
232.08806	0.3
234.06668	0.4
235.07596	0.4
236.08389	0.4
237.09044	0.3
239.07053	0.6
240.07861	0.6
244.20285	0.8
245.20552	0.5
247.07600	0.6
248.08298	1.3
249.09094	0.9
251.07100	0.5
251.10762	0.7
253.08549	0.3
254.09326	0.2
255.06456	0.5
259.07559	0.5
263.10550	1.1
265.08606	0.9
266.09238	0.3
267.09967	0.2
267.72281	0.5
268.22693	1.7
268.71979	0.3
270.08926	0.5
271.09619	1.3
276.07840	0.6
276.72791	5.6
277.08618	0.8
277.22943	25.1
277.73105	4.3
278.23285	0.5
279.07159	0.2
279.10159	1.1
281.11673	0.8
282.20316	0.5
283.09570	0.5
285.74268	0.4
291.10114	2.5
292.10770	0.3
293.08066	0.4
296.10406	0.4
297.11163	0.3
308.10400	0.7
308.23331	0.9
308.26794	0.3
309.11240	2.1
310.21988	0.4
311.09631	0.2
311.12650	1.1
313.14224	0.4
322.75107	0.5
323.12857	2.5
325.29675	0.4
326.27884	3.5
326.76456	0.6
327.28375	3.2
328.28586	0.2
331.75583	3.8
332.25607	1.1
336.22858	0.7
337.22974	0.8
338.21378	0.4
340.76120	4.2
341.10120	0.5
341.13867	4.0
341.26199	1.3
343.30685	14.4
344.30994	16.7
345.31326	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.27507	1.2
65.03945	1.4
69.03432	2.6
70.77842	1.6
70.78173	3.1
71.28871	1.6
71.35876	1.2
79.05474	1.3
81.07084	1.8
82.21368	1.4
85.15980	1.2
91.05494	3.3
94.04189	2.3
95.05007	1.9
103.05458	3.9
105.07056	2.1
107.04987	2.0
109.06534	2.0
115.05444	2.4
119.04974	2.3
122.03686	8.8
128.06229	3.3
129.07016	10.8
131.04965	2.8
131.08540	1.6
133.02831	1.9
134.03687	1.4
134.68956	1.4
137.05995	100.0
139.67679	1.4
143.08615	1.4
144.05754	5.2
145.06554	2.3
147.04384	1.8
149.06001	2.5
151.07568	6.8
157.06494	7.1
160.05190	2.9
161.05972	4.7
163.07637	3.3
165.05496	2.8
167.07138	1.8
172.05243	7.3
173.06039	1.7
174.06772	11.8
175.07579	14.2
177.05534	3.1
179.07027	3.3
187.07568	43.2
187.09200	2.5
188.08226	1.6
189.09137	18.5
190.07806	2.6
191.08607	7.2
199.07578	6.0
202.07835	6.0
203.08568	12.5
205.06557	3.2
208.08966	2.5
211.07616	4.7
217.08618	24.9
218.07346	2.4
219.08098	12.0
220.08881	6.5
221.06093	1.8
221.09642	1.6
227.07126	4.8
231.08076	15.5
232.08888	2.2
233.06137	2.3
235.07596	3.7
236.08357	4.1
237.09053	3.2
239.06836	1.9
240.07753	2.1
247.07553	10.4
248.08322	14.5
249.05734	2.0
249.09154	5.4
251.10725	8.6
253.08665	2.9
255.06535	2.3
259.07709	4.2
260.08289	2.5
261.09183	3.6
262.09738	2.1
263.07104	2.1
263.10730	14.3
264.07935	4.0
265.08670	7.8
266.09708	1.9
270.08923	3.8
271.09671	9.9
276.07764	9.5
277.08673	4.3
279.10248	13.2
280.10916	3.2
281.08176	4.4
283.09872	1.8
291.10208	36.7
292.10812	3.9
293.08115	5.5
296.10449	12.4
297.11328	4.4
308.10477	5.9
309.11185	4.2
311.12787	21.2
323.12839	32.3
341.13889	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01859	1.9
56.96574	1.9
61.02924	1.3
69.03431	4.6
70.06578	0.9
73.04743	1.6
79.05483	1.7
81.03400	1.1
81.04591	0.9
85.02897	4.1
88.11266	3.0
89.03923	1.5
89.11581	1.4
91.05847	1.7
97.02922	2.4
98.97591	3.6
104.04980	1.4
105.05782	2.3
106.06575	2.9
107.04957	1.1
110.12067	0.9
110.97581	1.5
116.98618	1.2
117.03379	1.3
118.06541	3.4
121.02855	1.8
121.06554	0.9
123.04440	1.8
126.05526	0.9
129.80453	0.9
131.06062	4.0
132.06827	1.0
133.02823	1.1
133.07607	5.4
135.04414	1.7
135.72227	1.0
136.06172	1.7
137.05966	5.0
143.00160	0.9
145.02859	1.5
145.06450	1.5
145.07611	31.0
146.08397	78.8
147.04382	1.1
151.03990	1.0
151.07608	1.1
153.01837	1.7
157.38095	0.9
158.99660	1.4
161.07114	66.7
162.07889	15.8
163.03912	7.1
163.08685	9.0
164.04276	1.0
167.00194	1.0
167.07053	1.1
179.03392	12.1
179.08174	17.8
180.06346	4.1
187.07616	1.3
191.08130	5.5
271.09433	0.9
286.09048	1.1
310.91168	1.0
323.12704	1.0
341.13452	100.0
342.11609	1.6
343.00128	0.8
359.02930	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	AESCULIN
Peak:m/z	Relative Intensity
50.02213	0.4
53.03927	0.8
55.01884	0.4
56.96560	0.5
57.03434	0.3
58.81881	0.3
61.02924	0.8
61.81565	0.3
69.03426	1.8
70.41080	0.3
73.04742	0.6
77.52960	0.3
79.05492	0.5
81.03409	0.9
81.07039	0.4
84.96009	0.3
85.02534	0.3
85.02916	3.2
89.03893	0.5
91.05819	0.9
95.04955	0.4
97.02884	1.9
98.97599	0.4
99.04413	0.3
102.70522	0.4
105.03396	0.4
107.04950	0.4
109.02880	0.6
117.03361	0.7
122.03609	0.4
123.04433	8.9
127.03910	0.7
133.01866	0.4
133.02863	8.5
135.04387	2.3
135.08040	0.4
136.06192	0.8
137.05931	3.7
145.02875	0.5
145.04987	0.4
145.06573	0.4
147.04391	0.8
151.03889	3.2
159.25870	0.3
161.02312	0.7
163.03893	4.7
167.07010	0.4
175.07587	0.3
179.03398	100.0
180.03815	0.7
187.07535	2.1
191.08615	0.3
215.97995	0.4
217.08528	1.5
231.07961	0.5
247.07469	0.4
248.08253	0.5
277.08395	0.4
279.10187	0.7
282.82428	0.4
291.10278	1.1
309.10953	0.4
314.21658	0.3
323.12762	0.9
339.03882	0.7
341.08920	1.2
341.13788	1.2
357.04718	0.5
359.02588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59861	2.2
56.96563	15.8
57.03421	5.3
57.12912	2.4
57.38064	2.4
58.34853	2.5
59.55198	2.5
61.02913	5.6
67.05484	2.8
69.03436	17.8
69.07061	4.6
71.08632	25.0
71.48454	3.5
73.02898	5.7
73.04710	2.8
81.03390	6.8
84.96053	3.0
85.02910	31.3
86.09696	3.4
87.04489	4.0
88.11275	100.0
89.03930	3.7
97.02914	16.9
98.97588	34.1
109.02853	5.2
110.97548	8.3
116.98604	10.5
119.04901	4.3
120.08112	5.5
127.03919	10.8
128.98622	3.0
131.04916	4.9
133.02861	4.4
135.04399	11.6
136.06137	10.2
136.07552	6.1
137.02315	6.5
137.05995	15.3
138.09200	2.5
143.00127	3.3
143.07043	2.9
145.05003	5.1
145.07637	4.4
146.08371	10.7
146.99686	3.2
147.04413	10.6
148.04715	3.2
153.01816	6.9
158.99649	13.4
161.04622	9.1
161.07146	16.3
162.05443	2.6
162.07870	3.3
163.03906	17.5
164.04285	2.9
166.06319	2.9
167.07047	3.8
177.00677	8.6
178.04982	9.5
179.03429	3.9
179.06931	3.9
179.08255	4.6
184.03947	4.2
193.04533	2.7
201.00671	5.2
215.00873	2.6
219.01749	12.1
233.06648	5.1
237.02800	10.3
243.05405	4.0
265.06433	3.5
305.08951	5.6
314.71616	2.7
316.09802	8.4
323.10403	2.8
340.10098	4.8
340.13861	3.7
341.13571	14.3
345.50867	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	340.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59837	1.1
53.94299	1.2
57.03433	2.4
60.31805	1.1
61.02934	1.6
69.03440	6.3
70.06580	1.2
71.48720	1.6
78.15472	1.2
79.05497	1.6
81.03410	5.0
85.02438	2.1
85.02908	22.0
88.25298	1.0
91.05482	1.7
97.02914	8.9
103.03942	1.9
107.04924	1.1
109.02882	3.1
111.82226	1.1
115.05443	5.2
117.05765	2.1
117.06980	1.7
118.06545	13.5
119.04906	2.0
120.05275	3.2
120.08082	2.8
127.03928	4.0
129.07022	3.1
130.06509	9.3
131.07318	4.1
132.04480	19.2
132.08099	35.1
136.06149	3.0
137.05981	4.9
139.56442	1.2
142.06526	9.2
143.07356	1.7
144.08110	16.5
145.02940	1.3
145.05103	2.4
146.06006	10.2
146.09648	6.5
147.04416	12.2
148.04768	13.2
156.08119	5.8
159.06787	2.4
160.07591	100.0
161.09880	1.3
162.05484	1.3
166.08675	1.8
167.07150	1.6
168.08124	1.6
170.09721	1.3
172.07556	4.4
173.08368	2.0
174.05504	4.9
174.09174	9.0
176.07045	2.6
178.06049	2.3
178.08658	58.0
179.03374	2.8
184.07593	5.7
190.08635	6.0
195.63672	1.3
198.09146	3.9
202.08641	38.6
203.08824	1.3
210.09175	2.7
219.10121	1.8
220.09692	17.7
226.08723	2.9
244.09799	2.1
256.09665	8.2
263.10962	1.4
268.09744	3.3
291.10159	1.4
304.11893	6.9
311.12860	1.3
322.12885	14.4
323.13113	1.2
341.14050	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2895
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03936	1.9
55.01863	1.3
55.05513	37.4
57.03169	1.1
57.03439	20.7
57.07080	20.8
67.05506	28.6
69.07069	55.3
71.04984	2.2
71.08640	10.0
73.06567	1.2
76.29931	1.1
79.05499	14.3
81.06602	1.8
81.07060	31.6
83.04982	1.7
83.08624	34.8
85.06496	1.6
85.10190	5.2
91.05479	3.0
93.07047	16.3
95.08612	30.7
96.08913	1.6
97.06532	6.5
97.10179	22.3
98.21532	2.7
105.07060	1.6
107.08609	9.3
109.10162	14.9
111.08072	3.7
111.11725	5.1
112.15707	1.0
113.09654	1.1
117.06899	1.1
121.10146	14.7
123.11710	4.3
125.08589	1.0
125.09613	2.3
125.13290	1.5
135.11679	11.6
137.13249	2.0
139.11194	3.1
149.13234	5.6
151.14810	1.9
153.12773	1.7
163.14854	2.9
165.16422	1.2
177.16493	2.0
217.58832	1.1
247.24226	3.2
265.25287	2.5
283.16956	3.8
322.32043	1.5
339.28970	100.0
340.29153	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61328	0.5
53.03934	2.2
55.01865	0.6
55.05514	19.8
57.03433	1.4
57.07070	0.9
57.87331	0.6
67.05495	2.7
69.03435	6.9
69.07076	7.3
69.84923	3.1
71.04975	1.0
73.02941	0.7
76.16478	0.7
78.04713	0.6
79.05486	1.7
81.02998	0.9
81.03426	13.4
81.07063	8.6
83.04971	1.2
83.08627	1.3
85.02901	3.7
85.06528	1.1
89.03922	8.4
91.05486	1.7
91.66811	0.5
93.07056	2.9
93.07561	0.7
95.05003	0.7
95.08612	13.3
97.06528	1.4
97.10176	44.1
98.20847	1.0
99.04453	1.7
99.08081	0.9
101.06068	0.6
105.07021	2.1
106.04181	0.7
107.08594	2.5
109.02896	5.9
109.06525	0.7
109.10154	3.0
111.04456	0.8
111.11707	0.6
117.03388	24.2
117.06964	0.8
119.08585	2.1
121.10147	1.6
123.11686	1.8
125.06047	0.7
125.09629	6.7
127.03947	1.6
131.08607	0.9
133.06509	0.8
133.10110	1.4
134.03654	1.7
135.04413	1.4
135.11752	1.6
137.05959	2.3
137.13225	0.7
139.11163	1.5
143.06996	0.5
143.10681	16.5
145.02855	55.8
145.10156	0.9
146.03217	1.1
147.04393	0.7
147.11679	1.8
149.05992	9.5
149.13258	1.7
151.14830	2.0
159.11690	1.2
161.13292	1.8
163.14842	0.9
165.12810	1.0
171.10156	2.7
177.05478	100.0
178.05835	1.7
179.08427	0.6
179.14305	1.3
186.05551	0.9
187.14896	0.9
189.11198	2.3
195.06554	3.1
218.07304	1.0
219.08104	1.1
234.06624	0.9
235.07431	0.8
247.07637	1.3
249.05289	0.6
249.09088	0.7
263.07050	0.7
264.07687	1.3
278.06055	0.6
279.10309	1.1
292.07281	0.8
295.09790	0.9
303.23199	2.3
307.09656	3.1
321.09637	12.0
321.24271	9.3
339.12335	6.8
339.16190	0.8
339.18140	0.7
339.25381	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1231
Annotation	Terphenyllin
Peak:m/z	Relative Intensity
53.03944	3.2
55.05273	1.3
55.05516	15.2
62.35951	1.1
65.03925	1.9
67.05496	3.8
69.03457	5.5
69.07067	6.0
69.70729	1.6
69.71143	4.5
71.04987	1.8
79.05512	2.9
81.03422	15.3
81.07066	7.4
83.08617	1.6
85.02916	6.8
89.03926	8.2
91.05503	4.2
92.21898	1.1
93.07040	3.3
95.08625	8.9
97.02908	2.0
97.10186	29.4
99.04446	2.0
105.07023	2.6
106.04125	1.2
107.04963	4.2
107.08613	3.0
109.02923	5.3
109.10177	4.2
111.04423	1.7
115.05401	1.7
117.03397	23.8
119.05000	1.2
119.08591	1.9
121.10160	3.9
123.11749	2.1
125.06007	3.4
125.09624	2.9
127.03920	1.7
131.04907	1.7
133.10143	2.2
134.87201	0.9
135.04416	1.7
135.11717	1.8
137.05992	6.3
139.11250	1.7
143.10684	11.3
145.02859	53.9
145.06491	1.3
146.03694	1.3
147.04472	1.3
149.05989	10.5
149.13249	1.3
153.05511	3.4
159.08128	5.5
159.11725	1.7
161.05959	1.2
161.13249	1.4
163.04002	1.5
165.05602	1.3
165.07022	3.4
165.12805	1.2
169.06453	1.2
171.04474	2.3
171.10158	1.5
175.07506	1.2
177.05490	100.0
178.07855	3.4
179.08563	2.5
179.14264	1.1
181.06479	1.3
185.06003	2.9
186.06808	2.6
189.07042	4.8
189.11176	2.1
190.07834	5.5
191.08588	7.2
193.06519	2.7
195.06506	1.6
195.08115	1.2
201.07045	1.3
202.07845	2.1
203.08626	4.5
205.06467	6.3
206.07260	3.2
207.08060	9.2
208.08911	5.0
214.06290	6.1
215.07016	1.5
217.06572	2.2
218.07314	10.6
219.08058	20.3
220.08829	7.8
221.06033	7.6
221.09601	2.8
222.06839	1.2
223.07593	2.2
223.11171	1.8
225.09195	1.6
229.08710	12.8
231.08095	1.9
233.06004	2.9
233.09831	2.0
234.06821	4.4
235.07541	15.8
236.08354	13.2
237.09145	3.6
239.07132	1.8
246.06927	5.1
247.07570	11.3
248.08386	3.7
249.05551	4.3
249.09120	5.4
250.06308	2.9
250.09866	2.8
251.10704	22.1
253.08673	3.4
260.08414	1.4
261.09195	4.3
262.06296	1.9
263.07068	11.9
264.07834	27.1
265.08636	9.1
266.05557	1.4
274.06238	1.2
275.07104	5.1
277.05533	1.4
277.08548	6.7
278.09390	7.1
279.10254	20.3
280.10815	2.4
281.08197	6.8
289.08640	2.0
291.06641	1.7
292.07318	6.1
293.08160	6.6
294.08734	2.1
296.10321	2.4
303.23230	1.5
306.09097	1.4
307.09677	52.5
308.10431	6.5
309.07693	1.8
309.11093	2.4
311.09219	1.6
311.12817	27.7
321.09479	11.2
321.24359	6.3
324.09991	6.2
325.57404	1.0
339.12335	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
54.34260	1.0
61.02933	1.0
63.64288	1.0
69.03439	8.5
70.77899	2.5
70.78235	1.9
71.05013	1.9
73.02905	1.2
81.03416	9.3
85.02896	3.2
86.19833	1.0
89.03929	10.8
91.05486	3.5
97.02901	2.2
98.46060	1.0
99.04450	4.2
106.73569	1.2
109.02905	5.5
117.03385	27.8
118.13390	1.0
119.00920	1.2
119.04952	6.3
127.03976	5.4
133.55629	1.1
137.05988	1.6
145.02866	56.6
147.04425	24.0
149.06000	9.9
152.13132	1.1
163.03929	2.2
172.52061	1.2
177.05487	100.0
195.06557	3.2
267.71951	1.2
288.52557	1.1
321.09537	7.4
322.14148	2.5
339.11343	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	339.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01880	6.5
55.05507	2.6
56.96565	37.0
57.03431	13.2
61.02934	14.6
66.49705	1.8
69.03082	3.5
69.03436	39.8
69.07063	2.5
69.25193	6.5
69.25613	11.1
70.03779	3.7
70.06600	3.2
70.98113	2.5
71.04990	5.9
73.02917	13.2
80.55044	2.4
81.03418	14.9
81.07069	4.0
81.71112	1.8
83.05041	2.3
84.96030	6.7
85.02912	70.9
86.03257	4.5
87.04469	4.0
87.06544	2.0
89.03930	2.6
91.03970	2.5
91.05470	5.4
97.02901	40.9
98.97591	86.2
99.04467	8.2
99.08112	2.6
101.00871	7.3
101.02360	2.8
101.12629	2.1
102.00949	2.2
103.00665	2.9
109.02892	7.5
110.01314	2.8
110.97572	21.8
112.99149	5.1
113.00876	3.4
115.00661	2.7
115.04006	4.0
116.98635	27.9
117.03307	2.4
119.01915	18.3
119.04967	6.7
119.08662	2.0
120.43877	1.8
121.01687	3.7
121.02873	2.1
124.99115	4.8
126.02580	2.1
127.00696	4.8
127.03925	25.1
128.04240	3.0
128.98633	20.7
129.03900	2.5
130.04726	2.2
131.00171	4.5
131.01920	8.6
132.97951	2.3
133.01744	3.6
134.99644	3.9
135.04413	4.2
137.02292	2.2
137.05965	9.6
138.02557	2.8
139.03912	2.1
140.02261	2.8
140.98599	3.4
143.00168	11.2
143.01913	7.4
143.03842	10.2
144.02087	3.7
145.01709	12.8
145.02711	2.6
145.04950	10.3
146.99677	9.4
147.03149	13.5
147.04436	11.6
152.98611	2.3
153.01840	21.2
153.03018	3.7
155.01987	4.1
155.04710	3.0
156.03561	2.2
158.03635	2.1
158.99661	31.2
159.03282	3.0
159.04913	5.1
161.01265	6.9
161.02975	6.4
161.04874	9.7
162.03067	3.9
163.02718	4.6
163.03905	23.0
164.04272	2.6
167.07031	3.4
168.03947	4.6
168.05450	100.0
168.55661	8.0
170.99663	13.0
173.01312	3.0
173.02928	5.4
173.04909	9.7
176.53592	2.7
177.00729	18.5
177.04202	7.5
177.05898	78.9
177.56166	6.9
182.03386	3.6
182.99686	3.7
185.01260	2.6
185.02899	2.5
186.06787	2.8
187.02943	4.3
188.56761	6.4
189.00705	11.7
191.02307	3.8
191.04175	3.0
191.05896	13.5
193.00240	5.0
193.03270	3.7
195.05103	4.4
197.03036	2.6
201.00729	7.9
203.03998	4.2
203.05835	2.2
205.03667	2.3
207.01814	4.6
209.06827	3.1
213.00706	6.1
215.05992	2.4
219.01701	29.7
219.05223	5.2
220.02232	2.8
221.03096	2.2
221.05072	7.5
222.05228	2.8
223.01234	2.9
223.04851	4.0
231.01712	3.6
237.02786	35.1
237.06256	4.7
239.06177	7.9
245.05139	3.8
248.55812	2.4
249.02928	4.0
249.06047	9.2
249.08142	31.2
249.58313	3.3
255.03891	12.9
257.56268	3.3
258.08752	48.8
258.58798	7.7
261.02878	8.2
273.02893	2.4
276.10028	2.9
279.03809	7.7
294.10846	4.4
319.12595	2.9
321.04935	3.1
335.06516	2.9
335.10202	28.2
339.05453	6.1
339.09726	9.4
339.12683	2.9
351.05518	2.4
353.07300	2.7
353.11276	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	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
65.03935	2.1
70.80416	2.2
77.90417	1.2
84.64745	1.0
89.03912	1.9
91.05497	11.9
97.02868	1.4
99.04427	1.2
117.03384	6.8
119.04947	22.1
127.03860	1.2
134.03662	1.5
145.02853	16.4
147.04420	100.0
148.04680	1.1
149.05971	2.7
159.19032	1.1
177.05484	31.1
195.06599	1.8
234.26678	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55221	0.5
53.03942	1.9
54.77654	0.5
57.03424	1.6
69.03429	4.4
70.45830	0.8
70.46204	1.1
71.04998	0.6
81.03428	13.4
85.02917	5.2
89.03419	0.8
89.03925	7.8
91.05468	0.9
97.02885	2.0
99.04456	2.2
101.00064	0.5
106.04192	1.0
109.02888	6.0
117.03392	25.2
119.04931	2.0
127.03924	1.7
134.03659	1.4
135.04427	0.8
136.75240	0.5
145.02863	61.1
147.04410	5.8
149.05994	8.8
162.10300	1.1
163.03903	1.2
175.34566	0.6
177.05484	100.0
188.08192	1.3
195.06587	3.2
321.09683	13.6
322.14059	3.5
335.58228	0.6
339.10657	2.6
339.16550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03936	0.9
55.01857	0.9
59.62430	0.4
69.03442	5.0
69.34403	0.5
70.64461	0.7
70.64809	1.1
71.04982	0.8
73.86827	0.5
79.64510	0.5
80.51418	0.5
81.03426	7.7
85.02917	3.6
88.67930	0.4
89.03929	7.6
89.11703	0.4
91.05465	0.7
97.02880	2.4
99.04458	3.2
106.04194	1.1
109.02882	3.9
117.03393	25.8
127.03923	4.3
134.03625	1.9
135.04398	1.0
137.06007	0.8
145.02864	56.3
147.04436	2.3
149.06010	8.3
163.03932	0.9
177.05489	100.0
178.05836	0.6
195.06567	2.9
315.48639	0.5
321.09781	7.4
339.10730	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	10.4
61.02935	100.0
69.03420	20.4
69.74426	52.3
73.02921	11.9
84.75448	9.2
85.02924	56.2
85.95654	10.8
97.02885	18.3
98.97600	30.5
101.00925	18.2
110.14809	9.0
110.97590	10.5
113.00874	12.8
119.01912	28.6
127.03906	13.0
129.02107	11.7
131.01865	17.5
143.01924	11.7
144.99849	13.0
145.04979	12.0
148.02965	11.7
155.01848	16.1
161.02971	14.0
163.03897	14.2
177.02525	15.9
177.04073	13.6
188.02425	19.5
196.01532	13.1
196.85512	8.9
197.02953	28.6
205.01871	13.4
218.03526	19.3
219.01772	22.3
221.05060	11.3
227.03970	21.4
249.06363	15.1
258.06711	14.7
271.87384	10.7
333.03281	12.4
339.04794	40.0
339.08942	27.6
355.81180	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	338.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30069	0.6
55.01865	1.0
55.05517	0.9
55.17222	0.6
60.14811	0.5
67.05515	3.8
69.07073	10.9
70.68412	1.7
79.05500	2.3
81.07066	7.3
83.04996	2.7
86.09712	100.0
91.05489	7.3
93.07053	11.3
94.93583	0.5
95.04986	2.1
95.08614	1.8
97.06525	1.2
105.07046	8.8
107.08603	3.3
109.06518	7.9
109.10189	1.2
111.08094	2.4
117.06976	0.7
119.08607	3.7
121.06643	0.4
121.10153	0.8
123.08073	0.7
123.11740	0.8
128.10715	5.1
131.08542	2.9
133.06514	0.9
133.10144	15.2
144.10127	0.6
144.79208	0.6
145.10127	0.7
146.11778	28.2
147.11694	7.4
149.09619	0.8
151.07568	2.1
151.11197	32.2
152.46695	0.6
156.10255	2.0
156.96262	0.5
157.10240	0.7
165.12778	1.8
173.08057	0.6
175.11209	3.5
193.12302	3.3
210.14963	1.6
222.14859	2.5
260.20099	5.5
278.21170	36.5
287.07101	0.5
306.20758	2.9
320.22305	2.7
338.23239	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	339.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	10.4
61.02935	100.0
69.03420	20.4
69.74426	52.3
73.02921	11.9
84.75448	9.2
85.02924	56.2
85.95654	10.8
97.02885	18.3
98.97600	30.5
101.00925	18.2
110.14809	9.0
110.97590	10.5
113.00874	12.8
119.01912	28.6
127.03906	13.0
129.02107	11.7
131.01865	17.5
143.01924	11.7
144.99849	13.0
145.04979	12.0
148.02965	11.7
155.01848	16.1
161.02971	14.0
163.03897	14.2
177.02525	15.9
177.04073	13.6
188.02425	19.5
196.01532	13.1
196.85512	8.9
197.02953	28.6
205.01871	13.4
218.03526	19.3
219.01772	22.3
221.05060	11.3
227.03970	21.4
249.06363	15.1
258.06711	14.7
271.87384	10.7
333.03281	12.4
339.04794	40.0
339.08942	27.6
355.81180	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	338.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	11.1
65.48868	10.2
67.05515	13.8
67.83801	8.4
71.48576	14.4
71.48961	10.6
72.08139	18.1
73.02925	9.3
73.46301	10.8
73.68655	10.7
85.02908	18.8
86.09663	17.8
97.02898	11.6
97.06541	16.8
98.97597	37.6
113.05994	28.5
119.04989	18.8
127.03929	22.6
131.07112	18.6
141.05453	21.0
145.02878	18.7
145.04912	11.3
147.04425	63.6
150.32086	11.3
159.06546	16.4
161.63673	9.5
163.03885	68.2
176.07089	15.5
177.00681	12.8
177.05443	16.2
226.90062	13.9
246.00957	12.2
253.07086	11.7
297.26242	13.9
338.09216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01855	1.9
55.05517	40.5
57.03439	23.2
57.07081	14.0
65.03941	3.4
67.05511	81.5
68.25908	1.5
69.07074	53.5
70.17458	3.0
70.17847	3.8
71.05000	3.2
71.08626	3.9
74.09726	3.8
74.67249	1.5
79.05497	21.0
81.07063	86.9
83.08627	28.8
85.06554	2.7
91.05482	17.3
93.07053	25.9
95.08615	66.2
96.08951	1.8
97.06546	5.1
97.10157	13.9
98.88638	1.5
99.08125	2.9
101.23683	2.0
101.26266	1.8
105.07044	11.9
107.08624	12.1
109.10171	27.4
111.08094	2.9
111.11697	3.1
119.08595	7.6
121.10157	13.0
123.11729	11.3
127.41884	1.7
131.53920	1.7
133.10149	10.5
135.11707	7.4
137.13248	5.8
147.11658	7.7
149.13284	7.6
161.13295	4.7
163.14867	3.4
175.14793	2.0
245.22672	3.2
263.23804	5.9
317.31830	1.6
337.10718	4.1
337.27420	100.0
337.32794	6.2
338.27731	2.6
338.34357	2.3
357.72272	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01884	2.0
55.05517	29.3
57.03443	20.4
57.07085	5.6
61.03907	0.9
65.03925	2.0
67.05508	66.7
68.05839	1.2
69.07074	35.2
69.60524	3.1
69.60960	3.5
71.04992	2.3
71.08613	2.7
79.05498	18.6
81.07062	78.4
83.05002	1.2
83.08624	24.5
85.06564	2.0
86.79899	1.0
91.05495	11.4
93.07051	19.0
95.04979	2.2
95.08612	66.9
97.06548	3.2
97.10175	13.0
99.08101	2.1
105.07027	10.4
107.08603	13.0
109.06553	2.3
109.10165	30.5
111.08137	2.3
111.11729	2.9
117.06981	1.0
119.08588	7.2
121.10139	12.1
123.08065	1.7
123.11716	10.8
125.09605	1.3
129.05492	1.6
133.10133	7.7
135.11688	6.6
137.09639	1.8
137.13278	4.7
138.27365	0.9
139.11157	1.2
145.10126	1.9
147.11667	5.4
149.13269	4.6
151.14806	1.8
155.08607	1.1
159.11681	1.7
161.13281	5.6
163.14871	3.2
165.16409	1.6
173.28560	1.1
175.14850	4.4
177.16370	1.9
187.14777	1.2
189.16299	2.1
245.22641	6.5
263.23730	10.3
337.27429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03948	2.5
55.01878	1.1
55.05515	34.1
57.03443	16.0
57.07082	5.0
59.05002	0.7
65.03951	3.0
67.05509	86.9
69.03423	0.8
69.07075	41.0
70.84996	1.7
71.04987	2.5
71.08636	2.4
72.79724	0.5
73.92563	0.5
79.05496	22.5
81.03412	0.7
81.07061	79.2
82.07416	0.7
83.04976	3.1
83.08622	17.3
85.06551	2.8
85.10189	0.8
91.05477	13.7
93.07050	23.8
95.04970	2.1
95.08611	56.3
97.06507	3.5
97.10170	8.1
99.08087	1.9
105.07035	10.0
107.08606	13.9
109.06501	1.2
109.10161	17.8
111.08081	2.1
111.11726	1.8
113.05998	1.1
113.09660	0.7
117.07001	0.6
119.08591	8.5
121.10155	11.1
123.08096	1.1
123.11720	8.4
125.09686	1.2
130.30872	0.6
131.08588	1.8
133.10132	8.0
135.11674	6.6
137.09566	1.5
137.13263	2.7
139.11224	0.9
143.08528	0.7
145.10138	1.3
147.11713	5.7
149.09578	0.5
149.13258	4.2
151.11159	0.8
151.14845	1.2
153.12741	0.9
157.10098	0.6
159.11739	0.6
161.13252	3.4
163.14807	3.1
165.12755	0.6
171.11720	0.7
175.14873	2.4
177.16368	1.6
179.14296	0.9
185.13396	0.8
187.14789	0.7
189.16455	1.0
191.17751	0.6
197.13365	0.6
207.17468	0.6
235.16847	0.6
245.22609	1.0
263.23767	2.1
301.25333	0.6
312.02402	0.6
319.26221	1.8
327.91022	0.6
337.27411	100.0
338.27982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
55.01863	0.9
67.05503	0.8
69.03426	1.0
69.70045	4.4
78.10952	0.7
81.03414	0.8
85.02902	1.2
88.85137	0.7
91.05487	1.0
93.07034	0.9
101.37251	0.6
102.98553	0.9
105.06974	0.9
109.02898	0.8
130.04976	0.7
151.32144	0.8
163.03905	1.3
175.03674	8.5
185.04234	13.1
191.03305	0.8
217.01326	1.1
224.54315	0.9
235.02379	1.0
245.00848	0.9
246.94861	0.7
282.18085	0.8
305.02960	0.8
313.22482	0.7
337.02142	2.9
337.08939	100.0
338.09470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1649
Annotation	Dihydrotetrodecamycin
Peak:m/z	Relative Intensity
53.03952	12.3
55.01867	7.0
55.05514	27.3
57.03426	7.5
62.58841	2.3
65.03939	2.5
66.88935	2.5
67.05511	35.3
69.03434	24.7
69.06796	2.2
69.07079	24.3
70.61371	7.0
71.05006	10.4
77.88202	2.3
79.05499	30.6
81.03426	88.5
81.07063	83.3
82.04192	2.9
83.04990	13.5
83.08623	8.0
83.62688	2.2
85.06540	7.8
85.42801	2.3
91.05495	35.6
93.07063	28.2
95.04999	10.2
95.08618	29.3
97.02896	6.7
97.06511	11.6
97.10169	14.4
99.04450	8.0
99.08041	2.0
103.05469	2.4
105.07037	37.8
107.04956	9.0
107.08601	21.7
109.02145	3.8
109.02889	68.9
109.06525	9.8
109.10165	9.3
110.03673	22.1
111.04466	10.3
111.08091	3.7
117.07013	4.3
119.04943	2.4
119.08595	30.4
121.06508	5.0
121.10159	18.5
123.04453	15.2
123.08047	4.7
123.11718	15.9
125.02361	3.1
125.09676	2.1
127.03931	66.9
129.07013	7.8
131.04890	5.4
131.08601	6.4
133.10153	9.5
135.04391	2.5
135.08112	3.7
135.11717	5.4
137.06013	7.0
143.08560	4.0
145.06496	2.4
145.10158	5.9
147.08092	4.5
147.11688	59.8
149.06003	5.5
149.09668	3.6
153.05377	2.2
153.12784	2.9
157.10141	9.5
159.11656	4.0
161.05989	3.2
163.07568	4.6
163.11215	4.5
165.12755	31.2
173.06111	2.4
175.11243	14.5
177.05499	3.7
193.12221	14.6
217.12340	3.0
221.50781	2.2
239.09412	2.0
262.99887	2.4
273.14899	4.4
277.08597	2.7
283.13409	2.4
291.15973	3.9
319.15540	19.5
319.22745	9.1
337.10507	8.2
337.16513	100.0
337.23770	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	337.0897
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
71.01453	5.0
117.91527	2.7
157.03386	2.9
164.16039	2.4
247.06314	3.4
264.37268	2.4
279.41864	2.5
337.08685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
54.31789	0.8
55.01877	2.3
55.66389	0.8
56.68758	0.8
56.96570	39.8
57.03439	5.4
61.02931	10.6
68.96593	1.0
69.03438	8.6
69.35018	0.8
70.98131	23.4
71.05003	1.4
71.22353	0.7
71.48725	0.9
71.95265	4.0
72.96050	1.8
73.02910	3.8
74.97622	1.4
81.03414	2.7
82.99850	1.6
83.05005	1.7
84.96022	5.6
85.02910	17.0
88.99165	9.9
91.03966	0.8
97.02898	8.2
98.97594	66.9
99.04442	1.5
100.99150	1.1
101.00904	6.3
101.02351	1.2
103.00643	3.5
103.01294	1.1
107.00212	1.1
109.02901	1.8
110.97581	24.8
112.99149	13.6
113.00883	1.2
115.00700	2.8
115.02440	2.4
115.03935	0.9
116.98634	17.9
117.02175	1.3
117.02952	0.9
119.01920	4.8
121.01691	2.8
124.95495	10.7
124.99141	2.0
126.97054	1.8
126.98822	0.9
127.00719	1.8
127.02455	2.7
127.03923	5.9
128.98619	24.9
129.02167	1.1
129.04102	0.8
131.00179	9.5
131.01862	4.5
133.01691	3.4
133.03448	4.0
134.99687	3.1
135.03197	1.1
139.02452	1.0
140.98625	5.2
142.96532	5.8
143.00215	2.0
143.01909	5.1
143.03542	0.9
144.98181	1.1
144.99872	1.3
145.01726	4.4
145.03456	4.0
145.04988	2.5
146.99666	18.3
147.03212	3.2
147.05057	1.0
149.00136	1.0
149.01265	3.2
149.04756	1.8
152.94995	4.7
152.98627	1.9
154.96542	1.4
155.01860	4.1
156.98131	3.1
157.01671	2.9
157.03441	5.2
158.99690	8.1
159.01472	0.8
159.03232	3.1
159.05121	0.9
160.97623	1.4
161.01265	2.4
161.03011	3.8
161.04541	0.8
163.02786	2.7
163.04193	0.8
165.00710	8.1
166.04774	2.5
167.01999	1.6
167.05573	1.0
169.03442	1.2
170.96036	13.4
170.99693	4.5
171.01216	1.4
172.97658	1.8
173.01273	5.5
173.03003	5.6
174.02864	1.1
174.04497	1.7
174.99152	4.5
175.02827	3.4
175.04514	1.7
177.00755	3.9
177.02383	0.8
179.02191	1.2
181.03554	1.7
183.05116	1.6
184.97630	6.2
185.02939	4.8
186.99216	2.7
187.01118	2.0
187.02789	3.3
187.04434	1.7
188.02460	2.1
188.97102	16.0
188.98825	1.2
188.99155	1.4
189.00700	12.4
189.02162	0.6
189.04462	1.3
189.06146	1.0
190.98663	1.7
191.02330	2.9
191.04021	1.6
193.00320	3.8
193.03830	3.4
197.03027	2.9
198.99184	1.2
199.04530	1.0
200.99205	0.9
201.00748	4.2
201.02403	1.2
201.06100	1.0
202.98671	9.7
203.02249	1.6
203.04105	2.6
204.03809	0.8
205.00200	6.5
205.03822	2.0
206.98071	4.7
207.01805	6.2
209.03120	0.9
211.04927	2.0
212.97079	4.8
214.98628	1.2
215.00482	1.0
215.04028	1.2
217.00233	6.0
217.01955	1.8
217.03809	1.2
218.03488	3.7
219.01764	8.9
219.03391	0.7
220.99765	4.5
221.05054	3.0
223.01294	2.1
223.04910	2.0
224.99228	1.3
226.02493	0.8
227.04088	3.4
229.03857	1.0
229.05795	2.1
230.98141	16.0
232.99818	2.6
233.03384	2.1
235.01215	2.6
235.04825	1.1
235.06769	2.2
237.02820	10.1
237.06483	1.8
244.99692	18.1
245.05190	3.8
247.03197	1.3
247.07256	5.5
248.99234	5.4
249.02850	1.5
251.04356	4.1
255.03946	1.8
256.07645	1.1
257.05124	1.3
259.06693	1.4
263.00769	28.9
265.07925	0.9
267.03827	1.0
269.05295	0.9
271.06802	2.1
277.02405	14.0
277.05566	1.8
277.07950	2.6
281.01898	2.3
281.05453	1.6
295.03455	3.1
295.07083	5.5
301.07626	1.4
305.01901	2.2
305.05612	9.0
315.02094	1.6
319.08716	1.2
331.08957	1.1
337.09015	100.0
349.09906	1.4
355.09338	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	15.6
57.03428	2.7
58.99578	6.1
60.78264	2.4
65.03918	2.3
67.05511	30.6
67.99834	1.9
69.07072	36.7
69.91565	8.8
70.07383	6.2
71.04985	7.1
76.02225	9.2
79.05493	14.3
81.07059	73.4
83.04997	4.8
83.08631	17.6
85.06554	17.8
86.99063	4.2
91.05479	21.5
93.07056	17.9
95.08612	96.0
97.06540	21.8
97.10153	8.1
99.08094	13.8
105.00076	7.3
105.07028	28.4
107.08590	12.0
109.06549	3.2
109.10146	8.2
111.08074	6.8
119.08588	42.5
121.10139	9.9
122.02721	10.3
123.08061	5.8
133.10139	30.9
135.11676	19.7
137.02312	7.1
137.09641	3.4
137.13245	15.7
138.02719	3.8
141.09134	3.6
149.13242	3.8
150.05490	7.3
151.05814	7.9
161.13264	100.0
162.13608	2.3
166.05074	4.4
167.05305	5.0
171.47479	2.0
174.08765	2.2
179.14320	87.3
185.15359	4.0
191.12674	2.2
197.15388	71.0
215.16408	13.6
219.12125	5.6
227.00418	2.1
229.10588	3.9
229.12619	4.1
239.87456	2.2
247.11560	3.4
255.14195	2.3
273.15237	8.5
288.10345	2.7
318.11557	7.6
319.15689	19.8
336.13031	5.7
336.18350	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	337.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	56.2
61.02905	1.4
70.42686	2.7
70.43015	2.2
70.98125	44.7
71.95264	6.3
72.96044	3.1
79.13980	1.3
79.17014	1.2
84.96033	6.7
88.98632	1.6
88.99158	14.9
98.97588	100.0
100.99142	1.5
110.97572	33.3
112.99142	6.5
115.00705	2.2
116.98624	19.0
124.95488	18.3
124.99115	1.9
126.97034	2.3
127.00639	1.7
128.98608	43.0
128.99583	2.3
131.00163	4.8
133.01736	2.0
134.99646	3.9
138.97104	1.9
140.98604	7.8
142.96535	9.7
143.00162	2.6
144.98096	1.7
145.01707	2.6
146.99652	31.7
149.01268	2.7
152.94966	9.2
152.98564	1.6
154.96481	2.0
156.98138	6.4
158.99648	13.0
165.00717	7.4
170.96021	29.3
170.99661	8.3
172.97569	4.1
173.01254	2.1
173.02866	1.2
174.99173	8.7
177.00778	2.8
184.97597	16.0
186.99110	5.2
187.02718	1.6
188.97096	27.5
189.00719	28.5
190.98726	1.9
191.02208	1.4
191.42291	1.3
193.00180	3.2
198.99146	1.5
201.00739	3.5
202.98653	17.9
205.00226	9.2
206.98183	6.8
207.01762	13.3
212.97054	14.5
214.98601	2.2
217.00259	10.5
219.01804	12.5
220.99670	8.9
223.01108	2.3
226.98689	2.3
230.98143	38.0
235.01262	5.7
237.02812	5.4
244.99716	33.4
247.01251	2.3
248.99153	7.1
249.02817	2.3
251.04430	3.0
263.00763	48.1
277.02283	27.8
277.05893	7.9
281.01788	4.0
295.03326	7.5
295.06982	18.6
305.01797	5.4
337.04504	1.6
337.08075	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	335.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.05280	1.3
55.05514	16.7
57.03445	21.3
57.07069	2.5
59.05015	1.1
61.19115	1.3
65.03926	2.9
67.05511	64.2
67.45613	1.0
69.07076	16.3
69.55560	6.8
79.05495	35.6
81.07063	72.8
83.05002	1.6
83.08611	8.0
85.06551	1.4
87.60567	1.0
91.05484	20.0
93.07051	46.8
93.07648	2.4
95.04980	2.0
95.08612	54.2
97.06488	2.6
97.10175	2.7
99.08081	1.6
104.95177	1.0
105.07030	15.6
107.07901	1.6
107.08600	25.0
109.06477	2.0
109.10162	26.2
117.07026	4.6
119.08585	11.8
121.10154	25.2
123.11712	9.6
129.05507	1.5
131.08589	8.0
133.10120	11.5
135.11719	15.8
137.09636	1.3
137.13248	2.5
145.10127	9.2
147.11694	8.5
149.13243	12.0
151.14848	1.8
159.11699	6.4
161.13269	6.1
163.14816	5.2
173.13286	4.1
175.14841	3.6
187.14819	3.8
191.14368	1.3
201.16464	1.8
243.21077	11.9
261.22156	11.8
292.55417	1.2
317.24896	2.5
335.25836	100.0
336.26193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.01197	1.3
53.03936	5.4
55.05273	2.1
55.05517	26.7
57.03443	25.9
57.07063	2.0
58.68384	1.3
64.16710	1.3
65.03943	3.5
67.05511	100.0
69.07074	21.3
69.40649	1.4
69.50907	10.3
70.85396	1.4
71.04982	2.5
75.24619	1.3
77.03909	1.6
79.05501	49.1
81.07061	82.4
83.04971	4.4
83.08617	10.4
91.05486	23.9
93.07050	50.6
95.04995	2.9
95.08002	3.3
95.08612	64.0
97.06557	3.8
97.10189	3.4
98.20837	3.2
98.25949	1.5
104.42062	1.7
105.07043	14.3
107.08601	25.5
109.06509	1.8
109.10170	25.4
111.08067	2.1
117.07024	5.3
119.08618	9.9
121.10143	19.2
123.08108	1.6
123.11732	8.2
130.45663	1.6
131.08537	8.2
133.10150	7.9
135.11719	12.4
137.13251	2.3
139.67854	1.6
145.10118	5.0
147.11658	5.8
149.13213	7.6
159.11684	3.8
161.13277	5.5
163.14909	2.3
173.13315	4.4
175.14847	1.8
187.14893	2.0
243.20927	2.3
261.22232	5.4
335.25833	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02365	1.1
53.03952	5.3
55.01869	1.6
55.05513	24.7
56.29892	0.9
57.03440	21.0
57.07068	1.5
59.84007	1.0
65.03954	5.0
67.05509	100.0
69.07072	21.5
71.04978	2.9
71.29144	1.1
79.05496	49.0
79.64362	1.1
81.07059	86.9
82.80196	0.9
83.04983	1.9
83.08622	7.2
85.06531	2.1
91.05483	25.6
93.07050	51.6
95.04956	3.3
95.08613	68.8
97.06519	3.6
97.10166	3.8
105.04500	1.2
105.07035	14.4
107.08601	24.8
107.61127	0.9
109.06534	2.0
109.10159	29.7
111.08102	1.5
113.34396	1.0
117.07022	4.0
119.08589	12.0
119.85221	1.1
121.10150	19.0
123.08062	2.0
123.11725	9.5
131.08568	9.1
133.10123	8.7
135.11694	13.1
137.09634	1.5
137.13260	2.4
145.10141	6.5
147.11710	7.7
149.13269	8.4
159.11655	5.2
161.13283	5.5
163.14833	3.0
173.13324	5.4
174.79756	1.1
175.14780	1.4
179.14223	1.5
187.14891	2.6
201.16479	1.1
229.86826	1.0
243.21104	2.8
261.22165	9.0
281.33762	1.1
335.25800	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.30634	0.7
51.68876	0.7
53.03934	3.0
55.01862	2.3
55.05513	17.3
57.03440	22.5
57.07072	2.5
61.16952	0.7
65.03934	3.1
67.05507	74.7
67.39633	0.7
69.07069	14.6
69.34283	6.8
71.04994	1.4
72.04508	0.8
75.04526	0.7
77.03931	1.0
79.05498	41.9
81.07059	79.7
83.04993	1.9
83.08630	7.9
85.06530	1.6
91.05482	19.9
93.07049	47.1
95.04980	2.9
95.08613	58.9
97.06533	2.8
97.10196	3.7
97.21613	0.8
98.21501	1.1
99.08073	1.3
105.04531	1.0
105.07027	14.3
107.08596	26.2
109.06518	1.7
109.10159	29.1
111.08085	1.1
117.07018	4.8
119.08585	13.2
121.10149	22.7
123.08109	0.9
123.11716	10.5
129.05479	2.4
131.08578	11.7
133.10126	11.1
135.11697	17.5
135.12718	0.8
137.09550	0.9
137.13269	2.5
145.10143	8.9
147.11697	6.5
149.13275	12.5
151.11145	1.2
151.14854	0.8
159.11694	6.7
161.13249	7.9
163.14847	4.9
165.12750	1.2
173.13275	6.3
175.14841	3.1
177.16422	2.6
187.14828	4.4
201.16403	1.3
222.12192	0.7
243.21107	11.1
252.52731	0.9
261.22141	11.8
279.23184	2.1
317.24823	3.8
335.25818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02398	1.2
53.03958	5.0
55.01866	1.2
55.05516	21.5
57.03442	23.9
57.07063	2.1
65.03938	3.4
67.05509	95.6
69.07073	21.8
69.30617	6.0
69.31046	3.5
71.04990	2.1
73.63032	1.0
79.05498	43.5
81.07062	90.7
83.04982	2.5
83.08627	8.0
85.06535	2.6
88.27428	1.1
91.05489	21.5
93.07050	47.0
95.04964	3.8
95.08614	75.6
97.06528	2.7
97.10149	3.7
98.20801	2.4
105.04492	1.4
105.07035	14.8
107.08598	27.5
109.10165	26.4
111.11700	1.3
117.07031	4.8
119.08585	12.2
121.10147	19.6
123.08068	1.9
123.11734	9.1
131.08560	8.8
133.10141	9.2
134.55367	1.3
135.11700	14.6
137.13272	2.7
142.40059	1.1
143.44382	1.1
145.10139	4.8
147.11710	4.4
149.13260	8.0
151.11179	1.3
159.11667	5.3
161.13290	3.6
163.14801	3.3
173.13268	5.3
177.16368	1.3
187.14850	3.3
201.16405	2.0
243.21146	2.6
256.15210	1.0
261.22116	9.9
335.25821	100.0
336.26053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03939	2.4
55.01871	1.5
55.05521	13.1
57.02464	0.9
57.03164	1.4
57.03441	22.5
57.07068	2.9
66.02743	1.0
67.05509	65.0
69.07078	11.6
71.04999	1.3
71.23106	2.4
79.05501	32.3
79.29157	1.1
81.07063	67.3
83.04980	1.2
83.08633	8.8
85.06532	1.2
91.05487	15.7
93.07052	37.2
95.04983	2.7
95.08614	54.8
97.06530	3.6
97.10197	2.2
99.08070	1.1
105.04561	1.0
105.07048	12.8
107.08600	20.5
109.10159	22.7
111.08098	1.9
117.07038	4.8
119.08591	10.1
121.10162	18.7
123.08059	2.0
123.11723	9.7
131.08586	8.4
133.10138	8.9
135.11691	12.6
137.13280	1.8
145.10149	7.0
147.11700	5.5
149.13237	9.0
151.14775	1.2
153.00465	1.1
159.11697	4.6
161.13280	5.1
163.14848	5.0
165.12692	1.0
173.13266	5.7
175.14862	1.8
177.16475	1.4
187.14771	2.5
201.16150	1.2
203.71336	1.0
205.16028	1.1
243.21071	5.4
246.16409	1.0
261.22177	11.5
317.24695	1.7
335.25824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.9
55.01884	4.3
56.96555	7.5
57.03444	5.8
59.00584	2.6
61.02909	6.3
65.03951	3.0
67.05514	5.3
69.03427	17.0
69.07052	2.8
70.15958	11.6
70.76775	2.9
70.98120	2.9
71.04997	20.0
72.32903	2.9
72.39378	2.6
73.02919	9.7
81.03428	40.0
82.04203	9.0
83.04980	2.4
85.02917	27.3
85.06551	4.6
89.06042	5.5
91.03970	3.1
95.04972	21.0
97.02904	11.4
97.06538	6.4
98.03699	4.2
98.97595	53.5
99.00829	3.4
99.04470	5.1
101.27560	2.4
109.02898	19.2
113.06016	47.3
114.96501	3.1
116.98629	15.1
119.03436	3.2
123.04456	8.6
123.05570	7.3
127.03925	7.5
127.07584	4.0
131.00211	3.7
141.05478	42.1
145.05003	4.2
146.99631	5.0
147.04457	3.4
155.07033	9.7
158.97464	4.6
158.99651	9.7
163.03909	3.0
173.08116	100.0
174.99146	4.8
177.00706	36.9
195.01744	13.6
199.05411	3.7
201.04056	5.3
234.98979	14.4
235.01291	8.5
237.02806	4.4
243.11276	3.3
247.01208	9.6
253.02220	4.4
265.02509	16.6
271.10797	5.3
289.03448	5.5
289.11890	8.0
291.01266	4.0
299.10254	4.2
303.73425	3.0
317.11359	19.8
335.12036	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	335.124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52125	0.9
53.03939	1.2
55.05515	1.6
61.46951	0.8
61.99167	0.8
65.03936	3.8
67.05508	5.9
69.03426	1.2
69.07073	100.0
69.74617	2.2
69.75034	2.6
71.04987	2.2
74.82632	0.8
76.84143	0.9
79.05486	1.8
81.03415	3.1
81.07061	6.9
85.02948	1.1
85.06536	1.5
91.05476	1.9
92.05022	4.9
93.07047	2.2
94.06584	5.2
95.04956	2.2
95.08591	1.9
96.08118	1.7
97.06533	17.8
98.21536	0.9
105.07013	1.4
107.08607	1.3
109.02872	2.9
109.06511	2.0
117.07001	1.4
119.03692	1.0
119.08559	1.8
119.82594	0.9
120.04481	1.4
121.10143	1.0
122.06046	10.9
124.07601	2.1
125.06013	1.4
127.03887	0.9
127.07552	1.5
129.06969	0.9
131.07269	1.4
131.08459	0.9
133.10083	1.0
137.01378	1.4
137.02370	19.8
137.03418	2.5
137.05980	6.3
138.05498	6.4
139.03886	1.6
140.07076	8.3
141.07895	0.9
143.08430	0.9
144.08134	2.1
145.08699	5.4
145.10153	2.9
146.09694	4.6
148.03908	3.9
149.09615	0.8
150.05516	84.3
152.03333	0.9
157.08858	2.4
160.07605	1.7
160.11200	1.2
161.08350	6.2
162.09154	3.3
163.05125	0.9
164.03398	1.1
165.04179	1.3
166.05020	30.9
167.07213	1.1
168.06595	1.8
172.07513	1.2
172.11200	6.0
173.08365	2.4
174.05440	0.9
174.09174	2.4
174.12854	5.3
174.14102	0.9
176.03464	9.5
178.05019	2.7
179.14288	1.0
185.08385	1.6
186.07635	1.5
186.09201	1.1
188.10721	3.2
190.12286	10.2
194.04533	3.5
198.09200	1.8
200.07109	1.1
200.10735	8.2
202.12273	9.1
213.10278	1.1
216.10271	6.8
218.08415	1.4
218.11775	32.3
218.13893	1.5
226.08601	2.8
228.10243	16.1
229.13290	1.0
234.11246	5.7
235.87985	0.9
243.11240	2.0
244.09689	2.2
245.12901	1.8
246.11273	26.7
254.08043	1.7
256.09689	1.9
257.09265	1.4
261.08612	1.2
262.10681	2.0
271.10785	6.6
272.09186	5.5
273.12308	3.1
274.10645	3.5
287.10257	9.5
288.08514	1.4
289.11847	11.0
290.10281	2.9
291.13358	1.2
299.10358	10.8
317.11346	32.4
318.09506	2.3
335.08722	1.7
335.12433	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.89544	1.2
56.96312	1.6
56.96567	17.4
57.03423	1.4
61.02913	1.7
69.03411	3.3
70.05189	2.1
70.05582	3.5
70.06578	1.4
70.98130	11.4
70.99844	1.9
73.02924	3.0
81.03429	1.9
82.99847	7.7
85.02921	7.5
86.03252	1.5
87.04453	1.1
88.99154	4.0
91.05467	2.2
94.16645	1.2
97.01403	1.7
97.02916	5.6
98.97592	22.8
99.97883	1.4
101.00892	38.9
108.08103	3.1
108.32716	1.0
109.02920	1.4
109.08464	2.7
110.97552	4.2
111.02979	1.1
113.00877	15.3
113.04523	2.0
115.02414	4.5
116.98640	5.9
119.01925	26.8
119.04935	2.5
120.08095	1.9
122.31947	1.1
123.04733	1.2
123.05543	7.0
124.99156	1.3
125.29760	1.1
127.02390	5.2
127.03896	2.7
128.98631	6.7
129.03973	2.6
130.06514	1.4
131.01923	19.0
131.05542	11.4
133.03455	3.7
137.00824	5.3
137.05949	5.2
138.06274	2.4
139.02411	1.4
143.01912	99.9
144.98021	1.7
145.03453	9.6
145.04880	1.8
146.99654	7.7
147.03154	1.3
147.04277	2.0
147.05188	1.4
148.04765	1.3
149.06621	6.5
153.01849	7.0
154.96518	5.2
155.01910	37.6
155.04521	2.5
155.05696	5.9
155.54893	1.3
156.02678	3.2
157.03477	7.6
158.99667	7.7
159.05013	5.0
161.02975	80.1
163.03960	1.4
163.12068	1.2
165.00661	2.0
167.05501	2.7
169.03471	1.6
169.07056	3.3
170.99713	1.4
171.05031	2.9
172.97551	8.1
173.01450	2.2
173.02994	22.8
173.05090	2.5
173.06610	33.5
175.04512	2.6
177.00725	3.3
177.02211	1.2
177.06038	4.4
183.04999	1.5
184.04610	1.9
185.03055	5.6
185.04948	2.2
185.06612	36.2
187.04605	1.5
187.08131	5.9
189.00751	1.3
190.98611	8.0
191.02245	1.7
191.03891	1.9
191.05969	1.7
191.07645	5.0
197.06589	2.9
199.04393	1.3
199.08195	2.7
200.97139	1.5
201.00713	1.5
203.02225	2.3
203.03979	13.5
203.07671	16.7
205.00237	5.4
208.04915	2.5
208.55096	1.7
209.06677	2.6
214.98657	2.0
215.04056	2.6
215.07640	15.8
218.98041	3.9
219.01656	5.6
221.05081	22.3
223.01225	3.0
227.07669	3.5
227.56877	3.0
232.99661	12.6
233.05026	3.7
233.08762	3.1
237.02779	5.2
239.06021	1.8
244.07730	1.8
244.58067	10.0
245.05048	5.0
245.07315	1.3
247.01274	2.8
249.02776	1.7
251.00777	4.4
257.08600	8.5
261.02396	1.3
273.08243	1.6
275.00687	4.8
275.09793	45.6
293.01761	4.2
293.10837	100.0
294.10892	2.1
303.61545	1.2
309.08530	1.8
310.08997	1.7
316.12451	1.3
317.13214	2.4
325.60614	2.9
326.10727	1.7
335.08121	3.7
335.11801	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	335.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72404	5.1
56.96562	37.9
69.03411	5.6
69.49782	15.4
69.50208	26.5
70.98110	24.4
74.41679	6.2
85.02907	9.8
88.99154	17.1
98.20828	11.4
98.97607	70.8
101.00880	17.9
108.08116	8.7
108.90038	6.4
110.97560	24.5
112.99142	12.6
113.00852	16.7
113.03490	18.1
116.98624	8.8
119.01884	17.5
125.00956	8.7
127.02448	9.3
128.98607	30.0
129.03990	11.1
131.00159	7.0
131.01897	21.9
137.00943	6.8
139.02458	7.5
142.96446	6.8
143.00192	6.7
143.01907	19.2
145.03467	26.6
146.99660	27.7
147.05000	15.3
155.01926	28.0
157.03458	17.3
158.99760	12.7
161.02956	9.8
165.00652	7.7
167.01859	10.3
172.97574	7.2
173.02963	14.7
173.06541	13.1
185.02942	20.3
185.06586	16.5
187.04524	11.2
189.00673	14.1
190.98660	6.5
197.02863	6.8
203.04030	16.0
207.01682	11.5
211.50072	5.9
215.52646	6.1
219.01770	30.5
221.05272	15.4
229.05560	8.3
232.99757	13.5
235.06615	16.5
237.02794	26.9
245.05011	10.3
249.08168	16.3
253.07895	6.6
259.06592	6.8
263.05963	8.2
270.83517	5.7
272.60168	6.0
275.00760	6.9
275.04266	7.4
275.09741	15.7
288.34503	5.4
293.05258	13.0
293.10797	13.2
303.05646	45.6
335.07413	100.0
351.00925	6.0
354.91461	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
59.94576	5.8
64.69722	5.7
66.39321	6.0
69.86222	29.9
69.86618	15.4
84.91955	6.0
112.20705	6.4
130.64755	6.4
183.01587	6.1
312.91275	6.8
335.07385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.074
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
61.02926	6.7
69.49271	27.2
78.53649	4.2
82.77275	3.9
85.02931	7.2
97.02898	7.4
98.21501	9.1
98.97584	11.4
101.00900	15.9
113.00893	6.1
119.01924	15.3
123.05563	15.1
127.02451	6.0
131.01912	15.9
141.01212	4.3
143.01917	15.5
145.03491	18.0
147.01410	6.0
155.01938	17.0
157.03514	10.8
161.03040	9.0
167.01971	4.4
169.03481	4.7
172.27721	5.3
173.02950	19.1
185.02971	17.1
201.02466	7.3
203.04005	6.2
206.02605	5.1
209.03183	4.5
213.02515	5.0
215.03969	6.1
226.02470	5.4
226.52499	4.6
233.05215	5.0
235.06616	11.1
237.02698	5.9
243.03583	7.4
245.05281	6.8
275.05951	4.5
303.02188	4.5
303.05612	14.9
335.07465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
52.64115	0.5
52.96321	0.5
53.03940	0.7
57.03432	1.6
61.02927	2.1
65.03923	1.6
67.05499	2.9
69.03429	4.8
70.22354	2.0
71.32568	0.5
73.02920	2.1
79.05473	0.8
81.03419	1.6
85.02910	7.4
86.83490	0.5
87.04448	1.6
90.90360	0.6
93.05761	0.9
96.08120	0.6
97.02882	3.1
98.20759	0.6
98.97604	0.9
99.04480	0.9
99.99670	0.5
106.06557	5.0
108.08121	100.0
109.02868	0.9
123.06799	3.4
124.07590	15.0
127.03869	1.4
128.98502	0.5
134.06024	11.0
136.07582	14.2
142.43251	0.5
150.05521	1.3
152.07072	67.4
153.07437	0.7
154.08621	0.7
170.08122	7.3
314.12354	34.4
315.12955	0.8
327.56525	0.6
332.13416	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1182
Annotation	1beta-(3-Hydroxy-4,5-dimethoxyphenyl)-O-glucopyranoside
Peak:m/z	Relative Intensity
54.10443	2.5
55.01852	4.1
57.03426	3.7
61.02929	6.7
65.03928	9.0
69.03423	11.0
70.06597	5.7
71.48892	2.7
73.02895	3.9
81.03410	10.0
81.07062	4.2
83.04980	5.4
85.02909	39.8
91.03897	2.8
93.03410	3.0
95.04957	3.1
97.02907	14.9
98.97575	6.1
98.98473	100.0
100.98866	7.1
108.08101	10.4
109.02863	7.2
109.08447	8.6
110.97587	3.2
111.04436	32.0
112.07568	4.2
117.42166	2.6
121.03995	5.6
123.04485	4.2
123.05544	10.7
127.03905	10.2
132.95833	4.3
135.04417	3.0
136.06183	10.6
137.05962	4.0
139.03909	77.7
140.28300	2.3
145.04967	4.2
152.06961	6.1
156.04193	2.8
158.97420	3.8
163.03903	6.1
167.07010	2.7
169.04962	3.7
171.06535	73.9
174.96867	3.9
176.98949	14.2
234.99062	16.1
237.02678	4.2
239.20558	2.5
311.61203	2.6
315.12592	6.5
333.06195	5.6
333.14001	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	333.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00045	0.5
65.47215	0.5
69.40110	4.0
83.05041	0.5
91.05472	0.4
96.14712	0.4
98.98486	7.2
120.97674	0.4
122.62763	0.4
123.04475	0.4
127.07522	0.6
133.29665	0.4
147.04399	0.7
162.05493	3.7
163.03963	0.9
167.07082	0.8
171.09970	2.1
176.98933	0.6
190.05008	1.0
224.28531	0.5
303.05048	1.0
315.09659	1.2
333.15234	100.0
334.15359	0.7
342.00967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84674	1.3
55.01868	4.8
55.05510	8.2
57.03442	6.4
57.07070	5.8
67.05508	23.8
69.03455	1.9
69.07066	12.7
70.75824	2.8
71.04966	1.7
71.08633	11.4
72.04519	85.9
72.93788	2.5
79.05497	13.7
81.07054	27.4
83.04982	1.8
83.08627	4.1
85.06558	3.3
88.07636	1.6
91.05486	10.4
93.07044	21.4
95.04973	19.1
95.08612	29.8
97.06533	5.8
97.10152	1.6
99.08087	6.5
100.07635	2.2
103.27676	1.3
105.07006	9.1
107.08590	16.2
108.05808	1.6
109.06526	25.8
109.10167	9.0
111.08069	1.8
113.96422	3.8
114.09174	15.3
117.06976	2.9
119.08582	6.3
121.06506	4.9
121.10160	6.6
123.08073	2.5
128.10733	7.8
131.08595	5.7
133.10133	8.7
135.08028	2.1
135.11734	3.0
140.10678	2.0
142.12291	5.1
145.10149	3.0
147.11719	3.9
149.09663	1.9
149.13283	6.0
156.13861	2.8
159.11705	2.4
161.13303	2.1
163.14842	1.8
165.12762	100.0
166.12274	1.4
173.13297	8.9
175.11209	4.6
175.14825	1.4
179.14217	1.7
180.13887	4.1
182.15433	15.3
183.11668	1.3
184.13414	3.2
184.16954	1.4
185.00816	1.4
187.14822	2.2
191.14305	7.1
194.15456	2.6
195.35802	1.6
201.12779	5.1
212.16443	11.5
220.16957	14.2
229.19576	4.0
236.20103	39.5
236.22365	2.6
243.21350	1.4
260.41946	1.4
261.22372	1.7
271.20627	7.8
278.20969	1.5
289.21631	8.2
306.17557	1.3
307.08850	1.5
316.26468	6.6
328.95966	1.3
334.27438	47.8
335.25854	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	331.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59003	2.8
55.05505	10.4
55.83198	2.8
57.03430	9.8
57.07084	100.0
58.07421	3.4
67.05515	22.6
69.07063	12.6
69.51661	22.5
70.06583	11.5
71.08247	3.9
71.08640	67.4
75.04491	3.5
81.07082	35.6
83.08631	29.3
85.10188	33.1
88.07627	9.9
89.06026	3.9
95.08078	4.6
95.08620	50.2
97.10170	15.4
98.21481	6.9
98.98486	62.1
99.11730	4.9
102.09246	2.9
106.08678	8.1
109.10166	25.6
111.14886	3.7
123.11706	11.1
127.20087	2.9
137.13251	7.4
147.00293	3.4
152.80661	3.0
173.58679	3.0
174.99153	5.7
176.98955	5.8
192.46892	2.9
221.22546	4.0
239.23756	17.2
257.24884	6.9
313.27411	48.9
313.32965	8.1
331.34009	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69904	0.6
57.03426	1.2
61.02916	2.3
65.03944	1.1
67.05502	2.9
69.03426	5.9
69.32049	5.3
73.02930	1.1
74.15353	0.6
79.05489	1.8
81.03433	1.9
81.05759	0.6
81.07011	0.7
85.02917	5.1
86.72902	0.6
87.04471	1.9
91.03928	0.7
93.05749	0.7
96.08123	0.7
97.02895	3.3
106.06549	4.5
108.08121	100.0
109.02891	1.2
109.05359	0.6
122.06045	0.7
123.06808	3.9
124.07600	16.7
127.03940	1.4
134.06035	9.8
135.03400	0.6
136.07584	13.5
151.05675	0.6
152.07071	66.5
154.08673	1.4
157.63396	0.6
170.08147	7.2
175.94673	0.6
314.12341	38.9
332.13419	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.2
56.55114	0.6
57.03431	0.7
57.07063	0.8
65.50171	0.6
67.05502	2.0
69.07065	2.5
71.49249	0.9
79.05495	3.5
81.03460	1.1
81.07066	6.4
83.04978	0.8
83.08621	1.2
91.05488	3.1
93.07038	5.3
95.04974	1.5
95.08624	6.2
97.06529	2.1
98.98473	100.0
100.98891	2.8
105.07046	4.8
107.08599	6.4
109.06533	4.0
109.10169	3.8
111.08089	1.5
116.99516	1.3
117.07034	1.6
119.08596	6.2
119.16766	0.7
121.06538	0.7
121.10142	3.6
123.08076	8.0
123.11716	2.7
129.07005	1.3
131.08575	2.9
133.10129	4.6
135.11697	4.1
137.05984	4.9
137.13254	0.9
145.10150	2.7
147.04445	1.3
147.11696	2.9
149.06013	0.7
149.13254	1.8
151.07539	1.8
151.11168	1.1
153.01860	1.2
153.06995	1.6
157.06485	1.5
157.10126	1.1
159.11734	3.5
161.06015	0.9
161.13307	3.2
163.14847	1.7
165.07027	1.7
167.07042	0.8
167.08556	0.8
168.05618	0.9
169.06467	0.8
171.11710	1.1
173.13237	3.4
174.99203	3.9
175.14854	2.8
176.98959	6.5
177.12762	1.4
179.14305	1.3
181.06502	1.8
183.08041	0.9
183.11769	1.0
185.05841	1.1
185.13242	1.4
187.14832	2.5
189.09117	1.2
189.16489	0.9
190.94627	0.6
191.14345	2.4
197.05852	0.8
198.06708	0.7
199.14815	2.0
207.06458	1.0
208.05194	1.8
209.05573	4.6
210.06758	1.4
211.07513	2.1
213.05507	1.4
213.16359	0.8
217.15878	2.7
225.16292	0.7
227.06981	1.5
229.15884	1.0
230.05667	0.9
237.05054	1.2
238.06175	1.3
239.18188	0.7
240.07611	0.7
241.04828	1.3
248.61725	0.7
252.99841	0.9
255.06195	1.6
255.10149	0.9
256.07159	1.3
258.04593	0.8
266.05548	0.7
269.08093	0.7
270.05759	0.9
270.08356	4.4
271.09592	3.5
273.07227	1.2
283.05624	0.9
285.07587	0.8
287.12823	1.0
288.09595	0.8
295.24139	4.1
299.09085	1.7
301.06699	0.9
313.25327	6.5
316.09027	10.7
331.08032	0.8
331.11615	22.8
331.26407	15.5
332.11792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2634
Annotation	7,10,13,16,19-Docosapentaenoic acid
Peak:m/z	Relative Intensity
55.05507	3.1
55.50856	1.0
56.75573	1.0
57.07079	1.4
63.41527	1.1
65.38323	1.1
67.05496	4.7
69.03391	1.2
69.07069	5.1
71.16639	1.2
71.16965	1.8
76.38152	1.1
79.05492	4.6
81.03415	1.3
81.07069	11.0
83.04990	1.1
83.08615	1.7
90.54005	1.1
91.05493	7.4
93.07053	11.6
95.04961	2.0
95.08619	13.2
97.06527	3.7
97.10188	1.1
98.98476	100.0
100.98893	3.6
103.37269	1.2
105.07054	7.9
106.18579	1.1
107.08612	16.4
109.06539	7.7
109.10168	6.7
111.08090	1.9
116.99536	1.6
117.07001	2.4
119.04930	1.1
119.08596	12.6
121.06524	1.5
121.10152	9.9
123.08084	20.5
123.11710	5.5
129.06982	1.4
130.95792	1.1
131.08565	4.8
131.11998	1.1
133.10144	12.0
135.11697	9.0
137.05978	4.4
137.09662	1.3
143.08549	2.5
145.10121	5.9
147.11693	7.2
149.05977	1.5
149.09550	1.8
149.13286	2.9
151.07559	1.8
151.11191	2.4
152.06197	1.5
153.06868	1.9
155.08568	2.0
157.06512	1.4
157.10149	4.4
159.11760	6.1
161.13281	5.0
163.14844	3.2
165.07034	1.4
165.12781	1.2
168.05598	1.1
169.10141	1.8
171.11736	2.4
173.13240	6.2
174.99237	4.2
175.14816	4.1
176.98952	9.0
177.06908	1.1
177.12749	3.9
179.14397	1.4
181.06563	2.5
182.07283	2.7
183.08083	1.3
185.13232	2.7
187.14848	3.5
189.09059	1.3
189.16371	2.0
191.14337	3.7
191.17909	1.6
196.05299	1.2
197.06047	2.6
197.13264	1.9
199.07457	1.6
199.14879	2.0
203.17918	2.6
203.33817	1.1
208.05167	2.3
209.05608	6.3
210.06790	3.6
211.07530	3.2
213.05524	1.5
215.17961	2.1
217.15944	4.9
226.06206	1.4
227.07018	1.9
228.07773	1.3
229.15854	1.5
231.17288	1.6
237.05333	1.9
238.06346	1.9
239.07126	1.4
239.18057	1.3
241.04874	2.1
241.19635	2.7
252.99673	1.4
255.06345	2.4
256.07269	2.7
257.08075	1.4
257.51712	1.2
265.19498	1.3
269.07907	1.4
270.05698	1.9
270.08310	5.3
271.09659	5.3
273.07437	2.0
295.24158	7.8
299.09241	3.6
301.07062	2.1
313.25259	14.4
316.08997	16.3
331.08188	1.5
331.11639	39.5
331.15298	1.5
331.26413	32.7
332.12323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2631
Annotation	7,10,13,16,19-Docosapentaenoic acid
Peak:m/z	Relative Intensity
53.03934	4.2
55.05501	7.1
66.73434	3.1
67.05495	14.8
69.07047	10.3
70.72406	7.2
79.05495	11.1
81.03418	3.9
81.07059	22.9
83.08609	5.7
91.05480	16.1
93.07045	32.1
94.94447	2.9
95.04972	7.1
95.08609	39.2
97.06522	7.1
98.98467	100.0
105.07029	29.7
107.08608	46.0
109.06522	19.8
109.10158	21.7
111.08087	7.4
117.07008	4.4
119.08577	39.8
121.06490	4.1
121.10136	27.8
123.08073	57.0
123.11700	12.4
129.06927	4.7
131.08557	10.3
133.07784	3.7
133.10130	25.8
135.08009	4.2
135.11710	34.0
137.09608	4.1
137.13197	3.4
143.08588	7.2
145.10118	18.6
146.60881	3.1
147.11697	11.9
149.13258	10.8
157.10115	12.1
159.11693	19.6
161.13235	11.3
163.11063	4.4
163.14804	8.8
169.10104	4.2
169.92873	3.1
171.11717	8.0
173.13234	14.9
175.14835	13.0
176.98938	7.1
177.16393	3.6
183.11757	6.5
185.13240	9.9
187.14795	16.4
189.16382	15.2
191.14288	9.3
195.11806	3.8
196.56676	3.0
197.06006	3.0
199.14812	7.5
201.16434	7.2
203.14262	9.1
203.17955	8.2
207.17496	5.9
211.14958	4.0
213.16383	7.5
215.23889	2.9
217.15881	44.5
225.16263	3.6
229.15926	21.3
239.18030	5.2
241.19518	5.2
280.21997	3.8
295.24207	25.2
313.25253	34.4
331.11746	4.2
331.22498	6.7
331.26361	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50245	1.7
52.18143	1.9
53.03934	2.3
55.01864	1.9
65.03939	2.9
67.44812	2.0
69.15449	19.5
77.73029	2.5
79.05489	5.6
79.13149	1.9
81.07075	3.6
91.05486	34.4
93.71869	1.7
94.04185	3.5
94.22070	1.9
94.71010	1.9
95.04980	7.0
97.32024	2.0
97.53909	1.9
98.98472	92.6
100.98917	2.3
103.05466	5.1
105.04565	2.2
105.07027	7.8
107.04990	9.4
109.06503	6.0
115.05460	3.4
119.04953	22.0
121.06493	4.5
122.03666	8.9
123.04488	2.0
123.08076	2.1
128.06238	6.2
129.07024	15.1
131.04938	6.6
135.08051	7.0
136.05197	5.3
137.05984	93.6
140.29079	1.9
145.06448	3.0
146.03682	2.3
146.07231	2.4
149.05991	13.3
149.09569	2.9
151.03922	5.8
151.07547	100.0
152.06187	4.3
153.07043	3.0
154.07730	3.0
157.06516	11.9
161.05946	15.8
161.09563	2.4
163.07567	21.9
165.06987	14.0
165.09151	5.2
166.07809	3.2
167.07236	4.3
167.08556	16.2
174.06735	4.9
174.99265	3.9
175.07552	3.5
176.98877	7.6
177.09111	2.8
178.07860	5.9
181.06531	7.1
182.07350	5.5
183.08113	2.1
189.09117	29.4
192.09418	2.8
193.06494	8.7
193.10164	7.9
194.07268	3.1
195.08086	30.1
197.06000	7.4
203.08539	3.7
207.08194	3.0
207.10138	4.7
210.06816	11.9
211.07497	4.4
212.08322	6.8
218.17546	2.1
221.06001	8.6
221.09561	10.4
223.07523	13.7
224.08318	2.9
225.09140	12.9
227.07048	6.0
227.10709	33.5
238.06226	5.4
239.07033	2.8
240.07877	3.2
249.09109	8.4
253.08647	14.9
253.12265	16.6
255.10146	35.4
267.10251	5.8
269.08044	5.6
271.09698	2.2
281.11758	6.6
284.10547	3.0
285.11200	26.8
287.12799	50.7
299.08939	2.6
313.14349	14.0
331.11752	13.8
331.15411	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	331.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63094	1.2
55.01855	1.5
55.17301	1.2
56.74411	1.3
65.03936	1.7
67.05501	2.3
70.55616	2.0
70.55966	2.6
74.64935	1.2
79.05475	1.7
81.07054	3.7
85.02908	2.4
91.04984	1.7
91.05489	18.3
94.04210	1.5
95.04958	2.9
95.08582	1.8
97.06525	1.8
98.98477	100.0
100.98869	2.4
103.05492	3.3
105.07021	4.2
107.04959	4.3
109.02893	1.8
109.06502	2.3
109.10194	7.9
115.05441	1.5
117.06996	1.6
119.04964	13.0
121.06509	4.1
122.03670	3.5
123.11737	2.9
128.06206	3.1
129.07040	10.2
131.04951	4.9
131.08649	1.6
133.06511	1.6
135.04587	1.3
135.08069	3.1
136.05183	2.6
137.05995	51.9
143.04871	1.3
145.06496	2.4
147.04350	1.5
149.06035	8.6
150.06720	1.3
151.04010	1.9
151.07558	53.5
151.11151	3.6
152.06233	2.5
153.07068	1.7
157.06491	7.3
160.05098	1.2
160.71713	1.2
161.05989	9.3
161.09669	1.2
163.07561	11.9
165.07043	9.0
165.09154	4.1
166.07739	2.2
167.07312	1.4
167.08583	9.2
169.12292	2.2
174.06770	4.0
174.99191	4.1
175.07527	2.8
176.98923	4.7
177.09108	1.8
178.07793	3.8
181.06494	4.5
181.08606	1.6
182.07317	2.8
183.08099	1.4
189.09103	19.2
191.08585	1.5
193.06494	5.7
193.10120	5.3
194.07291	2.6
195.02829	2.9
195.08102	12.9
197.05986	5.1
206.07339	1.5
207.08231	1.7
207.10178	3.9
209.06064	1.4
209.09523	2.0
210.06799	6.8
211.07552	4.9
212.08319	2.2
213.08997	1.3
221.05989	5.2
221.09628	7.2
223.07587	6.3
224.08264	2.4
225.05386	2.0
225.09032	6.6
227.07138	2.0
227.10660	13.8
237.09186	1.8
238.06221	3.9
240.07930	2.5
241.08537	1.6
249.09071	2.5
251.07202	1.5
253.08623	8.6
253.12308	10.5
255.10223	16.7
267.10150	2.7
269.08167	2.6
270.08807	2.3
272.10431	2.3
281.11758	3.4
285.11230	13.6
287.12814	24.9
313.03433	3.5
313.11157	1.7
313.14307	8.4
331.04465	4.2
331.11945	6.3
331.15277	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
67.05491	2.6
69.21324	18.6
74.68529	1.9
79.05494	3.6
81.07073	4.0
91.05498	35.7
94.04179	4.6
95.04976	7.2
98.20777	3.2
98.98476	87.8
100.98871	3.5
103.05485	5.9
105.07043	4.5
107.04961	9.2
109.06526	4.5
115.05463	3.0
117.07034	2.2
119.04960	23.7
121.06503	7.2
122.03614	8.0
123.08324	1.9
127.05531	1.9
128.06230	5.3
129.07004	13.2
130.72415	2.1
131.04929	7.5
133.06502	3.4
135.08081	6.3
136.05251	3.0
137.05992	88.0
145.06528	3.4
147.04370	2.8
148.46252	1.9
149.05994	13.3
150.06792	2.9
151.03915	2.8
151.07556	100.0
152.06252	6.2
153.06949	3.7
157.06497	11.5
161.05992	14.9
161.09596	3.6
162.05441	2.7
163.07567	23.9
164.07051	2.2
165.07028	10.8
165.09117	4.8
166.07808	4.9
167.08540	15.5
169.06493	3.1
174.06795	6.3
175.07549	4.8
176.98956	4.4
177.06985	2.7
177.09232	3.0
178.07797	7.8
179.08531	2.7
181.06552	3.5
182.07339	6.4
189.06654	4.0
189.09137	34.5
192.09314	2.4
193.06487	6.7
193.10153	7.2
194.07217	3.5
195.08064	30.4
197.05991	7.9
203.08304	3.5
207.10193	6.2
209.06036	2.7
209.09677	6.2
210.06694	11.7
211.07623	3.0
212.08408	4.0
215.08218	6.7
221.06090	11.0
221.09651	14.5
223.07564	9.5
224.08205	3.9
225.09053	10.3
227.10655	37.4
229.09694	6.2
237.09067	3.3
238.06224	5.9
240.07925	3.2
243.11351	4.6
249.09119	7.0
252.07718	2.3
253.08577	13.3
253.12299	14.5
255.06345	2.2
255.10182	29.4
257.09177	6.2
257.12875	4.4
267.10245	4.5
269.08087	5.3
271.10706	3.8
281.11810	6.2
285.11243	21.9
287.05429	2.8
287.12814	46.5
303.13348	2.8
313.11801	9.3
313.14456	9.6
315.05060	9.8
331.08170	15.6
331.12848	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	331.154
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
64.28389	3.3
65.64719	3.0
66.34943	3.0
70.51958	11.7
79.05513	3.8
79.26054	3.4
88.91409	3.3
91.05489	34.0
94.04198	3.8
95.04988	8.2
98.20681	3.9
98.98475	23.2
103.05470	6.8
105.07033	4.4
107.04960	6.3
109.06565	3.8
119.04949	23.6
121.06516	7.9
122.03632	8.1
128.06299	3.8
129.07008	21.2
131.04935	9.2
135.08046	7.7
136.05176	5.0
137.05984	100.0
145.06525	4.9
149.05989	16.7
151.04016	7.4
151.07555	97.2
152.06219	6.7
157.06499	16.3
161.06006	20.0
163.07535	26.7
165.07021	13.8
165.09114	7.2
166.07791	4.8
167.07216	3.6
167.08583	17.2
174.06772	6.0
175.07480	5.3
177.09290	4.6
178.07750	7.4
181.06500	5.5
189.09129	41.6
193.06540	10.2
193.10139	13.2
194.07219	7.3
195.08099	29.7
196.08893	4.6
197.05960	9.2
202.07864	4.3
207.10170	5.1
209.09653	6.6
210.06763	14.9
211.07526	4.0
212.08351	8.1
221.06079	8.6
221.09590	12.0
223.07567	13.4
224.08301	7.6
225.09123	14.3
227.10660	29.7
237.08948	7.3
238.06297	8.7
239.10803	4.3
241.08734	3.7
249.09065	9.9
253.08757	21.2
253.12190	24.4
255.06693	3.4
255.07698	3.6
255.10211	29.6
267.10199	7.4
268.37302	4.1
269.08127	7.5
281.11823	9.4
285.11295	28.1
287.12845	51.5
313.14371	15.9
331.11682	4.8
331.15457	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
54.19946	1.8
55.01878	2.0
57.36788	1.4
69.72256	5.3
69.72684	6.0
72.31486	1.8
79.05492	4.0
81.07034	2.7
91.05488	34.4
94.04166	2.7
95.04981	4.9
98.98476	48.2
103.05468	5.5
105.07049	3.9
107.04943	6.8
108.04499	2.2
109.06492	3.6
111.04436	2.1
115.05423	3.8
119.04939	20.4
121.06500	7.3
122.03664	9.6
122.06040	1.8
123.04482	2.3
128.06250	4.2
129.07007	17.0
130.09431	1.9
131.04909	7.5
135.08041	6.7
136.05199	4.9
137.05988	83.4
149.06032	13.3
151.04002	2.6
151.07553	100.0
152.06209	4.1
154.32266	2.0
157.06528	9.8
161.05997	16.8
161.09630	3.0
162.05524	3.7
163.07550	20.8
165.07036	16.4
165.09129	7.5
166.07791	2.2
167.08533	16.3
169.06500	3.2
170.09679	2.1
174.06766	7.6
175.07545	4.5
176.99010	2.6
177.06969	3.1
177.09047	4.5
178.07768	6.7
179.08566	2.7
181.06448	3.7
182.07246	2.7
187.08670	2.8
189.06601	3.8
189.09100	35.6
193.06525	5.9
193.10078	9.7
194.07289	2.5
195.08076	30.8
196.08757	2.6
197.05977	6.7
197.09656	3.1
201.10172	4.9
203.08417	4.3
207.10107	4.7
209.05971	2.2
209.09708	3.0
210.06784	9.7
211.07446	3.6
212.08397	4.5
215.08162	7.6
215.11888	2.9
221.05952	7.8
221.09634	11.2
223.07494	13.3
224.08308	4.1
225.05621	3.5
225.09074	11.2
227.07147	2.2
227.10672	33.4
229.09752	8.3
229.13469	2.8
238.06213	6.3
240.07909	2.6
241.08315	2.0
249.09097	7.7
252.07695	1.9
253.08635	18.3
253.12218	17.4
255.10118	34.9
257.09189	5.8
257.12863	4.6
267.10352	7.6
269.08289	3.3
269.11783	2.6
271.10571	5.4
272.10544	4.2
281.11746	7.0
285.11206	19.1
287.12823	52.2
295.10587	4.3
301.14767	3.2
303.13419	2.8
313.11212	9.3
313.14462	7.0
331.12851	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81529	2.4
69.03035	3.4
69.03403	2.4
69.36195	21.6
75.11800	3.0
79.05460	4.7
91.05488	32.0
95.04961	4.6
96.56010	3.0
98.98483	39.5
103.05480	10.6
105.07043	8.5
107.04957	26.1
109.06534	5.9
115.05482	4.6
119.04963	23.9
121.06531	12.6
122.03629	6.9
128.06192	5.0
129.06998	18.8
131.04924	6.7
131.08601	3.3
133.02866	4.5
133.06554	4.6
135.08032	8.3
136.05280	3.1
137.05994	90.0
145.06531	3.5
146.07286	4.0
149.06021	16.2
150.06705	3.9
151.07567	100.0
157.06523	15.5
161.06004	52.7
161.09625	12.2
163.07558	32.5
165.07021	19.6
165.09103	4.2
166.07843	4.6
167.08571	19.2
174.06761	10.5
175.07613	6.0
177.07036	3.1
177.09103	4.3
178.07748	8.0
179.08618	3.2
181.06538	3.0
181.08669	6.3
182.07338	4.5
189.09132	49.9
193.06480	7.0
193.10091	7.4
195.08058	27.1
197.05995	5.2
207.10144	22.7
209.06056	3.5
209.09692	3.9
210.06734	9.4
211.07619	4.2
212.08319	6.4
221.05951	9.4
221.09579	11.2
223.07576	13.9
225.09093	15.9
227.10695	28.8
238.06305	5.5
240.07687	4.7
249.09119	5.6
253.08592	17.7
253.12280	21.1
255.10179	33.2
267.10281	6.1
269.08255	3.8
269.11603	3.0
272.10489	5.4
281.11673	7.6
285.11243	23.6
287.12842	44.3
291.08066	3.0
313.14395	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.59864	1.7
55.01889	2.1
65.03960	1.7
71.01035	4.6
79.05503	3.4
80.37554	1.9
91.05485	34.9
94.04182	3.0
95.04986	8.6
98.98474	16.3
101.68570	1.7
103.05460	6.4
105.07026	8.0
107.04996	10.2
109.06529	5.8
117.07052	2.5
119.04945	20.7
121.06502	6.4
122.03658	8.1
128.06221	7.8
129.07016	15.5
131.04913	5.9
133.06473	2.2
135.08083	5.9
136.05173	2.3
137.05984	80.3
145.06458	4.0
147.04430	3.0
149.06012	12.1
151.03944	2.7
151.07553	100.0
152.06189	3.0
153.07036	1.9
157.06494	13.2
161.06012	18.5
161.09650	5.2
163.07558	28.0
165.07001	10.6
165.09085	4.3
166.07825	4.5
167.08569	17.8
174.06767	8.9
175.07585	5.7
177.07100	2.5
177.09132	3.1
178.07770	7.4
179.08545	3.0
180.48999	1.9
181.06494	4.1
182.07324	5.0
183.04610	1.9
187.07567	2.8
189.09111	37.0
192.09447	2.9
193.06534	8.2
193.10156	7.1
194.07343	2.3
195.08073	29.5
197.06021	7.9
203.08530	2.4
207.08188	2.8
207.10211	8.9
209.06079	3.3
209.09648	4.8
210.06770	9.8
211.07529	3.6
212.08278	4.4
220.08749	2.7
221.06009	8.0
221.09587	11.5
223.07516	12.0
224.08337	2.9
225.05533	2.9
225.09099	9.7
227.07103	3.0
227.10634	27.3
235.07530	2.2
237.09050	2.9
238.06325	7.6
238.09842	2.2
239.07188	2.8
240.07806	3.5
241.12071	2.4
249.09106	7.4
252.08000	2.0
253.08536	13.8
253.12234	18.4
255.10173	28.9
267.10217	6.3
269.08078	4.1
269.11670	3.0
272.10510	3.8
281.11703	8.1
285.11313	23.2
287.12820	36.9
292.70639	2.0
296.44083	1.9
299.12906	2.5
313.14322	12.4
331.15457	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	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00177	1.3
55.01865	2.1
65.03940	2.3
67.05505	1.7
69.03448	1.8
69.67214	1.6
69.88946	7.9
79.05490	4.7
79.69901	1.6
81.03413	1.8
81.07056	3.5
85.02871	2.3
91.05492	23.7
93.22921	1.5
94.04184	2.4
95.04966	4.6
97.30508	1.5
98.20712	1.9
98.98472	100.0
100.98946	1.5
103.05489	2.6
105.07036	5.8
107.04957	6.4
107.08585	4.7
109.02837	3.2
109.06508	3.7
109.10144	1.9
115.05441	3.9
116.99535	1.9
119.04938	15.8
121.06528	7.3
122.03671	6.7
123.04442	2.1
128.06238	2.5
129.06995	12.8
131.04927	5.4
131.55345	1.5
133.06540	1.8
133.10095	2.6
135.04422	1.7
135.08086	4.3
136.05206	4.3
137.05984	62.2
145.06508	3.2
146.07288	1.5
147.04453	2.6
149.05986	12.5
151.03900	4.3
151.07550	73.4
151.11095	2.0
152.06212	3.1
153.06934	2.7
157.06465	10.7
161.06003	17.2
161.09613	3.3
162.06853	1.5
163.07549	21.4
165.07018	9.9
165.09081	2.5
166.07756	2.5
167.08565	15.2
174.06781	5.7
174.99249	3.0
175.07430	2.1
176.98869	8.1
177.06908	2.5
177.09175	1.4
178.07817	4.5
179.03419	20.5
181.06458	5.9
182.07329	3.5
189.09096	28.5
192.09456	2.2
193.06528	4.7
193.10133	6.7
194.07188	1.8
195.08069	21.2
196.08839	3.6
197.06042	5.3
203.08583	2.2
207.08246	2.1
207.10185	5.1
209.09596	2.8
210.06766	5.5
211.07620	1.9
212.08417	3.6
221.05966	5.7
221.09679	10.7
223.07590	9.9
224.08363	4.5
225.05521	2.4
225.09093	8.4
227.07182	2.3
227.10693	24.5
237.05510	2.4
237.09213	3.1
238.06271	5.3
239.10713	1.8
240.07909	2.8
249.09187	6.6
253.08603	11.7
253.12189	10.9
255.10217	26.8
267.10217	6.5
269.08014	4.7
269.11655	2.0
271.09799	2.2
272.10471	2.7
281.11838	7.8
285.11270	11.3
287.12811	34.0
298.12280	1.7
299.12515	2.0
313.14249	5.8
331.04575	1.7
331.11798	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1179
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
55.01871	1.5
57.03434	1.0
62.03477	0.8
65.03938	1.3
67.05520	1.2
68.02655	1.0
69.03429	1.2
69.18275	8.5
79.05499	1.8
81.07047	2.1
91.05479	3.1
93.03375	1.2
95.04971	1.2
96.02105	1.5
98.21527	2.0
98.98476	100.0
100.98875	2.3
103.05467	1.1
105.07009	2.0
107.04967	1.4
109.02876	1.5
111.04456	7.0
112.04896	0.9
115.05463	1.5
117.06990	1.3
119.04921	1.9
119.08578	1.1
123.04398	1.3
123.18324	0.9
128.06195	1.5
129.07011	1.8
137.05962	6.1
139.03920	3.6
141.06973	4.2
145.06490	2.8
146.07295	1.1
147.04439	1.3
149.06009	1.4
151.07561	6.0
152.06189	1.7
153.06981	2.6
154.07759	1.0
155.08614	1.1
157.06487	3.0
158.07289	1.6
161.05956	1.9
163.07449	1.1
165.07011	3.5
166.07768	0.9
167.03372	2.0
167.08617	1.8
168.05692	3.8
169.06464	3.6
169.10091	1.5
171.08003	1.2
173.06006	2.1
174.06761	1.4
174.99222	4.5
176.98936	6.9
178.07794	2.5
179.08559	4.2
181.06467	4.1
182.07272	1.3
183.08069	3.4
184.05214	1.9
185.06024	5.6
186.06740	3.1
189.09027	2.0
195.08066	2.4
196.05205	1.6
196.08836	1.3
197.05954	7.3
197.09677	3.1
199.07492	1.7
207.08078	3.1
209.05949	2.6
210.06754	2.8
211.07547	5.4
212.04733	1.3
213.05476	1.7
214.06213	3.6
221.09676	1.2
223.07588	1.5
224.08316	3.3
225.05539	7.2
225.09094	7.9
226.06215	2.4
227.07071	9.5
227.10591	1.4
229.04938	3.4
235.07529	2.9
237.05452	1.2
238.06253	2.6
239.07045	2.9
239.10713	2.6
241.04921	1.7
242.05771	2.6
252.07861	2.0
252.99846	1.1
253.05035	2.9
253.08617	13.9
254.05724	4.9
255.06541	12.2
255.10164	2.4
256.07294	1.7
257.08066	2.2
257.11758	1.1
267.10092	2.1
270.08914	3.1
271.09695	4.4
272.06851	2.6
281.08124	7.3
282.08853	1.5
285.07574	30.7
285.11188	9.3
287.12805	2.8
299.09146	18.5
313.10825	15.9
324.06949	0.9
331.07263	3.8
331.11758	22.3
331.15573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1179
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
55.01866	2.0
55.55541	1.1
56.05423	1.0
65.03934	3.1
69.54981	7.3
71.05010	1.4
77.95168	1.2
79.05477	2.3
81.07053	2.0
85.02915	1.4
91.05486	7.4
95.04967	2.4
96.02106	2.3
97.06541	3.5
98.20763	2.0
98.98473	100.0
100.98908	1.9
103.05470	1.2
104.65714	1.4
105.07044	2.1
107.01323	1.7
107.04940	3.1
109.02856	1.3
109.10249	1.2
111.04447	9.0
115.05469	2.5
116.52335	1.2
117.06973	1.5
119.04926	5.8
121.06487	1.9
121.23624	1.4
122.03667	1.7
122.38872	1.2
123.04443	2.2
127.57046	1.2
128.06226	2.6
129.06993	4.9
131.04950	2.0
134.03630	1.3
136.05286	1.2
137.05992	18.6
139.03920	3.0
141.06998	5.0
145.06468	3.7
147.04414	2.7
147.08041	1.4
149.05977	3.0
151.07553	18.2
151.11203	1.1
152.06212	1.5
153.05573	1.8
153.06976	4.9
154.07748	2.3
155.08546	2.3
157.06506	4.4
161.06055	6.5
163.07570	4.1
165.06984	6.5
165.09093	1.6
167.03394	2.8
167.08559	5.3
168.05623	2.5
169.06519	5.8
169.10072	1.4
171.04382	2.5
171.07938	1.3
173.06006	3.2
174.06807	3.0
174.99240	3.2
175.07571	1.9
176.98958	7.7
177.09180	1.5
178.07796	4.2
179.08545	4.8
181.06522	4.3
182.07303	3.5
183.08037	2.9
184.05193	2.0
185.05930	7.0
186.06802	2.8
189.09081	7.2
193.06418	1.9
193.10104	1.7
195.05583	2.0
195.08102	6.2
195.13803	1.8
196.05302	3.7
196.08868	1.6
197.05988	9.9
197.09653	4.2
198.06793	1.2
203.08549	1.3
207.08098	3.8
209.05887	2.5
210.06746	4.0
211.07449	8.2
212.08363	1.4
213.05399	1.7
213.09065	1.4
214.06313	5.5
221.06024	3.4
221.09601	2.7
223.07545	4.4
224.08284	5.4
225.05417	10.5
225.09023	13.9
226.06226	4.7
227.07039	10.5
227.10643	5.4
228.07724	1.4
229.04996	7.4
235.07547	5.0
237.05467	1.6
238.06276	3.7
239.07054	6.9
239.10677	2.6
240.07671	2.0
241.04916	2.6
241.08711	1.2
242.05806	4.6
249.09154	2.5
252.07913	1.8
253.04939	3.3
253.08611	20.4
253.12323	3.2
254.05780	7.0
255.06531	17.3
255.10133	9.4
257.04611	1.6
257.08124	3.1
257.11792	1.5
263.07089	1.8
267.06769	1.6
267.10178	4.5
269.08026	2.9
270.05231	3.7
270.08752	5.0
271.07047	2.4
271.09702	5.7
272.06793	3.8
281.08127	12.7
281.11276	1.5
282.08829	2.1
285.07623	42.8
285.11206	11.2
287.12814	7.0
295.10010	1.4
299.09137	20.6
300.09653	1.2
313.07870	4.5
313.10736	24.9
313.14334	2.2
316.09036	3.4
331.11923	29.3
331.15408	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
55.08298	0.6
57.07081	2.4
60.04530	14.7
67.05509	3.8
69.07066	2.2
70.88880	1.1
71.08633	1.6
74.02447	100.0
79.05511	0.6
81.07063	4.1
83.08642	2.2
83.32179	0.5
91.05449	0.6
94.22124	0.5
95.08620	4.6
97.10168	1.0
98.98474	21.4
105.07059	0.7
109.10146	2.5
176.98958	0.9
197.09810	0.6
257.24756	4.8
268.26462	1.9
330.26425	5.4
330.33820	1.9
345.94214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	10.8
55.05525	4.8
55.05749	1.1
57.03431	1.8
63.54056	0.8
64.80098	0.7
65.03944	1.3
67.05506	13.9
69.03430	1.4
69.07074	7.1
71.04984	2.3
73.02904	1.3
79.05499	10.2
81.07060	43.0
83.01348	1.5
83.04984	2.4
83.08624	3.8
85.02894	1.1
85.06548	2.1
91.05486	12.3
93.07042	8.3
94.72440	0.8
95.04971	2.4
95.08613	11.1
97.06526	5.1
98.21558	1.4
98.98470	100.0
99.08084	2.4
101.02380	5.1
105.07031	19.0
107.04951	1.0
107.08614	5.3
109.06515	3.5
113.06021	1.8
115.05393	1.0
116.99469	1.0
119.08588	14.4
121.10142	11.3
123.08102	2.6
123.11714	10.0
127.07539	0.9
129.07022	2.3
131.08572	1.8
133.10156	2.9
137.05972	3.1
137.13257	1.9
139.86359	0.8
142.08601	1.1
145.10040	0.9
147.11700	40.4
149.09644	1.6
155.03384	1.5
157.10159	6.4
161.06047	0.9
165.12761	20.4
173.04517	2.1
174.99249	6.8
175.11185	8.2
176.98935	3.3
182.67120	0.8
188.03398	3.2
193.12279	8.1
206.04424	1.6
207.84572	0.9
229.14311	4.8
250.99879	0.8
252.99896	1.0
265.14362	1.3
283.15363	8.4
293.13882	1.1
311.14902	9.8
315.08582	1.3
329.06534	2.8
329.16348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.3
57.03443	0.9
57.07077	0.8
59.97738	0.7
67.05521	8.1
69.07060	2.3
70.63013	1.6
70.63374	1.8
71.04985	0.9
72.24032	0.7
79.05498	6.3
81.03410	1.0
81.07077	4.1
83.04971	0.9
83.08627	1.4
91.05485	4.2
93.07044	4.6
95.05000	2.2
95.08623	4.6
97.10155	1.5
98.98476	100.0
99.98921	0.8
105.07040	3.5
107.08588	3.6
109.10171	4.4
116.99546	1.5
117.07021	1.4
119.08585	3.1
121.10154	2.8
123.80181	0.9
125.09649	1.0
129.44049	1.0
131.08551	1.0
133.10143	1.8
137.09648	1.2
145.10054	1.4
147.11636	1.4
155.10750	1.0
171.11726	1.0
172.13460	1.5
173.11745	1.9
173.13210	1.4
174.99245	6.6
175.99612	1.4
176.98944	2.0
275.20081	1.7
328.08740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.4
57.07065	3.1
60.04267	1.0
60.04530	11.7
63.56739	0.6
67.05511	9.4
69.07073	5.1
70.02950	3.3
71.08641	1.8
71.50550	1.6
74.02444	91.9
79.05501	6.1
81.07061	11.8
83.08628	3.4
91.05489	2.4
93.07049	6.6
95.08620	6.9
97.06546	2.6
97.10163	2.0
98.98471	100.0
99.47728	0.7
105.07047	1.4
107.08590	5.8
108.03915	0.7
108.08099	0.8
109.10190	3.4
111.08060	1.8
111.11724	0.8
114.44673	0.7
116.99475	0.9
119.08605	1.4
121.10151	11.3
123.11684	3.7
126.71501	0.7
135.11705	8.1
137.13287	2.0
141.12779	0.9
149.13263	2.6
155.14365	0.7
163.14813	0.8
174.99261	7.8
175.99643	1.1
176.98949	2.9
205.19533	2.4
219.21086	5.6
223.20737	0.8
237.22188	2.5
246.22176	2.0
247.20605	0.9
248.23843	1.2
252.99811	1.0
255.23232	1.3
264.23193	1.1
265.53824	0.7
266.24850	5.1
278.00760	0.8
282.24301	2.8
292.22681	3.3
310.23660	1.3
320.15997	0.8
328.08829	1.2
328.24591	5.6
328.32227	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84283	1.2
55.01873	2.2
55.05516	14.8
56.96565	2.2
61.64554	0.9
67.05495	4.2
69.07084	5.7
69.28333	11.0
78.16058	1.0
79.05502	7.5
81.07058	6.3
83.05002	1.7
83.08626	8.9
91.05493	3.9
93.07066	2.8
95.08603	2.0
97.10172	21.8
98.98477	100.0
99.28185	1.4
103.52676	1.1
105.07034	4.5
107.07893	1.5
107.08611	24.0
113.30051	1.2
119.08582	2.2
125.09642	14.1
131.08534	1.6
133.10147	2.1
135.08017	1.8
145.10144	2.1
147.11774	1.6
171.10187	5.3
174.99257	6.8
176.98982	2.4
179.94376	1.2
189.11232	25.8
207.09955	1.3
239.17894	1.2
252.79256	1.1
257.19067	2.2
275.20068	19.4
276.92651	1.3
293.20953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.05004	13.5
69.98440	5.1
73.06560	33.0
83.03398	1.1
85.02896	3.7
86.09718	1.2
91.05459	1.3
98.98473	100.0
99.17984	1.0
116.99470	1.7
117.09150	3.9
122.05304	0.9
131.10699	2.9
135.47899	1.1
141.44850	1.0
148.07582	3.2
149.11736	18.3
166.08647	1.9
170.26706	1.1
174.99222	7.1
176.98930	2.8
190.08624	6.0
328.07956	1.0
328.15671	5.8
348.12537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.0
53.03949	11.3
55.05509	6.9
57.07062	2.7
64.47850	1.7
65.03905	1.7
67.05511	14.9
69.07062	7.6
70.12417	4.9
77.03942	3.1
79.05499	11.5
79.51785	1.5
81.03429	2.4
81.07080	15.4
83.04993	1.6
83.08636	3.3
91.05488	19.5
92.77579	1.7
93.06491	3.0
93.07047	32.1
95.04972	42.4
95.08621	26.4
97.06532	6.2
98.98476	100.0
102.91401	1.7
105.04539	4.0
105.07039	29.3
107.08610	17.4
109.06519	4.0
109.10168	10.4
117.07006	8.2
119.05988	1.8
119.08595	29.2
121.06528	5.8
121.10164	16.8
123.08075	5.4
123.11705	1.9
128.06264	2.2
129.07016	4.1
130.07822	2.2
131.08575	15.1
133.06511	1.8
133.10138	21.4
135.08054	7.0
135.11684	8.3
137.09642	3.5
141.06915	1.8
142.07816	5.6
143.08559	6.4
144.09375	4.2
145.10168	15.9
147.11697	6.8
149.13329	3.1
152.06252	20.4
153.06992	13.0
155.08604	2.8
156.09322	5.2
157.10139	20.1
159.08081	3.1
159.11734	18.7
161.09641	6.4
161.13358	2.4
167.08572	2.3
168.05719	5.5
169.10152	7.1
170.10916	2.8
171.11671	11.4
172.51663	1.8
173.13275	6.3
174.99207	10.3
175.11235	2.1
175.14792	12.4
181.10179	3.3
182.10973	1.9
183.11690	5.7
185.13219	3.2
187.11182	3.5
187.14816	6.7
189.16454	2.4
195.11655	3.1
197.13242	6.2
199.14859	5.3
209.13304	5.2
211.14864	3.9
213.16293	2.6
215.02644	5.5
225.16432	2.5
228.09419	5.2
229.10240	2.4
233.03648	17.8
235.14815	4.5
251.04715	7.4
300.22516	1.8
309.22205	4.0
310.15625	1.8
327.07855	55.5
327.23230	22.9
327.26746	2.8
328.08234	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	327.1229
Annotation	Egonol
Peak:m/z	Relative Intensity
55.01855	1.5
55.05516	1.6
57.03435	1.1
65.03942	1.6
67.05502	2.0
68.27290	0.7
69.07049	3.7
69.55888	4.7
79.05472	1.7
81.07063	1.9
91.05486	6.0
93.07050	1.5
94.04191	1.3
95.04926	1.4
95.08580	2.5
96.76575	0.9
98.21439	1.6
98.98476	100.0
103.05462	2.2
105.07062	0.9
107.04929	2.6
107.08582	1.5
109.06522	2.1
109.10140	1.6
115.05453	3.3
116.99532	1.4
119.04929	2.2
119.08575	1.7
120.05782	0.9
121.10159	1.4
122.03660	5.5
131.04930	2.2
133.02847	3.8
137.05994	58.4
143.04906	4.2
146.03697	1.3
147.04411	1.0
149.06000	1.8
151.03934	13.5
151.05057	2.0
151.07529	0.9
159.08202	0.9
160.05246	1.0
161.05981	3.3
163.07512	0.9
165.05531	1.9
165.06941	1.1
174.99255	10.8
175.07550	6.6
177.05472	2.4
178.07797	2.4
179.08571	3.1
181.06383	1.1
189.07005	6.2
191.06989	2.5
193.06664	1.0
195.08047	1.7
197.05994	1.6
203.07076	2.2
205.06587	1.6
206.07303	7.6
207.08073	5.5
209.06052	0.9
209.09698	0.9
211.07593	2.0
217.06497	3.6
218.07251	2.6
219.07994	0.9
221.06036	1.1
221.09589	2.4
223.07578	2.6
224.08360	2.7
225.09074	1.8
234.06763	16.7
235.07536	5.9
237.09259	1.7
239.06996	1.1
239.10760	2.4
240.07924	5.2
241.08611	2.0
245.06000	1.6
249.09120	20.0
250.09628	1.0
251.00041	1.8
251.07150	1.9
252.07843	1.8
253.08627	2.4
262.06308	5.6
263.07086	2.6
265.08676	3.3
266.09360	1.9
267.06589	0.7
267.10165	5.0
268.07315	4.1
269.08176	2.4
270.08362	0.9
271.09824	1.3
271.83527	0.8
277.08627	40.8
278.09399	2.6
279.06512	0.9
281.08041	1.2
281.11758	1.9
283.09689	9.7
284.10413	1.8
285.11108	1.1
291.19751	0.9
294.08951	1.8
294.12195	0.8
295.09659	5.9
295.89212	0.9
297.11240	2.5
299.12802	8.8
306.66043	0.9
309.11258	9.7
312.09891	1.0
327.12280	34.4
327.22964	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1229
Annotation	Egonol
Peak:m/z	Relative Intensity
52.06580	0.7
52.51662	0.8
54.05387	0.7
54.45909	0.9
55.01870	1.0
60.02187	0.8
65.03938	1.7
67.05477	1.0
69.03410	1.0
70.05185	1.3
70.05577	2.2
79.05481	1.7
81.07024	1.1
91.05492	6.5
93.07032	1.6
94.04214	1.2
95.04966	1.0
95.08598	1.4
98.69812	0.8
98.98475	100.0
103.05454	2.0
107.04934	2.6
109.06510	1.5
115.05451	3.5
116.99545	1.0
119.04921	3.4
121.06508	1.4
122.03668	5.2
131.04912	0.8
133.02864	3.3
135.04405	1.2
137.05988	62.4
143.04906	4.8
145.02924	0.9
149.05974	2.3
151.03935	14.3
151.05052	1.0
159.08093	1.2
160.05118	1.6
161.06006	2.1
163.03909	0.8
163.07526	2.2
165.05464	2.3
165.06970	2.3
174.99257	12.4
175.07603	6.2
177.05432	3.2
177.06847	1.0
178.07793	3.5
179.08546	2.3
181.06523	1.6
189.07021	6.1
191.07024	3.4
191.08632	1.0
195.08018	2.8
203.07008	3.4
205.06520	3.1
206.07274	8.8
207.08022	4.4
209.06012	1.1
209.09688	1.0
211.07614	2.0
217.06407	4.2
218.07341	2.0
219.08115	0.9
221.06058	1.5
221.09663	1.6
222.06790	1.3
223.07509	3.9
223.72180	0.9
224.08305	1.8
225.09050	1.5
227.06950	1.0
233.05983	1.1
234.04680	1.4
234.06776	17.8
235.07593	4.4
236.08347	1.3
237.09157	3.0
239.10661	2.5
240.07854	5.8
241.08617	0.9
245.06055	1.2
246.06694	1.6
246.83632	0.8
249.09145	23.5
251.00082	1.7
251.07077	3.4
252.07784	1.5
253.05202	1.0
253.08638	2.6
254.09557	1.0
255.06818	1.0
262.06320	6.5
263.07053	3.5
265.08728	3.8
266.05756	0.9
266.09454	1.9
267.10287	6.3
268.07382	5.6
269.08038	1.5
269.11600	1.0
271.09598	1.5
277.08621	48.7
278.09238	3.4
279.06400	1.5
281.08075	1.0
281.11728	2.0
283.09698	15.5
294.08859	2.0
295.09799	4.8
296.10468	1.7
297.11063	3.8
299.12759	12.6
309.11206	15.5
309.99820	0.9
327.12268	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	326.2326
Annotation	Tumonoic acid E
Peak:m/z	Relative Intensity
53.03950	1.0
54.34425	0.7
55.05529	1.6
57.07072	1.9
67.05505	4.2
69.07075	10.9
69.97239	3.8
70.44619	0.7
74.02434	0.8
79.05496	20.0
81.07059	12.6
83.04974	1.4
86.09714	100.0
91.05493	6.5
93.07050	34.7
95.04945	1.3
95.08607	9.8
97.06514	2.3
98.21468	1.1
98.98474	29.9
105.07039	3.4
107.08604	17.4
109.06551	2.0
109.10135	1.4
113.93825	0.8
116.75782	0.8
117.07011	2.1
119.08589	1.8
121.10165	4.0
125.06065	0.9
128.10767	3.1
131.08595	2.4
132.10214	54.8
133.10121	4.7
135.08136	1.8
135.11700	19.2
136.17717	0.8
136.67636	0.8
149.13271	18.4
151.14857	2.9
153.12733	1.9
159.11728	2.1
164.04286	1.3
174.99278	2.5
177.12772	11.0
192.13959	1.1
195.13832	1.5
208.16890	1.8
238.14462	1.3
246.24559	0.9
254.17488	5.7
254.19775	0.8
262.21689	18.2
280.22659	2.0
290.21118	1.5
308.22229	28.3
310.02762	0.8
326.22925	4.4
343.85739	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
56.96300	1.2
56.96566	12.3
57.03432	2.7
60.14557	0.6
60.95839	0.9
61.02912	1.6
64.58633	0.6
69.03432	4.4
69.74338	1.5
69.74752	2.7
70.02940	2.0
70.06596	0.8
70.98114	2.0
73.02912	2.9
81.03409	1.7
84.96042	0.7
85.02914	5.8
86.09702	2.4
91.05462	2.0
95.05010	0.8
97.02910	3.6
98.21520	1.1
98.97594	21.4
98.98461	100.0
99.04469	1.1
101.00869	4.9
102.96858	1.8
109.02881	1.1
110.97598	1.8
111.04462	0.9
112.99156	1.1
113.00887	5.1
113.03499	2.0
114.95589	1.9
115.02451	0.8
116.98650	7.7
116.99487	1.2
119.01917	8.2
119.04983	1.8
119.06049	0.8
120.37547	1.0
126.06299	0.7
127.03878	1.7
128.98613	2.0
130.93286	1.1
131.01913	7.6
132.10150	1.1
132.96613	2.3
133.04926	0.8
134.99663	1.3
136.38954	0.8
137.02960	1.1
137.06023	1.8
139.02495	0.9
140.87697	0.8
143.00148	1.3
143.01884	2.5
145.03413	1.0
145.05026	0.9
145.07603	2.3
146.98270	0.7
146.99631	1.4
147.04424	2.9
150.81096	0.7
153.01561	2.6
155.00157	1.1
155.01884	5.1
156.96568	2.8
157.03488	2.8
158.98158	3.2
158.99486	1.3
161.03009	3.4
163.08656	1.2
164.07072	2.4
165.53224	0.9
167.01923	1.0
170.99632	1.2
171.02502	12.4
172.94362	4.8
173.01501	1.4
173.02953	6.0
173.04274	0.8
173.04900	0.6
174.97641	6.8
174.99216	11.1
175.04518	1.3
177.00711	1.4
180.98022	1.3
180.99915	0.9
181.06033	1.1
185.02979	6.0
185.98924	0.8
186.04395	1.2
187.04506	1.0
188.99205	6.4
189.03589	19.1
190.95407	2.2
192.98695	3.7
193.00299	1.0
193.07191	1.3
194.99861	0.9
195.02486	2.2
198.99139	3.0
200.99211	0.9
205.00375	0.8
207.00264	6.2
207.02460	2.2
208.04980	2.8
213.03568	20.4
214.03925	1.1
214.95415	5.2
215.04028	2.1
216.98546	5.0
217.00423	3.6
217.05508	2.6
219.01962	1.8
224.52507	0.8
225.03642	8.0
227.02065	0.7
227.05219	1.5
231.04649	9.2
232.96445	11.5
233.05113	5.1
234.99786	3.2
235.03073	0.8
237.03569	2.4
243.04662	2.0
248.99023	1.3
250.97504	4.4
250.99947	1.3
255.02126	1.0
255.04721	4.1
256.98193	1.1
260.99362	0.8
274.99240	4.1
284.97650	3.3
285.05560	1.2
293.00275	1.2
302.98444	5.0
303.01678	1.1
303.06674	1.2
320.99686	2.1
326.98517	0.9
327.06696	18.3
327.12341	2.6
327.15048	1.8
328.03729	2.4
345.00098	1.1
345.13403	1.3
346.04767	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	326.2327
Annotation	10-Nitrolinoleic acid
Peak:m/z	Relative Intensity
55.01855	0.8
55.05509	1.8
56.96564	1.2
57.07084	1.8
66.97643	0.6
67.05508	6.0
69.03423	1.2
69.07077	8.3
71.50475	1.0
79.05495	11.2
80.36164	0.6
81.03407	0.6
81.07058	8.4
83.04993	6.4
83.08619	0.9
86.09711	100.0
86.24638	0.7
91.05489	8.6
93.07050	16.3
95.04958	2.2
95.08622	5.0
97.06544	2.9
98.98473	67.7
105.07034	5.9
107.04972	1.2
107.08601	10.6
109.06534	2.1
109.10188	1.3
111.08092	1.2
116.99524	1.0
117.07030	3.3
119.08583	3.0
121.06548	1.9
121.10151	3.0
123.08102	1.9
123.11717	0.7
128.10735	5.2
131.08546	4.9
132.10214	51.5
133.10139	11.2
135.08015	1.1
135.11697	11.8
137.05937	0.7
149.13251	6.7
151.11182	4.3
151.14885	1.8
153.12764	4.5
156.10255	1.4
159.11662	4.7
163.03871	0.8
164.04291	2.1
174.99278	7.6
177.12741	9.3
195.13911	2.1
226.51183	0.6
251.00098	1.2
262.21698	8.0
280.22766	6.2
308.22186	9.8
326.23178	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	325.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72840	3.8
53.03939	12.2
55.01875	24.9
55.05515	40.9
56.96554	6.3
57.03423	13.8
58.02989	3.9
58.46633	3.5
59.04986	6.4
65.03925	7.6
67.05507	79.1
69.03439	28.5
69.07066	28.4
71.04981	18.0
71.08868	8.4
75.26048	3.4
79.05501	88.0
80.43626	3.5
81.03407	17.6
81.07058	94.0
82.04195	8.5
83.04994	19.5
83.08608	15.5
85.02902	5.8
85.06561	6.4
87.27583	4.2
91.05489	73.9
91.24687	4.0
93.07050	63.1
94.04172	6.8
95.04969	49.2
95.08612	49.7
97.02921	3.7
97.06539	29.0
97.10162	13.5
97.99177	4.8
99.04465	7.4
99.08070	8.4
103.05471	4.3
105.04525	5.2
105.07032	62.8
107.04958	58.3
107.08610	44.7
108.05748	5.3
109.02887	5.1
109.06529	41.2
109.10188	20.8
111.08083	7.3
113.05978	4.9
117.07036	29.8
119.08588	51.1
121.06513	39.7
121.10148	32.0
123.04491	5.5
123.08054	17.8
123.11714	10.8
125.05972	3.9
125.09616	7.1
128.06142	5.9
129.07007	13.9
130.07771	6.6
131.08572	59.7
133.06461	19.3
133.10106	20.2
135.04457	9.9
135.08040	23.1
135.11656	10.7
137.09616	12.8
139.07547	11.4
141.06964	4.7
143.08589	21.2
144.35403	5.0
145.06462	12.2
145.10127	37.5
147.08020	17.5
147.11662	22.4
149.09593	17.5
149.13200	6.4
151.07567	4.8
151.11208	5.2
155.08551	5.8
157.10104	14.6
159.08153	10.1
159.11707	18.2
161.09654	8.8
161.13251	7.4
163.03938	26.0
163.11105	6.5
169.10126	9.2
171.11655	16.9
173.09656	5.1
173.13266	17.4
177.12663	6.8
179.10716	6.1
180.11444	9.0
183.11630	6.6
185.13220	12.4
187.14784	4.7
189.16460	4.0
191.14308	6.6
193.12206	4.0
195.11813	6.3
197.13350	5.4
201.12901	8.8
203.14302	6.7
207.43629	4.2
211.11253	4.6
213.16350	6.2
219.13799	18.4
233.15465	5.0
237.14764	8.9
245.18810	7.2
255.17477	5.7
271.16989	4.4
273.18518	100.0
289.17966	9.2
291.19574	12.6
307.19144	13.9
325.20422	30.3
325.25241	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	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89614	0.7
53.03951	3.2
55.01869	2.1
57.03194	0.5
57.03436	3.9
61.02930	0.9
69.03434	15.6
69.18620	0.6
69.43441	3.2
69.43849	1.3
71.01342	0.9
71.05002	5.8
81.02939	1.0
81.03425	19.5
82.08004	0.6
85.02898	1.3
87.04440	0.6
89.03929	2.2
91.05481	1.1
99.04462	5.8
103.01408	0.6
105.07020	0.9
107.04924	0.8
109.02879	1.9
113.70565	0.7
116.04980	0.8
117.03391	3.4
117.05486	2.2
118.06551	5.1
131.04826	0.7
135.04407	7.3
137.05945	1.3
145.02866	4.0
145.07610	6.3
145.10074	0.9
147.09175	7.6
162.07858	1.1
163.03918	30.1
163.08664	1.6
173.07109	12.6
175.08685	6.4
185.63701	0.7
191.08167	100.0
192.08562	0.9
202.80495	0.7
203.08186	0.9
205.09900	1.0
233.09326	1.3
239.05786	0.6
239.73590	0.7
289.11844	2.1
307.08148	2.5
307.12881	32.7
308.13251	1.0
325.13943	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	325.1397
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
56.96574	0.8
57.03427	0.4
65.44585	0.3
69.03417	1.7
69.80291	1.9
73.02914	0.6
78.03288	0.4
81.03420	0.6
85.02917	2.4
91.05482	0.8
97.02888	1.1
98.91877	0.3
98.97571	1.7
110.97581	0.7
115.53954	0.4
118.06544	3.3
127.03884	0.8
133.07625	4.6
135.04558	0.3
137.06017	1.0
139.29398	0.3
145.07614	100.0
146.08389	2.4
147.04428	0.4
147.09128	0.5
153.01839	1.4
162.05521	0.4
163.03963	1.2
163.08670	57.2
164.09140	0.6
164.49348	0.4
208.04942	0.5
257.04889	0.4
325.13950	73.3
326.14246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.8
55.79921	1.7
57.03428	3.0
67.05519	5.6
69.03439	25.3
70.01817	6.1
71.04991	4.0
75.53913	1.6
79.05497	6.3
81.03429	14.8
81.07063	3.6
83.04971	4.6
85.02922	14.9
85.06557	3.0
89.03932	9.1
91.05495	3.7
95.04972	7.5
95.08632	3.0
99.04450	2.5
103.05481	3.3
103.93669	1.8
107.04961	9.7
109.02856	4.9
109.10162	2.3
111.04440	2.7
113.06046	10.9
115.05464	3.5
117.03388	9.2
117.07047	5.0
119.04967	5.2
129.07042	2.4
131.04932	10.8
135.04442	25.4
137.05995	28.8
141.07071	2.4
143.04953	4.0
144.34053	1.8
145.02861	14.6
145.06487	4.2
147.04419	8.5
149.06021	10.1
151.07536	10.3
153.05528	1.9
157.06491	3.7
159.04404	2.2
160.05212	4.6
161.06010	5.6
163.03925	100.0
163.07555	16.4
165.09204	1.9
167.07019	11.7
169.06476	2.4
173.05927	3.2
175.07547	13.0
177.05473	11.4
179.07045	8.2
181.04997	1.9
185.06079	2.1
187.07521	3.3
189.09224	2.9
191.06888	10.7
199.07556	6.5
201.09103	5.0
203.07120	4.2
205.08562	3.4
211.07574	2.8
217.08563	12.0
221.08084	2.7
229.08670	7.0
231.10251	2.2
233.07951	2.4
259.09674	4.1
265.12411	2.4
289.10779	1.9
293.11414	5.0
295.11948	2.5
302.63913	1.8
307.08099	12.2
307.11893	5.8
325.14374	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	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03936	1.1
57.03426	0.9
61.02934	0.5
63.02359	0.4
67.05499	0.6
69.03432	4.4
70.82377	0.7
71.04939	0.5
72.16357	0.4
79.05483	1.3
81.02936	0.5
81.03423	10.8
81.07058	0.6
85.02916	4.6
89.03915	7.1
91.05488	1.0
93.07046	0.6
95.04990	0.5
95.08597	0.5
97.02888	1.5
99.04494	0.6
105.07030	0.5
107.04934	2.0
109.02895	4.2
116.42130	0.3
117.03390	9.6
121.06517	0.5
123.04427	0.7
127.03921	1.5
133.10054	0.4
135.04419	18.5
137.02318	0.4
137.06020	1.2
145.02850	12.9
145.03770	0.5
147.04395	0.8
151.07472	0.4
163.03908	100.0
164.04364	0.5
181.04880	1.8
191.08255	0.6
265.08926	0.4
293.08124	0.5
307.08102	9.7
312.44547	0.4
325.09998	1.6
325.13910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34338	1.3
53.03939	2.0
55.01867	2.4
55.05505	2.9
57.03416	1.7
60.88708	1.6
67.05490	4.4
69.03435	21.0
70.78596	2.1
70.78904	2.1
71.04996	3.2
71.10235	1.6
79.05492	2.0
81.03426	15.1
81.07074	3.3
83.04977	3.4
85.02911	9.8
88.59817	1.7
89.03917	4.4
91.05478	3.2
93.07029	2.7
95.04980	4.2
95.08607	2.1
99.04459	2.8
103.05449	2.9
107.04951	5.7
109.02882	5.9
111.04457	2.9
113.05995	7.3
115.05466	2.9
116.51665	1.5
117.03386	13.0
117.07040	1.9
119.04958	2.7
129.07057	2.1
130.35890	1.7
131.04942	10.7
135.04433	20.3
137.05994	18.1
141.06987	2.4
145.02843	15.0
145.07581	1.9
147.04356	2.8
149.05978	4.1
151.07545	5.1
157.06487	3.1
159.04419	2.3
161.05994	3.0
163.03912	100.0
163.07529	9.5
167.07072	6.5
171.08102	2.4
174.06773	1.8
175.07553	5.9
177.05446	4.7
177.09169	2.7
179.07068	4.0
181.04913	4.0
185.05949	2.2
187.07442	2.9
189.09012	2.8
191.06630	2.5
191.08305	19.2
199.07530	3.7
201.09093	3.0
203.07004	2.2
217.08585	4.9
221.08151	2.0
229.08488	4.2
259.09592	3.4
293.11929	3.2
307.08319	8.0
307.12836	8.6
316.09442	1.7
325.10736	2.0
325.14301	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	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.14102	0.2
51.63913	0.3
53.03942	1.3
55.01867	0.5
57.03423	0.8
61.02921	0.2
61.25182	0.2
61.68059	0.3
63.02375	0.4
67.05492	0.4
69.03091	0.4
69.03432	4.7
69.07066	0.8
71.04957	0.3
71.49830	0.5
72.98535	0.2
73.02920	0.5
77.37890	0.3
79.05481	1.2
80.82836	0.2
81.03420	12.2
81.07053	0.7
85.02914	4.3
89.03922	6.8
91.05473	0.5
93.07041	0.4
95.04991	0.3
95.08610	0.8
97.02896	1.2
99.04462	1.3
105.07008	0.3
107.04984	2.0
107.08578	0.2
108.99978	0.3
109.02882	4.9
109.10184	0.5
109.56516	0.2
117.03385	10.7
119.08591	0.4
121.06425	0.3
123.11689	0.3
125.20444	0.3
127.03868	1.7
127.75117	0.3
130.68074	0.2
133.45596	0.2
134.70067	0.3
135.04420	18.3
137.05989	1.2
145.02856	13.1
145.03935	0.4
147.04442	0.3
151.07501	0.3
163.03905	100.0
164.04251	0.8
175.07506	0.6
181.04942	2.7
201.09134	0.3
237.08946	0.4
251.85583	0.3
265.08801	0.3
307.08115	11.1
325.10217	1.2
325.14130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01867	0.9
55.05505	1.2
57.03430	0.7
61.02915	0.6
67.05513	2.1
69.03431	5.8
69.07076	2.1
69.18498	2.0
69.18922	1.3
71.04989	1.0
73.02910	0.4
79.05504	1.6
81.03421	11.4
81.07061	6.0
83.04967	0.5
85.02910	4.8
85.06515	0.5
85.13210	0.3
89.03922	8.0
91.05474	1.0
91.16192	0.3
93.07037	1.5
95.04967	0.6
95.08625	2.5
97.02898	1.0
97.06561	0.7
97.10162	0.4
98.21564	0.8
99.04453	2.0
103.05469	1.6
105.07030	1.4
107.04955	2.6
107.08596	1.5
109.02892	3.9
109.06528	0.5
109.10165	3.4
111.08099	1.1
117.03385	10.6
117.07037	0.6
117.62646	0.4
119.04942	0.5
119.08583	0.8
121.10137	0.7
123.11706	3.1
125.09637	0.5
127.03912	1.1
131.04929	1.6
133.10118	0.5
135.04422	17.1
137.05989	4.3
137.85968	0.3
139.03922	2.9
141.06940	0.5
145.02852	14.1
147.04378	0.5
147.08064	0.4
147.11711	0.4
149.13292	0.8
151.07596	2.5
155.94507	0.4
161.05977	0.5
163.03909	100.0
163.07520	2.6
164.04337	0.6
167.07047	1.5
169.06499	0.5
175.07559	1.5
181.04936	2.0
181.08589	1.4
187.07611	0.5
191.08202	1.9
199.37837	0.4
201.09201	0.5
221.08099	0.3
293.11438	0.4
307.08109	8.9
307.26315	0.4
308.08765	0.4
325.10040	1.7
325.14380	1.5
325.27570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03933	1.4
53.62136	0.3
55.01868	1.0
57.03426	0.8
59.05516	0.3
61.02940	0.4
63.02375	0.4
67.88359	0.4
69.03436	4.2
69.39137	1.2
69.39563	1.7
71.04980	0.7
73.02906	0.6
79.05488	1.0
81.03425	7.2
84.04495	0.5
85.02907	2.9
89.03919	5.8
91.05476	0.6
97.02905	2.6
99.04458	2.9
107.04972	2.2
109.02892	3.7
117.03391	9.5
126.05518	1.1
127.03917	5.1
134.03528	0.3
135.04419	17.8
140.77762	0.4
145.02856	13.6
145.33618	0.3
147.04433	0.4
153.14340	0.3
163.03912	100.0
164.04295	0.7
181.04951	2.3
272.46182	0.4
307.08075	5.7
325.09171	2.4
330.28223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01866	1.2
55.05515	1.1
57.05814	0.7
61.73795	0.6
67.05511	3.0
69.07078	7.2
71.24178	1.5
79.05495	2.9
81.07067	6.0
83.04979	3.7
85.19836	0.7
86.09710	100.0
89.41143	0.6
91.05489	9.3
91.69066	0.6
93.07054	12.0
95.04975	2.7
95.08614	2.0
105.07040	13.4
105.97656	0.6
107.08600	2.5
109.06528	9.8
111.08102	2.4
119.08604	3.8
121.06544	0.6
121.10204	1.0
123.11762	1.0
126.67435	0.7
128.10704	4.5
131.08588	2.9
132.10208	31.6
133.10141	18.4
147.11697	13.6
149.09637	1.7
149.13287	1.2
151.07584	2.9
151.11191	43.0
156.10233	1.3
165.12782	2.1
165.34181	0.8
175.11200	3.8
193.12227	4.5
210.14937	1.8
222.14977	0.9
222.59105	0.7
224.65076	0.8
260.20114	7.6
278.21161	30.5
306.20715	5.1
318.82901	0.7
324.21698	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	324.1962
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03941	0.7
55.05496	0.5
56.22731	0.4
56.96561	0.7
57.03426	0.4
67.05494	0.5
69.03421	0.5
69.07067	1.0
70.67287	0.6
70.67605	0.4
72.93781	0.4
79.05502	17.1
81.03423	0.6
81.07053	1.2
86.09719	2.8
89.03930	0.5
90.94845	0.4
91.05494	1.0
93.07050	2.1
95.04986	0.8
97.02885	0.4
97.10200	0.4
103.05478	32.5
105.07034	3.0
107.04966	17.7
107.08580	0.7
108.88039	0.4
117.03369	0.7
118.03690	0.5
118.06550	5.3
119.08590	0.6
121.06527	1.8
131.04953	11.4
132.08075	2.1
133.08859	0.7
133.10133	0.5
135.04408	0.6
135.11685	0.5
145.02863	1.4
146.03186	1.3
146.09673	1.6
147.10428	0.4
147.11717	0.4
149.06064	0.8
157.10205	0.4
160.11194	0.8
163.03908	2.7
176.14368	42.8
177.05481	1.5
178.05797	2.3
195.27925	0.4
220.64793	0.3
233.14233	0.3
278.21198	0.7
280.13223	0.5
283.06345	1.7
301.07278	2.5
324.19604	100.0
325.19827	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09732	7.2
69.23997	70.4
77.27579	7.1
123.48841	7.7
124.28356	7.1
126.40079	7.0
143.01897	16.2
161.02937	11.0
173.02959	9.3
241.58090	9.3
295.88083	7.2
323.07379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
56.05025	0.6
63.10663	0.6
65.03906	0.8
67.05508	3.0
69.03432	22.5
69.07056	1.5
69.94797	2.9
69.95072	0.7
71.04977	0.7
79.05509	3.0
81.07050	2.0
83.08632	0.9
91.05492	6.4
93.07056	4.9
95.04967	2.7
95.08611	2.5
98.09676	1.9
105.07072	3.1
107.04943	1.4
107.08582	0.9
108.05772	0.8
109.10154	1.0
111.04461	6.0
115.05451	1.5
117.07056	1.5
119.08573	2.0
120.05724	1.7
121.06509	7.3
123.08086	0.9
128.06271	0.9
129.06995	1.2
131.04959	0.9
131.08553	0.7
132.05695	0.9
133.06503	1.4
133.10164	1.2
135.07986	1.0
136.05231	1.3
137.05965	2.2
138.06767	1.9
145.06477	1.8
147.04424	1.4
147.08037	1.8
148.05138	1.1
151.07549	2.8
152.06058	0.7
157.06474	1.0
159.08098	0.9
160.05273	0.9
161.05939	2.2
161.09633	0.7
161.13246	2.1
163.07538	1.2
166.06268	3.8
167.07021	3.3
167.08450	1.1
170.07318	0.7
171.08093	1.3
173.09695	1.3
175.07619	3.1
177.19449	0.7
178.15948	2.8
179.06987	0.9
181.08603	100.0
187.07578	1.0
189.05495	0.8
189.09114	1.3
191.06993	1.4
192.07816	1.2
193.08577	1.4
195.10123	0.7
196.16977	1.4
199.07518	1.2
201.09122	0.8
203.06984	1.1
203.10710	1.1
205.08623	2.6
207.10199	5.8
211.07588	0.7
213.09178	0.8
217.08578	1.1
219.10136	1.2
220.08893	0.7
223.07626	0.8
223.09644	2.3
225.11208	5.8
226.22844	0.7
227.10666	1.9
229.08549	0.7
231.08156	1.0
231.10228	1.4
235.09663	1.2
245.11784	1.1
248.08469	0.9
255.10159	0.8
257.68286	0.6
259.07532	1.0
259.13303	1.3
263.12820	2.2
276.07877	1.0
277.10754	1.7
277.14072	0.6
287.12827	2.9
291.10141	2.6
305.13837	9.2
305.22113	3.4
323.09125	1.4
323.12833	4.1
323.23236	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	321.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01870	18.1
55.05278	6.1
55.05515	73.4
57.03438	4.4
57.07069	6.2
67.05511	63.6
69.03412	6.6
69.07065	32.8
69.63677	28.8
71.05003	5.7
79.05074	7.4
79.05499	100.0
81.07061	61.6
83.04980	31.6
83.08633	24.8
91.05489	48.0
93.07054	65.5
95.04967	16.6
95.08609	32.7
97.06535	22.4
97.10166	49.1
105.07043	61.6
107.04969	35.0
107.08598	89.1
109.06516	8.8
109.10167	26.1
111.08098	7.3
117.07022	18.7
119.08585	32.8
121.10136	24.8
123.08069	10.5
123.11730	15.6
125.09644	68.2
131.08572	24.2
133.10162	35.5
135.08026	31.6
135.11696	15.0
145.10120	18.5
147.11684	21.3
149.09628	80.9
153.09113	17.8
159.11711	15.9
161.13239	9.3
163.11168	7.2
171.10201	5.1
171.11659	6.0
171.13829	7.8
173.11801	6.8
173.13223	9.2
177.12730	6.1
187.11206	7.7
193.10194	4.8
210.81676	3.9
217.14374	53.6
219.17514	10.7
229.19492	6.5
232.97672	4.1
257.18994	13.2
275.20090	75.7
321.24799	7.9
339.19400	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	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01860	8.4
55.05494	4.9
57.03432	11.3
67.05501	10.7
69.03426	12.1
69.07066	4.3
69.72003	15.0
71.04998	2.3
76.43756	2.8
79.05489	32.2
81.03411	7.6
81.07058	41.3
83.04937	2.7
84.79516	2.6
85.02888	9.8
86.09678	3.9
89.31755	2.4
91.05481	15.1
93.07043	10.0
95.01342	14.2
95.04959	11.8
95.05518	2.4
95.08611	2.8
97.02888	3.7
97.06514	19.6
98.21547	3.7
105.07020	6.0
107.04975	4.7
107.08586	4.2
109.02836	2.8
109.06525	29.1
109.10118	3.0
111.04442	3.7
111.08070	2.9
117.06999	6.0
119.04934	7.5
119.08574	12.1
121.06472	5.8
123.04452	3.4
125.06017	3.5
129.07022	3.5
131.08546	3.9
132.10228	2.5
135.08049	7.4
137.05972	13.6
139.03917	8.8
139.07584	3.6
141.01814	3.3
141.05470	3.5
147.08018	10.8
149.05994	4.7
151.07530	6.1
155.07079	5.7
159.02831	2.7
161.06021	4.5
163.07544	11.7
165.09102	23.5
175.07600	6.2
181.08563	6.2
183.10242	3.3
191.06979	3.5
193.08635	26.5
197.04482	6.3
199.09712	15.3
209.08064	10.2
211.09686	16.0
225.07587	3.8
227.09158	10.5
237.07597	9.3
239.01372	3.0
255.08644	100.0
262.15179	4.5
273.09683	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	321.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.05511	4.3
67.05514	3.6
67.86445	1.3
69.03445	7.0
69.07071	4.7
70.36798	5.1
73.36429	1.5
81.03424	26.5
81.07060	6.9
82.34026	1.4
83.04974	1.6
86.09714	97.5
89.03909	2.0
91.05498	3.4
93.07050	6.5
95.04964	1.6
95.08611	5.9
97.06514	2.0
97.10162	5.3
98.97594	5.5
99.04463	1.6
99.16482	1.5
103.05474	6.2
105.07057	4.7
107.04992	1.9
107.08619	5.5
109.02889	9.2
109.10211	3.6
110.97568	1.9
117.03391	8.5
117.07067	1.5
119.08579	2.6
120.08116	100.0
121.10159	1.9
123.08080	1.4
127.03943	2.8
128.10732	53.4
128.98659	1.5
129.29462	1.4
131.04926	3.6
133.10132	3.0
145.02864	16.0
145.10097	2.7
149.05995	5.3
156.10214	11.0
157.10158	2.4
159.11748	3.5
166.08658	49.5
177.05484	33.3
187.14783	1.7
189.92378	1.6
218.07271	3.0
219.01784	5.3
237.02779	3.7
246.06808	2.7
261.09113	5.1
274.06097	1.7
278.09241	2.8
279.03909	6.0
285.22113	1.7
289.08530	4.5
306.08829	2.2
321.09589	21.0
321.24658	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18539	0.8
52.97060	0.9
55.05505	1.0
56.96568	28.0
57.03434	1.5
57.83098	1.1
61.02921	1.4
69.03442	2.9
69.07072	2.0
70.06601	1.6
70.95866	2.2
70.98167	1.0
71.43471	1.4
71.95260	1.5
72.93800	2.2
84.96043	11.2
85.02920	5.1
89.03949	1.0
90.94825	1.6
91.05490	1.6
97.02912	2.0
97.96822	1.8
98.97588	100.0
109.02885	2.5
110.97575	27.6
110.98350	1.6
112.07632	1.1
112.99164	2.5
116.98629	29.2
119.04989	1.1
124.99152	4.1
127.03939	1.6
128.98625	20.6
131.00212	2.7
132.95894	3.7
134.99715	3.9
137.02368	1.6
137.06020	1.2
140.00224	1.2
140.98607	7.6
142.09618	1.0
143.00174	11.7
144.95877	2.6
144.98131	3.1
145.02933	1.2
146.99638	5.5
147.04478	2.3
152.98610	11.7
152.99646	1.3
153.01819	2.3
155.00233	1.4
158.97527	5.3
158.99663	17.8
159.00879	1.5
159.03339	1.4
161.01242	7.4
162.96971	1.1
162.99223	2.9
163.03972	2.6
167.07254	1.3
170.99675	11.8
175.04086	1.2
176.98517	1.6
176.99275	1.3
177.00703	10.4
177.01994	1.7
177.04346	2.2
186.07645	5.0
186.96980	1.6
189.00661	5.3
195.01706	1.6
200.99025	1.6
201.00789	5.2
201.04404	1.4
216.98050	3.1
218.99631	1.2
219.01694	26.7
229.01456	1.8
231.03177	3.2
234.99010	15.2
237.02835	31.5
237.05190	1.5
239.02432	1.8
243.37840	1.0
247.02739	2.4
255.03838	2.2
257.00952	2.5
257.03409	1.3
261.06476	12.1
275.02017	3.5
277.03540	1.5
279.07535	83.9
285.00485	1.7
297.08548	10.6
302.09131	2.2
303.01349	14.6
303.05045	1.8
321.08780	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	4.5
59.46174	1.8
60.73145	1.7
60.93576	1.5
69.62803	10.7
70.99851	3.4
73.01415	2.9
82.99842	13.1
85.11086	1.7
91.02456	2.4
97.01402	8.5
98.20856	2.9
98.97574	6.8
99.04362	2.0
101.00887	74.7
110.97625	2.4
113.00875	24.7
115.02441	19.3
117.03981	3.3
119.01923	63.2
125.00895	1.9
126.88183	1.9
126.98764	4.5
127.02406	3.7
129.03961	6.6
131.01920	29.4
133.03474	27.7
135.05089	2.3
137.03058	8.4
143.01910	17.9
144.99759	3.4
145.03461	8.1
147.05014	2.9
149.02924	3.7
155.01877	6.6
157.03415	4.2
158.99631	2.8
159.01405	2.2
161.02975	17.6
168.99825	26.4
171.01416	8.4
171.05107	2.3
173.02995	23.0
175.01219	1.7
175.02745	1.9
175.04509	4.7
177.00697	2.5
183.01454	2.7
185.02951	4.4
187.00873	46.0
189.02457	20.2
191.03987	17.7
196.99332	17.6
201.00758	2.1
201.02443	23.2
201.06006	2.3
203.04030	3.9
204.35147	1.9
205.01952	11.1
213.02412	3.9
215.00386	48.5
217.01924	3.2
219.01691	3.6
219.03493	18.7
221.03116	3.8
221.05124	6.9
229.01927	42.1
231.03484	7.1
233.01329	4.9
233.05128	21.7
237.02809	2.2
247.03014	100.0
248.03139	1.7
249.04529	5.3
261.04495	4.8
261.08362	3.4
265.03967	9.5
279.05646	8.6
279.09109	3.2
289.04013	18.1
289.07004	2.9
321.06573	21.7
321.10196	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	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07981	1.2
56.96570	6.7
58.99872	1.3
62.61759	1.0
69.51112	9.0
73.02882	1.5
76.96671	1.1
78.62333	1.1
79.60336	1.0
81.03406	1.2
82.99841	12.9
85.01398	1.8
85.02908	1.7
97.02879	3.0
98.97596	16.4
101.00891	96.3
103.02458	2.0
113.00887	5.2
115.02421	1.2
116.98622	6.7
119.01936	78.5
120.02029	1.3
124.02481	1.4
124.99124	3.7
127.02435	30.7
131.01918	11.1
133.03467	1.9
134.99730	1.4
137.02960	3.9
139.02438	1.4
143.00148	3.9
143.01912	63.1
145.03474	67.0
152.01663	1.3
155.01918	8.7
157.03499	5.8
161.02972	78.9
163.04553	3.2
171.01414	46.8
171.05016	2.0
172.01468	1.4
173.03001	20.4
174.97676	2.5
177.00981	2.6
183.01480	2.3
185.02974	5.5
187.04486	2.5
189.02464	100.0
191.03996	10.0
195.01439	2.7
197.03049	2.5
201.00914	1.8
201.02470	43.6
203.00729	4.0
203.03998	9.1
212.04037	1.6
213.02473	11.5
213.98972	1.2
214.96507	4.2
215.04140	2.6
215.26430	1.3
216.98730	3.2
217.98865	1.4
219.01942	7.0
219.03751	16.0
220.95433	1.4
221.01906	2.8
221.05058	21.3
225.02522	2.4
231.03525	4.1
233.05090	53.3
234.99767	3.6
236.00047	1.7
238.96516	3.1
243.03619	2.1
245.05075	4.0
247.04765	1.9
251.06230	2.0
252.98766	1.6
255.94150	2.5
256.97598	21.6
257.00104	2.1
261.04614	51.9
263.99185	1.4
270.99506	2.4
273.95517	2.3
274.94342	3.3
275.06274	1.8
279.05643	22.9
284.99979	1.8
296.97668	2.4
297.95511	1.8
298.00613	2.0
298.18634	4.2
298.98593	17.9
303.01068	1.6
303.05594	8.9
309.50418	1.3
315.96417	2.0
316.00180	1.4
321.06757	13.4
338.98874	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0792
Annotation	Flustramine C
Peak:m/z	Relative Intensity
56.96559	27.0
61.02911	36.7
64.10103	15.2
68.48260	13.0
69.03402	12.9
69.41002	100.0
69.41396	29.3
76.31987	14.4
98.97585	40.2
101.00822	18.3
110.97543	18.1
113.00923	14.3
118.76670	14.0
119.01948	31.6
128.02328	22.4
131.01929	18.6
133.03479	21.6
143.01892	20.7
161.02859	26.8
189.02356	20.2
220.04250	45.8
268.34583	14.8
300.94058	14.1
319.04593	19.9
319.07782	72.2
319.10483	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1026
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
53.03951	2.3
55.01880	1.8
55.05517	20.7
56.10245	1.0
57.03432	3.8
61.02930	2.1
64.22517	1.0
65.03944	6.4
67.01867	1.5
67.05499	4.3
69.03434	31.0
69.07065	1.4
69.53827	0.9
70.06599	3.7
70.08452	4.3
71.04978	1.8
72.32893	1.0
73.02933	1.2
81.03423	18.9
83.04987	100.0
85.02910	21.9
92.06230	1.0
92.28902	1.2
93.03395	7.1
95.04968	1.9
97.02891	10.6
98.20806	1.6
98.97574	3.3
99.04472	2.3
101.02375	1.2
109.02895	10.6
111.04446	45.1
112.07620	1.9
115.00851	1.1
116.98546	1.1
121.02873	7.6
127.03933	13.0
139.03912	37.6
145.04959	2.5
153.01759	1.3
157.04974	16.2
158.08138	2.4
163.03928	1.5
166.43370	1.1
189.02016	1.7
217.01335	1.4
235.02536	1.6
252.67282	1.2
255.08644	7.8
273.00385	2.7
283.08078	3.2
295.77094	1.2
300.99930	2.0
301.03333	1.5
301.08917	2.7
301.11902	2.7
302.00421	1.3
319.01053	1.8
319.04550	2.2
319.10248	2.5
319.13623	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	321.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41083	3.4
53.42741	3.4
56.96566	16.4
58.88718	3.5
61.46498	2.9
69.03413	4.6
69.79002	5.5
69.79397	10.0
70.99848	5.3
74.74188	3.2
82.99850	8.1
85.02912	7.0
95.06101	4.4
97.02913	5.3
98.97585	37.0
101.00888	81.4
110.97620	3.6
111.05574	25.4
113.00893	6.0
115.02406	7.1
116.98643	5.0
119.01933	76.2
123.05534	16.5
124.99129	30.9
127.02415	22.7
128.98639	5.4
131.01912	14.9
139.02428	5.2
140.98616	5.8
141.06598	46.9
143.00172	28.0
143.01897	58.9
144.02692	3.9
145.03474	56.8
146.99628	4.5
152.99724	5.3
155.01886	14.3
156.02722	4.7
157.03496	10.0
158.99698	7.2
159.03215	4.0
159.07669	33.6
160.01357	6.2
161.01343	9.9
161.02963	71.2
161.53185	4.0
162.00163	4.1
165.43619	4.1
168.00377	3.6
169.01898	6.6
169.03416	4.1
171.00041	5.5
171.01434	43.1
173.03001	24.5
174.00316	4.7
177.00887	4.0
183.00705	7.8
185.01382	5.6
185.02960	15.3
185.04489	4.5
187.00992	13.8
189.02492	97.5
191.04044	11.0
196.01479	27.2
196.51700	3.9
197.00502	4.0
201.00809	7.3
201.02454	42.7
203.00742	4.7
203.04001	40.8
205.02116	4.0
210.01274	4.5
213.02467	13.0
215.04007	5.8
219.01671	4.5
219.03575	13.4
220.03485	7.4
221.01836	8.1
221.05106	100.0
225.02011	7.2
226.03474	7.7
231.01762	76.6
231.05444	6.8
231.51871	6.8
233.05136	40.7
234.02159	17.5
237.02797	13.9
238.03102	9.7
239.06157	11.5
240.02341	32.9
240.05841	15.5
243.03232	3.5
245.05109	8.6
251.06163	6.1
255.04135	4.4
256.04315	9.1
256.97534	9.9
261.04645	53.1
262.05142	5.1
263.06067	22.4
275.06241	10.1
277.04190	6.5
279.02847	4.2
279.05859	28.5
280.04254	10.7
291.05508	3.7
298.05255	10.3
298.18976	4.1
298.98654	6.4
300.07166	7.3
300.57520	5.6
303.05481	14.4
304.93494	3.7
310.49707	3.9
321.06683	51.3
329.99500	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01861	0.6
65.03933	0.9
67.05481	0.6
68.99796	4.0
69.03416	1.9
69.51871	1.8
69.52288	1.2
70.79857	0.4
79.05492	0.7
81.03415	1.6
81.07041	0.8
83.04974	2.2
85.02917	0.8
91.05480	0.6
93.03383	0.7
93.07047	0.8
95.04934	0.6
105.07038	0.6
107.04963	0.6
109.02885	2.5
111.00802	4.2
111.04434	1.9
112.39148	0.5
115.05479	0.7
116.98488	0.9
121.02927	0.7
121.06528	1.0
125.02330	0.8
127.03953	0.8
133.02823	1.1
135.11696	0.5
137.02342	3.8
139.03896	1.6
147.04367	1.1
153.01840	22.8
157.04997	0.5
161.05902	0.7
163.03893	0.6
165.01845	7.0
166.02551	0.6
166.05156	0.5
171.04399	1.2
177.05423	0.6
179.03416	3.3
183.02908	2.1
189.05519	2.6
189.93553	0.6
191.03336	0.5
193.01402	0.9
195.02904	1.0
199.03860	1.0
203.03378	1.6
205.47263	0.5
207.02933	1.5
217.01523	0.9
217.05002	7.6
219.02950	1.1
221.04416	0.8
227.03401	1.0
229.05045	0.7
231.02916	0.6
232.03702	0.7
235.02620	1.0
244.03583	0.6
245.04485	9.0
255.02765	1.3
259.10849	1.3
263.05527	1.2
273.03937	8.2
290.04190	2.0
301.03467	2.1
301.11890	1.3
319.04501	100.0
320.04715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0449
Annotation	Myricetin
Peak:m/z	Relative Intensity
51.02388	0.3
53.00300	0.2
55.01867	0.6
57.24202	0.3
65.03937	0.5
65.74606	0.2
67.01846	0.3
67.05506	0.3
68.99786	3.5
69.03405	0.5
69.07060	0.4
69.28476	2.1
79.01861	0.3
81.03394	1.0
81.07053	0.2
83.04960	0.4
86.09695	0.3
87.37061	0.2
91.05463	0.5
93.03392	0.4
93.07057	0.3
97.02885	0.8
103.05474	0.3
105.07037	0.4
107.04978	0.3
109.02892	2.7
111.00070	0.3
111.00804	4.6
111.04436	0.7
115.05453	0.3
117.07038	0.2
119.04977	0.2
119.08646	0.3
121.02869	0.7
121.06496	0.6
123.04392	0.4
124.07578	1.1
125.02325	0.5
126.03124	0.5
127.03883	0.8
131.04865	0.3
131.45508	0.2
133.02827	0.5
133.06497	0.4
137.02345	4.3
137.06003	0.3
139.03897	1.1
143.03406	0.4
145.06461	0.3
145.10258	0.3
147.04422	0.6
148.24316	0.2
149.02370	0.5
149.05960	0.5
151.03906	2.8
153.01834	22.7
153.05379	0.5
161.02237	0.3
161.05991	1.0
163.03932	0.6
165.01840	6.0
166.02623	1.0
167.03369	0.2
167.54872	0.2
169.01364	0.6
171.03082	0.3
171.04416	0.9
175.03922	0.5
175.65512	0.2
177.05478	1.2
179.03375	3.1
183.02917	1.8
187.14798	0.4
189.01840	0.4
189.05470	2.3
193.01303	0.5
193.04834	0.4
195.02808	1.3
199.03923	1.1
201.05428	0.3
203.03387	1.9
205.04807	0.3
207.02902	1.0
216.04214	0.5
217.04965	7.7
219.02927	0.8
221.04475	0.8
227.03380	1.0
229.04930	0.6
231.02835	0.6
232.03592	0.6
233.04471	0.3
235.02386	0.7
235.05978	0.6
244.03647	0.8
245.04474	9.9
255.02890	1.4
257.04477	0.2
263.05481	1.1
272.03085	0.3
273.03928	9.0
283.02383	0.5
286.07932	0.2
290.04205	2.7
291.04953	0.3
301.03537	2.1
301.11755	0.4
319.04480	100.0
320.04779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
58.09887	1.5
69.03397	1.6
70.06596	100.0
71.48725	2.3
77.53008	1.5
78.10297	1.6
85.02887	4.3
86.09688	2.6
94.28835	1.5
110.06058	1.9
121.02924	1.8
123.04416	3.8
124.04722	4.9
130.06561	9.2
132.04472	3.7
133.59370	1.8
134.59587	1.8
135.20811	1.6
138.05492	21.6
139.03906	4.6
156.06462	9.6
156.10147	2.2
157.07611	5.3
158.05984	8.6
159.09166	3.6
165.05458	4.5
166.05809	5.0
175.08688	12.8
182.05292	2.0
203.08131	4.8
221.09218	22.0
235.02051	1.8
242.34480	1.7
272.09195	1.9
288.10550	2.3
300.13419	4.8
301.03476	1.8
318.11136	2.6
318.15033	7.5
319.01102	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01868	0.7
55.05507	0.5
57.03431	1.8
60.04531	0.3
61.02925	1.3
65.01512	0.4
65.03938	0.5
67.05499	0.5
69.03149	0.4
69.03439	4.6
69.07048	0.9
70.10168	1.3
70.10578	0.7
71.04989	0.9
72.08150	0.5
73.02913	0.9
79.05500	0.5
80.04988	0.4
81.03418	1.6
82.06569	0.9
83.04970	0.4
84.08147	0.5
85.02911	7.2
86.09703	1.2
87.04470	0.6
91.05470	1.1
93.07050	1.4
95.08604	1.2
96.04516	3.2
96.08157	2.6
97.02905	3.1
97.05296	2.5
97.06534	1.3
99.04456	0.6
100.07624	1.4
108.08077	0.4
109.02911	1.0
109.06503	0.9
110.06049	5.9
110.09691	4.3
110.81313	0.4
111.04458	0.4
111.08061	1.4
120.08157	0.5
121.06516	2.6
123.04425	0.8
124.04809	0.6
125.08370	0.9
126.09165	9.4
127.03920	1.2
130.06522	0.5
132.12650	0.4
137.06009	0.6
138.05516	4.1
138.09152	22.9
139.03937	0.8
139.07545	1.4
145.04988	0.9
151.03905	0.4
152.10622	0.4
156.06584	1.8
156.10213	100.0
157.10550	0.8
165.05499	1.4
166.05846	1.3
168.10178	1.2
173.12929	0.6
180.10228	0.4
195.47079	0.4
198.11215	1.2
246.11264	0.5
255.02917	0.4
263.53598	0.4
273.04315	0.4
288.10580	3.2
300.10458	0.4
301.03366	0.6
301.11768	0.7
318.11780	1.8
318.15189	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
65.03945	0.6
67.01866	0.6
67.05521	0.2
68.99796	3.6
69.03432	0.4
69.90099	0.5
69.90510	0.7
77.46676	0.2
79.01881	0.5
79.05475	0.3
81.03427	1.0
83.04977	0.5
93.03401	0.4
93.07032	0.3
95.04964	0.4
97.02893	0.7
103.05463	0.4
105.03365	0.3
105.07026	0.3
106.06599	0.2
109.02895	2.5
111.00806	3.9
111.04459	0.8
115.05414	0.3
121.02861	0.7
121.06526	0.3
123.04416	0.5
124.07584	0.7
125.02370	0.9
126.03151	0.4
127.03920	0.9
133.02853	0.4
133.06516	0.3
135.04408	0.3
137.02348	4.6
137.05931	0.2
139.03897	0.9
143.03389	0.3
143.08618	0.2
145.10196	0.2
147.04379	1.0
147.11775	0.3
149.02319	0.4
149.05919	0.3
151.03941	2.4
151.05038	0.3
153.01843	22.3
161.02353	0.4
161.06004	0.8
163.03949	0.4
165.01854	6.6
166.02638	0.9
169.01357	0.4
170.10840	0.2
171.04428	0.9
173.13333	0.3
175.03928	0.5
177.05431	1.0
179.03423	3.2
183.02933	1.5
189.01814	0.4
189.05453	2.0
191.03477	0.4
193.01389	0.6
193.04985	0.3
194.02167	0.3
195.02913	1.7
199.03848	0.8
201.05402	0.2
203.03397	1.8
207.02890	0.8
215.14259	0.2
216.04143	0.2
217.04993	7.1
219.02927	0.6
221.04520	0.5
227.03398	0.9
229.05022	0.6
231.02872	0.6
232.03702	0.4
235.02377	0.7
235.06004	0.7
239.01985	0.4
244.03615	0.8
245.04478	9.1
255.02846	1.3
263.05493	1.2
272.03024	0.3
273.03961	8.2
283.02304	0.4
290.04224	2.1
301.03479	2.1
301.11819	0.6
319.04507	100.0
320.04785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
51.46407	1.3
53.03947	2.6
55.01851	2.5
55.05507	10.6
56.78202	1.4
56.96553	3.4
57.07078	12.4
58.06573	2.3
59.04983	3.6
60.04533	6.6
65.03926	2.6
67.05508	46.1
69.03400	4.4
69.07088	7.2
70.06597	18.5
71.04980	2.9
71.08608	4.6
71.50694	1.8
73.82241	1.4
79.05499	9.1
81.03379	2.4
81.06602	1.5
81.07057	22.9
83.04974	2.3
83.08598	3.6
85.06512	2.2
85.10189	1.7
87.04481	8.2
88.07635	25.5
91.05496	13.9
93.07050	17.6
94.58583	1.2
95.04973	20.5
95.08620	18.9
97.06480	5.2
102.09186	16.2
103.05435	2.1
105.07036	14.8
107.04942	1.5
107.07903	2.2
107.08598	37.3
109.06522	13.3
109.10164	78.5
111.04476	1.1
111.08065	1.8
117.06971	5.5
119.08588	52.1
120.48129	1.2
121.06469	4.1
121.10157	6.6
123.04443	1.8
123.08070	20.7
123.11694	2.8
125.05964	2.9
128.06171	1.8
129.06956	1.8
131.08519	5.3
133.06425	4.5
133.10156	10.2
135.08095	7.0
135.11653	4.2
137.05902	1.9
137.09628	58.2
139.07529	1.7
143.08531	5.5
145.10120	8.1
147.08035	5.3
147.11649	5.8
149.09589	4.9
151.07547	46.0
153.05444	3.5
155.08546	3.6
156.09338	3.3
157.10092	5.3
159.08031	2.8
159.11624	3.9
161.09630	6.5
161.13229	3.2
163.07471	2.7
163.11166	3.8
165.09106	5.2
167.07124	1.5
167.08556	1.5
169.10080	3.2
171.11636	4.9
173.09534	1.5
173.13222	4.3
175.11151	2.1
175.14760	1.3
177.09077	3.2
179.10750	2.7
181.08539	3.7
181.10075	1.6
183.11630	4.1
185.09590	1.6
185.13248	3.1
187.11139	2.2
189.11427	1.4
189.12772	18.8
191.10629	1.4
195.11372	1.2
197.13222	3.0
199.11107	2.8
201.12698	2.7
203.14218	2.3
207.13805	17.8
209.13356	1.4
211.14777	1.4
215.14255	3.8
217.12196	2.2
221.15323	3.9
225.12605	2.0
233.13321	1.8
233.15369	2.1
237.14790	6.2
239.17708	1.7
243.13997	6.5
247.14745	2.1
256.26358	49.8
257.26663	3.0
261.14734	2.8
272.41925	1.3
281.18820	2.6
299.20160	11.3
299.23383	2.2
300.28964	3.1
315.67877	1.3
317.06558	3.2
317.17334	2.6
317.21063	63.4
317.28656	11.8
318.30042	100.0
321.92719	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1386
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
55.01865	2.8
65.03925	2.3
67.05493	1.0
69.03442	1.3
70.16724	0.9
70.78185	2.9
77.65710	0.9
79.05499	2.5
81.03391	1.5
81.07063	1.4
84.26747	0.9
91.05486	28.4
93.07063	1.0
94.04177	3.0
95.04992	6.3
103.05470	4.1
105.07035	3.0
105.18729	1.0
107.04991	5.3
109.06516	3.1
112.22713	0.9
115.05456	1.8
118.07625	0.9
119.04964	12.5
119.08595	2.0
121.06517	12.5
122.03641	6.6
123.04434	13.5
123.08098	1.3
128.06209	4.8
129.07011	17.4
131.04919	3.1
133.06523	1.3
134.03619	1.4
134.80962	0.9
135.04451	4.9
136.05171	2.2
137.05989	100.0
143.04958	1.2
145.06503	1.4
147.04431	17.9
147.08052	6.0
149.05997	23.6
150.06746	3.7
151.03934	1.9
151.07552	55.8
152.06165	2.1
153.06964	2.4
154.07747	1.5
155.08556	2.0
157.06499	10.6
159.04398	1.1
160.05209	2.7
161.05977	4.4
163.07510	3.1
165.05586	2.3
165.06979	16.4
167.08563	5.8
168.05659	1.3
169.06467	2.1
174.06836	1.3
175.07556	36.9
177.05557	1.3
177.07060	1.2
177.09096	1.3
178.07751	5.5
179.08495	1.7
181.06404	2.3
182.07268	3.1
183.08049	3.3
189.09108	1.7
193.06531	6.3
193.08618	2.3
193.10153	4.1
195.08131	8.8
197.06030	5.0
197.09587	1.1
198.06769	1.7
202.07878	1.1
203.08553	1.5
206.07254	2.3
210.06700	7.3
211.07510	8.9
213.09119	6.6
221.06047	10.2
221.09555	7.3
223.07581	3.2
225.05508	1.2
225.09143	7.3
227.07188	1.9
227.10599	3.0
237.09018	1.0
238.06352	5.0
238.09837	1.3
239.07063	11.9
239.10634	2.2
240.07809	1.2
241.08557	6.4
245.11855	1.6
249.09119	4.1
253.08641	8.6
253.12256	8.2
255.06618	1.7
255.10135	2.9
256.07257	2.8
258.08737	4.6
267.10162	2.8
270.08749	2.1
271.09668	33.2
273.11255	13.7
281.11652	4.2
299.12811	16.2
317.03018	1.3
317.13806	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	317.2113
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01842	1.8
55.05515	8.2
57.07088	11.5
59.04979	3.4
65.03934	2.0
67.05508	33.4
69.03426	4.0
69.07050	4.5
70.06593	17.2
70.93754	1.8
70.94895	3.4
71.08624	3.7
76.60369	1.5
79.05506	7.9
81.03397	1.4
81.07057	19.8
83.04962	3.0
83.08611	3.4
88.07627	23.2
91.05494	11.5
93.07040	14.6
95.04983	18.4
95.08604	15.5
97.06529	4.5
100.02487	1.8
102.09182	13.3
105.07036	13.4
107.08603	30.1
109.06538	11.9
109.10162	56.0
117.06978	3.8
119.08582	42.0
121.06488	1.9
121.10156	7.2
123.08050	17.3
131.08539	5.8
133.06505	2.4
133.10139	10.1
135.08057	9.4
135.11694	2.4
137.09622	45.2
139.07443	2.0
143.08496	4.7
144.09265	1.6
145.10141	8.5
147.08047	3.8
147.11665	3.8
149.09612	3.6
151.07550	37.4
153.05460	4.2
155.08559	2.7
156.09320	3.6
157.10214	3.3
159.08037	2.4
159.11673	4.8
161.09602	6.7
161.13289	2.1
163.11133	2.8
165.09099	4.0
167.07024	1.9
169.10022	2.9
170.10951	1.5
171.11690	5.2
172.12582	1.4
173.09566	2.8
173.13202	3.8
177.09084	2.4
181.08598	4.1
181.12128	1.9
183.11723	1.9
189.12750	18.2
197.13286	3.8
199.11118	2.0
199.14838	3.1
201.12756	2.2
203.14265	2.9
207.13802	18.0
215.14241	2.4
221.15329	3.3
233.15309	2.3
237.14833	4.7
243.13808	5.2
256.26364	37.4
261.14828	2.8
263.32141	1.6
271.20563	4.0
271.35446	1.7
281.19077	2.0
299.20010	10.3
300.29004	2.5
303.81244	2.0
317.06604	3.1
317.21075	53.3
318.30029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1385
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
53.03934	1.6
55.01863	3.3
56.84327	0.9
65.03937	1.1
67.05504	2.6
69.03419	4.0
69.07060	1.1
69.95795	4.3
79.05494	3.5
81.03428	1.1
81.07030	2.7
91.05486	22.6
93.07023	2.8
94.04180	2.7
95.04956	6.2
97.02908	1.1
97.06531	3.8
103.05462	4.0
105.07034	3.2
107.04948	4.6
109.02864	1.0
109.06492	2.0
115.05455	1.6
117.07047	2.0
119.04937	13.2
119.08564	2.7
121.06518	11.0
122.03645	8.4
123.04420	16.9
123.08089	1.4
126.14247	1.0
128.06219	4.0
129.07004	18.0
131.04922	3.3
134.03648	1.4
135.04449	5.0
135.08006	2.3
136.05194	1.8
137.05986	100.0
139.03920	1.7
141.06990	2.1
143.04852	1.1
145.06454	2.4
147.04407	21.0
147.08057	7.9
148.05121	1.2
149.05991	25.0
150.06793	3.2
151.03998	1.2
151.07552	56.4
152.06207	2.4
153.05484	1.7
153.06950	2.4
154.07838	1.1
155.02295	1.2
155.08530	3.9
157.06485	14.5
157.07623	2.2
157.72215	1.0
160.05203	1.8
161.06001	4.8
163.03923	1.5
163.07536	3.8
165.05467	12.8
165.06998	14.6
167.07184	2.0
167.08549	7.2
168.05644	2.1
169.06499	3.2
175.07549	35.2
177.06894	1.6
178.07718	5.3
179.08577	1.3
181.06525	2.5
182.07268	4.3
183.08058	3.4
189.09131	1.7
192.09383	1.4
193.06493	6.4
193.08569	4.9
193.10088	5.5
194.07343	1.2
195.08044	8.3
196.05307	1.1
196.08749	1.7
197.05992	5.0
197.09708	1.4
198.06731	1.7
202.07732	2.3
203.08295	5.0
206.07207	1.6
209.06061	1.9
210.06804	8.3
211.07594	11.2
213.05440	1.1
213.09105	6.3
221.05957	9.5
221.09517	6.4
223.07497	3.7
225.05594	1.3
225.09160	8.1
226.06209	1.2
227.07050	3.0
227.10690	2.4
237.09373	1.1
238.06227	4.4
239.07054	11.3
239.10661	2.8
240.07803	1.4
241.08566	7.0
243.06540	1.1
249.09148	3.9
253.08559	9.8
253.12233	9.9
255.06471	2.2
255.10150	2.0
256.07300	2.2
257.11856	1.3
258.08896	4.0
267.10135	2.5
270.08792	2.4
271.09659	31.9
273.11246	14.5
281.11682	3.4
289.03345	1.1
299.09497	1.6
299.12790	17.3
317.02927	1.8
317.06451	2.0
317.10382	3.3
317.13913	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	317.0658
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
66.01044	0.7
67.05459	0.8
68.99778	1.0
69.03400	0.6
69.45692	0.9
69.46099	2.6
74.00114	0.5
78.01031	0.6
79.05456	0.8
81.03396	0.6
81.07024	1.5
85.02872	0.5
86.03699	0.4
86.09653	0.6
91.05458	1.1
93.07007	1.1
95.08533	1.2
97.02883	0.6
103.05451	0.5
105.06971	1.5
107.04928	0.9
107.08526	0.9
109.02850	0.7
109.10103	0.9
110.03671	2.2
117.16059	0.4
119.04853	0.7
119.08516	1.3
121.06483	0.7
121.10122	0.6
123.04380	1.1
130.06487	1.1
131.04892	1.1
131.08464	0.6
132.10234	0.6
133.06447	0.6
135.08025	0.9
137.02351	4.9
137.03328	0.9
137.05910	1.5
139.03723	0.5
145.10181	0.6
147.04420	1.3
147.11664	0.6
150.03133	0.6
151.03844	0.6
153.01839	3.2
158.05965	1.1
159.11629	0.7
161.05931	0.7
161.09547	0.6
163.03891	1.5
165.05489	0.9
167.07037	0.5
169.10066	0.7
171.04361	0.5
177.09024	0.6
186.05447	1.4
187.03850	0.5
193.01312	1.6
193.04840	0.5
200.04662	1.6
204.04181	1.8
214.02641	0.6
217.04886	0.9
225.09135	0.8
228.04161	7.6
229.04976	3.5
231.02968	0.6
245.04482	2.8
246.05312	0.7
256.03586	0.6
257.04446	2.7
273.03973	1.9
274.04730	9.0
285.04092	2.7
285.10992	1.1
299.09119	1.9
299.20114	0.6
301.03439	27.1
302.04221	77.7
303.04599	0.7
317.06580	100.0
317.21323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28306	0.3
50.34899	0.3
53.76331	0.3
57.96703	0.4
60.04522	3.2
61.04870	0.5
65.03933	0.9
67.05497	1.1
68.99798	0.6
69.03427	0.6
69.07042	0.7
72.05233	0.4
73.72717	0.3
74.65900	0.3
79.05482	0.7
80.05386	0.3
81.03385	0.4
81.07059	1.8
88.03976	1.2
91.05482	1.0
92.02633	3.1
93.03414	3.2
93.07039	0.9
95.04939	0.4
95.08608	0.7
97.06536	0.4
98.20676	0.5
105.07033	1.2
106.05039	2.9
107.04874	0.5
107.05479	0.4
107.08527	0.4
109.02870	0.9
109.06529	0.7
109.10144	0.9
119.08562	0.6
121.02867	2.1
121.10151	0.7
123.04390	0.6
124.11987	0.5
126.03084	0.9
131.08670	0.3
133.10072	0.4
135.04430	0.4
137.02333	0.6
137.05971	1.3
139.03925	1.7
145.10193	0.3
147.04395	0.6
147.11691	1.0
148.12054	0.8
151.03857	1.7
153.01831	16.9
157.06535	0.4
161.09499	0.3
163.03894	0.6
165.01822	1.3
165.05487	0.7
166.02692	0.3
166.13174	0.4
177.05479	0.8
183.02881	0.6
183.04485	0.5
187.03859	0.3
200.04695	0.7
201.05557	1.8
203.03384	1.4
217.04988	2.6
217.58453	0.3
218.05801	1.2
218.11745	0.5
219.02895	0.7
225.09161	0.5
228.04156	3.7
229.04959	6.9
231.02873	1.1
232.03708	0.4
235.15326	0.6
239.03230	0.4
243.06459	0.4
245.04463	3.5
246.05238	3.8
253.16373	1.1
256.03711	0.4
257.04419	4.6
260.03116	0.4
271.06436	0.3
273.03955	3.6
274.04758	6.7
284.03168	1.0
285.03949	7.1
288.06183	0.6
299.09235	1.2
299.16846	1.5
301.03610	0.6
302.04227	22.1
317.06567	100.0
317.21182	1.0
318.06845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05517	4.4
56.05037	4.6
57.07077	2.6
60.04530	100.0
67.05504	7.5
67.78186	0.6
68.17371	0.6
69.07065	4.2
70.06577	0.8
71.08646	0.7
72.04533	1.6
74.06078	1.9
79.05500	4.6
80.05000	0.7
81.07055	8.8
82.06589	1.4
83.08630	2.7
84.08158	0.8
87.04456	0.9
88.17905	0.6
90.05569	1.7
91.05493	2.0
93.07031	3.9
94.06548	0.9
95.04961	0.7
95.08619	7.0
97.06589	1.0
97.10172	1.7
105.07060	1.4
107.08600	1.7
109.10178	2.9
119.08578	1.9
121.10173	2.8
123.11777	0.9
133.10150	1.3
135.11728	1.2
147.11667	0.8
242.95688	0.8
250.25197	1.4
262.25305	1.2
263.23505	0.8
280.26321	12.2
298.27405	13.1
316.28470	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.82566	0.2
55.05503	0.2
58.30925	0.2
65.03931	1.0
67.01856	0.2
67.05495	0.3
68.99797	0.7
69.03419	0.4
71.49272	0.4
79.05478	0.4
81.03412	0.3
81.07071	0.4
85.02881	0.3
91.05466	0.6
92.02628	3.7
93.03403	3.1
93.07031	0.4
94.04176	0.3
95.04955	0.3
96.95185	0.2
99.04404	0.2
105.07043	0.6
107.04959	0.5
109.02866	0.5
109.10204	0.3
111.00827	0.3
119.08620	0.3
121.02870	2.5
123.04449	0.7
126.03143	1.3
128.06247	0.2
135.04453	0.2
137.02338	0.6
137.05992	0.7
139.03914	1.7
147.04378	0.4
147.11716	0.5
147.61832	0.2
149.02342	0.2
150.03111	0.2
151.03920	1.3
151.07573	0.3
153.01836	18.1
161.05931	0.3
163.03896	1.0
165.01868	1.4
165.05508	0.8
167.07002	0.2
173.06018	0.5
177.05496	0.5
179.03435	0.3
182.07298	0.3
183.02924	0.5
183.04407	0.3
187.03856	0.2
197.09654	0.2
200.04694	1.0
201.05527	1.8
203.03375	1.6
205.05052	0.2
217.04959	2.8
218.05818	1.3
219.02904	0.8
225.09122	0.5
228.04181	4.0
229.04965	7.9
231.02835	1.3
243.02731	0.3
245.04515	3.8
246.05229	3.1
256.03790	0.3
257.04474	3.8
257.07303	0.3
257.11700	0.4
260.03159	0.7
261.07620	0.4
271.06046	0.5
273.03928	3.4
274.01715	0.4
274.04733	6.7
284.03192	0.7
284.35510	0.2
285.03934	7.6
285.11151	0.6
286.04706	0.4
287.02063	0.3
287.09201	0.3
288.06448	0.3
299.05994	0.3
299.09222	1.1
301.03360	0.4
302.04227	22.5
317.06573	100.0
318.06897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2684
Annotation	Mansumbinone
Peak:m/z	Relative Intensity
50.33215	1.2
51.78731	1.2
53.03938	1.7
53.31614	1.0
55.05508	6.8
57.03422	1.5
57.07064	3.9
65.03931	1.6
67.05512	13.9
69.07072	11.0
71.95594	1.3
72.19850	1.2
79.05499	14.4
81.06603	1.9
81.07060	32.1
83.05008	1.5
83.08598	5.1
85.06529	2.7
88.07629	2.1
91.05474	9.7
93.06501	1.5
93.07051	22.3
95.04952	4.9
95.08615	40.0
97.06503	3.8
97.10190	2.4
105.07040	17.8
107.08606	50.9
109.06525	25.7
109.09480	2.0
109.10159	22.6
111.08059	2.6
111.11711	2.0
117.06985	3.0
119.08586	20.0
121.06522	1.8
121.10153	22.6
123.08075	17.0
123.11708	15.7
125.09614	2.9
129.19228	1.5
131.08571	8.3
133.10144	15.2
135.08084	2.6
135.11719	16.5
137.09613	3.0
137.13275	9.2
143.08578	2.7
145.10124	10.2
147.11722	11.1
149.09578	2.1
149.13264	12.0
151.11232	2.2
151.14821	1.9
153.01781	2.6
157.10126	5.0
159.11700	15.2
161.13278	20.4
163.11156	3.7
163.14832	7.3
165.12775	2.3
171.11699	3.0
173.13268	12.3
175.14836	11.9
177.12747	7.1
177.16405	3.2
179.14291	2.7
185.13257	2.4
187.14859	8.4
189.16368	6.5
191.14284	5.1
191.17926	3.2
199.14854	3.3
201.16426	7.5
203.17938	4.7
205.15857	2.6
205.19463	2.7
207.17421	2.1
213.16370	5.1
215.17969	3.6
217.19496	2.0
219.17520	2.1
227.17920	5.2
228.87547	1.5
229.19608	2.4
231.21043	2.6
241.19492	6.0
243.21034	5.1
255.20964	2.5
257.22577	2.9
270.27887	2.0
297.22357	2.4
297.25769	37.0
315.14056	2.1
315.23431	3.9
315.26810	100.0
316.28433	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	316.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.3
57.03424	2.2
60.04529	100.0
67.05508	13.3
69.07063	7.1
70.02941	4.2
70.65284	2.9
70.65646	1.7
71.04977	2.3
72.01536	1.3
79.05487	7.7
81.03420	2.1
81.06606	2.0
81.07063	37.2
83.04975	4.2
83.08601	3.8
85.06540	2.7
87.95567	1.1
88.03996	49.2
90.70708	1.2
91.05484	11.4
93.07031	5.8
95.08611	8.1
96.04505	3.2
97.06557	2.4
98.73606	1.3
105.07039	17.5
106.05035	96.2
107.08594	6.3
108.60750	1.5
109.02883	2.0
109.06524	1.8
109.10135	2.3
117.07030	1.3
118.52810	1.4
119.08569	13.2
121.10135	14.0
123.08106	2.0
123.11694	14.1
133.10173	3.0
147.11688	34.3
153.01814	4.9
154.02168	3.3
165.12747	14.7
166.07339	1.5
183.13861	2.1
193.12184	1.7
206.15445	4.7
224.16418	3.0
229.04955	1.6
229.14316	2.8
234.14885	20.7
252.15952	37.3
257.04581	1.9
270.16943	8.9
274.04715	1.9
280.15469	13.7
298.16492	40.9
301.07034	2.0
302.04184	5.4
316.09375	2.8
316.12894	1.4
316.17514	9.2
317.06586	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	316.2848
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.44282	0.6
55.05518	5.0
56.05038	5.0
57.03439	0.7
57.07084	2.1
60.04529	100.0
67.05510	9.1
69.07069	4.3
70.49814	1.1
70.50214	1.7
71.08612	1.0
72.04521	2.1
74.06077	2.4
79.05492	5.1
80.05031	1.0
81.07058	9.0
82.06608	1.8
83.08639	3.2
84.04507	0.9
86.06074	0.7
87.04475	2.3
90.05560	1.4
91.05494	1.9
93.07068	2.7
94.06590	1.1
95.08617	8.4
96.08113	0.6
97.06576	0.7
97.10192	1.5
105.07026	1.1
107.08622	1.9
109.10149	3.4
119.08573	1.9
121.10131	1.0
123.08071	0.7
123.11764	1.2
127.60411	0.7
133.10168	0.6
135.11752	1.0
137.13266	0.7
149.13217	0.6
151.07500	1.0
162.04425	0.8
207.28807	0.7
245.22484	0.7
250.25328	0.9
256.26361	1.3
262.25293	2.2
263.23889	0.7
268.26212	0.9
280.26324	12.2
298.13437	0.6
298.27429	12.5
316.28485	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88545	6.0
55.01876	9.0
55.05507	13.5
57.03428	13.5
61.02931	8.9
67.05508	32.1
69.03435	41.8
69.07075	9.6
69.95417	26.7
71.05006	11.7
71.33006	5.1
73.02921	13.6
77.77583	5.4
79.05482	24.6
81.03418	46.4
81.07058	79.7
83.04984	22.3
85.02916	52.6
91.05479	34.6
93.07059	75.9
95.04990	32.4
95.08611	26.2
97.02899	36.3
97.06541	11.2
99.04453	22.4
103.03944	11.0
105.07037	37.9
107.05022	8.6
107.08588	88.1
109.02892	7.4
109.06543	33.3
109.10116	18.1
115.03949	10.5
117.07030	7.9
119.08590	61.2
121.06553	13.1
121.10152	21.3
121.27674	5.3
123.04408	27.6
123.08046	9.9
127.03951	17.5
129.07022	7.9
131.08580	15.5
133.10147	16.1
135.08081	6.6
135.11716	45.4
137.05988	8.4
137.09590	14.3
141.05495	8.3
142.07773	8.2
143.08546	10.2
144.79289	5.6
145.10143	26.1
146.65895	5.9
147.08061	11.3
147.11710	17.2
151.07538	9.9
151.11255	13.9
153.01848	100.0
153.03018	11.2
153.12756	21.4
155.06949	7.7
157.10127	20.5
158.07491	6.3
159.11674	24.3
161.05931	7.0
161.13303	6.7
163.07541	5.9
163.11188	11.0
165.12727	26.0
167.07114	11.0
171.11656	11.5
173.09613	7.4
173.13365	7.9
175.11188	12.4
177.12752	17.1
189.12770	7.9
193.12238	12.3
201.12753	10.4
219.13805	8.5
222.59200	7.0
231.13855	14.1
243.13742	10.5
261.14838	17.8
265.08633	9.8
279.15845	11.2
283.09650	7.9
297.11249	7.2
297.16995	21.6
315.05054	7.7
315.12424	6.3
315.18094	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
53.09466	1.3
55.01869	6.3
55.05512	7.6
55.05725	1.5
57.03445	7.5
61.02909	4.7
63.84228	1.2
67.05495	4.3
69.03439	14.3
69.07054	5.8
70.78168	3.5
71.01343	1.5
71.04998	16.7
73.02905	3.2
78.32606	1.6
79.01844	5.5
79.05492	5.8
81.03416	11.1
81.07059	10.3
83.04974	3.8
85.02914	18.1
87.04481	1.6
91.05486	10.8
93.07057	11.3
95.04974	3.9
95.08603	5.9
97.02911	8.9
97.06558	1.8
99.04436	2.5
100.10543	1.7
100.64443	1.5
103.03934	4.1
105.07047	19.5
107.01303	2.8
107.04951	3.8
107.08585	12.0
107.43461	1.3
109.02884	6.9
109.06498	7.4
109.10126	4.0
111.08065	7.7
115.03939	3.4
115.05438	1.9
117.07022	5.3
119.08594	19.0
121.06511	4.4
121.10130	3.9
123.04456	1.4
123.08065	6.2
123.11714	2.7
125.02349	3.6
127.03911	5.9
128.06216	1.6
129.05453	3.3
129.07010	2.1
130.07849	2.3
131.08591	11.7
133.04935	4.2
133.06471	4.0
133.10136	3.8
135.08069	4.1
135.11678	4.0
137.05980	5.0
137.09608	4.2
137.13249	1.5
143.03381	6.1
143.08557	6.7
145.06488	1.7
145.10139	10.0
147.08060	12.3
147.11691	3.6
148.81850	1.3
149.09644	3.3
151.07491	1.9
151.11168	3.2
152.06152	1.7
153.01846	100.0
153.02950	5.5
153.06927	1.7
153.12723	5.4
154.08643	1.5
155.08534	2.2
159.08047	5.8
159.11684	4.1
161.05997	2.2
163.11229	4.4
165.12753	12.5
171.02873	5.1
171.11670	2.7
173.09573	7.7
173.13275	4.1
175.07521	2.4
175.11125	1.8
177.12778	6.2
181.12186	1.4
183.08064	1.7
189.12750	6.1
191.10733	2.8
194.07228	1.6
195.07993	1.7
201.12875	2.1
207.13733	2.5
219.13774	2.7
223.07529	1.8
231.13727	3.7
243.13800	2.1
255.10094	2.1
261.14899	3.9
265.08444	1.9
279.15750	2.8
283.09564	2.4
297.05978	3.8
297.16998	3.3
315.12601	6.2
315.18024	2.9
337.03708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	17.6
55.05521	31.0
57.03443	20.8
59.05003	5.1
61.02912	9.0
65.85909	3.8
67.05492	9.0
69.03442	32.6
69.07051	12.2
69.78048	23.9
71.01347	8.3
71.05002	44.0
73.02917	13.8
79.01855	4.7
79.05489	16.4
81.03423	15.0
81.07055	27.9
83.04984	8.3
83.08633	4.6
85.02914	48.1
91.05491	35.3
93.07060	38.9
95.04996	8.1
95.08595	15.9
97.02896	18.3
103.03948	9.7
105.07047	42.3
106.47489	3.8
107.08614	37.8
109.02894	8.2
109.06541	26.0
109.10157	18.5
111.08070	6.9
115.03942	11.2
117.07038	13.4
119.08597	42.4
121.06508	10.0
121.10154	9.3
123.08079	14.9
127.03880	7.3
128.06212	4.6
129.06975	8.7
131.08585	20.4
133.04993	27.2
133.06528	6.9
133.10164	8.3
135.08069	8.7
135.11687	14.1
137.05975	8.7
137.09637	9.3
137.13252	5.5
143.03404	8.2
143.08556	14.6
145.06483	5.3
145.10117	18.1
147.08076	14.8
147.11661	5.5
149.09601	12.2
151.07536	5.8
151.11189	6.8
153.01849	100.0
153.02975	6.3
153.12767	13.0
159.08055	9.5
159.11638	5.5
161.09598	4.9
163.11157	12.4
165.12770	67.1
171.11690	5.9
173.09612	18.9
173.13315	7.6
177.12808	20.9
177.14064	4.1
183.11668	3.9
187.11246	5.4
189.12724	12.6
191.10608	4.3
201.12733	5.0
207.13768	6.6
219.13820	12.6
231.13826	9.6
243.13850	9.9
261.14856	12.5
279.15881	7.8
297.16885	5.2
315.13165	4.0
315.17926	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	315.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
52.81622	0.3
53.03948	0.6
53.60713	0.2
55.01877	0.6
57.03423	0.5
57.31774	0.3
63.58424	0.3
67.05498	0.4
68.55564	0.3
69.03435	1.4
71.05022	0.4
71.28722	0.6
73.02927	0.4
79.01865	4.5
79.05484	0.3
81.03427	2.5
81.07033	0.3
83.16051	0.2
85.02908	1.8
91.05497	1.2
94.14870	0.3
97.02889	1.7
99.04478	0.9
105.61771	0.3
107.01349	1.8
109.02885	1.9
119.04951	0.4
125.02376	2.5
127.03931	1.7
131.04913	0.3
137.05994	1.5
138.06346	0.6
143.03429	4.7
151.07550	0.9
151.42390	0.3
152.07881	0.7
153.01848	100.0
153.02916	6.4
161.05911	0.5
163.07552	0.3
165.06941	0.6
171.02899	1.3
190.09503	0.4
194.07210	0.7
199.08638	0.3
211.07718	0.3
221.06070	0.3
222.06781	0.5
223.07541	0.4
237.09152	1.0
255.11148	0.9
265.08658	1.4
269.08051	0.4
283.09711	0.9
297.06165	0.7
297.11325	1.2
315.07431	1.5
315.13089	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	315.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.3
53.03946	0.5
55.01869	0.7
57.03433	0.7
59.15654	0.3
61.02934	0.7
67.05496	0.5
69.03089	0.4
69.03436	5.1
69.18669	0.3
71.04988	0.4
71.32992	0.5
71.33301	0.3
72.00043	0.3
73.02922	0.3
79.01856	4.0
79.05476	0.5
81.03420	3.3
81.07053	0.9
82.09428	0.3
85.02908	2.6
86.28940	0.3
87.00864	0.4
90.05691	0.3
91.05492	0.6
93.07051	0.9
95.04959	0.3
95.08608	0.4
97.02901	2.6
99.04442	0.8
102.03779	0.3
105.07046	0.4
107.01334	1.6
107.08578	1.1
109.02883	2.3
109.06586	0.4
111.04478	0.3
119.08575	0.7
121.10175	0.3
125.02358	3.1
127.03918	3.5
127.38034	0.3
129.88293	0.3
133.10153	0.5
135.11723	0.8
137.06007	0.5
141.38164	0.3
143.03406	4.8
145.10089	0.4
147.11644	0.4
153.01842	100.0
153.02899	5.5
154.02187	0.5
161.05995	0.4
171.02902	2.7
179.03401	0.5
188.30644	0.3
191.03448	0.8
195.08095	0.3
196.82187	0.3
223.07477	0.5
232.99539	0.6
237.03947	0.5
283.09720	1.0
294.58301	0.3
297.06064	1.4
315.05011	1.7
315.12473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33918	0.4
51.34408	0.3
55.01882	0.6
61.02916	0.7
63.89534	0.3
67.94097	0.4
68.71835	0.4
69.03435	10.4
71.23345	0.5
71.23680	0.6
72.97602	0.4
79.01865	3.8
81.03422	0.9
85.02920	0.6
85.91117	0.4
87.53660	0.4
97.02901	2.1
99.04456	0.6
107.01317	1.2
109.02887	1.8
122.90523	0.4
125.02360	2.8
127.03938	5.7
143.03424	4.7
153.01846	100.0
153.02888	5.1
159.04494	0.6
163.03810	0.7
171.02914	0.9
179.03468	0.8
184.05550	0.4
191.03416	1.4
205.04945	0.8
207.02953	1.0
209.04547	0.6
233.04416	0.8
237.04008	0.9
283.09595	0.4
297.06021	0.6
306.15030	0.4
313.15726	0.5
315.04666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43346	1.6
56.96578	1.6
61.02946	3.6
69.03429	5.2
69.82479	4.5
69.82890	3.7
72.08121	1.9
72.46378	1.4
73.06557	62.9
74.95778	1.5
79.05502	1.9
81.03419	5.0
83.43582	1.6
85.02901	13.1
89.06034	23.2
91.05456	1.9
96.08081	1.6
97.02889	6.7
97.36897	1.8
107.35467	1.6
109.02884	2.3
117.09161	4.5
121.02876	2.9
122.03202	3.5
123.04468	2.6
124.07573	2.7
127.03912	2.9
135.10168	100.0
145.04956	3.3
152.07098	5.8
153.01842	26.3
283.56961	1.9
296.67276	1.9
298.10696	4.7
299.11496	2.3
314.13828	6.7
315.07437	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2691
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
53.03950	1.1
55.01891	0.6
55.05269	0.8
55.05513	5.9
55.23403	0.5
56.05042	2.9
60.04529	100.0
60.94915	0.4
64.37296	0.5
65.03948	0.5
67.05510	11.4
68.05026	0.6
69.07066	4.1
69.81876	2.6
70.06590	1.0
72.04523	1.6
74.06094	2.2
79.05499	4.8
80.05039	1.0
81.07062	11.0
82.06583	2.0
83.04969	0.8
83.08617	2.4
90.05578	1.2
90.34120	0.5
91.05506	2.7
93.07052	4.9
94.06596	0.9
95.04967	0.5
95.08620	8.4
96.08147	1.0
97.10197	0.9
105.07041	2.1
105.41933	0.5
107.08613	3.3
108.08166	0.5
109.10166	3.5
119.08593	1.5
121.10174	1.6
123.11734	1.6
124.67821	0.6
131.08591	0.9
133.10190	1.5
135.11755	1.3
141.30316	0.5
145.10152	0.6
147.11810	1.1
149.13274	0.7
153.01869	1.5
161.13252	1.0
173.13245	0.5
191.81030	0.4
224.74374	0.6
248.23720	1.0
260.23813	2.1
266.03909	0.6
278.24808	11.0
296.25885	11.2
314.13818	1.1
314.26935	28.0
315.23734	0.5
323.82086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0713
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02391	0.8
52.53294	0.4
53.03941	1.7
57.03431	0.8
61.02921	0.4
67.05503	0.7
69.03434	5.5
69.95847	2.2
71.04975	0.5
73.02906	0.6
79.01859	4.8
81.03423	8.9
81.07047	0.7
84.07552	0.4
85.02443	0.6
85.02910	6.3
88.28200	0.4
93.07055	0.9
97.02904	2.6
98.04020	0.4
99.04440	0.6
103.05446	0.4
105.07032	0.7
107.01338	2.9
107.08591	0.8
109.02882	6.7
109.92373	0.4
119.08589	0.5
123.04400	0.5
125.02356	4.3
127.03925	5.4
135.11716	0.5
137.05971	1.9
143.03412	5.5
145.04961	0.5
151.07570	1.0
153.01843	100.0
153.02896	5.4
153.12746	0.4
161.05934	0.7
163.03896	0.5
165.07022	0.9
171.02908	5.0
177.07036	0.5
191.03439	0.4
194.07300	1.0
195.08002	0.7
211.07695	0.6
221.06041	0.8
222.06709	0.9
223.07570	0.9
224.08217	0.5
225.09158	0.6
237.09131	1.1
250.06158	0.5
251.07121	0.6
254.09331	0.6
255.10184	1.0
265.08646	1.5
269.08041	0.7
283.09775	2.6
285.11258	0.9
285.88159	0.4
297.05981	3.0
297.11203	2.0
298.99210	0.4
315.07254	1.2
315.12296	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05277	0.6
55.05514	8.3
57.03167	1.2
57.03439	21.5
57.07079	65.3
57.66646	0.6
67.05508	13.3
69.07070	12.3
71.08634	39.6
75.04455	0.8
79.05486	1.8
81.07057	16.2
83.08621	12.6
85.06556	0.9
85.09671	1.1
85.10186	20.2
89.06031	4.0
93.07038	1.6
95.08611	25.1
97.06540	0.9
97.10176	7.1
99.11715	1.8
103.07593	3.1
107.08565	0.9
109.09488	0.9
109.10168	11.6
111.08030	0.7
111.11726	1.7
113.13303	0.8
117.09162	0.8
121.10144	1.4
123.11699	4.5
137.13252	2.2
151.14824	1.1
239.23650	4.4
249.33731	0.7
257.24756	7.6
313.27383	100.0
314.27722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01856	0.5
56.96575	3.1
57.03431	1.0
60.31163	0.4
61.01159	0.8
61.02922	1.1
62.06098	0.5
65.00021	0.4
67.05500	0.5
69.03436	3.3
70.06573	1.0
70.29510	1.3
70.98151	0.4
71.04975	0.6
73.02941	0.7
79.05470	0.5
81.03413	0.6
84.96033	0.7
85.02904	3.2
87.02670	0.5
96.09789	0.4
97.02901	48.8
98.97595	6.2
106.06548	0.7
108.08130	13.6
110.97598	0.5
116.98657	1.5
119.01747	0.5
119.03541	1.1
123.06764	1.1
124.07624	1.3
127.03955	1.1
128.98697	0.4
134.06023	1.0
134.09674	1.1
135.04483	0.4
135.05400	0.7
136.06200	100.0
137.04521	0.5
138.05501	0.9
143.00220	1.0
143.01646	2.3
147.04352	0.4
148.06148	0.9
152.07076	8.7
152.08287	0.5
152.10715	2.3
153.01854	2.8
158.99722	0.8
161.01361	0.5
161.02719	1.6
162.07800	0.7
163.03922	0.9
164.05688	6.2
177.00809	0.5
178.07277	3.3
179.03781	2.5
189.00772	0.5
214.01103	0.4
223.55843	0.7
248.07819	0.8
248.99184	1.0
267.00491	0.4
278.07089	0.8
291.04016	0.6
296.08206	3.8
304.58228	0.4
314.09128	7.8
314.12448	11.9
314.16196	0.8
315.07333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.7
57.03172	1.2
57.03442	18.8
57.07081	58.5
58.85421	0.7
67.05508	11.7
69.07071	9.8
71.08635	40.0
79.05515	1.5
81.07058	16.8
83.08169	0.9
83.08624	12.3
85.06547	1.7
85.10191	21.1
89.06020	3.1
93.07031	1.2
93.18484	0.7
95.08611	22.6
97.10174	7.6
98.20653	1.3
99.11726	1.4
101.06051	1.1
103.07573	2.2
109.10159	10.2
111.08071	0.9
111.11684	2.0
117.09159	0.9
123.11712	3.1
125.09616	0.7
125.13267	1.1
137.13249	1.2
139.71416	0.7
148.15576	0.7
156.18797	0.7
186.59752	0.8
211.55618	0.7
225.79559	0.8
239.23685	4.2
257.24710	6.2
298.10760	1.5
299.11456	1.0
313.27380	100.0
314.13913	1.7
314.27667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49513	0.5
55.05514	7.7
57.03167	1.0
57.03444	20.6
57.07080	60.5
60.08154	0.7
61.94096	0.7
65.03925	0.8
67.00656	0.5
67.05508	11.5
69.07075	11.2
70.06580	2.7
71.04990	0.9
71.08636	38.0
75.04502	0.8
79.05492	1.4
81.06595	1.1
81.07058	15.2
83.08626	12.6
85.06554	0.8
85.10192	21.9
88.28667	0.6
89.06019	4.0
91.05460	0.5
93.07035	1.3
95.08614	22.9
95.73997	0.6
97.10168	6.3
99.11719	1.2
101.06052	0.7
103.07594	3.1
107.08585	1.1
109.10169	11.9
111.11691	1.5
121.10164	0.7
123.11712	5.6
131.10548	0.9
135.11714	0.7
137.13243	2.6
151.01843	0.5
151.14848	0.8
212.23761	1.9
239.23689	4.1
257.24747	7.5
298.27374	0.6
313.27396	100.0
313.36621	3.9
314.27817	0.8
320.35223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.2
57.03440	17.9
57.07078	63.8
67.05511	15.4
68.48742	1.5
69.07066	9.3
70.97151	1.3
71.08633	37.7
71.09233	1.7
71.50217	2.3
81.07065	17.5
83.08617	11.9
85.10179	20.1
88.73935	1.3
89.06041	5.2
95.08604	22.0
97.10188	7.3
99.11699	1.5
103.07612	2.7
107.08600	2.2
109.10145	10.4
123.11690	6.8
123.82736	1.6
126.21860	1.5
137.13266	1.8
239.23708	4.4
251.62207	1.4
257.24799	7.7
313.27393	100.0
314.14175	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
53.38785	1.2
55.05503	7.4
57.07071	3.0
60.04530	1.3
61.58304	1.4
67.05510	11.7
69.07069	10.9
69.29296	6.0
69.29727	5.0
71.04984	1.6
79.05080	1.5
79.05498	18.8
81.07060	20.7
83.08596	5.2
89.04746	1.3
91.05485	21.7
93.07049	25.0
95.04934	2.2
95.08614	28.7
97.06506	3.1
97.10194	1.6
99.08074	2.1
99.85260	1.2
105.06333	1.6
105.07030	24.9
107.08599	51.4
109.06480	1.5
109.10158	19.8
111.08082	1.7
115.05469	1.8
117.07037	6.4
119.08590	46.0
121.06523	1.9
121.10154	22.5
123.08047	2.2
123.11703	9.3
127.11217	1.3
128.06248	1.8
129.06999	4.3
131.08575	12.8
133.10138	29.9
135.08069	2.0
135.11700	10.7
137.09627	2.3
137.13266	1.8
141.07057	1.8
142.07817	2.6
143.08568	9.9
145.10144	14.8
147.11687	11.3
149.09589	2.7
149.13271	9.3
155.08556	2.3
156.09393	1.6
157.10153	13.2
159.11703	18.3
161.13274	10.5
163.11211	2.1
163.14845	2.3
169.10133	5.0
170.10963	1.7
171.11693	8.0
172.12416	1.7
173.13266	12.0
175.11217	3.0
175.14844	11.9
177.12840	1.6
177.16438	11.3
177.66122	1.4
183.11678	5.8
185.13306	13.2
187.14807	14.1
189.16397	6.4
191.14276	2.6
197.13260	6.9
199.14822	8.0
201.16386	6.0
203.14299	1.8
203.17938	2.4
205.15875	17.1
207.17474	3.2
211.14813	5.2
212.15591	2.0
213.16374	11.3
215.17972	7.9
217.15933	2.1
225.16414	8.9
229.19592	1.9
239.17862	6.5
243.17455	2.6
253.19513	3.0
255.21082	25.6
257.19104	2.1
262.73730	1.3
267.21060	3.9
285.25720	6.2
295.20782	2.5
295.24219	40.2
313.21725	8.1
313.25229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45769	0.8
53.03948	1.3
55.01894	0.8
55.05523	6.5
56.65228	0.9
56.96572	4.2
57.03451	1.0
57.07074	2.8
59.05000	0.9
67.05509	8.9
69.03412	1.1
69.06805	0.9
69.07072	9.4
71.32269	1.6
72.00974	0.8
79.05501	8.3
81.03372	1.8
81.07059	18.3
81.07528	1.0
83.04976	1.9
83.08610	3.4
85.06522	1.2
91.05492	9.7
93.07055	18.1
95.04964	1.9
95.08611	27.7
95.34296	1.0
97.06522	2.5
97.10183	1.5
105.07028	20.3
107.08599	28.2
109.06522	2.8
109.09481	1.4
109.10165	15.9
111.08065	1.6
111.11763	1.1
117.07053	4.6
119.08589	26.3
121.10142	18.3
123.08079	10.8
123.11707	7.8
127.99452	1.0
129.07021	3.5
131.08583	10.8
133.10141	16.1
135.08054	2.2
135.11702	15.5
137.09602	2.9
137.13275	3.7
141.07042	1.2
142.07770	2.6
143.08582	7.1
144.09337	2.2
145.10141	15.9
147.08092	1.1
147.11699	11.1
149.09625	2.0
149.13251	6.0
151.07518	1.1
151.11194	2.7
155.08565	3.8
156.09375	3.0
157.10135	14.1
158.10815	1.4
159.11694	21.7
161.09613	2.1
161.13269	13.4
163.11208	2.1
163.14856	4.8
169.10126	4.8
171.11699	9.4
173.13277	15.1
175.11172	2.6
175.14857	8.5
177.12767	3.7
177.16373	2.1
179.14304	1.0
181.10153	1.2
183.11687	6.0
185.13266	10.8
187.14835	13.5
189.12746	1.8
189.16412	5.7
191.14301	2.7
191.17993	1.6
197.13258	4.6
199.14839	7.0
201.16344	5.5
203.14320	2.5
203.17963	2.8
209.13258	1.6
210.13988	1.4
211.14832	7.1
212.15590	1.0
213.16351	5.2
215.18022	2.0
217.15898	2.6
224.15511	1.0
225.16391	7.1
227.17990	3.9
229.15897	1.9
237.16408	2.4
239.17883	5.3
241.19519	3.1
243.17506	1.6
249.15085	1.0
250.15921	1.3
251.18007	1.3
252.18663	1.6
253.19556	3.1
255.21144	2.8
257.18976	2.1
265.19510	7.3
267.21155	1.6
269.22751	2.5
280.21872	9.1
285.25739	1.7
295.24225	43.4
296.24210	1.1
313.22079	3.5
313.25256	100.0
314.25494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1436
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
52.70676	0.4
53.03947	0.6
54.56892	0.4
55.01876	1.1
55.05524	0.5
57.39924	0.5
61.00386	0.4
65.03937	1.9
67.05508	0.5
71.41549	0.5
71.41877	0.6
79.05497	2.3
81.03432	0.8
81.07050	1.6
83.04991	0.5
85.02908	0.5
91.05488	39.7
93.07062	0.6
94.04183	2.3
95.04972	6.3
95.08582	0.5
103.05483	2.2
105.07036	1.8
107.04959	4.1
107.08571	0.5
109.06543	2.3
111.08065	0.6
115.05457	1.8
117.07026	1.3
119.04950	25.7
121.06544	1.4
122.03655	6.4
123.08097	0.7
128.06241	8.8
129.07018	25.3
131.04935	1.7
131.08553	1.3
132.05766	0.8
133.06514	1.5
135.08041	0.6
136.05215	4.6
137.05984	67.1
139.07596	0.9
141.09029	0.5
145.06496	2.3
145.10217	0.5
146.07320	1.0
147.08025	0.8
149.06000	1.3
151.03915	2.0
151.07555	100.0
155.06027	1.0
156.05702	1.7
157.06499	14.3
158.07265	1.2
160.05260	0.8
161.05989	2.0
161.09625	1.7
163.03952	0.8
163.07547	2.8
165.07001	2.6
174.05255	0.7
174.06776	13.4
175.07547	7.3
176.08269	1.1
177.09137	1.1
178.07800	4.1
179.08528	0.6
181.06516	0.8
187.07672	0.5
189.09119	58.4
192.09380	0.6
193.06468	1.3
193.10141	5.1
195.08073	0.5
197.06004	0.9
202.07784	2.1
203.08577	2.9
205.06412	0.6
206.07222	1.7
207.08047	1.0
209.06062	0.9
209.11827	0.5
210.06833	1.2
211.07455	1.2
219.08032	1.4
220.08804	1.3
221.06229	0.7
221.09651	9.8
223.07576	1.2
225.09122	1.3
231.08037	0.9
234.06572	0.8
235.11140	0.5
237.05612	0.6
237.09190	0.7
238.09811	1.2
239.07014	0.8
241.08652	0.8
243.64197	0.5
249.09140	7.2
250.09956	0.7
251.07036	0.7
252.08005	0.5
253.08693	1.2
253.12245	11.7
263.10699	1.2
266.09341	0.9
269.08124	3.7
272.10349	1.2
281.11774	7.6
284.10272	2.2
285.11456	0.9
313.14343	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03952	1.5
55.01860	1.9
55.05516	70.4
57.03443	24.6
57.07082	29.5
67.05513	12.2
69.07074	76.0
69.28912	7.1
71.04971	1.9
71.08643	18.2
73.02908	2.0
79.05504	6.5
81.06601	1.1
81.07060	13.7
83.04994	1.7
83.08627	62.6
85.06487	1.1
85.10199	8.0
93.07047	7.4
95.08619	9.8
97.06554	6.8
97.10178	45.4
98.21552	1.5
101.89119	0.7
107.08593	5.7
109.10154	2.6
111.08064	3.4
111.11736	14.8
121.10167	9.5
123.11721	1.6
125.09644	2.3
125.13274	2.9
135.11681	6.4
137.13301	1.0
137.14696	0.8
139.11208	1.3
148.84108	0.7
149.13269	4.3
153.12711	0.8
163.14865	2.1
177.16512	1.3
209.11766	1.8
219.21043	1.9
237.22189	1.5
311.25824	100.0
312.26144	1.4
331.14911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23485	1.1
53.03938	3.1
55.01871	2.3
55.05513	33.5
57.03421	2.6
57.07078	19.6
59.04991	2.9
67.05192	1.7
67.05509	26.5
69.03421	2.9
69.07072	100.0
71.04978	1.6
71.08617	4.6
71.50297	2.0
73.06557	4.8
79.05501	13.4
81.03390	1.2
81.07060	73.9
83.04981	2.9
83.08163	2.0
83.08626	37.8
85.06552	20.0
85.10191	2.4
87.08073	1.3
91.05476	5.7
91.88392	1.4
93.07051	20.0
95.08610	75.2
97.06519	7.5
97.10170	14.9
99.08085	10.2
104.69237	1.2
105.07034	6.3
107.08601	23.1
109.10160	40.6
111.08073	8.2
111.11729	23.2
113.09620	1.7
117.88550	1.2
119.08569	5.7
121.10140	12.2
123.11703	18.0
125.09621	2.0
125.13290	6.1
129.12688	1.2
131.08556	3.5
133.06516	1.3
133.10153	2.1
135.11687	13.7
137.05980	12.0
137.13252	7.6
139.11230	2.0
145.10110	2.8
147.04358	1.7
147.11676	1.5
149.04962	1.3
149.09599	3.3
149.13289	13.5
151.14825	9.6
153.12755	15.0
163.14793	5.2
165.06984	1.7
165.16328	2.3
167.14359	2.8
171.11734	1.4
173.13248	1.9
174.81226	1.3
177.16437	2.3
187.07594	3.4
190.07742	3.3
191.08522	4.1
191.18030	1.6
195.11722	1.7
205.19559	1.6
219.08047	6.5
235.07426	1.3
236.08305	1.7
247.07564	3.0
249.25781	1.5
251.07008	1.7
251.10597	8.7
275.27359	2.5
279.06812	2.2
279.10046	7.3
283.12741	1.5
293.25296	1.2
293.28354	7.0
294.73080	1.4
296.10693	1.3
311.05725	1.6
311.09174	2.7
311.12692	10.7
311.15973	1.9
311.20117	1.7
311.23840	7.4
311.29456	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01892	2.0
55.05515	56.6
56.96548	1.0
57.03442	24.8
57.06799	1.6
57.07078	31.6
61.21913	0.8
67.05506	10.7
69.07071	63.6
69.22641	4.8
69.23067	3.7
71.08635	16.1
73.83573	0.9
74.45950	0.7
79.05492	6.2
81.07062	13.4
83.04987	2.1
83.08621	53.3
85.06541	1.1
85.10184	7.2
90.18597	0.8
91.05474	1.8
93.07047	8.0
94.54671	0.9
95.08603	9.9
97.06544	4.9
97.10173	40.9
97.18163	0.9
99.08060	0.9
105.07056	1.2
107.08595	5.4
109.10185	5.2
109.10852	0.8
110.00492	1.0
110.81339	1.0
111.08113	2.4
111.11722	10.5
113.96423	1.3
119.08605	1.7
121.10164	8.2
123.11717	2.8
124.72107	0.8
125.09623	2.0
125.13284	1.2
131.08546	1.2
135.04416	1.5
135.11694	6.2
137.13290	1.4
139.11162	1.4
149.13266	3.6
153.12813	0.9
157.10150	1.7
159.11646	1.2
163.14827	1.2
177.16380	1.0
203.49509	1.1
209.11725	5.7
219.21123	2.5
225.22452	0.9
237.11253	5.1
237.13353	1.0
237.22081	1.9
245.85254	0.9
252.44885	0.9
279.25998	0.9
311.25833	100.0
312.26309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46666	3.4
53.03944	4.3
54.68234	3.5
55.05514	47.6
57.03429	13.0
57.07076	23.6
67.05512	39.6
68.84135	3.9
69.06741	5.7
69.07078	87.0
69.65853	13.1
69.66267	12.0
71.08620	12.1
79.05494	34.0
81.03417	8.1
81.07059	59.2
83.08626	31.2
91.05488	48.9
93.06494	6.5
93.07052	100.0
95.04974	56.2
95.08615	98.7
97.06547	32.4
97.10181	20.8
103.05450	4.5
103.81891	3.4
105.07032	80.2
107.04949	4.5
107.08598	56.0
109.06520	12.7
109.10159	38.4
117.07037	21.0
119.08591	75.5
121.06502	23.5
121.10146	56.6
123.08073	16.5
123.11707	20.3
123.57829	3.9
129.07018	4.4
131.08562	30.6
133.10141	46.3
135.04413	5.6
135.08043	14.1
135.11713	22.1
137.09630	4.6
137.13277	5.0
142.07736	9.7
143.08527	16.0
144.09331	5.6
145.10133	40.9
147.11717	21.8
148.79147	4.2
149.09633	7.5
149.13242	6.1
153.05443	4.9
156.09315	7.8
157.10161	35.9
159.08083	6.2
159.11703	43.5
161.09610	15.3
161.13228	7.4
163.11218	8.5
169.10123	12.6
171.11646	13.2
173.13295	9.1
174.30725	4.1
175.14842	16.8
177.16400	24.3
183.11681	5.6
185.13287	9.9
187.11148	8.5
187.14786	6.6
189.16437	9.2
191.17896	4.4
195.11676	3.9
197.13264	8.7
199.14896	7.9
201.16365	13.8
203.17953	7.2
209.11696	17.0
209.13387	5.2
210.83908	4.2
211.14754	8.6
213.16351	5.0
215.17912	10.0
219.17426	6.4
223.14789	4.9
227.14403	3.9
237.11111	13.7
237.16405	5.6
241.15871	4.6
255.17363	5.4
255.21086	6.4
293.22678	7.7
311.23697	38.9
311.26328	13.5
311.31311	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	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.9
55.01869	4.6
55.05516	51.8
57.03429	14.0
57.07078	30.8
65.03938	3.3
67.05507	43.2
67.82487	2.8
69.07068	84.9
70.11078	2.8
70.30794	3.3
71.05000	6.1
71.08627	8.3
79.05492	29.0
81.03406	8.8
81.07053	57.7
83.04996	10.2
83.08619	35.7
91.05479	40.9
93.07050	100.0
93.07645	5.9
95.04976	58.6
95.08611	95.6
97.06532	23.7
97.10165	18.0
98.99183	3.2
105.04517	3.6
105.07044	72.7
107.08598	59.1
109.06536	12.3
109.10160	36.0
111.04437	10.2
111.11713	4.1
115.05514	3.5
117.07029	18.5
119.08588	66.3
121.06511	16.8
121.10145	48.0
122.97327	3.1
123.08095	20.2
123.11734	19.2
128.06186	5.0
130.07777	4.5
131.08568	23.5
133.10147	31.0
135.04411	22.9
135.08073	16.2
135.11696	21.1
137.09608	5.7
137.13255	3.9
142.07802	10.2
143.08585	14.8
144.09363	4.0
145.06554	3.1
145.10147	41.2
147.08060	4.1
147.11702	28.5
149.09669	3.9
149.13261	6.9
153.05457	7.8
155.08481	5.5
157.10146	27.3
159.08057	4.1
159.11702	45.8
161.09628	26.0
161.13254	14.3
163.11162	8.6
167.08566	5.8
169.10146	12.4
170.10883	4.1
171.11687	18.2
173.13286	16.0
175.14845	13.4
177.16370	28.4
181.12286	5.2
183.11710	5.9
185.13257	11.8
187.11293	9.1
187.14803	6.8
189.16354	16.8
191.10721	7.8
195.11658	3.7
197.13260	5.9
199.14851	4.6
201.16359	13.7
201.92171	3.1
203.18048	5.1
208.12531	3.7
209.11703	49.7
209.13338	4.8
211.14848	6.4
213.16359	9.2
215.17964	11.1
215.75822	2.8
219.17442	7.5
223.14848	9.7
237.11240	47.4
237.16473	7.2
239.18315	3.8
255.12418	6.5
255.17488	6.1
255.21118	9.2
266.00497	3.4
267.21048	4.7
293.22632	9.6
311.16302	11.9
311.23593	32.1
311.26120	25.4
312.32590	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	311.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
55.01860	6.3
55.05492	6.2
55.14769	1.8
57.03416	2.8
61.02906	2.2
67.05495	4.1
69.03442	21.6
71.49118	2.1
79.05496	47.7
81.03416	16.8
81.07046	7.0
85.02912	22.5
91.05484	30.6
93.07052	100.0
93.07648	5.1
95.04963	9.6
95.08578	4.1
97.02905	10.8
98.97607	2.0
105.04531	2.4
105.06537	1.8
105.07050	22.0
106.14770	2.0
107.04935	3.9
107.08597	35.6
109.02891	7.5
109.06495	3.6
111.04427	3.1
111.08070	3.0
117.07021	4.5
119.08585	17.0
121.06475	6.8
121.10150	88.9
127.03913	4.3
129.06969	2.5
131.04895	2.0
131.08565	11.3
133.06497	4.0
133.07555	2.2
133.10144	4.6
135.11699	2.6
137.05989	17.6
139.11183	2.2
142.07727	2.0
145.10106	8.2
147.04413	4.4
147.08052	5.2
147.11652	2.8
149.06038	2.6
149.09639	44.4
159.08046	3.3
161.09599	4.0
163.11188	12.9
166.68608	2.1
167.10637	5.2
173.09621	2.8
175.11168	2.6
177.05606	1.9
186.48982	2.0
187.07593	3.2
187.11223	2.2
191.08493	4.4
191.10747	3.7
207.08148	2.2
218.10583	2.0
219.08107	7.5
233.11797	2.2
237.09097	2.1
251.10591	4.9
252.07082	2.2
257.11548	2.2
265.08582	2.5
275.12759	4.0
279.10107	9.5
290.74100	2.3
293.13858	6.8
296.10522	2.9
311.05557	17.6
311.09146	3.3
311.12735	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	311.149
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
53.03949	4.8
55.01872	18.4
55.05508	3.5
57.03423	6.5
61.02909	2.5
67.05501	5.2
69.03431	17.7
71.04982	3.2
71.41061	3.2
73.02905	5.6
77.03909	2.1
79.05499	40.8
81.03432	13.1
81.07052	6.4
83.05003	4.6
85.02908	24.0
91.05484	31.1
93.07049	69.8
93.07644	3.5
95.04962	5.5
95.08616	3.3
97.02910	13.7
99.04414	5.9
103.05495	3.9
105.03405	13.3
105.07037	37.9
107.04951	7.6
107.08601	47.7
109.02867	6.4
109.06502	6.8
109.10191	2.8
115.03945	2.9
115.05404	3.9
117.07027	8.3
119.08601	20.3
121.06494	11.4
121.10147	48.4
123.08078	2.9
127.03912	10.2
128.06325	3.5
129.07045	5.2
131.08595	24.6
133.06509	4.1
133.10161	11.8
135.08060	3.0
135.11661	3.5
136.29480	2.7
137.05046	2.8
137.05998	30.1
137.09750	2.2
143.03391	4.8
143.08543	6.9
144.05743	3.2
145.05011	3.0
145.06410	2.3
145.10109	18.2
147.04424	5.4
147.08043	20.7
148.04755	3.4
149.04927	3.8
149.06061	3.5
149.09628	100.0
157.06503	2.2
159.08054	4.4
159.11737	2.5
161.05937	4.3
161.09604	18.3
163.11192	31.5
167.10706	3.0
169.10220	3.9
171.02995	2.8
173.09610	4.3
175.76369	2.8
177.09146	3.1
177.21260	2.2
179.08588	2.7
179.10724	3.7
185.09561	3.2
187.07538	9.2
187.11122	5.5
189.09152	2.6
190.07721	6.8
191.08569	10.5
191.10513	11.0
203.10681	4.6
208.08908	2.8
209.11760	3.1
215.10648	5.0
218.07272	4.4
219.08078	11.1
223.07472	3.2
229.12163	4.3
233.11794	6.6
247.07513	7.1
251.10732	19.1
257.11725	3.5
275.12808	8.0
279.10172	15.0
281.07794	3.3
293.13840	9.3
296.10489	3.4
311.05557	21.6
311.12677	17.0
311.15237	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	311.128
Annotation	Porphyrin
Peak:m/z	Relative Intensity
50.57890	1.2
51.65493	1.2
53.03944	1.3
55.01869	3.0
55.05516	2.5
57.03440	1.8
57.29119	1.2
67.05489	4.3
69.03432	3.4
69.07046	2.9
69.39310	5.3
69.39736	4.9
79.05496	8.5
79.70852	1.1
81.03408	4.0
81.07052	7.1
83.08604	1.4
85.02891	4.4
91.05487	11.0
93.07047	13.4
94.04167	4.4
95.04948	1.6
95.08608	2.8
96.37349	1.6
97.06528	1.5
98.21581	2.8
103.05472	1.7
105.07034	15.9
107.08620	6.7
109.02900	1.3
109.06530	8.6
109.10155	2.1
115.05444	2.4
117.06992	1.8
119.08562	5.4
121.06494	3.8
121.10130	12.8
122.03679	10.7
128.06229	2.9
129.06990	4.6
131.04904	2.8
131.08554	3.8
133.06480	7.7
133.10172	1.5
135.04440	1.6
137.05983	100.0
143.08516	1.6
144.05707	5.0
145.10121	1.7
147.04410	3.1
148.04774	2.4
149.04987	1.4
149.05994	9.4
149.09593	7.4
151.07497	1.8
155.04910	6.9
155.05994	1.5
156.05711	2.7
157.10161	1.7
159.08064	7.7
161.06009	17.1
164.09239	1.3
165.06967	3.8
167.06981	2.4
172.05205	2.7
175.07562	4.2
178.07788	1.5
179.08455	2.0
180.09337	2.6
181.06349	1.6
187.07581	29.6
189.07002	8.2
189.08922	2.5
190.07779	28.1
191.08566	54.8
192.09360	1.5
195.08047	2.1
201.06969	2.6
202.07701	3.7
203.08678	1.5
205.06512	2.5
205.10117	1.7
207.08060	6.6
208.08818	8.0
218.07248	18.8
219.08052	74.6
220.08841	9.2
221.05962	1.5
221.09541	1.6
225.09056	2.1
229.07582	2.0
233.09570	3.0
235.07594	10.2
236.08333	16.5
237.09308	2.5
246.06781	2.8
247.07567	29.0
248.08272	3.6
249.05368	1.6
249.09132	2.3
250.09894	1.7
251.10681	98.6
252.11105	1.8
253.08681	6.8
261.09052	5.9
263.07047	1.9
264.07803	9.1
265.08511	6.1
267.10168	3.1
267.21289	1.6
269.69452	1.5
277.08374	1.4
279.10168	76.7
280.10880	7.8
281.08127	9.5
283.13239	2.8
296.10529	9.1
311.09372	4.4
311.12720	74.6
311.23749	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Porphyrin
Peak:m/z	Relative Intensity
53.03940	1.4
55.01869	1.6
57.03447	1.0
65.82146	0.8
69.03430	1.6
71.48557	1.2
73.68121	0.9
75.48257	0.8
75.95437	0.8
79.05512	5.2
81.03411	3.8
81.07052	3.7
81.57274	0.8
82.53407	0.8
83.04967	1.0
83.84427	0.8
85.02917	2.1
91.05489	6.9
93.07063	4.4
94.04195	4.2
95.04955	1.8
95.08588	0.8
97.02873	2.4
103.05470	2.9
105.07031	6.5
105.27352	0.9
107.04953	3.2
109.02850	1.6
109.06548	5.6
110.75943	0.9
115.05434	2.6
116.06261	0.9
117.07030	1.7
119.08609	1.2
121.06511	2.5
121.10156	4.2
122.03664	10.0
129.07024	3.5
131.04903	3.3
131.08627	1.4
133.02876	1.3
133.06523	2.9
133.10124	1.2
137.05989	100.0
144.05754	4.7
146.03633	0.9
147.04411	3.4
147.08095	0.9
149.04974	1.0
149.06035	5.2
149.09596	2.7
151.07547	1.6
155.04875	4.3
159.08061	3.6
161.06010	10.0
162.05490	1.8
163.07535	2.0
165.07033	2.3
167.07176	1.4
169.06494	1.4
172.05206	4.6
173.05936	1.3
175.07626	1.8
177.05460	2.5
178.07895	1.1
179.08467	1.9
187.07561	28.9
188.08238	1.8
189.05510	1.2
189.07074	2.7
189.08949	1.2
190.07790	12.9
191.07074	2.4
191.08565	25.7
193.06436	1.4
196.05284	0.9
197.05984	0.9
201.07072	1.2
201.09209	1.2
202.07782	2.8
205.06451	1.4
207.08139	4.2
208.06090	1.4
208.08896	6.7
209.06061	0.9
209.09618	1.4
218.07336	7.6
219.08063	37.6
220.08826	4.1
221.05975	2.8
221.09697	1.0
223.11057	1.0
225.09206	1.3
227.06882	1.1
233.09880	2.4
235.07594	6.5
236.08348	10.3
237.09219	1.3
239.10744	0.8
240.07848	2.9
246.06595	1.4
247.07564	18.9
247.09944	1.1
248.08279	3.2
249.05496	1.5
249.09178	1.7
250.09979	1.3
251.10706	45.8
253.08595	5.6
257.08054	0.9
261.09094	4.5
263.07117	2.8
264.07819	8.8
265.08603	2.3
267.10223	2.6
268.07339	2.1
268.10995	1.8
270.08853	1.6
279.10178	51.3
280.10828	4.4
281.08087	8.6
283.09641	6.7
283.13129	1.8
293.11542	1.1
296.10471	9.9
311.12778	64.4
312.13168	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
55.01862	3.4
55.05496	4.7
57.03434	3.7
60.27010	1.4
65.03927	3.0
67.05489	2.1
68.66724	1.6
69.03432	12.8
69.07064	2.4
69.42410	10.6
71.04977	2.1
79.05093	1.8
79.05503	26.4
81.03425	13.0
81.07037	6.7
85.02924	8.5
87.04445	1.9
91.05495	26.3
93.07050	55.2
94.04165	6.0
95.04965	5.3
95.08593	3.0
97.02866	5.0
97.10146	2.0
99.04405	1.7
101.29835	1.5
103.05444	4.3
105.07028	21.2
107.04931	5.6
107.08613	16.6
107.56583	1.5
109.02864	6.3
109.06508	7.2
109.10128	1.9
111.04463	2.1
111.08004	1.5
115.05421	4.6
116.06207	2.6
117.06982	2.8
119.08589	10.4
121.06474	5.5
121.10153	42.3
122.03674	10.8
123.04445	2.3
127.03922	3.7
128.06183	2.0
129.05418	1.7
129.06969	5.8
131.04895	5.1
131.08578	9.5
133.02863	12.6
133.06470	5.3
133.07484	1.5
137.05991	100.0
144.05695	3.7
145.06372	1.7
145.10104	3.8
147.04358	4.7
147.08025	5.3
147.70648	2.2
149.05956	5.9
149.09633	22.1
151.07466	2.2
155.04900	6.4
155.06062	1.9
157.06529	1.5
157.10161	2.5
159.08096	8.4
159.11656	2.6
161.05983	14.1
161.09613	1.8
163.07553	2.8
163.11169	4.7
165.06961	5.0
167.10680	4.8
169.10143	2.2
172.05223	3.2
175.07489	1.8
175.11090	1.6
179.10675	2.3
180.09196	2.5
185.13216	1.9
187.05913	2.1
187.07555	35.7
187.11282	2.3
188.08304	3.1
189.06941	7.0
190.07777	22.3
191.08574	42.8
191.10301	2.9
193.06451	1.9
195.08096	1.8
202.07713	3.7
203.08566	1.8
205.06441	3.4
207.08072	8.4
208.08820	7.9
211.07327	1.8
218.07294	16.9
219.08072	61.7
220.08710	5.7
221.05989	3.1
225.09091	2.3
233.09576	4.9
233.11830	1.5
235.07442	10.3
236.08351	15.6
236.90451	1.7
237.09024	4.8
239.17883	5.4
240.07748	2.3
240.80687	1.7
246.06717	2.5
247.07571	29.1
248.08138	3.3
249.05409	2.2
250.06001	2.1
250.09888	1.7
251.10693	79.4
253.08539	7.0
255.06580	2.0
261.09006	5.9
263.07034	3.1
264.07840	10.4
265.08667	7.6
267.09866	1.7
268.07199	2.1
268.10944	2.3
278.09210	2.8
279.10196	71.5
280.10849	7.2
281.08148	10.3
283.09586	5.4
283.13098	3.3
293.11328	2.4
293.14157	2.4
295.09543	2.1
296.10437	14.9
311.05917	7.7
311.09464	4.6
311.12680	93.3
311.23615	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
69.03410	1.0
69.99667	1.5
70.00009	4.1
79.05495	4.9
80.82603	0.9
81.03424	2.0
81.07040	3.1
86.16494	0.9
91.05495	14.4
93.07030	2.5
94.04193	4.5
95.04995	1.3
103.05466	2.3
105.07031	9.8
107.04955	3.7
107.08576	1.6
109.06524	5.8
111.16998	1.1
115.05462	2.9
116.06262	1.6
117.07009	1.4
118.04115	0.9
118.96246	1.0
121.06497	1.4
121.10134	1.5
122.03671	11.8
123.04459	1.3
128.06239	2.9
129.07001	5.3
131.04929	3.0
131.08586	1.4
133.06496	7.2
135.04448	1.3
137.05991	100.0
144.05705	3.4
145.06525	1.3
147.04468	1.6
147.08054	1.4
149.05989	6.3
149.09615	2.9
151.07587	2.1
155.04936	7.4
156.05667	0.9
159.08064	9.8
161.05997	17.2
163.07498	2.0
165.06984	2.9
172.05200	2.4
175.07532	4.3
178.07793	1.2
179.08540	2.1
180.09308	2.1
181.06529	1.1
187.07556	27.8
189.07011	7.6
189.08723	1.9
190.06151	2.1
190.07782	27.8
191.08566	54.0
193.06491	1.1
194.07257	1.4
201.07021	2.0
202.07794	1.6
203.08633	2.3
205.06490	3.8
205.10170	1.1
207.08031	5.9
208.08824	8.3
211.07556	1.1
215.03859	1.0
215.08586	1.3
217.06557	1.7
218.07335	15.6
219.08067	71.7
220.08826	6.9
221.05995	3.5
221.09647	1.0
223.11148	1.5
225.09007	1.6
229.07584	1.3
231.08203	1.2
233.09586	2.0
235.07530	7.6
236.08368	15.9
237.09091	2.7
246.06792	1.9
247.07564	27.8
247.09964	2.1
248.08424	4.9
249.05446	1.5
249.09186	1.2
250.10004	1.4
251.10698	94.8
252.62338	1.0
253.08629	7.9
261.09158	3.5
263.07104	3.2
264.07837	8.9
265.08691	5.8
267.10300	1.3
268.07263	1.2
268.11035	1.5
269.46661	1.0
279.10190	70.0
280.10760	5.2
281.08057	9.3
283.10004	1.1
283.13242	2.3
293.08087	4.4
293.11719	2.7
295.09769	1.4
296.10477	10.6
309.11063	1.8
311.05475	2.4
311.12790	75.8
312.13141	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphyrin
Peak:m/z	Relative Intensity
55.01880	2.2
69.03410	1.0
69.99667	1.5
70.00009	4.1
79.05495	4.9
80.82603	0.9
81.03424	2.0
81.07040	3.1
86.16494	0.9
91.05495	14.4
93.07030	2.5
94.04193	4.5
95.04995	1.3
103.05466	2.3
105.07031	9.8
107.04955	3.7
107.08576	1.6
109.06524	5.8
111.16998	1.1
115.05462	2.9
116.06262	1.6
117.07009	1.4
118.04115	0.9
118.96246	1.0
121.06497	1.4
121.10134	1.5
122.03671	11.8
123.04459	1.3
128.06239	2.9
129.07001	5.3
131.04929	3.0
131.08586	1.4
133.06496	7.2
135.04448	1.3
137.05991	100.0
144.05705	3.4
145.06525	1.3
147.04468	1.6
147.08054	1.4
149.05989	6.3
149.09615	2.9
151.07587	2.1
155.04936	7.4
156.05667	0.9
159.08064	9.8
161.05997	17.2
163.07498	2.0
165.06984	2.9
172.05200	2.4
175.07532	4.3
178.07793	1.2
179.08540	2.1
180.09308	2.1
181.06529	1.1
187.07556	27.8
189.07011	7.6
189.08723	1.9
190.06151	2.1
190.07782	27.8
191.08566	54.0
193.06491	1.1
194.07257	1.4
201.07021	2.0
202.07794	1.6
203.08633	2.3
205.06490	3.8
205.10170	1.1
207.08031	5.9
208.08824	8.3
211.07556	1.1
215.03859	1.0
215.08586	1.3
217.06557	1.7
218.07335	15.6
219.08067	71.7
220.08826	6.9
221.05995	3.5
221.09647	1.0
223.11148	1.5
225.09007	1.6
229.07584	1.3
231.08203	1.2
233.09586	2.0
235.07530	7.6
236.08368	15.9
237.09091	2.7
246.06792	1.9
247.07564	27.8
247.09964	2.1
248.08424	4.9
249.05446	1.5
249.09186	1.2
250.10004	1.4
251.10698	94.8
252.62338	1.0
253.08629	7.9
261.09158	3.5
263.07104	3.2
264.07837	8.9
265.08691	5.8
267.10300	1.3
268.07263	1.2
268.11035	1.5
269.46661	1.0
279.10190	70.0
280.10760	5.2
281.08057	9.3
283.10004	1.1
283.13242	2.3
293.08087	4.4
293.11719	2.7
295.09769	1.4
296.10477	10.6
309.11063	1.8
311.05475	2.4
311.12790	75.8
312.13141	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.5
57.03423	3.7
57.07071	6.2
61.02930	4.0
67.05495	12.3
69.03418	14.1
71.04986	12.4
71.28730	3.7
73.02897	5.7
81.03405	5.1
85.02913	47.0
85.06517	4.6
95.04981	17.1
97.02880	13.6
109.02898	4.2
113.06015	55.7
119.89767	3.0
120.08112	9.0
127.03899	16.4
131.07051	100.0
136.06186	5.0
145.05006	15.6
147.04430	10.2
148.04753	6.2
163.03896	3.7
232.32703	3.2
285.62119	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01883	5.5
55.05514	3.9
56.96566	13.9
57.03440	11.6
61.02922	8.0
62.74903	2.8
67.05486	2.7
69.03436	36.7
70.04378	8.5
70.04808	4.5
71.01334	4.4
71.04979	3.2
73.02918	11.1
79.05482	5.5
81.03420	19.5
82.46075	2.5
83.04995	5.2
84.96037	2.6
85.02908	24.3
91.05479	7.1
97.02898	49.1
98.97586	18.5
99.04504	2.4
103.03960	4.3
103.05476	10.9
107.04969	8.5
109.02884	7.3
110.97561	6.3
111.04479	3.3
115.03944	10.2
115.05457	4.8
116.98602	4.4
117.06977	5.0
119.04948	13.5
120.01542	2.4
120.08106	3.9
121.02892	2.3
121.06556	5.4
121.08418	5.7
122.03666	6.9
123.04457	2.5
127.03929	18.6
128.98586	3.6
129.05438	4.1
131.04918	20.3
133.02882	3.8
133.07600	5.2
135.04395	6.5
137.05988	100.0
141.07040	10.7
143.04997	6.5
145.04977	3.2
145.06471	5.2
147.04420	19.3
149.02133	7.1
149.05994	20.0
149.07040	3.3
151.03902	8.3
151.07555	10.6
155.04846	2.9
159.04454	4.7
160.05183	6.4
161.05936	6.7
161.07126	60.1
163.03915	5.7
163.07556	13.5
164.04610	2.6
167.07076	6.8
169.06497	12.6
173.05907	3.6
175.07561	10.4
176.04726	3.4
177.05470	37.3
177.09204	3.2
179.07057	16.0
183.04333	4.3
187.07533	11.0
188.04660	3.4
189.05405	2.5
190.06407	3.9
191.05406	4.4
191.06995	36.7
193.04471	11.3
197.06015	8.6
200.04723	3.5
201.08968	3.6
203.07037	10.5
207.06618	3.8
213.05510	3.7
215.07082	9.5
219.01677	2.7
221.08090	6.7
229.08466	15.1
233.08118	10.5
237.02933	3.8
239.08289	2.7
241.03993	3.8
245.09187	9.9
257.05566	2.3
257.09024	16.2
275.09723	8.9
293.10669	12.4
311.07425	21.8
311.11414	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	309.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	54.8
57.03444	6.4
57.07077	39.8
67.05504	42.2
67.21390	6.1
69.07078	97.1
71.08630	22.9
71.50193	9.3
79.05490	14.5
81.07056	93.7
83.08630	50.7
85.06547	12.6
85.10191	20.1
95.08620	100.0
97.10168	52.5
98.98489	13.1
99.08041	7.2
109.10154	53.5
111.11742	37.9
121.10156	9.7
123.11723	23.1
125.13287	14.7
135.11705	8.4
137.13287	12.6
151.14879	12.3
180.04457	7.6
182.04239	11.1
202.00244	7.2
204.08795	21.7
205.09048	21.4
238.01180	7.3
285.02524	7.4
286.02850	24.4
287.02600	33.9
309.22412	10.4
309.29852	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
54.08221	0.8
55.01880	1.3
55.05518	30.8
57.03424	1.7
57.07081	7.0
59.04998	3.5
64.75716	1.0
65.03953	1.0
65.31222	1.0
67.05511	17.1
67.44073	0.8
69.03432	5.7
69.07075	100.0
70.74203	1.1
70.74541	2.0
71.05003	2.2
71.08607	1.4
79.05499	10.8
81.03410	3.6
81.07063	71.5
83.08167	1.3
83.08624	18.9
85.02904	2.2
85.06543	5.4
91.05491	9.9
93.07050	15.7
95.04998	1.4
95.08614	59.3
97.02905	1.0
97.06545	6.0
97.10194	5.2
98.98486	2.4
99.08100	12.1
105.07050	6.0
107.08609	14.2
109.02863	2.1
109.06522	2.1
109.10169	24.1
111.08057	3.6
111.11732	26.3
113.09656	1.6
117.07003	1.9
119.04949	15.6
119.08603	7.0
121.10155	14.1
123.11715	9.7
125.09615	1.4
127.03921	1.8
127.11263	1.3
129.06972	1.2
129.12735	1.8
131.04880	1.2
131.08607	1.4
131.27538	1.0
133.10130	4.8
135.11699	9.9
137.09647	1.4
137.13264	32.8
138.13524	0.9
139.11198	17.2
147.04431	54.8
147.11661	2.9
148.04781	1.5
149.13287	11.9
151.14812	1.4
155.10553	1.1
157.12193	1.4
161.13239	3.4
163.14867	6.8
165.05510	1.6
167.14310	2.6
169.10115	1.5
175.14911	1.3
177.16423	2.7
178.07877	1.2
185.13223	1.0
185.15361	0.9
189.06993	2.2
189.16290	1.0
191.17998	2.5
203.08623	1.2
205.06400	2.3
206.07184	3.0
209.19038	2.9
213.18352	1.4
217.06566	0.9
218.07277	1.2
219.08014	1.4
221.09686	2.5
221.18932	2.3
223.07477	1.8
227.20068	4.5
234.06776	6.4
235.07439	2.7
239.20004	1.8
239.60385	0.9
249.09177	7.2
251.07098	4.6
262.06290	3.1
265.08563	1.2
266.09393	2.9
273.25696	1.1
277.08609	17.2
278.09109	2.0
279.06488	1.8
281.11749	10.7
291.08618	3.6
291.26794	6.8
294.08798	4.8
309.07794	1.8
309.11227	23.6
309.21994	2.6
309.27963	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	309.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03942	2.5
55.01869	1.2
55.05510	15.9
57.03428	1.5
57.07079	12.1
59.04995	2.4
65.03936	2.0
67.05506	20.7
68.01041	0.8
69.03417	7.0
69.07070	58.8
71.04982	1.6
71.08601	1.1
71.50040	1.2
73.06576	2.0
75.12858	0.9
79.05495	11.9
81.03430	8.1
81.07057	92.5
83.04984	2.2
83.08616	13.9
83.50894	0.8
85.02885	4.0
85.06548	6.9
90.72501	0.8
91.05484	15.8
93.06489	1.3
93.07047	16.8
94.49246	0.9
95.04946	3.0
95.08608	36.5
97.02874	2.1
97.06536	7.9
97.10161	2.3
97.69450	1.0
99.08094	1.6
99.39561	0.9
104.07458	1.0
105.03367	1.7
105.07032	4.5
107.08589	16.8
109.02863	3.6
109.06506	1.6
109.10156	14.7
111.08071	6.3
111.11734	14.4
113.09665	1.3
119.04944	24.6
119.08579	3.8
121.10150	7.6
123.11707	100.0
125.09621	1.8
125.13283	2.1
127.03927	1.2
129.07004	0.8
129.12720	1.3
131.04924	1.3
131.08510	1.5
133.10104	1.8
135.11691	13.2
137.13277	4.1
139.11143	1.9
143.08560	1.3
147.04411	95.3
147.11705	1.5
149.13263	6.6
149.54243	0.8
153.12747	19.1
163.03886	1.3
163.14777	1.5
165.05505	1.7
171.11751	1.6
171.13885	1.1
173.08025	1.0
179.14255	1.0
187.07574	1.6
189.06984	1.4
203.18030	1.1
206.07330	2.7
217.06575	1.5
218.07297	0.9
221.09485	1.5
234.06761	6.3
235.07582	1.5
249.09151	4.7
251.07056	2.8
252.73361	0.9
262.06274	1.3
263.07022	1.0
266.09396	1.3
277.08560	12.1
278.09219	1.2
281.11844	6.4
291.08560	5.6
291.19702	1.2
291.26791	1.6
294.08804	3.6
309.11298	15.9
309.22000	2.6
309.28015	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	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35835	2.4
53.03930	2.8
55.01876	4.1
55.05507	22.5
57.03432	7.9
57.07067	6.1
59.05023	2.9
64.07413	2.6
65.03924	3.1
65.14510	2.6
65.37468	2.5
67.05505	53.0
69.07068	24.1
69.29176	22.8
71.04984	3.2
71.08635	55.8
79.05502	47.5
81.03398	9.8
81.06596	4.2
81.07060	63.2
83.04992	13.2
83.08655	14.2
85.06578	3.9
91.05470	25.1
93.07051	66.1
95.04953	11.4
95.08607	41.4
97.06533	12.0
97.10139	7.8
98.98425	2.6
99.08097	44.6
105.07043	21.3
107.04943	6.9
107.08595	38.7
109.06512	3.1
109.10187	15.7
111.08073	6.2
117.07012	5.3
119.08583	18.3
121.06545	3.6
121.10152	34.1
123.04438	7.2
123.08071	3.4
123.11671	3.7
129.07063	4.9
131.08545	7.5
133.10129	13.6
135.11700	45.6
137.09622	5.2
139.31432	2.4
140.37770	2.6
141.09161	3.6
143.08539	4.5
145.10114	5.8
147.04453	3.2
147.11679	8.1
149.13263	10.7
151.11177	21.4
153.12752	4.6
157.10127	3.6
159.11708	4.8
161.13219	13.7
163.11183	9.5
175.14726	3.3
177.12785	6.4
179.14316	100.0
185.13301	2.9
189.12671	4.1
195.13812	5.3
235.13205	4.0
235.16942	5.3
259.20569	8.9
277.21619	47.1
309.17255	4.2
309.24738	5.4
309.29666	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.35835	2.4
53.03930	2.8
55.01876	4.1
55.05507	22.5
57.03432	7.9
57.07067	6.1
59.05023	2.9
64.07413	2.6
65.03924	3.1
65.14510	2.6
65.37468	2.5
67.05505	53.0
69.07068	24.1
69.29176	22.8
71.04984	3.2
71.08635	55.8
79.05502	47.5
81.03398	9.8
81.06596	4.2
81.07060	63.2
83.04992	13.2
83.08655	14.2
85.06578	3.9
91.05470	25.1
93.07051	66.1
95.04953	11.4
95.08607	41.4
97.06533	12.0
97.10139	7.8
98.98425	2.6
99.08097	44.6
105.07043	21.3
107.04943	6.9
107.08595	38.7
109.06512	3.1
109.10187	15.7
111.08073	6.2
117.07012	5.3
119.08583	18.3
121.06545	3.6
121.10152	34.1
123.04438	7.2
123.08071	3.4
123.11671	3.7
129.07063	4.9
131.08545	7.5
133.10129	13.6
135.11700	45.6
137.09622	5.2
139.31432	2.4
140.37770	2.6
141.09161	3.6
143.08539	4.5
145.10114	5.8
147.04453	3.2
147.11679	8.1
149.13263	10.7
151.11177	21.4
153.12752	4.6
157.10127	3.6
159.11708	4.8
161.13219	13.7
163.11183	9.5
175.14726	3.3
177.12785	6.4
179.14316	100.0
185.13301	2.9
189.12671	4.1
195.13812	5.3
235.13205	4.0
235.16942	5.3
259.20569	8.9
277.21619	47.1
309.17255	4.2
309.24738	5.4
309.29666	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	309.2214
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03955	3.6
54.69970	1.8
55.01862	3.1
55.05518	11.4
57.03425	5.1
57.07066	2.7
59.17726	1.5
65.03934	2.2
67.05508	21.0
69.03449	1.8
69.07076	16.9
69.21622	17.9
70.95853	2.4
71.04971	2.2
72.93775	5.9
79.05502	23.1
81.03397	3.8
81.07063	38.1
83.04987	2.3
83.08614	7.7
83.96761	1.7
91.05486	30.4
93.06494	3.5
93.07055	43.8
93.32214	1.9
95.04978	33.6
95.07998	2.1
95.08609	29.1
97.06550	11.9
98.98434	2.1
103.05471	3.0
105.04546	2.0
105.07033	62.0
107.04943	2.5
107.08591	28.6
109.02854	2.1
109.06512	7.0
109.10160	17.4
116.24831	1.7
116.96344	4.7
117.07027	11.5
119.08585	43.3
121.06496	7.9
121.10150	70.4
123.08070	8.4
123.11697	6.9
128.06212	4.9
129.07021	9.4
130.07753	4.1
131.08571	30.5
132.95824	4.6
133.10141	29.0
134.97417	2.5
135.08025	5.8
135.11732	10.4
141.06987	5.4
142.07788	14.0
143.08559	21.2
143.24034	1.6
144.09317	5.0
144.95844	5.3
145.10147	34.7
146.97339	4.1
147.04453	2.2
147.08044	3.8
147.11729	9.4
149.09555	2.4
149.13287	2.4
149.61887	1.6
150.96907	1.9
154.07718	4.2
155.08539	9.9
156.09346	9.4
157.10141	43.1
158.10933	4.2
158.65273	1.6
158.97395	4.2
159.08070	2.5
159.11725	26.4
161.09639	5.4
161.13278	5.7
164.98460	31.9
167.08606	4.8
168.09425	3.0
168.95815	3.9
169.10121	17.1
170.10922	3.6
171.11700	23.4
173.09637	3.4
173.13269	14.8
175.11244	3.0
175.14838	4.9
179.08549	4.8
180.09280	2.1
181.10133	6.8
182.10938	5.9
183.11673	14.6
185.09525	2.2
185.13194	9.2
187.11186	7.5
187.14816	14.1
189.16515	1.7
192.09264	2.0
193.10155	5.3
194.11008	2.0
195.11737	8.8
196.12529	3.3
197.13335	13.2
198.96999	2.2
199.14845	8.4
201.12642	3.4
201.16255	3.8
206.10828	2.5
206.99551	8.1
207.11652	7.2
208.12465	3.5
209.13240	10.7
210.13945	2.1
211.11166	2.7
211.14845	12.6
213.16470	4.4
215.14392	3.3
218.99573	3.7
220.12489	2.5
221.01050	3.3
221.13255	6.1
223.14847	7.2
225.16353	7.8
230.99541	5.6
233.13275	2.0
234.98892	1.9
235.14793	7.1
237.16309	2.4
239.14250	4.3
239.17906	3.9
241.15471	1.9
242.99512	3.0
247.14908	3.1
249.00572	6.2
249.16370	4.0
251.17984	2.0
253.15874	8.0
253.19580	2.5
265.19583	3.8
279.17316	2.3
281.22623	7.7
291.21021	12.7
294.19394	2.0
309.02591	6.9
309.22107	100.0
309.25333	5.7
319.58557	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03949	5.5
55.01874	11.5
55.05514	33.7
56.96559	9.6
57.03439	17.9
57.07079	6.1
59.05003	6.5
67.05511	34.8
69.03426	7.2
69.07069	29.7
71.50094	3.1
79.05500	32.4
81.03409	11.5
81.07061	56.4
83.04996	6.9
83.08615	24.4
85.02896	3.6
85.06537	7.9
91.05487	37.0
93.07045	25.3
95.04981	18.2
95.08625	36.2
97.06528	7.0
97.10172	16.4
98.98460	10.1
99.08115	14.0
100.11253	8.9
105.07024	24.7
107.04958	11.8
107.08591	24.6
109.02857	3.5
109.06509	13.5
109.10152	19.2
111.04438	6.3
111.11706	4.3
116.95273	2.9
117.07023	13.6
119.04947	28.1
119.08598	39.0
121.06538	6.7
121.10160	13.0
123.08091	6.4
123.10846	3.0
123.11698	11.1
125.09618	12.9
128.06259	3.3
129.07024	6.2
130.07776	3.3
131.08565	17.7
133.10126	15.2
135.08054	8.4
135.11671	4.9
137.09624	5.1
137.13297	4.1
142.07759	3.8
143.08562	10.4
145.10149	16.4
147.04422	100.0
147.08057	12.1
147.11684	10.7
149.09506	4.2
149.13300	5.3
155.01041	8.6
155.08527	3.3
157.10150	25.2
159.11656	13.5
161.09692	4.8
161.13286	4.1
165.05484	4.6
169.10141	7.2
171.11708	11.8
172.88589	3.3
173.13264	6.5
175.11211	4.6
175.14839	3.4
182.15422	20.0
183.11755	7.0
185.13258	7.3
187.11156	3.0
187.14688	3.6
189.11194	5.1
195.11673	4.5
199.14769	5.5
201.60411	3.1
210.14911	21.0
213.12744	5.0
213.16248	3.9
219.13985	3.3
221.13278	5.1
231.20258	3.0
237.16457	3.9
249.06871	7.0
255.17415	3.2
273.18518	20.9
291.19458	32.1
309.11169	3.4
309.22018	34.2
309.25674	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03949	12.7
55.01869	7.8
55.05515	51.2
57.03451	12.2
57.07058	2.4
59.04994	3.8
67.05505	39.1
69.03439	11.5
69.07078	15.8
69.85455	11.9
71.05009	11.0
77.03918	2.0
79.05498	93.8
81.03429	23.3
81.07059	45.6
83.04987	5.0
83.08630	23.0
85.02898	4.3
85.06535	8.1
86.09677	3.0
91.04920	2.3
91.05487	44.2
93.07047	100.0
95.04961	18.6
95.08611	23.5
97.06527	11.1
97.10175	40.3
98.98465	4.7
99.08074	8.9
105.04495	3.8
105.07044	20.3
107.04947	6.3
107.08618	21.6
109.02827	2.6
109.06516	13.5
109.10175	7.6
111.08094	3.7
113.06005	21.1
117.07013	7.4
119.04948	27.0
119.08615	17.5
121.06522	4.4
121.09344	2.9
121.10151	35.2
123.04419	2.9
123.08082	14.3
123.11659	4.3
125.09637	32.6
127.07593	2.2
129.07043	5.2
131.08539	13.2
133.06517	2.8
133.10144	12.9
135.08084	10.7
135.11703	10.5
141.07036	3.4
143.08597	5.7
145.06526	4.4
145.10126	9.3
147.03252	4.3
147.04422	85.3
147.08061	5.9
147.11700	5.8
149.09586	5.2
149.13251	4.3
155.01074	2.5
157.10117	13.2
159.11710	9.2
161.09596	3.7
163.11134	2.8
165.05530	4.2
165.09187	3.5
165.12811	2.1
169.10103	6.3
171.10275	3.6
171.11667	5.8
173.13274	3.2
175.14883	2.4
177.12727	4.1
177.16447	4.2
180.01192	2.3
181.10123	3.0
183.11632	3.4
185.13217	4.0
187.11224	4.4
189.11218	24.8
195.11720	2.8
195.13818	3.8
199.14757	3.4
206.07210	3.0
211.37691	2.4
213.16391	2.3
217.15768	3.1
219.13791	2.5
221.09729	2.2
223.13268	7.0
227.17979	2.1
234.06705	4.9
249.09164	5.7
273.18488	16.2
277.08658	11.1
281.11838	3.2
291.08569	4.2
291.19543	35.9
291.22531	3.5
292.01886	2.5
294.08661	3.0
309.11362	12.7
309.14340	1.9
309.20270	13.7
309.25793	8.8
309.61786	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01871	0.7
55.05519	1.1
57.03437	6.0
60.60326	0.5
61.02932	1.2
64.67954	0.7
65.03938	1.0
67.05482	0.7
67.55646	0.5
69.03438	5.4
71.01363	1.2
71.04998	15.3
71.09903	1.0
71.10265	0.7
73.02909	3.5
75.04489	6.4
75.19065	0.6
81.03427	9.9
83.04974	3.1
85.02911	52.5
87.04473	1.2
91.05487	10.1
93.45059	0.6
97.02900	4.0
98.98468	1.4
99.04453	2.8
101.06062	0.9
103.03962	0.6
109.02878	4.9
111.04427	1.7
117.03436	0.5
119.04951	26.5
119.08525	0.8
122.40043	0.6
127.03928	3.6
129.05505	9.6
131.08481	0.7
132.95819	1.0
135.04425	0.7
145.04979	1.0
147.04422	100.0
147.06497	5.7
163.03975	1.4
165.05501	3.7
166.41588	0.6
171.06602	0.7
177.05511	1.1
181.04962	1.5
208.02884	7.6
234.98944	1.3
265.05075	1.2
277.08762	0.7
291.08704	7.8
309.07239	1.0
309.10202	1.3
326.30356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03944	8.5
55.01875	19.6
55.05518	32.1
56.96566	3.7
57.03431	9.1
57.07064	5.6
58.07410	3.1
65.03930	3.6
67.05188	5.0
67.05512	74.4
69.03412	5.5
69.07073	27.0
70.03522	12.1
71.04983	10.2
79.05500	46.5
81.03423	8.7
81.07062	100.0
83.04974	15.0
83.08610	13.5
85.02895	3.5
85.06541	6.8
88.35105	3.2
91.05491	60.9
93.07046	51.9
95.04984	16.8
95.08609	49.5
97.06561	4.0
97.10183	3.1
98.98440	4.8
99.04462	6.2
105.07050	46.4
107.04968	11.1
107.08601	56.2
108.30116	3.4
109.06516	12.3
109.10167	73.3
110.72681	3.3
111.04453	7.4
111.08080	8.9
117.07028	11.4
119.08601	27.4
121.06483	6.9
121.10161	18.9
123.08103	17.5
123.11731	6.6
125.09612	5.4
128.06139	3.7
129.07024	5.4
131.08595	17.9
133.06470	4.4
133.10139	81.2
135.08044	9.5
135.11691	8.2
137.09659	4.4
140.60625	2.7
142.07730	2.8
143.08545	13.7
145.10155	19.7
147.04445	9.1
147.08070	8.3
147.11678	8.0
149.09624	8.0
151.11189	55.4
151.18787	2.9
155.08537	3.7
157.10129	13.0
159.11676	8.8
161.09615	10.6
161.13278	4.5
169.10139	3.6
169.12236	9.3
171.11687	5.6
173.09627	3.4
173.13243	3.7
175.11172	5.9
177.12888	4.7
183.11667	5.6
185.13243	3.6
187.14857	4.8
190.78647	3.0
197.13249	5.6
209.13289	5.1
215.12811	4.8
225.16422	3.9
227.17912	3.1
245.19043	12.8
263.20050	6.1
273.18475	32.1
291.19537	54.9
291.22537	4.9
309.20425	16.3
309.25687	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	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.7
55.01871	1.2
55.05513	2.3
57.03441	11.6
59.05000	1.3
61.02920	2.0
67.05501	0.8
69.03436	4.1
71.01351	2.3
71.04997	27.1
71.48605	1.0
73.02911	5.3
75.04484	14.1
77.93626	0.6
79.05511	0.7
81.03422	4.8
82.32698	0.6
83.04980	5.6
85.02909	100.0
87.04487	2.1
91.05485	6.2
95.04972	1.1
97.02907	5.9
98.97611	0.9
99.04461	2.5
101.06046	1.6
103.03973	0.8
105.07004	0.7
109.02882	2.8
111.04425	4.0
119.04948	13.4
119.08566	0.7
125.52371	0.7
127.03934	4.2
129.05486	20.1
129.06415	1.3
143.05991	0.7
145.02872	1.3
145.04979	1.8
147.04422	51.2
147.06447	13.8
156.85788	0.7
165.05525	1.7
177.05467	1.6
196.10599	0.7
213.26501	0.7
291.08670	2.5
294.08890	0.9
300.35785	0.7
309.11469	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	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86980	0.3
53.03942	1.0
55.05506	1.0
57.03426	1.1
59.20526	0.3
65.03951	0.9
67.05496	1.5
69.03430	4.1
69.07059	1.3
70.84034	0.7
70.84374	0.4
71.04980	0.9
73.02906	0.5
77.95195	0.3
79.05484	1.0
79.53156	0.3
81.03422	9.4
81.07054	3.3
83.08607	0.7
85.02905	3.7
89.11075	0.4
91.05480	10.5
93.07034	1.2
95.08611	3.0
97.02892	0.7
97.10191	1.0
99.04444	1.1
100.11253	0.6
101.02410	0.3
105.07066	0.5
107.08611	1.3
109.02874	3.4
109.10112	1.8
112.23603	0.4
119.04948	26.6
119.08572	0.7
121.10163	0.6
123.11716	0.9
127.03930	1.0
143.10713	0.5
143.39861	0.4
147.04417	100.0
148.04741	0.5
149.13327	0.6
165.05478	3.0
182.15439	0.4
201.48972	0.4
231.13655	0.4
234.06836	1.3
249.09126	1.0
262.06189	0.5
277.08588	1.9
281.11905	0.5
291.08618	7.8
294.08798	0.5
309.11395	2.5
309.18372	0.4
309.27814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83920	0.8
53.03954	2.0
55.01863	1.6
55.05517	8.8
57.03439	12.0
57.07082	1.0
57.95051	0.9
59.05008	1.4
61.02912	1.8
65.03936	1.2
67.05515	1.6
69.03439	6.4
69.07071	1.4
71.01378	1.2
71.05000	24.9
71.08398	0.9
73.02929	5.8
75.04482	11.8
79.05490	1.8
80.86359	0.9
81.03423	9.2
81.07049	1.9
83.04989	7.2
83.08632	1.9
85.02911	100.0
87.04481	2.6
91.05489	8.4
93.07022	1.9
95.04966	2.7
97.02894	6.8
98.09705	2.5
98.98476	2.1
99.04442	2.6
100.07631	2.1
100.11250	3.4
101.05985	1.1
107.04981	1.1
107.08612	1.6
108.65101	0.8
109.02866	5.0
111.04469	3.5
111.81213	0.7
112.07583	1.1
119.04960	15.2
121.10110	0.9
122.31820	0.8
123.04470	2.2
126.09155	2.6
127.03924	4.0
129.05490	21.3
133.10133	1.0
137.09639	1.0
145.04964	2.6
145.10161	1.1
147.04419	66.8
147.06371	10.6
153.49109	0.8
155.01047	1.9
165.05539	2.3
173.09633	1.9
177.05510	1.2
182.15416	15.2
210.14955	4.1
235.13251	1.2
278.77258	1.0
291.08612	6.9
309.11063	1.7
309.21390	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	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.9
55.01855	0.7
55.05505	0.9
57.03432	0.6
65.03941	1.0
67.05482	0.4
69.03433	4.5
69.07063	1.1
71.04984	0.5
81.03424	13.7
81.07061	1.1
81.76991	0.3
85.02918	4.2
91.05492	10.7
93.07061	0.6
93.72539	0.3
95.08611	1.1
97.02892	1.2
97.10160	1.1
98.98457	0.6
99.04453	1.3
109.02888	4.5
109.44326	0.4
112.75224	0.3
119.04953	26.7
119.08545	0.4
123.11752	0.5
127.03930	1.1
147.04420	100.0
148.04829	0.5
165.04317	0.5
165.05510	3.8
165.08928	0.4
186.28719	0.3
234.06769	0.6
262.06381	0.4
277.08655	1.1
281.11865	0.8
291.08621	11.1
298.03586	0.3
309.11325	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.3
53.03936	1.1
55.01874	0.3
55.05508	0.5
57.03430	0.7
65.03931	0.8
65.06004	0.3
67.05515	0.6
69.03441	4.2
69.07067	0.6
69.92107	0.3
71.04990	0.7
71.50094	0.4
73.02938	0.5
81.03427	10.5
81.07057	1.1
82.45899	0.3
85.02916	4.2
91.05490	9.8
93.07083	0.4
95.04987	0.3
95.08611	0.8
97.02884	1.0
98.78558	0.3
98.98412	0.3
99.04472	0.9
105.07047	0.4
107.08637	0.4
109.02895	4.8
109.10170	0.5
119.04955	26.4
119.08578	0.6
127.03963	1.6
143.35455	0.3
147.04425	100.0
148.04750	0.3
163.99619	0.3
165.05511	3.7
206.07312	0.7
217.06570	0.4
217.10153	0.3
219.08192	0.5
221.09644	0.5
234.06761	1.3
235.07332	0.4
248.08276	0.3
249.09178	1.2
251.07150	0.5
255.17479	0.3
262.06516	0.3
263.07031	0.4
266.09283	0.4
277.08670	2.4
281.11700	1.4
291.08679	8.3
294.09015	0.7
309.11237	3.6
309.16718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01880	0.5
57.03429	0.8
57.59800	0.4
61.02914	0.5
62.74733	0.4
65.03936	0.7
69.03146	0.3
69.03438	3.8
71.04973	0.5
73.02928	0.5
81.03425	10.5
85.02908	4.5
91.05484	10.1
97.02886	0.8
99.04462	0.8
109.02886	3.7
119.04951	28.0
124.56631	0.4
127.03950	1.3
129.05405	0.5
147.04416	100.0
148.04752	0.5
153.01854	0.8
165.05498	3.7
219.60944	0.4
279.68033	0.5
291.08652	9.5
309.09814	1.6
317.87650	0.4
321.95215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.2
55.01892	0.4
55.05505	1.1
57.03442	3.0
59.04993	0.4
61.02934	0.5
65.03954	0.6
67.05494	0.5
67.18623	0.3
69.03436	5.9
69.36466	1.3
69.36890	1.7
71.01334	0.5
71.05003	5.5
73.02912	1.6
75.04483	2.2
78.45544	0.3
81.02943	0.7
81.03428	14.2
81.07057	0.5
83.04985	1.0
85.02914	22.5
87.04441	0.6
91.05492	10.6
93.07065	0.5
97.02891	1.8
98.98444	0.5
99.04476	1.6
105.03390	0.5
105.07020	0.4
109.02885	5.0
119.04957	27.0
119.08652	0.4
121.10137	0.5
123.08120	0.4
127.03954	2.4
129.05490	3.7
133.10184	0.6
147.04427	100.0
148.04765	0.8
163.03842	0.7
165.05504	3.6
167.07120	0.4
167.29025	0.3
177.05421	0.7
198.61186	0.4
219.85208	0.4
221.09570	0.6
234.06871	0.6
249.09247	0.6
277.08792	1.1
281.11588	0.5
291.08670	9.7
291.11633	0.5
294.08884	0.6
309.11469	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03957	1.3
55.01869	0.5
55.05504	1.0
57.03431	1.1
57.07059	0.4
59.10740	0.2
65.03943	0.9
67.05499	1.1
67.79675	0.2
69.03436	4.9
69.07076	1.5
69.45648	0.9
69.46062	0.8
71.04990	0.7
79.05493	0.7
81.03425	12.1
81.07066	2.2
83.08631	0.5
85.02449	0.4
85.02917	4.3
85.06543	0.3
88.98627	0.2
91.05486	9.8
93.07043	1.0
95.04971	0.5
95.08620	1.7
97.02889	1.0
98.21561	0.5
99.04449	1.2
100.44025	0.2
105.07005	0.4
107.08611	0.8
109.02896	4.9
109.06476	0.3
109.10156	0.9
111.08102	0.3
119.04953	27.4
119.08549	0.5
121.10181	0.5
123.08053	0.7
123.11710	1.0
125.09600	0.3
127.03940	1.8
129.06982	0.3
133.10144	0.4
135.11681	0.3
135.24983	0.2
147.04422	100.0
148.04739	0.8
149.13281	0.3
165.05525	3.9
178.07820	0.2
189.06961	0.3
202.07652	0.3
203.08717	0.3
206.07426	0.5
217.35458	0.3
223.07637	0.3
234.06796	0.7
235.07600	0.4
236.48306	0.2
249.09151	0.9
251.06897	0.4
262.06210	0.4
266.09549	0.5
277.08646	2.0
281.11682	0.7
291.08591	9.4
291.27060	0.3
294.08939	0.3
309.11386	2.6
309.18140	0.3
309.21872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
57.03425	0.9
65.03934	1.0
65.47742	0.4
66.79738	0.3
67.05504	0.5
67.32104	0.4
69.03431	4.8
69.78449	1.9
71.04984	0.9
81.02939	0.7
81.03423	12.6
81.07056	0.4
85.02908	4.7
91.05487	11.2
95.08611	0.8
95.93731	0.4
97.02901	1.8
98.98428	0.4
99.04478	0.9
107.08593	0.4
109.02880	4.5
109.10207	0.5
114.72786	0.4
119.04947	27.0
119.08562	0.6
127.03941	1.8
137.06058	0.4
144.93703	0.4
147.04417	100.0
148.04825	0.6
155.01073	0.5
165.05501	3.5
165.09108	0.4
189.06989	0.5
206.07263	0.6
207.13191	0.4
234.06744	0.8
249.09320	0.6
251.07074	0.7
277.08621	2.0
280.00079	0.4
281.11816	1.0
291.08627	10.3
309.11349	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03936	3.4
53.66049	1.2
55.01871	3.3
55.05516	19.6
56.96550	2.0
57.03421	4.0
57.07070	3.3
58.62273	1.5
59.05005	3.1
65.03932	1.8
67.05508	27.5
69.03418	2.7
69.06742	1.7
69.07072	23.1
70.01479	3.4
70.01884	4.4
71.04999	10.8
73.06545	2.7
79.05077	2.0
79.05498	27.3
81.03403	3.4
81.07061	38.3
83.04957	2.1
83.08630	7.2
85.06526	4.7
86.09710	8.8
87.10030	2.0
91.05484	35.6
93.07053	35.2
95.04978	7.7
95.08619	26.2
97.06529	10.5
97.10152	5.6
98.21395	1.7
98.98469	8.4
99.08055	3.1
103.05486	2.1
105.07034	46.2
107.04954	4.1
107.08611	27.9
109.06523	23.3
109.09488	1.7
109.10165	22.8
111.08070	4.4
117.07036	11.6
119.08585	39.7
121.02888	8.8
121.03695	1.6
121.06499	9.0
121.10136	16.3
123.08079	15.2
123.11701	5.7
125.09636	2.6
129.07010	3.6
131.08578	13.5
132.10185	3.4
133.10136	26.7
134.10413	1.6
135.08069	12.0
135.11748	7.2
136.08836	2.4
137.09616	11.5
143.08521	4.0
144.09235	1.6
145.10126	14.6
147.08028	3.0
147.11707	19.5
149.09636	8.0
149.13243	5.7
151.11183	22.8
155.00998	4.5
155.08577	3.3
157.10165	6.7
159.11694	11.5
161.09641	2.3
161.13300	6.8
163.03912	1.6
163.11163	10.8
163.14848	2.1
165.12791	8.7
169.10078	5.1
171.11719	6.5
173.13263	7.5
175.11186	2.6
175.14819	4.1
177.12733	6.5
179.14381	3.5
181.10170	1.7
183.11687	4.7
185.13205	3.4
187.11115	2.0
187.14810	5.2
189.12704	2.2
189.74545	1.5
191.14360	2.8
195.11607	3.8
197.13237	4.7
199.14973	1.8
207.11711	2.8
211.14693	2.1
213.05431	2.8
215.18018	1.7
216.08325	1.4
223.14954	2.0
229.19606	6.5
234.14247	1.5
237.16484	3.0
239.18004	10.8
247.20621	5.0
257.19070	13.4
266.15436	2.6
275.20074	51.5
289.21875	2.8
289.25146	2.5
307.09570	4.4
307.22699	100.0
308.22647	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	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01882	8.0
55.05515	29.5
57.03441	11.6
57.07064	3.5
59.48953	1.3
60.32198	1.1
65.03922	2.2
67.05507	23.6
69.03436	6.2
69.07069	15.4
71.04992	2.3
71.50190	1.9
79.05498	23.6
81.03419	14.4
81.07059	50.0
83.04971	5.6
83.08614	14.5
85.06545	3.8
91.05492	20.5
93.07058	20.3
95.04965	8.0
95.08612	42.3
97.02925	1.2
97.06529	15.4
97.10170	15.8
98.98476	1.9
99.04468	1.5
99.08073	1.7
103.05461	2.8
105.07043	11.9
107.04967	7.6
107.08595	20.3
109.02872	3.1
109.06515	14.2
109.10160	22.2
111.04415	1.6
111.08097	3.7
111.11691	3.4
115.05492	1.2
117.03406	1.7
117.07040	5.8
117.22900	1.4
119.08602	8.2
121.06512	100.0
121.10137	10.7
123.04363	1.4
123.08069	3.5
123.11726	8.8
125.06013	1.9
125.09646	8.2
125.13210	1.6
128.06233	1.6
129.07019	3.1
131.08565	6.7
133.06500	2.9
133.10159	6.1
135.04453	2.5
135.08090	8.4
135.11674	5.6
137.09627	6.3
137.13292	4.1
139.11168	1.6
141.06975	1.9
143.08575	4.6
145.06589	2.0
145.10086	7.0
147.08057	7.1
147.11687	4.3
149.09628	2.9
149.13232	3.0
151.07503	3.0
151.14844	4.9
151.39934	1.3
153.08891	1.9
155.00993	2.3
155.08543	2.3
157.10143	3.4
159.08054	30.9
159.11679	3.6
160.05220	1.8
161.09622	5.3
161.13252	3.5
163.03911	14.0
163.07533	3.5
163.11183	1.4
163.14902	2.5
165.09065	1.6
169.10109	1.7
171.11649	1.5
173.09599	2.1
173.13300	2.0
175.07524	3.4
175.11208	2.4
175.14824	1.4
177.09128	1.7
177.16356	1.5
179.08615	1.2
181.02852	1.3
183.11682	3.3
185.09622	4.0
185.13359	1.7
187.14824	2.1
189.06949	1.5
189.11197	2.1
191.08560	1.8
197.09543	1.4
203.07033	3.3
205.15765	1.3
215.14253	2.8
218.07251	3.0
219.08067	3.8
221.06010	1.9
225.16466	1.6
233.13242	1.2
233.15459	4.4
235.07590	1.7
236.08374	1.6
243.17499	2.4
246.06775	3.5
247.07452	8.5
247.09639	1.6
248.08055	1.3
249.05504	4.0
253.15877	8.3
261.09137	2.3
261.18478	3.9
264.07828	7.5
271.16956	7.0
271.24146	2.2
274.06464	1.6
275.07080	1.7
279.10175	4.4
289.17981	34.1
289.25162	2.1
292.07416	5.9
292.10468	1.5
307.09845	20.7
307.18921	10.8
307.26544	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.6
55.01870	34.3
55.05513	72.1
57.03431	11.2
57.07104	4.1
61.70976	3.0
67.05502	73.3
67.05842	5.8
69.03432	8.7
69.07074	38.4
69.18591	4.6
69.19002	30.3
69.24722	2.8
73.95403	3.0
75.02319	2.8
77.79420	2.9
79.05495	100.0
81.03424	16.5
81.07061	81.9
83.04974	15.5
83.08620	23.4
91.04576	3.2
91.05493	51.4
93.07049	61.3
95.04971	12.4
95.08620	37.2
96.77427	3.2
97.06537	39.2
97.10181	43.8
98.98471	7.1
105.07032	49.9
107.04955	37.5
107.08591	68.2
107.09301	4.2
109.06538	12.6
109.10170	15.0
111.08106	8.7
117.07017	18.0
119.08581	30.0
121.06524	7.2
121.10148	20.8
123.08062	3.9
123.11739	9.9
125.09634	59.0
129.07011	5.2
131.08554	22.2
133.10138	34.8
135.08080	17.0
135.11736	12.5
137.06000	5.6
137.09537	5.0
141.73013	3.6
145.10149	15.5
147.11749	19.3
149.09637	65.2
149.13318	7.3
153.09132	11.8
157.10083	3.9
157.12238	5.8
159.11732	15.2
161.13319	9.9
163.11215	4.2
169.12204	3.8
171.11717	3.3
173.13293	6.2
177.12805	6.7
179.14323	9.5
183.11726	6.4
187.11293	3.9
187.13255	5.8
191.61646	3.4
197.13289	5.2
203.12776	37.3
203.14401	4.0
209.15392	4.8
219.17424	22.0
229.19594	8.9
239.18056	3.9
257.19104	12.4
275.20081	78.9
275.22836	5.8
307.23459	8.2
324.83838	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	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03943	9.9
54.28880	3.4
55.01863	12.4
55.05513	43.2
56.96549	10.6
57.03441	35.0
57.07066	8.0
59.05002	3.4
59.65634	3.3
65.03938	5.7
67.05192	3.7
67.05512	48.4
69.03424	13.5
69.07074	33.0
69.98846	18.3
71.04977	14.3
71.05331	3.1
79.05502	52.0
80.58197	3.3
81.03434	19.6
81.07066	72.3
83.01335	5.6
83.04977	12.1
83.08636	18.3
85.06541	11.9
91.05489	50.5
93.07054	56.4
95.04947	16.8
95.08614	64.9
97.06527	24.2
97.10169	17.4
98.98474	15.7
99.04470	4.6
99.08080	10.9
103.05480	4.5
105.07037	51.3
107.04969	29.2
107.08601	45.0
109.06522	77.9
109.09479	4.1
109.10173	38.8
111.08076	9.8
113.06032	5.3
117.07014	17.3
119.08583	55.5
121.02880	47.9
121.03800	5.4
121.06516	32.9
121.10159	28.2
123.08076	23.9
123.11706	12.3
125.05982	8.0
125.09615	14.6
127.07552	5.6
128.06227	3.9
129.07005	16.0
131.08574	36.6
133.06509	8.7
133.10146	36.0
135.08038	28.4
135.11699	12.4
137.05971	7.9
137.09622	16.2
139.07513	14.1
141.06973	8.8
143.08571	14.0
144.09271	4.5
145.06464	5.2
145.10146	35.5
147.08026	11.0
147.11673	21.1
149.09616	13.8
149.13220	11.7
151.07547	11.9
151.11182	6.3
153.09099	6.6
155.00978	6.1
155.08606	7.4
156.09364	3.8
157.06476	7.4
157.10106	18.5
159.08025	11.3
159.11702	25.4
161.09583	11.5
161.13251	10.5
163.03867	4.1
163.07582	24.5
163.11151	11.0
164.11874	3.7
165.09143	5.3
169.10127	12.5
171.10371	5.8
171.11691	28.7
173.09631	12.2
173.13266	22.2
175.11218	10.2
177.09079	5.2
177.12688	6.3
179.08728	5.7
179.10654	3.4
181.10190	5.1
183.11729	10.6
183.39432	3.8
184.12494	4.8
185.09700	4.0
185.13287	10.1
187.14821	29.5
189.11252	6.5
189.12762	6.7
191.14307	8.1
193.12355	5.3
195.11699	8.3
197.13303	14.3
199.14857	8.0
201.12810	17.7
205.15935	20.8
207.13643	3.9
209.13333	5.4
211.14804	7.4
213.05466	15.9
213.16385	7.2
215.14334	12.8
217.12323	5.7
217.15686	3.7
219.13812	14.6
221.11511	4.7
223.14839	4.9
225.16382	5.7
229.15863	6.9
233.15399	13.8
235.13239	10.4
237.16454	4.5
243.17358	7.8
247.17032	5.0
253.15851	6.5
253.19669	6.9
257.14764	3.9
261.18460	10.2
271.16879	16.7
271.20557	28.8
284.16483	6.7
289.17966	63.9
289.21497	12.9
307.09818	31.3
307.18973	100.0
307.23819	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01882	8.0
55.05515	29.5
57.03441	11.6
57.07064	3.5
59.48953	1.3
60.32198	1.1
65.03922	2.2
67.05507	23.6
69.03436	6.2
69.07069	15.4
71.04992	2.3
71.50190	1.9
79.05498	23.6
81.03419	14.4
81.07059	50.0
83.04971	5.6
83.08614	14.5
85.06545	3.8
91.05492	20.5
93.07058	20.3
95.04965	8.0
95.08612	42.3
97.02925	1.2
97.06529	15.4
97.10170	15.8
98.98476	1.9
99.04468	1.5
99.08073	1.7
103.05461	2.8
105.07043	11.9
107.04967	7.6
107.08595	20.3
109.02872	3.1
109.06515	14.2
109.10160	22.2
111.04415	1.6
111.08097	3.7
111.11691	3.4
115.05492	1.2
117.03406	1.7
117.07040	5.8
117.22900	1.4
119.08602	8.2
121.06512	100.0
121.10137	10.7
123.04363	1.4
123.08069	3.5
123.11726	8.8
125.06013	1.9
125.09646	8.2
125.13210	1.6
128.06233	1.6
129.07019	3.1
131.08565	6.7
133.06500	2.9
133.10159	6.1
135.04453	2.5
135.08090	8.4
135.11674	5.6
137.09627	6.3
137.13292	4.1
139.11168	1.6
141.06975	1.9
143.08575	4.6
145.06589	2.0
145.10086	7.0
147.08057	7.1
147.11687	4.3
149.09628	2.9
149.13232	3.0
151.07503	3.0
151.14844	4.9
151.39934	1.3
153.08891	1.9
155.00993	2.3
155.08543	2.3
157.10143	3.4
159.08054	30.9
159.11679	3.6
160.05220	1.8
161.09622	5.3
161.13252	3.5
163.03911	14.0
163.07533	3.5
163.11183	1.4
163.14902	2.5
165.09065	1.6
169.10109	1.7
171.11649	1.5
173.09599	2.1
173.13300	2.0
175.07524	3.4
175.11208	2.4
175.14824	1.4
177.09128	1.7
177.16356	1.5
179.08615	1.2
181.02852	1.3
183.11682	3.3
185.09622	4.0
185.13359	1.7
187.14824	2.1
189.06949	1.5
189.11197	2.1
191.08560	1.8
197.09543	1.4
203.07033	3.3
205.15765	1.3
215.14253	2.8
218.07251	3.0
219.08067	3.8
221.06010	1.9
225.16466	1.6
233.13242	1.2
233.15459	4.4
235.07590	1.7
236.08374	1.6
243.17499	2.4
246.06775	3.5
247.07452	8.5
247.09639	1.6
248.08055	1.3
249.05504	4.0
253.15877	8.3
261.09137	2.3
261.18478	3.9
264.07828	7.5
271.16956	7.0
271.24146	2.2
274.06464	1.6
275.07080	1.7
279.10175	4.4
289.17981	34.1
289.25162	2.1
292.07416	5.9
292.10468	1.5
307.09845	20.7
307.18921	10.8
307.26544	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	307.129
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
53.03936	2.0
55.01866	2.2
67.05492	1.0
69.03419	3.1
69.21751	5.9
69.22153	1.4
71.05026	0.9
79.05476	2.1
81.03426	15.6
81.07060	0.6
85.02911	1.0
89.03915	1.6
91.05493	1.2
95.04995	1.1
96.04485	1.1
97.02849	0.6
98.20732	1.3
98.98453	2.2
104.66328	0.7
105.07050	1.3
106.06580	0.7
107.04957	1.0
107.08621	0.8
108.04459	1.2
109.02890	4.1
112.45836	0.7
117.03381	2.6
117.06994	0.9
119.08592	1.1
122.06065	1.7
123.15376	0.6
127.03896	1.2
129.06989	0.9
135.04417	4.5
135.08031	1.4
136.07550	0.7
140.07100	1.9
145.02847	3.1
145.06442	0.8
155.01007	1.1
157.06470	0.9
159.09189	0.9
160.07605	1.5
161.05959	1.2
161.09610	1.0
163.03912	21.3
163.08687	1.5
168.06604	1.8
174.09169	2.4
177.10277	1.2
178.08647	13.1
182.08147	0.9
184.07617	1.4
187.08728	2.1
188.07094	3.1
191.08237	1.1
198.09148	1.7
201.06621	1.0
201.10295	3.2
202.08635	6.1
205.09846	4.0
206.08167	2.1
216.10211	2.4
219.07831	1.7
219.11320	5.1
220.09679	3.0
226.08621	2.6
229.09801	5.3
230.08134	2.8
231.64096	0.7
232.08958	0.7
240.24767	0.7
243.11356	1.6
244.09758	4.9
247.07808	1.0
247.10767	11.3
248.09193	1.3
261.12289	1.1
262.11008	1.5
265.11838	13.0
271.10861	1.4
272.09277	1.6
289.11826	14.8
307.07843	9.9
307.12894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56849	2.2
55.01866	5.7
55.05503	7.2
57.03429	10.1
57.03687	2.1
59.04994	3.5
67.05505	12.5
69.03443	21.4
69.07064	5.9
70.79174	4.8
71.01353	4.3
71.04986	8.2
73.02926	4.5
79.05490	7.3
81.03429	12.1
81.07063	16.9
83.04965	13.0
83.08597	3.1
85.02913	15.0
87.04476	6.9
89.03931	2.4
91.05489	14.1
93.07052	6.1
95.04977	17.0
95.08617	12.2
97.06544	5.6
99.04471	5.9
101.02419	2.5
103.05491	41.7
105.07032	12.0
107.04944	6.1
107.08624	5.7
109.02896	3.1
109.06508	4.3
109.10198	4.8
111.04456	11.7
111.08111	3.4
113.06042	5.6
115.05474	28.4
117.07041	28.9
119.04947	14.8
119.08560	3.0
121.06525	4.5
121.10184	2.9
123.11700	8.3
127.03912	3.3
128.06235	7.2
129.05487	4.2
129.07019	15.5
131.04948	78.5
131.08578	4.8
132.05754	2.4
133.06482	7.3
135.04411	3.6
135.07967	2.2
135.11694	2.9
136.07623	14.9
137.05998	54.3
138.09180	14.9
141.06995	21.4
143.04959	15.2
143.08611	3.4
144.05711	10.1
145.06517	42.5
146.03610	8.2
147.04416	31.6
147.08073	3.9
148.05222	7.3
149.05994	33.2
151.03891	2.6
151.07556	32.0
153.06976	3.3
155.04929	6.3
155.08557	8.4
157.06493	14.1
158.07251	9.3
159.04411	7.3
159.08078	7.7
160.05225	22.1
161.05998	31.0
162.03108	4.3
162.06735	6.2
163.03955	15.3
163.07558	100.0
164.04733	4.2
164.07079	26.4
165.05579	3.9
165.07018	4.8
165.09128	28.0
167.04994	2.4
167.07085	5.5
168.05678	5.3
169.06485	26.7
171.04478	4.8
171.08046	4.6
172.05186	7.6
173.05983	11.6
173.09703	3.0
174.06779	13.6
175.07574	55.7
176.04639	5.3
176.08290	3.0
177.05499	51.5
177.09123	28.7
178.06215	5.2
179.07062	27.6
181.08640	3.4
182.08296	3.5
183.08113	12.9
184.05225	3.4
185.06009	11.9
186.06815	9.2
187.07561	37.0
188.08199	2.9
189.05475	6.4
189.09143	21.7
190.06255	5.2
191.07054	40.8
191.10632	3.7
193.08624	13.9
195.06544	8.2
197.05995	20.8
198.06851	3.1
199.07567	9.1
200.08324	5.6
201.09146	28.9
203.07042	25.0
204.07803	4.6
205.08598	19.9
207.06581	2.6
209.08154	2.9
211.07657	15.1
213.09004	3.1
214.06258	4.8
215.07065	9.1
215.10640	13.7
217.08614	19.3
217.48378	2.4
219.10204	8.0
221.08133	4.7
225.09093	6.2
227.07042	3.6
229.08635	34.6
231.10268	2.4
233.08130	19.7
233.11758	3.2
243.10172	24.1
245.08145	5.6
247.09636	7.3
259.09735	8.4
261.11255	6.9
271.09720	6.8
276.15347	2.2
289.10754	10.5
307.08643	4.1
307.11884	31.4
307.26230	3.6
310.44711	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0813
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00315	0.5
55.01863	0.9
64.03503	0.3
65.03926	0.9
67.05499	0.6
68.99794	0.6
69.03429	0.5
70.03836	1.0
81.03414	0.3
82.39708	0.3
83.04969	0.5
93.03427	0.6
95.04964	1.7
97.02900	0.4
98.98462	0.7
99.04446	0.4
107.04957	1.1
111.04453	1.6
117.03439	0.5
121.02890	1.2
123.04436	0.9
127.03912	1.0
130.06517	0.4
131.04924	1.3
132.95869	0.3
133.02867	1.0
135.04440	3.1
139.03908	100.0
140.04257	0.4
145.02879	1.0
147.04381	0.6
149.05986	1.0
151.03929	4.0
153.01813	0.6
153.05490	1.1
157.07639	0.6
158.06075	0.4
159.04434	2.2
163.03912	12.8
167.07095	0.6
169.04956	1.7
177.05455	3.0
181.04945	5.4
184.89688	0.3
195.06517	2.9
205.04982	0.9
210.02025	0.3
223.06049	0.7
227.87801	0.4
243.17102	0.3
247.06042	0.9
289.07098	0.9
307.04794	0.4
307.08160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13963	3.4
55.01868	6.3
55.05504	6.0
57.03439	12.9
63.39238	3.2
67.05503	8.6
69.03430	23.2
70.79108	8.3
71.01375	5.0
71.04988	10.1
79.05493	5.2
79.96478	3.5
81.03419	5.4
81.07060	3.7
83.04976	15.0
85.02927	20.5
87.04463	6.0
89.03899	3.3
91.05483	14.1
95.04978	12.9
95.08591	4.4
97.06520	4.7
99.04444	9.6
101.02412	4.5
103.05470	46.0
105.07034	12.0
107.04977	11.9
109.06429	3.3
111.04459	15.5
113.06023	6.9
115.03846	3.1
115.05466	30.2
116.06264	4.2
117.03374	5.3
117.07023	34.1
118.48257	3.3
118.88943	3.2
119.04949	22.4
121.06492	7.7
128.06264	9.1
129.06993	24.0
131.04939	81.6
131.08568	6.6
132.05743	5.5
133.06505	5.4
135.04416	4.6
136.22928	3.1
137.05028	5.8
137.05988	67.6
141.06992	27.1
143.04959	17.5
143.08527	3.6
144.05722	10.8
145.06505	43.5
146.03627	14.8
147.04422	39.9
147.08063	3.9
148.05180	10.2
149.05968	34.3
151.07559	41.1
153.07022	4.0
155.04897	6.4
155.06053	3.8
155.08586	13.0
157.06474	18.4
158.07233	6.2
159.04431	10.3
159.08078	6.8
160.05229	27.2
161.05991	30.9
162.06754	7.8
163.03888	15.0
163.07556	100.0
165.07013	4.3
165.09154	28.1
168.05695	5.8
169.06514	24.2
171.04410	5.5
172.05264	6.5
173.05986	10.4
173.09618	5.8
174.06775	13.8
175.07542	68.3
176.04703	9.4
177.05479	62.4
177.09117	29.8
178.06282	7.3
179.07030	26.1
182.07295	3.5
183.08087	15.6
185.06039	12.3
186.06752	9.4
187.07564	42.3
189.05431	8.1
189.09143	25.9
190.06288	7.5
191.07022	50.1
191.10736	5.9
193.08614	11.3
195.06664	6.3
197.05992	21.4
199.07532	9.7
200.08350	6.0
201.05443	4.3
201.09103	36.2
202.06262	3.8
203.07011	24.4
204.07825	5.4
205.08614	23.5
211.07570	17.7
214.06113	3.6
215.07076	9.3
215.10707	19.2
217.08621	17.8
219.10266	8.6
225.09113	7.5
227.07298	5.1
228.07722	6.3
229.08636	47.0
231.10257	3.9
233.08028	19.5
243.10121	22.1
245.08041	7.4
247.09622	5.5
259.09631	9.4
261.11334	11.1
271.09610	7.2
289.10654	11.8
294.51950	3.6
307.11826	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	307.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46790	0.3
62.51325	0.2
63.88297	0.3
68.85480	0.3
71.47871	0.4
82.99821	0.6
101.00887	3.7
103.34232	0.3
116.98652	0.3
119.01942	4.8
137.02901	0.7
140.98831	1.2
158.99893	2.9
177.00963	10.5
177.08948	0.3
178.00955	0.3
182.99785	1.7
201.00948	3.3
217.04085	1.9
219.02020	17.3
220.02081	0.5
225.00850	2.3
243.02022	12.5
261.03082	100.0
262.03183	2.0
265.02777	0.6
266.03671	0.3
284.04678	3.0
309.38095	0.3
314.97690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39986	5.6
53.98054	4.7
54.29992	5.6
55.46204	5.4
57.63462	4.9
70.39991	16.9
98.09904	5.7
119.01928	6.8
120.80233	5.2
121.21363	6.2
157.03400	5.9
261.80029	7.2
307.07776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04700	0.5
67.05501	0.6
69.07069	1.5
69.55313	3.2
69.55697	0.9
79.05488	0.7
81.07050	0.8
91.05438	0.5
92.62727	0.5
94.04202	1.6
97.06526	0.5
107.08580	1.1
112.89189	0.6
114.09215	0.6
122.03671	6.6
126.09146	0.6
133.10194	0.8
135.11702	1.2
137.05989	100.0
138.06369	0.6
153.12778	1.4
170.15416	2.3
182.15425	2.8
236.16144	0.5
242.83597	0.5
275.07272	0.5
306.20642	1.7
327.09863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0658
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03943	1.0
57.26255	0.7
60.38583	0.8
65.03942	2.5
67.01866	1.0
67.05504	2.1
68.99805	3.8
69.03435	2.2
69.56421	4.8
81.03429	1.6
90.53109	0.6
91.05462	0.7
93.03426	1.0
93.78027	0.8
95.04977	4.4
97.02895	1.7
98.20797	1.5
105.03404	2.7
109.02863	1.1
111.04452	4.9
121.02883	11.3
123.04443	63.5
127.03975	1.4
129.06972	1.4
133.02832	3.9
135.04404	2.0
137.02322	3.7
137.05949	1.0
139.03926	5.8
145.06499	1.2
147.04462	1.8
149.02357	69.9
150.03114	2.5
151.03906	3.9
153.01846	100.0
154.02472	1.0
157.06483	4.9
161.02339	6.3
161.06038	1.1
163.03912	1.8
163.07526	0.9
166.16478	0.8
167.03439	11.4
167.04813	1.5
171.04466	0.8
175.07564	2.6
179.03435	4.0
181.50954	0.9
185.06012	8.6
189.05490	1.3
195.02928	17.7
203.03314	1.1
203.07088	1.2
213.05472	14.4
213.36003	0.8
231.06552	54.0
241.05016	7.1
258.05280	3.4
259.06052	63.9
260.06238	1.0
277.02393	1.0
287.05545	16.5
305.02380	5.2
305.06552	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	305.0657
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.01857	1.4
65.03947	3.1
67.01859	1.5
67.05484	1.2
68.99790	4.1
69.03429	2.8
93.03424	1.7
95.04997	6.5
97.02856	1.4
98.20728	1.8
101.94880	0.8
102.03209	0.9
105.03398	2.8
108.77233	0.8
111.04455	4.3
115.05503	1.0
117.07134	1.0
121.02872	13.0
123.04434	72.2
129.07019	2.0
133.02850	3.3
135.04414	2.0
137.02399	2.1
139.03911	6.6
147.04453	1.3
149.02353	72.9
150.03065	2.9
150.64655	0.9
151.03903	2.5
153.01834	100.0
157.06499	4.0
161.02383	6.0
163.03931	1.0
164.01082	1.3
165.01825	1.3
167.03415	9.3
167.04784	1.5
175.03984	1.1
175.07579	2.5
179.03418	4.1
185.05992	9.9
189.05577	1.1
195.02875	16.2
203.03456	2.5
213.05469	15.6
231.06549	58.8
241.05005	7.3
258.05261	2.2
259.06030	64.5
287.05542	17.0
305.01852	3.5
305.06335	8.8
305.09827	1.6
311.96017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0659
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
53.03949	0.6
55.01868	0.8
68.99793	0.5
69.39771	1.7
71.01359	0.6
73.46717	0.2
81.03422	4.7
89.03896	0.3
93.03399	0.2
98.20755	0.3
99.04501	0.2
102.05291	0.2
107.01331	0.7
109.02889	0.7
111.04473	0.3
121.02904	0.7
123.04429	0.6
127.03925	2.3
135.04375	0.2
137.02361	100.0
137.03433	9.7
138.02669	0.5
139.03911	5.1
143.10751	0.3
147.04419	0.9
149.02354	0.5
151.03928	0.9
161.02391	0.3
167.03371	0.3
173.73259	0.2
175.03928	0.5
177.01859	1.0
177.05539	0.4
179.03412	3.7
195.02911	1.3
201.18410	0.2
203.03409	3.1
245.04440	0.5
287.05557	3.1
305.06567	3.0
320.99756	0.2
323.09216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42499	0.6
53.03945	1.5
55.01877	0.9
55.05510	0.6
55.42486	0.5
56.96350	0.7
56.96575	8.4
57.03433	0.8
61.02924	2.2
67.05498	1.0
68.05016	0.8
69.03436	6.9
69.07058	0.7
70.06576	1.3
71.49194	0.8
73.02918	1.8
79.05489	5.8
80.05014	1.1
81.03422	2.9
81.04536	1.6
81.05811	3.2
81.07053	4.6
82.06577	1.0
83.04990	0.6
84.96013	1.7
85.02917	11.0
86.06065	0.9
86.09713	5.3
87.04498	0.7
88.11311	0.6
91.03954	0.8
91.05471	1.4
94.06550	0.8
95.04975	1.0
96.04494	2.1
96.08145	8.2
97.02895	5.8
98.06067	0.8
98.97598	7.5
99.04448	1.1
103.74465	0.6
106.06580	1.0
107.04968	1.7
109.02877	2.1
110.97587	2.9
112.07616	1.6
116.98624	2.0
119.01930	0.7
119.04924	0.8
123.04469	1.4
124.07604	100.0
124.99157	0.9
125.07895	0.8
127.03918	3.2
128.98630	2.9
133.02869	3.9
134.99683	1.0
135.04420	1.9
137.02368	9.9
137.03412	1.2
137.06000	2.6
139.03879	1.4
142.04967	0.9
142.08656	16.5
142.09767	4.9
143.00182	2.7
143.11823	2.0
145.04993	1.5
146.99721	1.3
147.04399	1.5
149.05956	3.0
153.01903	2.7
154.02196	1.0
155.00270	0.6
157.13420	1.1
158.99669	1.6
159.04480	0.7
161.01251	2.4
163.03842	1.0
166.06259	0.9
167.07091	1.7
170.99672	0.7
174.99203	0.6
177.00677	0.8
181.59875	0.7
184.03917	2.7
185.01259	1.0
187.14439	1.4
189.00635	0.9
191.07109	0.7
192.03773	0.7
193.04402	11.6
193.54611	1.0
201.00606	0.7
202.02194	0.9
202.04825	4.2
208.00507	0.9
219.01833	1.2
226.01450	1.1
230.01741	1.3
230.05399	0.6
232.96414	0.7
237.02875	1.5
240.06494	0.6
241.03876	0.9
248.04364	1.1
248.06512	0.9
255.01901	0.9
257.00916	0.6
258.01242	1.7
259.04993	0.7
262.06033	1.5
262.56488	1.0
271.06732	1.4
271.57214	0.6
276.02295	1.7
280.05014	1.1
286.00574	1.7
304.01733	12.2
304.05389	8.9
304.08691	1.4
304.14896	1.1
305.12186	4.0
308.57654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65349	6.4
53.03950	8.3
54.74601	6.3
55.01885	13.7
56.96569	22.5
57.03443	32.4
61.02937	67.6
63.33251	8.5
68.99108	7.5
69.03439	61.4
71.04985	20.1
71.48149	10.5
72.67224	7.1
73.02930	48.0
74.13099	6.4
81.03424	15.3
81.04546	9.4
81.54543	6.6
85.02914	100.0
86.03221	9.0
95.06105	8.2
97.02904	38.7
98.97586	86.6
99.04446	8.9
101.00823	19.8
107.03340	7.8
109.02888	11.7
110.01308	11.2
110.97578	30.1
113.00905	9.5
115.03960	8.5
116.98664	11.6
119.01819	35.2
123.04376	7.0
127.03939	41.8
128.02319	41.7
128.98613	15.1
131.01859	16.0
132.01852	7.0
134.25488	6.6
137.02821	10.7
140.98715	7.1
141.06606	39.7
142.96507	7.3
143.01865	16.4
145.03502	8.6
145.04932	8.7
146.99596	8.9
151.03918	11.9
158.99661	23.2
161.02934	9.6
169.02594	11.0
170.99818	15.2
173.02922	17.4
174.01976	7.5
182.03365	10.2
183.02373	17.1
184.97623	9.0
189.00693	16.2
191.03888	16.1
192.02922	9.2
196.54024	9.9
200.04491	24.1
201.00693	8.8
204.02950	27.8
209.04871	7.2
213.03412	60.0
213.53740	11.0
216.00575	9.1
217.00232	15.3
219.01807	10.6
222.03925	25.1
230.98007	7.5
247.01152	10.9
248.03268	8.9
257.00851	10.6
257.04449	7.4
263.00735	11.3
271.02963	9.7
275.00928	8.0
290.20526	7.2
303.01471	11.9
303.05035	74.1
303.08478	26.3
305.01846	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01867	0.4
65.03931	0.8
67.01855	0.4
67.05501	0.5
68.99788	2.4
69.03419	0.2
69.07058	0.2
69.29876	0.2
71.07986	0.3
71.08314	0.4
79.05476	0.3
81.03396	0.7
81.07044	0.6
84.22799	0.3
91.05462	0.7
93.03394	0.8
93.07045	0.6
95.04961	1.1
95.08579	0.4
97.06516	0.3
103.05453	0.4
105.03394	0.3
105.07000	0.4
107.04969	0.4
107.08572	0.3
109.02870	1.4
109.10098	0.2
111.00814	1.8
111.04487	0.2
115.05460	0.2
117.07011	0.2
117.71012	0.2
119.04892	0.2
119.08582	0.5
120.08118	0.7
121.02879	2.3
121.06504	0.2
121.10129	0.3
123.04440	0.9
127.03918	0.5
129.06985	0.2
131.04897	0.6
133.02858	0.2
133.06490	0.3
135.04411	0.6
135.11768	0.2
137.02348	7.9
137.03409	0.5
137.05956	0.4
138.05559	0.4
138.09169	0.3
145.02933	0.2
145.06494	1.1
145.10190	0.2
147.11649	0.2
149.02370	1.0
151.03973	0.3
151.07553	0.5
153.01834	12.0
155.04929	1.5
159.11745	0.2
161.05998	0.9
163.03897	1.4
163.07547	0.3
165.01843	4.2
165.06931	0.3
166.02609	0.4
166.05042	0.6
173.05984	1.6
177.05464	0.4
179.03366	0.4
183.02913	1.4
183.04436	0.8
183.08069	0.3
187.03922	1.0
188.59557	0.2
191.03410	0.4
195.02827	0.5
201.05473	4.0
205.05066	0.4
207.02878	0.3
211.03906	0.5
211.07503	0.4
213.05461	0.3
215.03369	0.3
219.02927	0.5
219.06584	0.6
228.04141	0.8
229.04961	9.9
239.03412	0.4
243.10062	0.3
245.04636	0.2
247.06010	1.2
257.04465	5.2
257.13037	0.5
271.09619	0.5
272.11438	0.2
274.04721	1.5
275.05582	0.3
285.03983	2.1
285.12198	0.5
286.19797	0.2
303.04990	100.0
303.23129	0.8
304.05356	1.5
306.22745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98164	0.2
55.01862	0.6
65.03920	0.7
67.01859	0.6
67.05487	0.3
68.99458	0.2
68.99799	2.5
69.03410	0.2
69.26693	1.5
81.03416	0.7
87.75650	0.2
91.05480	0.2
91.39513	0.2
93.03394	0.8
95.04991	1.1
95.08633	0.2
97.02932	0.2
98.55096	0.2
105.03365	0.3
105.07077	0.3
109.02888	1.3
111.00813	2.0
115.05437	0.4
117.07009	0.5
119.04965	0.2
121.02879	2.2
123.04419	0.9
127.03949	0.4
129.07010	0.2
131.04942	0.7
135.04420	0.6
137.02350	7.7
137.03416	0.6
137.06046	0.2
145.06499	0.7
149.02347	0.8
151.04025	0.3
153.01833	10.8
155.04893	1.3
155.06013	0.3
159.04375	0.2
161.05942	1.0
163.03935	1.2
165.01849	4.1
166.02629	0.7
173.05969	1.5
177.01851	0.3
177.05400	0.4
179.03442	0.6
183.02870	1.3
183.04443	1.0
187.03897	1.2
191.03336	0.4
191.06879	0.2
195.02966	0.4
201.05484	4.8
205.04994	0.5
207.02948	0.3
211.03943	0.3
211.07611	0.3
213.05452	0.5
215.03358	0.3
219.02950	0.3
219.06529	0.5
228.04190	0.7
229.04968	9.9
232.03868	0.2
239.03358	0.4
247.06046	1.1
257.04468	5.1
274.04688	1.6
275.05566	0.4
285.03937	2.3
303.05005	100.0
304.05344	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01091	0.3
53.03968	0.3
65.03936	0.8
67.01860	0.3
68.47605	0.2
68.99798	3.0
69.03443	0.2
69.43908	1.7
69.44249	0.2
81.03410	1.2
93.03426	0.8
95.04960	0.7
105.03395	0.4
107.04922	0.3
109.02882	1.3
109.27063	0.3
111.00819	2.4
111.04402	0.3
115.05470	0.3
117.07031	0.3
121.02876	2.7
123.04431	0.9
127.03941	0.5
128.06268	0.3
131.04933	0.4
135.04414	0.7
137.02364	8.8
137.03424	0.7
145.02805	0.3
145.06480	0.9
149.02367	0.9
153.01846	12.1
155.04930	1.3
155.06062	0.4
159.04385	0.4
159.96254	0.2
161.06006	0.7
163.03899	1.2
165.01848	4.6
166.02637	0.8
173.02444	0.3
173.05997	2.2
179.03484	0.5
183.02895	1.5
183.04437	1.2
187.03926	1.1
191.03433	0.5
195.02943	0.5
201.05473	4.9
205.04982	0.6
207.02823	0.4
211.03902	0.3
219.02853	0.3
219.06593	0.6
228.04169	0.8
229.04974	10.8
231.37360	0.2
239.03619	0.3
247.06000	1.6
257.04468	5.9
274.04724	1.8
275.05438	0.4
285.04007	2.9
303.05011	100.0
304.05396	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01868	0.7
65.03950	0.4
67.05502	0.3
68.99794	2.5
70.48231	0.8
81.03404	1.0
90.59990	0.3
93.03403	0.9
93.23329	0.3
95.04957	0.9
105.03396	0.5
109.02888	1.3
111.00817	1.9
111.67632	0.3
117.07020	0.4
121.02895	2.2
123.04432	0.7
127.03893	0.4
131.04930	0.5
134.96996	0.2
135.04457	0.5
137.02351	7.6
137.03419	0.6
145.02826	0.3
145.06497	0.8
149.02347	0.7
153.01834	12.1
155.04936	1.2
158.22487	0.2
159.04408	0.3
161.05998	0.7
163.03867	1.6
165.01843	3.4
165.03143	0.4
166.02545	0.6
173.06000	2.0
177.01865	0.4
177.05510	0.4
177.77948	0.2
179.03339	0.5
183.02901	1.5
183.04474	1.1
187.03873	0.9
191.03459	0.4
191.06993	0.3
191.96159	0.3
195.02881	0.4
201.05476	4.5
211.03801	0.4
213.05569	0.3
219.06595	0.3
228.04294	0.5
229.04973	9.6
239.03450	0.6
247.05981	1.2
257.04443	5.6
271.30176	0.3
274.04718	1.2
285.03864	2.2
303.05002	100.0
304.05240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.01875	0.5
65.03932	0.8
67.01877	0.4
67.05502	0.3
67.63383	0.3
68.99448	0.3
68.99792	3.1
69.03423	0.4
70.64552	0.5
71.01343	0.3
81.03417	0.9
93.03406	0.8
95.04975	0.7
105.03408	0.3
109.02888	1.0
110.03681	0.2
111.00826	2.2
113.13676	0.2
117.07027	0.6
121.02133	0.3
121.02898	2.4
123.04412	0.7
127.03904	0.6
131.04939	0.4
135.04456	0.8
137.02357	9.2
137.03416	0.8
145.06477	1.0
149.02348	0.7
153.01836	13.6
155.04936	1.7
155.06017	0.3
158.27382	0.2
161.05998	0.8
163.03970	1.1
165.00549	0.3
165.01855	3.9
166.02571	0.5
173.06044	1.8
177.05447	0.3
179.03407	0.4
183.02908	1.9
183.04420	0.9
187.03923	1.0
191.03429	0.6
191.07130	0.3
195.02953	0.5
200.04619	0.3
201.05484	4.4
205.04918	0.4
211.03886	0.6
213.05402	0.3
215.03531	0.3
219.02995	0.4
219.06541	0.9
228.04143	0.7
229.04967	9.6
232.03705	0.4
239.03496	0.4
246.86440	0.3
247.05998	1.1
257.04449	6.0
267.02893	0.3
274.04770	1.8
275.05368	0.3
285.03955	2.5
303.05011	100.0
304.05386	1.4
308.56677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.19125	0.2
55.01864	0.3
65.03944	0.4
67.01881	0.2
68.99795	1.8
70.53196	0.5
81.03426	0.4
91.05515	0.2
91.06236	0.2
93.03417	0.5
95.04979	0.4
95.58454	0.2
97.44991	0.2
99.61400	0.2
105.03340	0.3
109.02879	0.9
111.00813	1.8
117.07072	0.2
121.02867	1.6
123.04410	0.6
127.03910	0.2
131.36864	0.2
135.04387	0.4
137.02367	5.8
137.03416	0.3
138.72968	0.2
142.26927	0.2
145.06482	0.6
149.02362	0.8
151.27505	0.2
153.01843	7.8
155.04948	0.9
161.05948	0.5
163.03889	0.7
165.01866	3.4
166.02660	0.6
173.06015	1.1
179.03381	0.3
183.02888	1.2
183.04459	0.7
187.03961	0.8
191.03461	0.2
195.02844	0.5
201.05489	3.3
205.05014	0.2
211.04015	0.3
213.05583	0.2
219.02988	0.3
219.06531	0.5
228.04286	0.4
229.04997	7.6
239.03430	0.5
247.05975	1.0
257.04483	4.6
274.04745	1.3
275.05460	0.4
285.03937	2.3
303.05017	100.0
304.05258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03939	0.3
55.01854	0.6
65.03934	0.6
66.36289	0.2
67.01855	0.6
67.05499	0.5
68.99454	0.2
68.99795	2.5
69.03418	0.3
70.74202	0.4
76.04407	0.1
77.71998	0.2
79.05513	0.3
81.03407	1.0
81.07036	0.2
84.04504	0.5
88.11284	0.2
89.03890	0.3
91.05480	0.5
93.03395	0.7
95.04974	1.0
95.08613	0.4
95.60966	0.2
103.05454	0.4
105.03413	0.3
105.07022	0.3
107.01305	0.2
107.04977	0.4
109.02901	1.1
110.03683	0.2
111.00805	1.8
111.04428	0.2
115.05433	0.2
117.03363	0.7
117.07009	0.5
119.04935	0.4
121.02869	2.4
121.06530	0.2
123.00732	0.2
123.04443	1.2
123.08118	0.2
127.03945	0.5
129.07022	0.2
130.05048	0.2
131.04930	0.7
133.02818	0.2
135.04437	0.8
137.02348	8.5
137.03416	0.6
137.05956	0.5
139.03908	0.8
139.05426	0.2
145.02834	1.1
145.06474	1.0
147.04398	0.7
149.02335	0.9
151.03911	0.4
153.01839	11.5
154.12251	0.6
155.04880	1.1
157.06473	0.3
159.04428	0.3
161.05992	0.8
163.03903	2.0
163.07536	0.3
165.01851	4.3
166.02605	0.7
167.03384	0.2
169.01378	0.2
173.02354	1.3
173.05983	1.6
175.03960	0.3
177.01889	0.3
177.05530	0.8
179.03418	0.6
183.01251	0.2
183.02878	1.7
183.04430	1.2
185.02303	0.2
185.06114	0.2
187.03889	1.4
191.03371	1.2
195.02855	0.7
200.04681	0.2
201.01834	2.9
201.05489	4.4
203.03383	0.6
205.05019	0.5
207.02844	0.5
211.03882	0.4
211.07674	0.2
213.01836	0.3
213.05476	0.5
215.03336	0.3
217.01138	0.2
219.02960	0.8
219.06512	0.6
228.04161	0.6
229.01472	2.7
229.04961	9.6
231.02890	0.4
239.03404	0.6
241.01385	0.3
247.02409	2.4
247.06024	1.3
257.00821	4.7
257.04437	6.0
259.02316	0.6
267.02744	0.3
274.04736	1.3
275.01871	4.2
275.05099	0.4
285.00323	2.9
285.03946	3.5
285.12350	0.3
303.01361	23.4
303.04968	100.0
303.14127	5.0
304.01721	0.5
304.05273	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.36767	0.1
53.03941	0.2
55.01865	0.3
60.09633	0.1
61.54865	0.1
62.35193	0.1
63.49912	0.1
65.03954	0.6
67.01856	0.4
67.05489	0.3
68.99451	0.2
68.99795	2.3
69.03416	0.2
70.39555	0.4
79.05444	0.1
80.00082	0.1
81.03415	0.9
91.05468	0.2
93.03402	0.5
95.04973	0.8
97.02891	0.2
105.03405	0.3
107.04972	0.2
109.02892	1.2
110.03647	0.3
111.00815	2.4
111.11775	0.1
111.88758	0.1
115.05485	0.2
117.07010	0.5
119.04931	0.2
121.02867	2.1
123.04443	0.7
123.08053	0.1
127.03927	0.9
129.06990	0.2
131.04935	0.4
135.04381	0.5
137.02356	8.6
137.03415	0.6
137.05969	0.4
139.03970	0.2
139.05411	0.1
145.02884	0.2
145.06491	0.6
147.04427	0.2
149.02345	1.1
151.03920	0.2
153.01840	10.5
155.04903	1.2
155.06084	0.2
157.06500	0.3
159.04382	0.3
161.06009	0.6
163.03937	1.3
165.01852	3.8
166.02625	0.6
171.02892	0.1
173.02376	0.3
173.06004	1.5
177.01892	0.2
177.05522	0.2
179.03423	0.4
183.02895	1.3
183.04437	1.0
183.63702	0.1
185.05945	0.2
187.03938	1.0
191.03432	0.3
195.02863	0.6
201.01770	0.3
201.05478	4.6
205.04976	0.5
207.02834	0.2
211.03954	0.3
213.05455	0.2
215.03334	0.3
219.02931	0.4
219.06554	0.6
228.04285	0.6
228.06131	0.1
229.04979	9.5
230.05444	0.2
232.03761	0.1
233.04453	0.2
239.03380	0.6
245.04378	0.2
247.02347	0.2
247.06020	1.2
257.00961	0.3
257.04459	5.4
271.09619	0.2
274.04749	1.4
275.01804	0.4
275.05533	0.4
285.00391	0.4
285.03918	2.4
285.12399	0.2
286.04630	0.2
303.04993	100.0
304.05319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09393	0.2
53.03921	0.3
53.57331	0.2
55.01869	0.6
65.03931	0.6
67.01853	0.4
67.05492	0.5
68.99789	2.7
69.03423	0.4
71.40741	0.5
79.05489	0.3
81.03413	0.9
85.89536	0.2
87.81361	0.2
91.05455	0.3
93.03388	0.9
95.04966	0.8
95.08602	0.4
97.02879	0.3
103.05440	0.3
105.03384	0.3
105.07014	0.4
105.25233	0.2
109.02888	1.2
111.00810	1.9
111.04439	0.3
115.05431	0.3
115.23650	0.2
117.03349	0.3
117.07019	0.5
119.04919	0.4
121.02882	2.1
123.04438	1.3
123.08018	0.4
127.03920	0.7
129.06915	0.2
131.04907	0.6
135.04381	0.7
137.02353	9.4
137.03415	0.6
137.05907	0.5
139.03873	0.7
141.09050	0.4
145.02829	0.3
145.06456	0.8
147.04425	0.5
149.02348	1.1
151.03860	0.7
153.01836	10.6
155.04892	1.1
155.06001	0.3
157.06410	0.3
159.04414	0.3
161.02382	0.3
161.05946	0.8
163.03961	1.7
165.01840	3.8
166.02551	0.7
169.78474	0.2
173.02332	0.6
173.06026	1.6
177.01784	0.4
177.05510	0.3
179.03346	0.5
183.02849	1.5
183.04425	1.3
183.08081	0.3
187.03862	1.0
191.03398	0.7
191.07089	0.2
201.01837	1.3
201.05464	4.3
203.03394	0.3
205.04991	0.5
207.02855	0.2
211.03885	0.4
213.05449	0.4
219.02879	0.5
219.06552	0.6
219.31094	0.2
228.04185	0.6
229.01593	1.1
229.04971	9.7
231.03014	0.2
239.03468	0.5
247.02348	1.1
247.06073	1.1
257.00806	1.9
257.04419	5.2
259.02240	0.4
271.09738	0.3
274.04703	1.1
275.01810	1.4
275.04785	0.3
285.00281	1.4
285.03903	2.6
285.12286	0.2
300.33752	0.2
303.01392	10.7
303.04959	100.0
304.05231	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29297	0.4
55.74043	0.4
59.16703	0.4
71.48560	0.6
76.92139	0.4
82.99863	0.7
98.97593	5.1
101.00892	3.7
116.98621	1.9
119.01925	5.0
134.99754	0.5
137.03020	0.7
140.98796	1.0
158.99913	3.0
159.51297	0.4
160.99611	0.5
175.02927	0.5
177.00974	11.2
179.00694	0.5
182.99913	1.2
190.61107	0.4
201.00963	4.1
217.04047	3.1
217.05833	0.5
218.03654	0.9
219.02019	20.7
220.02132	1.8
221.01761	1.5
225.00885	2.6
242.99416	0.9
243.02007	15.9
244.02049	1.0
258.99893	0.8
261.03064	100.0
262.00095	0.6
262.03177	9.3
263.03113	1.1
279.00500	0.9
279.98178	1.6
283.00000	1.4
284.04648	1.2
284.99911	3.3
285.02817	0.5
297.97797	0.5
301.00876	1.2
302.97766	0.7
303.00925	3.4
303.05087	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	303.0137
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
52.81300	0.2
53.03950	0.3
55.01867	0.4
65.03902	0.3
67.05492	0.4
68.99798	1.3
70.84296	0.3
70.84621	0.5
73.67000	0.2
79.05509	0.3
81.03394	0.6
84.48338	0.2
86.09711	0.6
89.03934	0.4
91.05479	0.9
93.03428	0.2
95.04990	0.4
102.85069	0.2
103.05498	0.3
105.03384	0.3
107.04984	0.4
109.02853	0.4
111.00802	0.8
117.03375	1.1
119.04958	0.5
121.02872	0.9
123.04417	0.4
129.03348	0.5
131.04869	0.4
133.02834	0.4
135.04366	0.4
137.02338	2.4
137.03355	0.3
137.05907	0.4
139.03967	0.3
145.02861	2.2
145.06512	0.4
147.04381	1.9
149.02377	0.4
151.03986	0.5
151.07550	0.3
153.01843	3.6
155.04912	0.6
157.02908	1.3
161.06041	0.3
163.03957	1.9
165.01848	1.5
165.43893	0.2
169.01338	0.3
173.02365	4.8
173.06001	0.4
175.03917	1.2
179.03340	0.4
183.00795	0.8
183.02951	0.4
183.08035	0.3
185.02318	0.9
187.03951	0.6
189.01883	0.3
191.03406	2.2
191.11887	0.2
201.01840	10.8
201.05432	1.6
203.03439	1.6
205.01236	0.4
207.02928	0.7
211.88864	0.2
213.01831	1.5
213.05331	0.3
217.01376	1.0
219.02924	1.6
219.06551	0.3
228.99040	0.5
229.01360	9.3
229.04901	3.8
231.02881	1.9
241.01352	0.9
247.02425	7.6
247.06056	0.5
248.02631	0.3
257.00818	20.8
257.04355	1.7
258.01190	0.3
259.02344	2.3
274.04819	0.5
275.01874	16.1
276.02319	0.3
283.16525	0.3
285.00336	14.6
285.03790	0.9
286.01013	0.5
303.01361	100.0
303.04959	38.8
304.01703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90496	2.7
55.16952	2.6
55.77483	2.3
57.03426	3.8
61.02932	3.1
61.74143	2.5
67.05504	5.5
68.99801	3.8
69.03428	10.7
70.06605	5.9
70.83952	6.1
72.08157	9.4
77.61432	2.5
79.05503	5.4
81.03428	5.9
81.07060	4.2
84.08167	3.0
85.02912	54.0
86.09708	4.1
89.07575	2.6
91.05425	2.9
95.04967	6.3
97.02886	20.9
103.03938	3.1
108.08137	8.2
109.02891	9.4
112.07590	2.8
121.02855	2.5
122.06037	5.6
125.06007	4.1
126.05553	3.6
127.03932	9.3
130.06523	7.0
136.07585	12.9
137.02367	6.8
140.07077	26.7
143.11772	3.6
145.04996	7.2
152.07050	15.3
153.01845	11.8
154.08630	3.4
164.07109	15.7
165.01831	6.0
173.02408	3.7
178.08661	10.0
182.08147	58.7
182.09753	2.2
201.01819	3.2
201.05475	4.6
206.06310	4.0
206.08124	28.4
218.08250	3.2
229.01425	3.5
229.04976	10.4
236.09267	3.3
247.02263	3.6
248.09184	6.7
257.00842	5.4
257.04443	7.2
270.44833	3.2
274.04556	2.8
275.02045	5.8
284.11292	3.8
285.00330	6.9
302.00693	3.4
302.04013	4.0
302.07486	6.4
302.11404	3.0
303.01395	40.0
303.05029	100.0
303.08411	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
55.05508	1.7
57.03421	1.9
61.02911	1.7
65.03924	3.4
67.05141	2.0
67.05508	32.1
69.03429	15.5
69.07084	11.9
70.06600	15.9
70.87343	4.5
72.08160	2.8
75.40852	1.5
81.03419	5.9
81.07037	2.4
84.08150	2.6
85.02910	44.6
86.09697	4.1
89.39057	1.7
94.06594	1.7
95.04385	2.9
95.04974	50.2
97.02901	37.0
98.06051	3.6
99.04470	2.4
103.03924	4.4
109.02868	10.6
111.04445	4.6
112.06850	3.1
112.07612	46.9
113.05999	2.9
116.99512	1.4
122.05977	1.8
123.04495	1.8
124.07605	11.5
127.03889	9.3
134.06015	3.4
136.07617	2.7
137.02348	2.4
138.09114	2.2
139.03877	2.4
140.07072	100.0
145.04988	2.2
147.04424	2.0
151.03941	3.2
152.07056	7.5
153.01898	3.0
154.08632	7.9
158.08148	2.4
162.09184	1.8
163.03914	2.5
166.08636	4.5
173.02361	2.7
178.08656	1.8
182.08139	59.4
190.02342	1.9
201.01826	5.6
206.08116	12.4
208.09770	11.3
215.61829	1.7
218.05081	2.0
219.02898	1.8
220.09625	3.0
229.01341	4.0
236.09198	2.2
246.04701	1.5
246.89465	1.5
247.02466	3.4
248.09146	8.7
256.03320	2.2
257.00784	11.3
257.04538	1.5
272.10318	3.0
273.09048	3.7
274.04276	5.2
275.01767	5.7
284.11441	2.3
285.00241	4.5
285.03723	2.7
302.00504	7.9
302.03769	3.1
302.07236	2.4
302.12021	10.4
303.01370	56.4
303.04950	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	302.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19254	2.6
53.03958	2.2
55.01860	6.2
56.96566	63.8
57.03176	2.2
57.03431	12.8
61.02925	7.1
69.03430	21.0
69.73849	12.3
70.06585	15.6
71.05003	11.2
72.93781	3.7
73.02916	18.1
81.03412	10.2
81.04546	4.2
83.04970	4.4
84.96030	8.4
85.02445	3.8
85.02912	53.6
86.09740	3.2
87.04475	3.8
90.94817	4.3
91.05463	3.9
96.04513	2.7
97.02892	28.7
98.06059	3.3
98.21495	5.2
98.97587	72.5
98.98218	4.1
99.04465	4.9
100.99153	3.6
101.00842	4.5
102.94806	2.5
106.02894	6.4
107.04917	2.2
109.02886	6.9
110.01294	6.5
110.97569	21.3
112.07609	10.3
112.99158	4.2
115.03974	2.3
116.01237	2.6
116.07078	3.5
116.98634	24.8
119.01810	12.7
119.04925	2.7
121.02850	3.6
122.06004	2.7
122.07137	4.3
124.03959	100.0
124.07579	3.5
124.99119	3.2
127.03886	13.9
128.02336	3.9
128.98590	16.9
129.02202	3.3
129.05511	3.2
130.08594	3.5
131.00206	3.5
131.01820	5.8
131.03793	5.8
132.95859	4.3
134.06021	22.4
134.99628	5.9
135.04379	5.5
137.05984	3.7
139.03940	5.7
140.02266	2.9
140.07037	7.1
140.08177	9.1
140.98627	4.7
143.00191	6.5
144.98064	4.5
145.04993	3.0
146.02333	7.7
146.99681	7.3
147.03337	4.3
147.04379	5.7
148.03865	8.1
148.99042	2.6
149.01102	2.3
149.04890	11.4
152.07080	38.1
152.98596	3.4
153.01828	10.2
155.02850	3.2
156.03328	25.9
158.08047	2.9
158.99660	17.5
161.01263	4.9
161.02863	11.4
162.99139	3.4
163.03917	13.4
164.07097	10.1
165.00659	2.9
168.03383	12.0
170.03381	5.8
170.99673	9.5
173.01141	2.5
173.02823	3.5
174.04417	18.4
177.00713	10.0
181.09726	3.2
182.03349	6.7
182.99561	3.1
185.01233	3.0
186.04401	47.1
186.05968	4.2
189.00700	10.4
191.03929	19.1
192.05385	4.8
193.00156	2.7
193.04369	2.6
193.54538	2.6
197.01254	9.1
200.04445	7.5
200.61418	2.2
201.00748	8.0
201.08734	6.4
202.01506	2.8
202.04974	2.7
204.02780	3.7
204.03491	3.8
204.05431	38.7
205.00043	2.6
212.06232	41.3
212.56342	5.7
219.01740	24.8
221.06766	38.6
221.57007	3.8
237.02791	23.1
240.05403	4.8
240.99956	4.4
249.02730	2.8
253.07529	16.4
257.03394	2.7
261.02701	4.7
266.03387	3.2
271.08533	10.7
273.09045	18.9
279.05008	3.3
279.07617	19.4
281.78247	2.5
284.04416	20.7
284.07465	5.1
285.00327	5.2
285.09009	4.4
295.07047	8.1
297.06232	24.9
302.00647	5.3
302.08591	5.9
302.11520	4.5
302.13583	5.1
303.01370	22.9
303.04904	5.2
321.08612	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
51.02398	0.2
53.03947	0.4
55.05522	2.2
57.03426	0.4
57.07066	0.4
57.62282	0.3
67.05502	2.2
69.07079	2.1
69.44860	1.1
69.45284	1.0
71.04973	0.5
79.05486	1.9
81.07059	2.3
83.04979	0.7
83.08614	1.1
88.29951	0.3
91.05482	3.4
93.07058	2.9
95.04993	0.6
95.08627	3.0
97.06539	0.7
97.10154	0.4
98.21491	0.6
99.08113	0.4
105.07028	6.0
107.04993	0.3
107.08599	3.7
107.81456	0.3
109.06508	0.3
109.10156	1.7
111.08065	1.1
115.05439	0.7
116.06269	0.4
117.07014	2.1
119.07819	0.4
119.08589	5.2
121.06536	0.4
121.10149	2.8
123.08070	0.7
123.11707	0.3
125.09555	0.3
128.06239	0.6
129.05453	0.3
129.07043	1.4
130.07790	2.2
131.08577	3.7
132.09378	0.6
133.07596	0.3
133.10136	7.8
135.08075	0.5
135.11728	1.1
141.06992	0.4
142.07790	0.9
143.08545	2.1
144.09355	0.9
145.10126	9.6
146.10884	1.0
147.11694	100.0
148.12027	0.6
149.09621	1.3
155.08586	1.0
156.09340	1.1
157.10138	3.2
159.11707	4.6
161.09630	0.5
161.13248	1.5
163.11165	0.8
167.08595	0.5
168.09303	0.5
169.10129	2.2
170.10912	2.4
171.11691	4.7
173.13281	3.1
175.11145	0.4
180.09505	0.3
181.10075	0.7
182.10864	0.7
183.11717	2.3
184.12445	1.6
185.13298	4.9
187.14798	0.7
191.08620	0.3
193.10216	0.5
194.10893	0.7
195.11728	0.9
196.12492	1.1
197.13306	1.9
198.14099	0.5
199.11214	0.5
199.14812	4.7
201.16393	0.8
207.11752	1.1
208.12534	0.5
209.13341	1.8
210.14006	0.8
211.14790	2.3
212.15610	0.6
213.12683	0.4
213.16342	0.8
217.05042	0.5
221.13206	0.6
222.14000	0.5
223.14848	1.4
225.12862	2.3
225.16313	2.2
226.17180	0.9
227.14449	0.5
227.17899	1.6
229.15840	0.4
229.19557	0.3
235.14815	3.0
236.15614	0.4
237.16426	3.2
239.17841	0.7
241.15930	0.5
241.19467	0.4
245.04579	0.6
250.17220	1.1
253.15848	1.4
253.19527	0.4
255.17712	0.3
255.21033	1.2
265.19470	2.5
268.18240	4.0
273.03903	1.1
283.17383	0.6
283.20578	6.7
301.03455	3.3
301.06894	0.6
301.10812	0.8
301.21643	38.2
301.28748	1.7
302.21820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
50.96040	0.3
52.53187	0.3
53.03949	0.5
55.01874	0.5
55.05515	2.3
56.99183	0.3
67.05506	2.2
69.07070	1.3
71.01436	0.6
71.04980	0.3
79.05516	1.9
81.07064	2.0
83.05001	0.5
83.08606	0.6
85.06551	0.3
91.05491	2.8
93.07057	2.4
95.04959	0.7
95.08608	2.9
97.06561	0.6
99.08060	0.4
105.07038	5.1
107.04948	0.4
107.08598	3.7
109.06529	0.6
109.10146	2.0
111.08046	0.8
115.05443	0.6
117.07024	2.1
119.08591	5.3
121.10168	2.5
122.92466	0.3
123.11711	0.7
123.31771	0.4
125.09654	0.4
128.06155	0.7
129.07048	1.0
130.07768	2.0
131.08562	2.9
133.10141	6.6
135.08099	0.5
135.11716	1.1
137.09605	0.4
141.07008	0.5
142.07794	0.9
143.08568	1.6
144.09349	1.4
145.10124	8.8
146.10898	0.5
147.11696	100.0
148.12070	1.0
149.09622	1.0
153.07019	0.4
155.08560	1.1
156.09367	1.1
157.10127	3.1
158.11018	0.5
159.11719	4.5
161.09660	0.6
161.13283	1.7
163.11218	0.9
167.01302	0.4
167.10635	0.5
169.10143	1.8
170.10927	2.2
171.11693	4.0
172.12483	0.5
173.09520	0.4
173.13293	3.0
175.11226	0.7
175.14871	0.4
179.08598	0.6
181.10144	0.4
182.10939	0.8
183.11737	2.4
184.12453	1.5
185.13295	5.6
186.14015	0.4
187.14781	0.5
189.12727	0.4
193.10159	0.5
195.11673	0.9
196.12447	1.0
197.13240	2.0
199.14851	4.5
201.12805	0.4
201.16489	0.5
207.11729	0.6
209.13345	1.4
210.14072	0.8
211.14841	2.8
212.15631	0.7
213.16411	0.7
220.12436	0.6
221.13316	0.7
222.14093	0.7
223.14847	1.2
225.12799	1.9
225.16357	2.5
226.17226	1.2
227.18015	1.1
229.19547	0.5
235.14813	2.6
237.16418	3.1
239.18002	0.6
241.15886	0.4
241.19569	0.4
250.17247	1.2
253.15970	1.2
255.21037	0.9
265.19540	3.4
268.18231	4.2
283.20587	6.0
283.23904	0.6
301.03595	2.0
301.10690	1.1
301.21649	38.1
302.21960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
55.01866	0.4
55.05510	1.4
65.65232	0.3
67.05508	2.3
69.07066	1.7
75.73125	0.3
78.49510	0.4
79.05486	2.0
80.17812	0.3
81.07069	2.0
83.04991	0.3
83.08604	0.6
91.05489	3.0
93.07047	2.6
94.13306	0.4
95.04971	1.0
95.08619	2.7
97.06508	0.8
97.10141	0.5
105.07030	4.5
107.08611	3.3
109.06528	0.4
109.10151	2.2
110.77306	0.4
111.08098	0.7
115.05433	0.8
117.07040	2.2
119.08579	5.2
121.10136	3.5
121.40037	0.4
123.11707	0.4
128.06229	0.5
129.06996	1.2
130.07791	2.2
131.08597	3.2
133.10130	7.5
135.08081	0.7
135.11699	1.4
137.09557	0.4
142.07753	0.6
143.08571	1.5
144.09344	1.1
145.10136	8.5
146.10933	0.9
147.11694	100.0
148.12070	0.7
149.09651	1.5
153.07031	0.4
155.08565	1.1
156.09363	1.5
157.10155	3.8
158.10931	0.5
159.08081	0.5
159.11694	5.7
161.09679	0.4
161.13278	1.6
163.11234	1.0
165.07027	0.6
166.07744	0.3
169.10159	1.5
170.10883	2.0
171.11729	4.1
172.12445	0.7
173.13295	3.0
179.08635	0.6
181.10112	0.8
183.11716	1.9
184.12463	1.1
185.13284	4.5
187.14856	0.6
193.10188	0.9
195.11707	1.4
196.12486	0.6
197.13260	2.0
199.14825	4.1
207.11719	1.3
208.12483	0.6
209.13245	1.6
210.14067	0.7
211.14854	2.0
213.12756	0.6
213.16331	1.0
221.13275	1.1
222.14032	0.5
223.14798	1.6
225.12831	2.1
225.16409	2.0
226.17206	1.4
227.14395	0.7
227.17976	1.3
235.14812	3.0
237.16466	3.0
239.17989	0.9
244.85304	0.5
250.17207	1.4
252.19041	0.4
253.15855	1.2
253.19481	0.4
255.20996	0.7
265.19559	2.9
268.18225	4.3
283.20572	6.4
301.03464	1.4
301.10626	1.3
301.21640	37.9
302.22015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.6
54.74411	3.1
55.01870	25.6
55.05515	49.0
57.03197	4.3
57.03444	46.4
57.73476	3.1
59.04985	3.7
65.03957	6.1
65.04375	3.7
67.05508	100.0
69.03440	7.1
69.07065	21.5
69.15352	37.4
71.01360	3.5
71.04989	12.5
72.44915	3.1
73.02909	5.5
77.03960	3.8
79.05492	94.3
81.03413	17.4
81.07059	73.3
83.04990	38.7
83.08598	16.0
85.02876	9.4
85.06538	13.9
87.88160	3.1
91.05486	56.4
93.07048	98.5
95.04987	21.0
95.08614	37.1
97.02854	5.5
97.06529	25.1
97.10178	14.0
99.04507	4.6
105.07018	21.7
107.04960	52.0
107.08603	40.0
109.06511	6.8
109.10142	25.1
111.04452	45.0
111.08083	11.1
117.07015	23.7
119.08591	42.4
121.06503	10.3
121.10155	76.1
123.04398	6.3
123.08075	11.1
125.06013	7.9
125.09626	9.5
129.07033	8.2
131.04904	6.7
131.08583	24.3
133.10115	9.7
135.08043	7.4
135.11703	53.2
139.03918	5.2
139.11169	8.1
145.06488	10.4
145.10133	71.5
147.08054	5.6
147.11685	45.7
149.09625	9.5
151.03885	8.0
153.12737	21.5
155.08549	11.3
157.10187	6.1
161.13373	4.2
163.03996	4.3
163.11182	85.8
165.97806	8.4
170.91408	7.4
171.11662	4.8
173.09627	39.6
181.04924	4.2
181.12221	29.0
188.92482	12.5
191.10696	48.7
193.60617	3.3
205.04941	6.5
209.11726	24.2
214.94102	4.5
217.04956	6.0
223.23380	4.2
227.12778	21.3
244.95148	12.0
245.04510	6.7
245.13878	17.1
253.69426	3.5
265.14502	5.7
273.03870	7.6
283.15302	7.4
295.50537	4.2
300.99713	5.9
301.03442	28.5
301.13437	5.8
301.16510	94.6
301.21646	25.7
301.25146	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	300.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03942	0.5
57.03440	0.4
63.12652	0.2
68.05024	0.3
69.03438	1.9
70.06599	3.5
71.01023	0.6
71.04982	0.3
72.08132	0.3
73.02924	0.3
78.03458	3.1
80.05022	2.4
81.03426	2.4
85.02916	3.1
86.09712	1.2
88.27895	0.2
92.58730	0.2
96.04501	1.9
97.02919	1.4
99.04482	0.5
106.02924	11.6
109.02897	2.1
110.06083	0.4
116.07077	1.7
120.04460	0.4
124.03964	100.0
125.04300	0.4
127.03934	1.6
137.02357	0.4
138.05502	2.0
139.03978	0.5
141.10243	0.3
145.05032	0.3
147.04324	0.3
156.14310	0.2
157.13342	0.3
169.09706	0.5
220.09830	0.2
250.07146	7.5
255.03131	0.3
268.08215	3.7
273.03928	0.7
290.92520	0.2
293.31934	0.3
300.10797	18.1
301.03506	0.6
301.11539	0.3
310.50262	0.3
318.11685	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
53.03937	1.1
55.05500	1.4
57.03421	0.5
57.07068	1.0
65.91657	0.4
67.05512	2.1
69.07085	2.4
71.01363	0.8
71.04976	1.6
71.92062	0.4
72.41051	0.4
79.05479	1.6
81.07069	2.4
83.05001	0.4
83.08600	0.6
85.06556	0.7
91.05489	4.5
93.07030	1.8
93.91573	0.4
95.04954	0.5
95.08609	1.3
105.07046	3.7
107.08610	2.1
109.10200	0.9
110.15760	0.5
115.05470	1.2
116.06268	1.5
117.06326	0.4
117.07008	2.1
119.08585	2.8
121.10155	2.1
123.08124	0.4
123.11676	0.5
128.06239	0.9
129.07004	2.2
130.07794	1.6
131.08585	14.9
132.09398	0.9
133.10146	10.5
135.11658	0.6
137.09622	0.7
141.06989	0.8
142.07788	1.3
143.08554	3.1
144.09366	1.1
145.10139	8.3
146.10883	0.6
147.11740	1.9
149.09621	0.7
153.07010	0.6
155.08577	2.4
156.09364	3.3
157.10133	6.4
158.10895	0.8
159.11681	4.0
161.09715	0.7
161.13339	0.4
167.08636	0.4
169.10133	3.9
170.10930	12.9
171.11703	9.8
172.12431	0.6
173.13295	2.9
179.08640	0.5
179.10648	0.7
181.10124	0.8
182.11029	1.0
183.11705	4.6
184.12486	2.4
185.13274	26.7
187.14809	0.8
193.10115	0.4
194.11145	0.5
195.11789	1.0
196.12509	1.4
197.13226	4.9
198.10435	0.6
198.14105	0.8
199.14828	4.1
209.13246	1.8
211.11255	0.5
211.14830	5.8
212.12173	0.6
212.15622	4.3
213.12819	3.0
213.16266	2.0
215.08354	0.7
221.13289	0.4
223.14864	1.0
224.15660	0.5
225.16321	0.9
226.17143	4.9
227.14439	3.4
227.17967	11.3
238.17223	0.6
239.14398	0.5
239.18021	1.7
243.89418	0.4
248.15793	0.5
251.14372	0.6
253.19461	1.9
255.17397	0.6
271.17023	1.2
281.19122	1.3
282.27936	1.1
298.96451	0.4
299.20099	100.0
300.20459	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01865	2.4
55.05310	0.9
55.05518	10.1
57.03437	18.4
57.07091	1.4
59.04993	1.2
60.86767	0.9
62.82984	0.9
65.03942	1.7
67.05505	38.4
67.48442	0.8
69.03419	2.2
69.07070	13.9
69.91152	1.6
69.91559	4.6
71.04998	5.3
73.06552	1.8
79.05492	23.6
81.07056	100.0
83.04977	8.4
83.08603	5.9
85.06541	9.2
91.04908	2.1
91.05480	40.8
93.07043	16.1
95.04955	4.9
95.08611	22.7
97.06524	11.3
97.10159	1.1
98.97575	1.3
99.08111	5.2
101.06024	1.2
103.05455	1.3
105.07033	44.7
107.04978	1.6
107.08597	14.1
109.06513	6.8
109.10180	2.1
109.72646	0.9
111.04438	1.6
111.08086	3.4
113.06037	1.4
115.07552	1.4
116.06258	1.3
119.04980	1.1
119.08585	31.8
121.06506	1.1
121.10143	18.1
123.08092	3.4
123.11709	24.3
125.09695	1.0
127.07602	1.2
129.07007	5.9
131.08559	8.7
133.10136	13.6
133.33159	1.0
137.13268	4.6
141.09097	1.7
142.07738	2.4
143.08543	1.8
145.10150	2.3
147.08034	2.3
147.11690	85.3
147.76398	1.0
149.09586	1.7
149.13220	1.2
157.10133	9.9
159.08084	6.2
159.11687	1.2
165.12756	59.1
172.07863	1.0
173.13298	1.1
175.11160	10.0
183.13860	1.8
185.13292	1.0
187.02075	1.1
193.12256	13.3
197.13698	1.6
197.15331	9.2
204.97400	1.0
225.14828	1.3
229.14279	1.4
243.16003	3.0
267.15936	2.8
281.19141	1.5
299.05960	1.8
299.18320	28.8
299.23904	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
52.25766	1.0
53.03938	1.4
55.05513	16.2
56.05035	6.7
56.96576	1.5
57.07090	4.9
58.02943	3.0
60.04503	3.1
60.10934	1.0
64.40073	1.0
65.03942	1.3
67.05186	1.5
67.05508	19.9
68.05019	2.7
69.07071	15.3
71.08627	2.5
71.50552	1.7
72.93794	1.2
74.06078	1.4
76.54833	0.9
77.88004	1.0
79.05495	14.6
80.05013	2.3
81.07055	16.8
82.06593	8.7
83.08614	7.9
86.06063	2.6
91.05496	7.2
92.82761	0.9
92.92611	1.0
93.07045	9.2
94.06568	2.9
94.61736	1.0
95.08609	12.6
96.08116	2.1
97.06520	1.8
97.10146	4.0
98.06092	1.5
100.07621	1.8
102.46548	1.0
105.07009	4.3
107.08606	4.9
109.08914	1.0
109.10146	5.1
111.11720	1.2
119.08585	4.0
121.10136	4.2
122.09663	2.1
123.11674	1.3
133.10162	3.5
135.11668	2.3
136.06209	2.0
147.11665	1.5
169.21901	1.0
191.18021	1.3
250.25314	9.0
262.25238	4.0
280.26364	100.0
281.26697	1.6
298.22501	1.3
298.27319	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05507	2.0
56.96563	1.8
62.42455	0.5
69.07075	0.6
69.38219	2.7
69.38651	1.6
70.95869	6.1
72.93805	0.5
82.99873	1.1
83.04980	3.4
85.01402	1.6
88.96887	0.7
98.20790	1.1
98.97587	13.5
99.04470	0.7
99.97933	1.3
101.00885	6.6
103.02439	3.7
111.04436	2.8
111.11715	0.7
113.05992	1.2
114.95600	0.6
116.98636	5.8
119.01070	0.8
119.01928	16.1
120.02054	0.9
121.01573	0.5
121.03491	0.8
123.02931	0.5
125.04495	0.6
125.95192	0.5
127.07539	2.2
129.03995	0.7
134.99680	1.8
137.02992	2.7
141.03984	1.8
143.05531	7.4
145.03481	7.7
147.05029	5.1
155.05594	1.5
155.07024	15.9
157.03429	0.9
157.07109	7.2
159.05032	1.6
161.06621	5.5
163.04538	6.6
165.06120	2.5
167.05501	1.0
169.03484	1.0
169.07108	4.4
171.05037	3.3
173.06615	1.2
174.97653	2.2
175.08188	7.7
177.00963	3.5
177.03958	0.6
178.01067	3.0
179.98381	0.7
183.08665	0.8
185.06602	8.8
187.04539	2.7
187.08165	10.6
189.06076	14.1
190.95041	1.0
191.94945	3.4
192.94933	1.5
192.98676	1.2
195.05067	2.3
201.00905	0.6
201.06256	0.6
201.09734	2.3
202.22148	0.5
203.02481	0.8
203.07610	2.5
204.02673	0.9
205.05629	0.7
206.94308	0.5
207.07138	1.1
208.96117	1.5
209.96089	2.7
210.95987	1.5
211.04488	4.6
211.08116	1.0
213.06116	8.6
213.09630	4.7
214.95613	2.4
219.01968	5.6
220.02145	4.1
221.01913	0.9
222.01941	1.6
225.95525	0.6
226.01144	0.6
229.05580	2.7
231.07156	2.7
231.10716	0.6
232.96751	4.0
233.96028	5.6
234.96005	1.2
237.06017	1.4
239.07652	1.5
240.98355	0.6
244.02228	1.5
248.94817	0.6
250.97523	2.0
251.97169	4.6
252.96898	2.0
255.07178	3.2
255.10762	5.3
256.96674	5.3
257.08701	6.1
257.96460	1.7
258.99826	4.7
261.03088	2.4
262.03214	15.6
263.02853	1.4
267.95758	0.8
274.97623	7.9
275.04642	1.1
275.97226	20.4
276.04861	2.1
276.97034	3.6
277.00739	4.5
280.96881	0.8
283.02975	0.8
292.98395	2.0
293.98322	9.0
294.97974	2.2
298.97794	14.1
299.09763	100.0
300.06638	0.7
300.09903	2.4
316.98813	15.8
317.10724	5.4
317.19919	0.5
317.98880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45707	1.7
53.03955	2.2
54.81752	1.7
55.01871	3.4
55.05502	3.2
55.78065	1.6
56.96556	5.1
57.03431	6.6
61.02922	10.3
62.59348	1.9
64.95600	1.8
69.03432	17.3
69.86996	3.1
69.87418	8.2
70.06576	2.9
71.04992	3.3
73.02902	6.4
73.04763	2.6
73.06560	16.9
81.03409	7.5
83.04945	2.8
85.02906	100.0
86.09712	3.1
87.04449	4.3
91.03944	6.8
92.29935	2.2
97.02890	23.2
98.97607	3.9
99.04465	3.2
109.02869	9.7
111.04447	2.4
119.07120	2.8
121.02888	2.4
124.03957	19.9
124.04765	3.8
127.03928	24.0
136.06175	41.9
137.02342	7.7
145.04965	49.0
150.05458	2.2
151.03772	2.0
153.01852	4.3
154.02156	2.6
163.03963	3.9
163.06050	10.6
175.18933	1.9
183.06616	3.6
191.98642	1.7
208.06854	3.2
229.04959	2.2
267.99960	2.6
276.03192	1.9
284.02933	2.3
298.09555	3.6
298.12680	2.2
299.05948	4.3
300.06433	5.4
307.53284	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1149
Annotation	Nelarabine
Peak:m/z	Relative Intensity
53.03960	0.5
55.01866	0.7
55.05500	0.6
56.96571	4.0
57.03449	2.1
59.04990	0.5
61.01141	0.8
61.02926	1.1
69.03437	4.3
70.06583	0.5
71.01333	0.5
71.04989	0.7
71.48415	0.8
71.62743	0.4
73.02915	2.0
75.94099	0.4
77.03963	0.4
81.03411	1.8
83.04972	0.4
84.08138	0.6
84.96030	0.7
85.02913	6.7
87.04443	0.8
91.04005	0.5
91.05464	0.8
97.02908	4.8
98.97595	11.5
99.04474	0.5
101.06033	1.2
107.04974	0.6
109.02898	0.9
109.05107	0.9
110.01332	0.5
110.03526	0.9
110.97572	2.5
116.98610	3.7
118.06563	0.8
119.04945	0.5
119.07088	0.4
120.08087	0.5
120.14351	0.4
124.03964	7.8
124.99130	0.8
127.03932	1.5
128.02347	0.7
128.04510	0.6
128.98618	2.5
133.02878	3.1
134.98613	0.5
134.99638	0.8
135.03003	1.3
135.04411	0.9
136.06201	14.4
137.05966	2.3
139.03941	0.5
142.08670	0.4
143.00177	1.8
145.04961	1.3
146.99628	0.6
147.04422	1.8
149.04613	7.6
149.05867	0.6
152.05682	8.3
153.01848	0.7
153.04128	2.8
158.99692	2.2
161.01231	1.0
163.03917	1.2
166.07262	100.0
167.05675	5.7
167.07063	0.9
170.99635	0.4
177.00755	1.8
184.03931	1.2
189.00674	0.7
191.02400	0.5
191.03859	2.6
193.04427	5.8
193.10928	0.5
200.04610	0.4
201.00722	0.5
202.05019	2.6
204.55203	0.7
206.08102	1.0
208.00485	0.6
208.04938	0.5
219.01860	1.1
219.54565	0.4
223.02812	0.6
226.01436	0.6
229.05360	1.3
237.02895	1.8
238.10686	0.9
239.11411	1.0
241.03828	1.6
244.05940	1.0
255.03937	0.8
256.05969	0.5
265.03870	1.9
265.06561	4.1
274.07068	10.2
274.57162	1.6
274.97501	1.5
280.11743	0.8
283.04779	0.7
292.98572	0.9
298.09363	1.9
298.12784	1.5
298.17697	0.9
300.06256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.01159	5.0
69.03429	0.5
69.19499	0.5
69.19907	2.3
75.02711	2.8
76.86729	0.3
83.09313	0.2
94.04058	0.4
96.69903	0.2
97.02913	1.7
103.02186	0.4
114.61828	0.3
119.03577	1.2
136.06201	100.0
137.04605	0.3
145.03209	1.3
150.74146	0.3
153.51654	0.2
163.04240	1.5
169.39662	0.2
179.41989	0.3
179.54649	0.2
222.07137	0.2
298.09729	3.5
298.12802	0.4
313.10373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93530	3.4
56.96574	2.9
70.95870	20.4
71.47539	1.0
71.95271	1.1
72.93767	0.6
88.96893	2.2
98.97590	30.1
101.00885	3.8
111.22350	0.5
116.98634	15.3
119.01920	5.4
132.95811	3.3
134.99686	4.0
137.02924	0.6
150.96870	2.3
153.00713	0.5
158.99904	1.0
172.94026	1.9
177.00946	4.2
179.00758	1.4
180.17561	0.6
190.94910	19.0
191.95062	0.7
201.01009	0.8
203.02541	1.2
206.94395	4.9
208.95953	17.9
208.97943	1.1
214.95079	1.5
216.98634	0.6
217.03944	0.8
219.02014	7.4
220.02116	0.5
221.01778	5.8
224.95407	1.7
225.01108	0.6
232.95963	27.1
233.96581	1.0
234.99762	0.6
242.74377	0.6
243.02022	2.8
247.94670	2.1
250.97032	20.5
252.81564	0.6
256.96188	5.9
261.03079	24.0
265.95770	1.0
274.97101	100.0
275.04343	4.6
275.97247	1.2
284.04630	0.7
292.98187	32.6
297.98825	1.7
298.06244	0.8
298.18707	3.0
299.09778	1.3
300.06302	0.7
315.99631	0.8
316.07242	1.2
316.19635	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.279
Annotation	Lactobacillic acid
Peak:m/z	Relative Intensity
51.92453	0.6
53.03947	1.5
55.01877	1.3
55.05516	17.8
57.07083	7.1
59.05004	4.7
67.05512	8.7
69.03434	1.8
69.07074	100.0
71.04993	1.2
71.08641	2.5
71.49933	0.8
79.05510	5.1
81.03428	1.0
81.07065	22.0
81.07540	1.4
83.04998	1.5
83.08621	19.2
83.71488	0.6
84.27745	0.6
85.06538	4.0
91.05494	1.8
93.07058	11.6
95.04953	0.8
95.08617	23.6
97.06539	4.3
97.10172	5.6
98.25072	0.6
99.08115	3.8
99.24927	0.6
105.07057	2.1
106.81638	0.5
107.08605	10.7
109.10162	13.9
111.08092	2.7
111.11732	14.7
113.09641	1.0
119.08620	1.7
121.10153	9.2
123.11716	7.6
125.09621	0.8
125.13284	0.9
127.11205	1.3
129.12727	1.1
131.08611	0.9
133.10184	0.9
135.08165	0.7
135.09190	0.6
135.11729	4.8
137.12337	0.6
137.13243	3.9
139.11206	6.4
143.08540	0.7
149.13260	7.6
149.26865	0.6
151.14857	1.8
153.01823	2.0
153.12805	1.1
157.10135	1.1
163.14809	1.2
164.85638	0.6
165.07021	1.2
165.16400	1.8
167.14290	3.2
177.07063	1.2
177.12708	0.9
177.16396	2.1
181.04945	0.7
181.10199	0.9
181.15846	0.8
191.17989	1.8
194.07327	2.4
195.17302	0.7
205.06516	2.7
205.19540	1.7
209.19019	1.0
211.07558	1.3
221.06020	1.0
222.06744	3.3
233.06056	1.5
237.09122	6.0
239.07074	0.9
250.06288	2.2
261.25793	2.1
265.08612	8.6
267.42697	0.6
269.11819	0.8
279.26822	7.0
282.08771	1.4
297.07834	1.1
297.11279	13.0
297.18402	2.1
297.22144	2.3
297.27930	33.9
306.85782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.01863	3.3
55.05510	18.8
57.03442	47.8
57.07085	9.0
59.03857	2.0
67.05513	57.6
69.07071	30.1
70.10151	1.7
71.05003	2.6
71.08625	2.0
71.50422	2.8
72.93758	1.7
75.49827	2.0
79.05502	32.2
81.07063	70.1
83.05022	5.0
83.08618	19.1
85.06551	14.3
91.05489	17.9
93.07050	43.4
95.08618	67.2
97.06551	26.7
97.10187	15.7
97.55148	1.6
99.08084	3.2
103.57588	1.8
105.07048	13.9
107.08600	39.9
109.10165	41.8
111.08096	7.4
111.11718	7.5
117.07044	4.6
119.08598	9.6
121.10150	46.0
123.08117	3.1
123.11717	17.2
125.03816	2.2
125.09634	4.3
131.08591	8.3
133.10133	13.8
134.39056	1.6
135.11713	26.3
137.13280	10.6
139.11214	3.5
141.12761	5.8
143.08600	2.5
145.10135	5.2
147.11713	14.2
149.09663	2.4
149.13283	11.9
151.14888	2.3
155.14308	5.9
159.11766	5.8
161.13277	10.7
163.14853	8.4
165.12852	2.7
173.13293	6.8
175.14835	3.4
177.16399	3.6
183.11595	2.6
187.14861	5.7
189.16457	7.3
207.17465	2.5
208.88504	2.8
209.13326	3.3
215.10774	4.4
215.17967	2.1
217.13416	1.9
221.13248	1.9
233.22647	19.2
243.21167	13.4
250.89525	4.9
251.18015	8.1
251.23708	7.0
261.22110	26.9
273.91077	3.0
279.23233	100.0
280.23596	1.9
293.85938	1.9
297.15247	2.0
297.18451	8.1
297.22174	8.3
297.25009	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	297.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.4
53.16520	3.7
55.01872	16.7
55.05497	14.6
56.14869	3.0
57.03443	21.8
57.07051	5.8
57.89915	3.5
61.02915	13.1
67.05501	28.1
69.03089	4.9
69.03432	59.3
69.07052	11.7
69.73007	17.5
69.73401	7.5
70.31012	4.1
71.01345	5.8
71.04977	11.7
73.02908	15.9
77.23553	3.3
79.05493	30.3
81.03418	42.3
81.07057	64.5
83.04974	14.6
85.02906	86.8
87.04454	8.5
91.05478	29.2
93.07042	100.0
94.69849	3.1
95.04974	27.0
95.08607	33.0
97.02892	34.6
97.06522	8.5
99.04459	17.7
99.20327	3.7
99.58684	3.8
103.03940	11.7
105.07033	63.1
107.04929	10.7
107.07886	6.5
107.08595	99.6
109.02866	11.9
109.06523	20.6
109.10179	31.4
111.04452	11.2
115.03944	9.8
117.07024	14.9
119.04919	4.4
119.08582	36.8
121.06474	13.6
121.10154	46.7
123.04436	13.9
123.08080	9.6
123.11708	11.9
125.05997	5.5
127.03928	19.8
128.06203	4.0
129.05550	4.2
129.07039	8.0
130.07805	4.5
131.08565	18.3
133.04980	4.1
133.06436	9.0
133.10127	39.3
135.08060	10.1
135.11696	92.1
137.05995	11.1
137.09631	13.1
141.05408	4.5
142.07808	8.1
143.08540	7.1
145.04950	12.5
145.06381	3.8
145.10143	25.0
147.08057	12.2
147.09187	11.0
147.11687	34.6
149.09644	6.4
149.13272	10.0
151.07565	4.9
151.11157	16.7
153.01833	15.7
153.12787	18.0
155.08572	5.3
157.10144	8.7
159.08075	8.0
159.11688	26.1
161.09613	9.3
161.13225	8.5
163.08690	6.3
163.11185	14.2
164.24168	3.7
165.06973	11.3
165.12723	14.8
166.07794	7.3
171.11638	7.0
173.09673	7.8
173.13211	6.0
175.08730	20.3
175.11150	13.7
177.12747	22.7
183.11693	5.5
187.11183	5.5
189.07451	3.8
189.12761	7.3
191.14346	4.4
193.12152	4.0
194.07301	20.0
195.10127	3.6
201.12700	11.8
205.06439	7.5
211.07584	4.6
219.13800	9.0
222.06842	8.8
231.13853	7.8
233.15247	4.0
237.09084	10.2
243.13788	10.4
249.14787	4.8
250.77029	4.5
261.14923	27.2
265.08643	41.4
279.13370	7.5
279.15903	33.5
297.11496	40.0
297.14426	9.2
297.17047	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1124
Annotation	Strobochrysin-dimethylether
Peak:m/z	Relative Intensity
50.02079	0.7
66.83620	0.6
67.05485	1.5
69.07092	1.0
69.68607	5.2
74.37125	0.8
79.05474	1.4
81.03409	1.6
81.07038	2.3
89.65723	0.7
90.19309	0.7
91.05460	1.9
93.07019	1.9
95.04943	1.1
95.08595	2.3
98.20802	0.9
105.07003	0.9
107.04954	1.1
107.08600	1.1
111.95363	0.7
115.05412	0.8
116.50468	0.7
119.08568	1.1
121.10113	0.9
131.04857	0.8
137.05968	1.2
145.10094	0.9
151.03889	2.1
152.06238	1.0
153.01828	2.9
165.07002	3.1
166.07748	1.8
174.06682	0.9
176.06242	1.0
177.07001	13.1
181.06509	1.9
183.08104	1.8
185.13242	1.2
191.08578	1.1
193.06482	2.3
194.07288	14.7
195.08008	1.4
197.05984	1.5
204.05759	0.9
205.06508	30.2
206.07314	1.8
207.08041	1.1
209.09576	2.0
211.07576	6.2
219.08105	2.9
221.06027	4.7
222.06766	20.6
223.07558	3.9
226.09894	1.6
233.06049	7.7
234.06793	5.7
237.09126	55.7
238.09723	1.3
239.07060	7.2
247.07561	2.9
250.06296	14.4
251.06990	7.2
253.08679	1.7
254.09354	6.4
264.07822	1.3
265.08612	79.1
266.09427	8.1
267.06479	2.9
267.73175	0.8
269.08121	0.7
269.11743	2.9
277.51300	0.8
279.10165	2.3
282.08868	13.5
284.21478	0.8
297.08087	3.4
297.11218	100.0
297.18430	2.8
298.11673	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
55.01871	0.9
57.03428	0.3
61.02926	0.7
69.03434	24.7
70.65444	1.0
79.01863	4.4
79.05489	0.4
81.03411	1.0
81.51624	0.3
91.05435	0.5
93.07053	0.3
95.04950	0.4
97.02883	2.9
97.16073	0.3
99.04431	1.0
103.05482	1.0
105.07020	0.6
107.01300	0.9
107.04951	0.5
109.02889	1.6
115.05484	0.6
119.04967	0.8
121.06544	0.4
123.04431	0.4
125.02347	3.4
127.03928	12.1
128.56415	0.4
131.04947	2.9
133.02870	0.8
135.04402	0.3
137.02351	0.8
139.03891	0.9
143.03392	5.4
143.04636	0.4
143.04944	0.4
145.14140	0.3
147.04428	2.0
147.08049	0.4
147.66464	0.3
149.06023	0.6
151.03926	1.0
153.01840	100.0
153.02896	5.6
154.02174	0.7
159.04428	4.3
161.02264	0.4
161.05997	1.0
163.03900	2.4
165.01819	1.2
165.05519	0.7
165.06898	0.5
165.44637	0.3
166.07829	0.4
175.03912	2.4
177.01839	0.4
177.05545	2.4
177.06975	0.5
179.03400	5.2
179.07079	0.6
180.34537	0.3
181.01343	4.3
183.02873	1.7
187.03874	1.9
189.05513	0.6
191.03406	3.5
193.01253	0.3
193.04991	1.8
193.06558	0.4
194.07323	0.9
195.02937	1.4
197.00818	0.4
203.03435	0.5
205.04964	7.2
205.06573	0.8
207.02896	5.5
209.00882	0.6
209.04503	1.4
210.79947	0.3
211.02357	0.7
215.03403	1.6
217.04947	0.4
219.02901	0.9
221.04366	2.2
222.06729	0.8
223.02423	2.9
233.04407	6.4
235.02321	0.4
237.03995	2.6
237.09102	1.2
238.40887	0.3
239.06880	0.4
243.02896	0.5
249.03949	1.1
250.06306	0.6
251.05321	1.6
254.09445	0.5
261.03958	2.4
265.08569	2.0
267.04907	2.1
279.04895	1.6
282.08896	0.5
297.06094	9.4
297.11261	4.9
297.14676	0.4
299.06244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15587	5.6
55.05510	15.1
57.03435	28.9
61.02911	6.1
69.03426	12.1
69.07072	7.0
69.96373	27.3
70.06595	6.0
71.04982	25.0
75.04475	12.1
79.05493	13.9
81.03419	7.3
81.07061	93.0
85.02907	18.1
86.09732	9.3
97.02855	8.3
99.08102	100.0
109.02861	6.8
117.09135	19.6
135.04453	5.1
135.97452	5.4
136.07588	7.2
137.07901	8.0
150.07799	8.0
151.08214	6.6
153.01814	21.0
163.03940	7.2
171.02837	5.8
191.03574	6.7
267.79254	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	297.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.2
53.03947	10.6
55.01868	0.9
55.05506	0.7
57.03450	0.7
60.06268	0.6
69.03433	18.1
69.27467	4.9
71.04985	2.9
77.45948	0.5
79.01854	4.7
79.05489	1.6
81.03422	100.0
81.07053	1.4
85.02906	2.7
91.05495	2.3
93.07066	1.0
95.08620	1.0
97.02903	4.2
99.04466	4.7
103.05463	1.2
105.07034	1.4
107.01324	2.1
107.08602	0.7
109.02885	34.6
111.04477	0.5
117.03363	0.5
118.04206	0.7
119.04932	0.9
119.08538	0.6
121.06522	2.1
125.02365	3.7
127.03921	6.3
130.04134	1.1
131.04971	1.1
133.10144	0.5
135.11693	0.6
137.05963	1.2
139.09024	0.5
143.03406	6.2
145.06503	2.1
146.03650	2.5
147.04425	3.2
149.06004	1.5
153.01842	94.2
153.02896	5.3
154.02289	0.5
161.05991	5.5
162.06789	4.2
165.05516	0.6
165.06950	0.9
166.07779	1.0
170.02156	0.9
171.02885	4.2
173.05995	2.5
177.05473	1.4
177.06973	0.6
181.10147	0.8
194.07297	1.3
195.08028	0.8
205.04935	0.6
205.10162	0.8
207.02957	0.7
209.09657	1.4
213.09160	0.8
221.06062	0.8
222.06841	1.2
223.02275	0.6
223.07556	0.9
237.09087	1.7
241.08656	0.6
250.06212	0.9
251.07076	2.3
251.10678	0.6
253.08447	0.8
265.08688	3.8
269.11713	0.8
279.10202	1.4
279.15939	1.0
282.08932	1.2
297.06058	61.4
297.11099	17.5
299.06396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94266	0.5
57.03417	0.4
58.63137	0.4
61.60278	0.4
67.05473	0.5
70.95822	0.8
71.06402	0.4
72.93758	0.9
74.94495	0.3
81.03365	1.4
81.07010	1.1
90.94805	0.6
91.05424	0.5
95.08549	0.5
98.97580	0.7
105.06975	0.5
123.87643	0.4
126.98385	0.6
153.01794	1.2
154.97882	0.6
165.06961	0.6
177.06895	0.4
178.07729	2.1
179.01558	0.4
179.08536	4.0
189.06953	1.4
190.07758	2.6
191.08557	4.4
192.09203	0.6
192.99448	0.5
193.06372	0.5
193.10114	0.7
194.07224	0.4
197.06145	0.4
202.07758	1.6
203.08586	4.4
204.09276	1.1
205.06490	2.2
205.10143	2.5
206.07248	1.0
207.08063	6.3
208.08678	1.1
209.09563	0.5
215.08614	0.7
217.06540	1.9
218.07285	4.6
219.01089	1.1
219.08073	9.6
220.08855	0.7
221.06062	4.5
221.09607	5.4
222.06711	1.3
222.10368	2.1
223.07498	0.7
231.07971	0.8
232.08754	1.0
233.09648	4.5
234.10410	32.6
235.07553	34.2
235.11237	0.9
236.08272	6.4
237.02127	2.1
237.09068	2.0
238.09943	0.7
249.09097	3.0
250.09903	48.8
251.10413	0.5
253.12180	0.9
255.03174	4.2
265.12247	100.0
266.12546	1.1
273.04218	3.5
276.41052	0.4
281.07956	0.7
296.10324	2.2
296.16464	27.0
297.03976	0.5
297.11154	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03946	10.4
55.01881	43.7
55.05517	63.5
56.96553	4.7
57.03447	6.2
57.07064	15.4
67.05196	6.5
67.05511	89.2
69.03426	9.1
69.07069	35.5
69.75896	14.7
69.76295	9.4
71.05005	6.1
71.08636	33.7
79.05495	48.3
81.02998	3.6
81.03422	18.5
81.06605	5.0
81.07065	81.2
83.05003	19.2
83.08624	34.2
85.06529	7.0
85.10155	12.8
91.05492	56.1
93.07057	66.6
95.04975	21.1
95.08620	53.5
95.87589	3.2
97.02981	4.0
97.06544	19.2
97.10188	22.4
99.08118	25.2
105.07043	41.7
107.04978	7.5
107.08614	32.8
109.06507	10.8
109.10162	31.1
111.08087	50.4
113.09609	5.3
113.13460	4.0
117.06992	8.0
119.08596	28.1
121.10158	33.1
123.08075	17.4
123.11710	12.7
125.09612	16.0
129.07039	7.3
131.08595	11.9
133.10138	29.8
135.11705	20.7
137.09648	12.3
139.11176	16.2
143.08586	8.6
145.10135	12.0
147.11711	27.8
149.09654	9.6
149.13283	17.2
151.11180	38.2
153.09116	4.8
153.12762	6.1
157.10117	12.2
159.11714	8.4
161.09657	4.6
161.13239	19.2
163.11179	11.5
163.14818	5.1
165.12767	28.4
171.11726	9.4
175.11180	8.9
175.14848	8.6
179.14331	10.8
185.13306	9.7
187.14822	4.8
189.11261	4.0
189.12973	3.7
193.16045	4.1
194.10295	4.3
199.14838	8.0
203.08011	3.5
207.13766	5.7
231.21198	5.1
235.22321	4.5
241.19548	9.2
244.68001	4.5
249.22113	8.6
259.20554	16.4
277.21667	100.0
295.09537	8.1
295.20331	5.2
295.22699	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03957	27.1
55.01863	9.0
55.05280	3.0
55.05518	37.2
56.96538	2.7
57.07059	10.2
57.07317	2.6
62.90559	2.9
67.05508	74.6
69.07070	50.8
71.08610	3.8
79.05495	47.9
81.03423	91.9
81.07065	75.2
82.95672	3.6
83.04967	19.4
83.08624	16.3
85.10165	4.4
91.05482	27.0
93.07052	44.2
95.04980	46.7
95.08612	34.6
97.06545	3.7
97.10159	10.5
99.08125	3.4
105.07028	25.2
107.08590	36.1
109.06496	11.4
109.10171	25.7
111.08091	5.6
117.06995	4.7
119.08574	13.6
121.06463	3.7
121.10138	13.2
123.08028	6.6
123.11686	11.6
125.09616	12.5
129.07008	3.3
131.08525	3.5
133.10153	20.6
135.08078	4.7
135.11679	11.3
137.09627	3.5
137.13251	3.4
143.08521	3.7
145.10126	7.0
147.11705	19.7
149.09575	3.1
149.13239	7.8
151.11195	62.7
153.09085	6.7
157.10129	5.1
161.13264	18.7
163.14760	3.2
165.12759	9.3
171.11656	5.8
173.13136	4.6
175.14902	8.6
179.14349	5.2
185.13089	6.2
189.12868	5.6
193.12242	4.4
197.13318	3.4
199.14903	3.7
207.13722	5.8
217.19566	4.4
231.21085	13.6
231.26897	3.1
241.19637	6.7
249.22131	7.1
254.81224	2.9
259.20578	9.5
277.21637	100.0
295.20633	4.8
295.24133	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
55.01870	9.4
55.05507	31.9
57.07075	9.6
67.05509	68.7
69.07072	23.4
70.00043	4.2
71.08369	3.6
71.08647	40.2
79.05499	50.2
81.03426	8.0
81.07059	67.1
83.04974	10.1
83.08622	17.3
85.06541	5.6
91.05492	28.1
93.07047	74.9
95.04984	7.6
95.08607	49.7
97.06554	10.2
97.10190	7.7
98.39030	4.1
99.08094	32.4
105.07037	28.0
107.08606	51.7
109.10173	26.1
117.07059	5.6
117.61040	4.3
119.08604	23.1
121.10149	38.6
123.11720	8.3
125.09623	7.0
125.60910	4.2
129.07019	5.7
130.28853	4.2
131.08611	14.9
133.10156	23.4
135.11705	49.5
143.08592	7.4
145.10152	12.8
147.11688	10.6
149.13260	14.3
151.11208	14.0
157.10176	13.0
159.11758	16.4
161.13318	13.7
163.11194	5.6
171.11734	12.5
173.13277	12.6
175.14853	7.1
177.12695	4.6
179.14320	100.0
183.11725	6.1
185.13298	8.6
187.14868	11.6
197.13309	7.7
199.14775	5.2
201.16463	4.9
211.14810	8.2
213.16454	6.3
225.16399	7.8
239.17981	9.8
253.19409	6.5
277.21640	45.3
295.20856	7.8
295.24277	98.8
296.24286	5.0
302.20688	4.5
316.06128	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
53.03946	6.4
55.01867	3.7
55.05513	29.9
56.96566	3.4
57.03442	28.2
57.07081	11.7
64.91024	2.3
65.03938	3.4
67.05512	87.0
69.03433	4.4
69.07074	20.4
69.29736	17.2
71.04986	4.9
71.08636	24.4
74.40097	2.4
79.05500	38.2
81.03413	7.0
81.07063	100.0
81.07542	5.0
83.04974	8.5
83.08640	15.3
85.06546	7.1
86.09722	6.4
91.05489	19.2
91.17532	2.2
93.07050	40.0
95.04967	12.0
95.08614	38.6
97.06543	7.2
97.10183	14.5
98.20802	3.7
98.98513	3.0
99.08097	20.6
105.07047	23.7
107.04965	4.5
107.08613	26.9
109.06505	6.8
109.10168	27.6
111.08082	7.2
111.11689	3.0
113.09628	2.9
117.07035	5.1
119.08589	14.8
121.10140	23.4
123.08091	5.6
123.10841	4.4
123.11710	63.5
125.00000	2.7
125.09632	10.8
128.06223	2.1
129.07018	5.6
131.08578	7.7
133.10197	15.3
135.08073	3.5
135.11691	17.4
137.09630	6.6
137.13242	3.9
139.11197	6.0
143.08595	8.4
145.10121	11.4
147.11714	11.9
149.13315	14.4
151.11198	26.3
153.12805	2.3
155.08463	2.5
155.10721	2.5
157.10123	7.7
159.11646	5.9
161.13297	14.5
163.11192	7.1
163.14867	2.1
165.12755	3.7
169.10097	4.8
169.12260	5.4
171.11703	7.2
173.13245	3.4
175.14832	4.8
177.12723	3.0
179.14320	7.9
180.12941	1.9
181.16096	2.1
184.07443	10.1
185.13266	6.2
187.13304	6.7
187.14806	4.7
189.11259	3.8
199.14841	6.5
213.16327	4.7
223.14825	2.4
225.16388	3.1
231.21027	9.4
239.18069	3.6
241.19595	3.6
249.22243	2.7
252.18306	2.3
259.20645	6.0
277.18875	3.5
277.21664	39.0
295.20218	5.0
295.23920	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	295.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01869	2.0
55.05508	3.6
55.13357	1.9
57.03440	3.5
61.02949	1.9
65.03597	2.0
67.05493	3.8
69.03428	11.6
69.07069	3.0
71.05000	5.1
71.49485	2.0
71.49852	2.2
79.05502	5.0
81.03419	3.8
81.07053	5.4
83.04993	11.3
85.02900	4.8
87.04458	2.9
91.05488	5.1
93.07031	3.0
93.52435	1.8
95.04959	3.7
95.08613	4.1
97.02885	5.6
97.06503	3.5
99.04458	5.7
103.05478	4.8
105.07027	5.4
107.04971	2.4
107.08611	4.5
109.02898	2.9
109.06539	3.0
109.10159	4.1
111.04531	2.1
113.05997	2.3
115.04076	1.9
115.05480	4.3
117.06982	3.0
121.06500	2.2
122.03645	9.0
127.03973	2.8
129.07021	3.0
131.04939	6.9
133.02875	2.4
133.06480	3.3
135.04454	2.4
135.11743	2.4
136.05180	2.0
137.05981	100.0
141.06964	2.4
145.06496	3.0
147.04440	3.1
149.05994	6.9
151.03911	3.4
151.07538	7.4
157.06543	5.2
159.04384	4.7
160.05190	3.1
161.05998	2.5
163.07591	4.6
165.05490	2.1
171.04399	2.8
171.08047	3.4
173.06021	3.8
174.06755	3.1
175.07523	6.6
176.04680	2.5
177.05452	9.0
179.07137	3.1
179.08560	2.5
185.05966	2.9
187.07532	2.9
189.09103	6.0
191.07014	15.9
199.07632	5.6
199.30829	2.0
203.07034	7.3
205.08682	2.8
207.08102	3.8
217.08672	3.7
221.08168	4.4
231.10135	4.2
233.08078	6.1
259.09674	2.8
277.10666	5.3
295.09393	9.4
295.18848	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	294.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96448	0.4
55.61519	0.4
57.07063	1.0
63.39891	0.4
65.41117	0.4
65.52507	0.5
67.05500	0.7
69.07044	0.4
69.26707	1.0
69.27124	3.0
71.08630	0.7
79.05493	1.3
81.07069	1.3
91.05479	0.9
92.05809	0.4
94.04176	2.7
105.07046	0.5
105.53365	0.4
107.04918	0.5
109.06521	1.1
109.10175	0.7
109.56835	0.4
121.10135	0.7
122.03664	7.1
137.05983	100.0
138.06201	0.5
141.12735	2.5
145.18330	0.4
158.15392	1.4
170.15372	0.6
197.30887	0.5
250.73430	0.5
276.20474	0.7
294.22961	0.9
295.24338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59909	0.1
53.03930	0.1
54.02200	0.1
55.01870	0.2
57.03447	0.6
57.04565	0.7
61.02914	0.1
67.05500	0.2
69.03435	2.0
70.08867	0.3
70.09265	0.2
71.04998	0.1
79.05485	0.2
81.03409	0.5
81.07062	0.2
82.04056	0.2
83.04974	0.2
85.02914	1.4
85.31898	0.1
87.04482	1.1
88.03996	0.3
91.05482	0.4
93.07043	0.2
94.03528	0.2
94.04066	2.7
94.06564	0.4
95.04971	0.3
96.05605	0.4
97.02887	1.8
97.06533	0.3
99.04458	0.3
103.03934	0.2
105.07043	0.2
106.04079	0.3
107.04971	0.2
107.08704	0.1
108.04368	0.1
109.02875	0.2
109.05138	0.2
111.04449	0.1
112.05094	0.3
115.03928	1.5
115.05488	0.1
117.07021	0.1
119.03560	0.3
119.08593	0.2
120.08115	0.2
121.05103	0.3
123.04448	0.1
123.06679	1.9
127.03885	0.2
131.04988	0.2
132.95787	0.2
133.05026	1.8
133.10101	0.1
135.04480	0.1
135.05406	0.4
136.07530	0.1
137.05988	0.2
145.04959	0.6
146.06020	0.6
147.04492	0.2
147.08089	0.2
148.06183	0.5
150.07761	100.0
151.03894	0.5
151.08023	0.5
163.03918	0.6
174.05516	0.3
174.96815	0.1
177.05476	0.4
203.07143	0.1
213.01849	0.1
295.08649	0.2
295.11563	2.8
295.15063	0.2
295.16354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.05480	0.5
57.07067	0.7
59.61605	0.3
59.78877	0.4
61.74715	0.3
63.04965	0.3
67.05497	1.2
68.37543	0.4
70.74507	0.7
79.05510	1.6
81.07053	2.6
83.08657	0.3
86.53522	0.3
91.05495	1.0
93.07013	0.3
93.29175	0.3
94.04184	2.1
95.04958	0.3
95.08613	0.6
103.68394	0.4
105.07029	0.4
107.08614	0.6
109.06536	0.8
111.98305	0.4
119.08685	0.3
121.43797	0.4
122.03655	6.9
123.11745	1.6
133.10109	0.4
134.24883	0.3
137.05988	100.0
138.06253	0.4
158.15414	1.5
170.15430	2.2
210.02252	0.4
276.20563	1.1
294.20752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03957	1.3
55.05515	17.8
57.03430	0.9
57.07082	8.8
58.45373	0.6
65.03951	0.9
67.05511	23.1
69.03435	1.1
69.07073	32.7
70.88254	0.9
71.04987	0.8
71.08631	3.0
78.90295	0.6
79.05495	9.6
81.03452	1.0
81.07061	100.0
83.08624	15.4
85.02908	0.9
85.06544	7.8
85.10207	1.1
91.05490	1.7
93.07055	11.1
95.04990	0.7
95.08614	78.9
97.06554	1.3
97.10173	10.3
99.08087	3.9
103.05469	3.4
105.07050	2.6
105.42848	0.6
107.08596	11.0
109.10163	45.0
111.08115	1.5
111.11727	3.9
113.09688	1.8
116.16283	0.7
119.08574	1.2
121.06498	0.6
121.10149	7.4
123.11714	20.2
125.09670	1.1
125.13293	0.9
131.04948	9.6
131.08540	1.4
133.10245	0.8
135.11690	5.4
137.13263	12.0
137.25241	0.6
139.11151	0.6
149.09558	0.9
149.13268	6.8
151.14835	11.0
153.12764	0.9
161.13242	0.7
163.14871	3.2
165.16447	2.2
177.16386	1.3
179.18051	1.3
183.11826	0.6
191.17978	1.1
205.19606	1.2
219.21107	1.2
223.20575	0.9
237.22194	0.8
275.20105	1.4
275.27435	2.6
293.08115	1.5
293.22910	1.4
293.28384	15.5
293.31458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05300	1.2
55.05510	11.6
56.01043	1.3
57.07065	4.7
60.41305	1.4
65.03936	2.4
67.05505	89.8
69.07074	11.5
70.08496	5.7
70.34656	1.4
72.31797	1.5
79.05492	10.9
81.07057	100.0
83.04957	1.7
83.08606	5.6
85.06551	1.8
90.78016	1.2
91.05455	5.4
93.07041	14.4
94.98392	1.3
95.08609	70.8
97.06515	3.1
97.10150	3.1
105.07021	4.4
107.08607	9.6
109.06502	2.5
109.10160	44.0
111.04381	1.7
111.08020	1.7
112.51739	1.7
119.08553	4.4
121.10183	9.0
123.08050	2.8
123.11711	28.7
125.05984	1.6
131.08578	5.4
133.10121	6.0
135.11719	7.1
137.13246	10.8
141.09164	1.7
143.39809	1.5
145.10110	2.1
147.11679	4.2
149.09628	2.5
149.13232	3.0
151.14873	3.6
152.09366	1.5
159.11725	3.7
161.13176	3.3
163.11240	2.0
163.14790	5.1
173.13263	5.7
177.12717	3.0
177.16341	1.6
179.14346	2.0
181.05035	1.9
187.14838	3.2
189.24612	1.7
191.14343	2.3
195.10144	1.4
201.16316	1.7
206.23059	1.6
209.11710	5.0
237.11205	6.4
243.21106	5.8
261.22156	9.3
293.21671	3.1
293.24814	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	293.2112
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.02361	1.8
53.03944	6.4
55.01873	11.8
55.05513	40.3
57.03432	5.3
57.07072	5.6
61.05138	1.7
65.03941	2.1
67.05512	50.3
69.03437	5.6
69.07067	32.2
70.12541	5.0
71.05009	4.1
79.05497	47.9
81.03425	13.1
81.07061	82.9
83.04993	11.1
83.08632	19.4
85.02916	4.0
85.06538	6.3
91.05476	36.7
93.07055	42.4
95.04964	15.4
95.08614	42.3
97.06544	10.7
97.10181	13.9
99.08089	2.3
103.05482	20.3
105.06396	3.5
105.07038	41.1
107.04945	11.5
107.08596	50.2
109.06493	15.5
109.10158	40.6
111.08100	6.3
117.07036	11.4
119.08598	34.0
121.06552	6.6
121.10140	30.1
123.04434	2.9
123.08094	9.6
123.11739	10.6
125.09638	17.6
129.06915	3.4
131.04935	48.9
131.08562	15.5
132.85284	1.9
133.06554	2.7
133.10126	29.0
135.08066	8.6
135.11705	13.0
137.09624	23.6
137.13255	3.2
138.95927	2.0
139.11188	22.7
141.07040	2.1
143.08563	5.7
145.10106	19.6
147.04425	2.3
147.08064	4.6
147.11685	20.9
149.09644	18.1
149.13242	7.6
151.11183	10.3
153.08989	2.6
155.10675	11.9
157.10150	6.9
159.08067	3.6
159.11708	15.4
161.09666	6.5
161.13271	6.9
163.11124	10.9
163.14851	3.1
165.09099	7.3
165.12816	3.0
169.10159	2.9
171.11702	7.5
173.13312	12.0
175.11185	4.5
177.12791	4.3
181.12418	1.9
183.11668	4.0
185.13405	3.9
187.11214	4.9
187.14851	5.6
189.11284	4.1
189.12785	4.3
191.14313	2.3
193.12329	2.9
197.13177	3.8
199.14850	4.2
201.12733	4.1
212.66353	2.2
215.14345	4.1
215.17947	2.4
217.15913	3.4
219.13849	5.4
222.06859	2.0
229.19547	7.9
233.15358	2.1
239.17969	5.7
247.20587	7.3
257.19022	16.0
275.20078	100.0
293.08157	4.8
293.21011	38.3
293.28299	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03941	1.9
55.01862	4.9
55.05512	13.4
57.03422	2.4
57.07063	2.2
59.97261	1.2
65.57156	1.3
67.05508	31.6
69.03416	2.7
69.06741	1.6
69.07072	22.6
69.29840	11.3
71.04998	3.0
72.36326	1.2
77.03973	1.2
79.05502	20.9
81.03403	2.4
81.07061	35.9
83.04988	6.6
83.08617	6.0
85.06519	1.8
91.05480	19.4
91.45415	1.3
93.07045	23.7
95.04972	7.4
95.08610	24.2
97.06536	4.2
97.10169	1.4
103.05446	2.2
105.07027	24.6
107.04948	6.9
107.08595	16.6
109.06508	9.9
109.10167	11.5
111.08070	2.8
115.05379	1.4
117.07015	6.1
119.08578	14.7
121.06520	10.0
121.10139	10.5
123.08053	5.4
123.11669	4.1
129.07021	2.4
131.04880	1.5
131.08574	14.3
133.10146	16.1
135.08041	3.9
135.11679	5.3
137.09613	2.5
141.06996	1.8
143.08542	4.2
145.06503	1.7
145.10143	12.9
146.22411	1.3
147.08035	2.7
147.11679	8.3
149.09612	5.6
149.13185	3.3
151.07530	1.7
151.11172	5.0
155.08589	1.7
157.10123	3.5
159.08090	2.0
159.11671	6.5
161.09656	2.7
161.13278	3.6
163.11168	3.9
165.07248	1.6
165.08969	1.7
169.10143	3.1
171.11787	2.3
173.09653	2.4
173.13264	6.1
175.11160	2.1
177.12755	1.8
183.11682	3.5
185.13155	1.7
187.11246	2.2
189.12614	1.8
191.14268	3.7
197.13219	2.7
199.14766	1.4
199.95306	1.4
201.12645	2.8
207.13780	3.3
211.14822	1.5
219.02924	1.7
219.13802	5.8
223.14828	1.7
229.19576	2.6
239.17949	3.9
247.20502	2.9
257.19019	13.6
275.20074	100.0
293.20905	23.8
301.04886	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03955	8.3
55.01871	21.6
55.05512	25.4
57.03421	2.8
57.07062	4.6
59.05016	3.0
67.05509	40.7
69.03430	4.4
69.07073	30.6
71.05023	3.4
71.49149	1.5
71.49557	1.6
75.53572	1.8
79.05498	47.4
81.03429	13.9
81.07059	49.4
83.04981	7.1
83.08620	13.9
85.06535	1.9
91.05482	30.1
93.07042	36.3
95.04958	12.4
95.08611	28.4
97.06534	26.8
97.10166	11.6
99.08068	1.8
103.05462	5.1
105.07041	31.7
107.04956	13.9
107.08598	73.7
109.02887	1.5
109.06521	11.7
109.10159	12.1
111.08077	3.9
117.07034	9.6
119.08574	17.7
121.06500	7.9
121.10137	14.3
123.08076	7.9
123.11697	5.7
125.09623	14.1
129.07085	2.4
131.04964	12.7
131.08574	13.8
133.06548	2.5
133.10124	20.5
135.08051	6.9
135.11687	8.9
137.09604	5.6
139.11201	1.7
143.08582	2.1
145.06453	2.8
145.10133	15.8
147.11705	15.0
149.09634	23.6
149.13237	4.0
151.11198	12.0
154.07756	1.7
157.10187	4.7
159.11673	12.9
161.13319	4.1
163.11192	7.5
165.09125	13.1
169.10104	3.7
171.11685	6.1
173.11917	1.7
173.13289	5.0
174.64861	1.7
175.11244	2.4
177.12749	3.2
179.14294	4.4
181.10074	1.4
181.12160	1.5
183.11728	2.0
185.13315	1.9
187.11177	4.6
187.14792	3.5
189.11223	8.6
195.11729	2.4
197.13232	2.2
199.14842	2.3
211.14827	1.6
215.17973	1.8
229.19490	5.3
232.12527	1.9
233.18735	1.7
235.17215	1.8
238.11516	1.8
239.17928	5.9
247.20581	9.4
257.19043	13.1
265.22546	1.9
275.20093	100.0
293.21021	23.3
293.27975	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03947	5.8
55.01878	24.3
55.05275	2.7
55.05518	31.8
57.03428	2.3
57.07083	40.1
65.03948	2.2
67.05514	45.8
69.03423	3.4
69.07071	25.7
69.33038	14.9
71.01360	2.8
71.05011	4.0
73.43810	1.9
75.78906	2.1
79.05503	53.1
81.03413	10.6
81.07068	34.8
83.04997	13.4
83.08630	15.2
85.02927	2.5
91.05489	36.9
93.07053	38.5
95.04971	12.1
95.08621	23.5
97.06538	27.2
97.10185	16.2
105.07030	35.8
107.04958	16.0
107.08602	80.6
109.02879	3.8
109.06528	8.6
109.10185	14.5
111.04471	18.3
111.08077	6.2
117.07023	8.8
119.08600	26.5
121.06517	5.9
121.10159	20.8
123.04445	2.2
123.08080	5.7
123.11724	4.3
125.06010	7.7
125.09644	16.7
127.07548	2.8
129.07040	4.8
131.08566	15.2
133.10150	19.0
135.04416	5.9
135.08064	8.0
135.11720	9.7
137.06020	3.0
137.09607	4.0
138.13553	2.1
139.07532	5.7
139.11224	2.4
143.08575	6.7
145.06497	2.5
145.10132	20.0
147.08086	2.3
147.11714	13.4
149.09647	26.9
149.13286	2.8
151.11223	8.8
153.05516	11.4
153.09132	4.6
157.10040	3.7
159.08121	3.5
159.11690	11.4
161.09560	3.1
161.13292	4.4
163.03958	10.2
163.11194	11.1
165.09111	8.7
167.10704	3.5
169.10155	2.7
171.10201	2.2
171.11720	3.6
173.13307	6.5
175.07590	3.6
177.09163	2.3
177.12711	4.4
181.05005	22.1
181.12257	4.4
183.11664	3.6
183.24162	2.1
185.13242	2.5
187.11162	6.2
189.11263	12.2
189.12769	2.9
191.10707	22.6
195.10141	10.5
195.13858	2.7
197.13210	3.2
209.11731	53.2
219.10187	9.0
229.19601	6.0
237.11229	99.4
239.17998	3.9
247.20570	7.3
257.19080	16.6
257.42093	2.5
265.18027	4.5
275.20084	100.0
293.18256	2.6
293.21082	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.45015	2.8
53.03942	4.6
53.95080	2.5
55.01868	10.2
55.05270	4.3
55.05516	61.3
57.07083	2.8
59.04964	3.6
59.16643	2.6
59.93826	2.8
64.64093	2.5
67.05508	46.7
69.03445	3.9
69.07077	14.3
69.42209	23.5
71.05010	6.1
79.05500	99.5
81.07061	28.4
82.72500	2.7
83.04984	13.2
83.08633	28.4
85.06529	3.0
89.79072	2.9
91.05486	30.9
93.07053	36.9
95.05002	7.2
95.08614	11.8
97.06541	5.6
97.10182	28.7
105.04449	3.3
105.07035	29.1
107.04965	48.7
107.08603	66.0
109.10153	18.0
111.08106	3.6
117.07023	12.2
117.07771	2.9
119.08594	23.4
121.06494	4.6
121.10141	18.8
123.11700	11.1
125.09649	39.5
131.08565	15.3
133.10139	27.3
135.08034	13.8
135.11751	3.9
137.09636	3.1
145.10149	10.5
147.11716	13.7
149.09628	100.0
153.09085	4.8
155.38782	2.6
156.44164	2.9
157.10147	4.4
159.11652	9.2
161.13283	6.7
163.11183	3.3
169.10223	2.9
169.12244	3.1
171.10161	6.0
173.11781	4.1
173.13219	7.1
187.11086	3.6
187.13347	5.1
189.11264	21.6
199.11031	3.0
229.19537	9.6
244.65843	2.9
247.20680	5.6
257.19025	20.9
275.20108	98.2
293.21198	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	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03930	4.5
55.01872	10.0
55.05514	95.3
57.03431	7.4
57.07069	4.3
58.61585	1.9
59.04983	3.1
67.05181	3.2
67.05510	38.6
69.03440	11.0
69.07072	20.3
69.71597	12.6
71.04998	3.8
71.08636	2.0
79.05080	3.2
79.05501	40.5
81.07063	42.4
83.04984	10.0
83.08166	3.0
83.08622	47.1
85.06522	4.8
91.05487	22.6
93.07043	29.6
95.04969	4.8
95.08610	20.6
97.06514	5.5
97.10175	100.0
98.20851	3.3
105.07031	17.9
107.08596	41.7
109.06530	4.3
109.10171	12.9
111.08083	6.3
113.57171	2.1
117.07024	11.1
119.08583	15.3
121.10152	15.7
123.08052	3.0
123.11700	3.6
125.09634	89.7
129.06998	2.0
131.08569	17.6
133.10135	13.4
135.08069	12.1
135.11685	9.3
137.09592	3.4
139.11148	2.0
141.06937	1.9
143.08536	3.4
143.10670	4.9
145.10117	7.7
147.11661	7.5
149.09651	5.5
149.13278	4.0
151.11212	2.6
153.09122	8.7
155.08543	3.3
157.10086	4.0
159.11658	4.0
161.13229	3.5
163.11194	3.2
163.60332	1.9
169.10109	2.9
171.10114	6.6
171.11540	3.3
173.13245	4.3
181.12257	3.1
183.11826	2.0
185.13295	2.3
189.11235	75.4
191.10568	2.2
197.13203	3.2
199.14764	2.3
201.16347	3.9
223.14839	4.3
237.11151	2.4
237.26750	1.9
257.18991	3.7
275.20056	31.4
275.23215	3.6
293.21085	23.3
293.24799	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	9.6
55.01880	13.9
55.05515	65.8
57.03435	6.7
57.07078	3.9
59.04977	3.0
65.03942	4.5
67.05506	68.4
69.03429	13.8
69.07066	38.1
69.33612	18.7
71.04984	7.1
79.05495	72.6
81.03414	10.4
81.06595	4.1
81.07059	66.1
83.04973	9.6
83.08633	35.9
91.05479	53.5
93.07049	52.8
95.04970	36.7
95.08611	51.6
97.06536	17.0
97.10174	25.2
103.05506	2.5
105.04571	2.5
105.07034	51.8
107.04960	14.2
107.08595	88.8
109.06520	9.9
109.10165	28.3
111.08072	5.9
117.07026	12.2
118.85788	2.5
119.08590	34.6
121.06527	4.7
121.10146	26.3
123.08071	12.5
123.11733	7.6
123.34738	2.8
125.09641	23.4
129.07036	3.5
131.08574	18.4
133.10147	29.8
135.08044	9.1
135.11714	8.8
137.05984	5.9
137.09636	31.3
139.11188	11.5
143.08528	3.8
145.10139	17.7
147.08060	3.9
147.11699	21.0
149.09622	26.9
151.11206	8.9
153.12639	2.9
157.10143	2.8
159.11696	11.4
161.09575	3.2
161.13226	5.7
163.11201	11.5
169.10179	4.6
171.11671	4.2
173.13243	7.2
175.11215	3.4
177.12753	6.1
181.04842	3.0
183.11790	5.5
185.13242	4.0
187.11057	3.3
189.11243	14.7
189.12718	3.5
191.10736	2.8
193.12245	3.2
195.11725	2.8
197.13368	3.1
203.12762	6.0
209.11757	5.8
223.13246	6.7
229.19539	4.2
237.11295	7.8
239.17979	7.8
247.20532	5.3
257.19083	12.5
275.20062	100.0
293.20966	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03938	8.8
53.87944	2.3
55.01876	19.8
55.05511	31.1
56.96582	2.2
57.03438	4.3
57.07085	3.8
58.15596	2.2
59.10379	2.0
67.05505	40.2
69.07075	48.1
70.03699	11.9
71.04996	3.9
73.06520	2.4
79.05495	47.9
80.60757	3.0
81.03427	16.1
81.07065	44.6
83.04987	7.6
83.08614	8.6
85.02912	2.6
85.06536	3.2
91.05489	43.4
93.07043	45.3
95.04969	50.8
95.08616	29.0
97.06532	19.8
97.10172	17.2
103.05454	3.8
105.07040	38.9
107.04971	15.8
107.08600	58.6
109.06519	11.5
109.10152	10.3
110.46462	2.2
117.07028	12.5
119.08585	24.9
121.06528	6.2
121.10146	20.5
123.08070	6.7
123.11745	3.3
125.09600	10.1
131.08606	15.6
133.10126	20.6
135.08049	17.7
135.11679	7.7
137.09517	3.4
139.11174	4.8
143.08585	4.4
145.10103	16.3
147.11728	13.0
149.09630	20.8
149.13240	5.5
151.11171	6.7
157.10159	5.3
159.11662	13.1
161.09685	2.5
161.13292	5.8
163.11209	7.1
165.09119	8.1
169.10115	5.0
173.13258	6.4
175.11104	2.9
177.05528	9.2
177.12706	7.7
178.06258	9.4
180.59373	2.8
181.12198	3.2
185.13364	3.7
187.11250	3.1
189.11214	6.1
191.06999	2.9
197.13287	4.2
207.13750	6.8
219.13831	3.5
219.17520	7.8
229.19469	4.3
233.11754	13.4
237.14780	20.8
239.18002	4.2
247.20589	8.7
257.18954	14.9
275.20078	100.0
293.21017	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
53.03944	0.8
55.01874	2.2
55.05516	3.4
57.07080	9.1
57.07352	0.3
60.35039	0.3
65.03923	0.6
67.05509	5.0
68.98612	0.3
68.99779	0.8
69.03426	0.4
69.07068	2.1
69.44703	0.8
69.45106	2.7
71.01341	0.6
71.04964	0.5
71.08618	1.6
79.05500	4.3
81.03429	1.6
81.07066	5.7
83.04989	2.4
83.08612	1.5
85.02901	0.4
91.05486	2.8
93.07053	3.6
95.04973	7.8
95.08613	2.7
97.06520	1.1
97.10164	1.1
98.21497	0.7
98.98435	0.4
99.08073	1.3
105.07034	2.3
107.04965	4.9
107.08609	2.5
108.05759	1.7
109.02873	1.3
109.06522	2.1
109.10154	1.4
111.04453	5.2
111.08078	0.9
115.77731	0.4
116.49122	0.3
117.07007	0.8
119.08583	2.1
121.06519	6.0
121.10175	2.0
123.08067	0.8
123.11666	0.7
125.06032	2.0
125.09603	0.7
131.08542	1.1
133.10158	0.9
135.04411	1.4
135.08104	1.7
135.11682	0.6
137.02344	0.7
143.08566	0.5
145.10091	1.3
147.11697	0.7
149.09598	1.8
151.07521	0.4
151.11165	1.6
153.05478	3.8
153.09113	0.7
155.03337	0.5
157.10129	0.8
159.11719	0.5
161.70111	0.4
163.03979	1.8
163.11194	1.7
164.11981	0.5
165.12775	4.4
167.10736	0.9
170.04201	0.4
173.09570	0.4
177.09079	0.8
177.12833	1.8
181.04948	5.8
181.12225	1.3
191.10687	4.9
193.08521	0.4
195.10165	2.5
195.11717	0.8
199.11189	0.4
209.11720	11.7
209.13669	0.6
209.40225	0.4
219.10191	1.9
223.11238	0.5
223.13300	1.0
237.11240	22.0
237.14804	0.8
251.18019	0.4
251.24100	0.4
265.17978	0.9
275.20050	2.1
293.21106	100.0
294.21503	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	7.7
55.01870	13.9
55.05276	2.4
55.05512	31.5
56.96562	3.9
57.03433	5.2
57.07076	2.5
60.53659	1.9
65.03942	2.8
67.05506	37.9
69.03416	5.0
69.06746	1.9
69.07076	23.4
69.71349	3.7
69.71759	6.9
71.04985	3.6
71.86861	1.7
71.87263	1.9
74.72016	1.7
75.28157	1.6
76.05845	1.7
79.05492	43.8
81.03412	11.4
81.06599	3.1
81.07056	53.5
83.04967	6.9
83.08616	17.7
85.02879	1.8
85.06531	3.4
91.05482	31.4
93.06513	1.9
93.07052	36.3
95.04959	11.3
95.08614	44.2
97.06533	15.6
97.10161	12.4
98.98455	2.7
99.08077	2.7
103.05454	6.8
105.07035	36.0
107.04943	5.3
107.08593	58.4
109.06516	11.0
109.10166	22.3
111.08047	5.2
117.07019	9.2
119.08585	25.5
121.06496	6.7
121.10144	17.5
123.08030	6.5
123.11739	8.6
125.09637	10.2
129.06950	4.8
130.07838	1.8
131.04927	18.1
131.08549	11.1
133.10138	26.2
135.08078	9.4
135.11732	13.0
137.09576	6.9
137.13272	3.2
139.11177	3.0
143.08539	3.9
145.10143	16.4
147.11693	17.2
149.05972	2.1
149.09657	17.4
149.13260	7.1
151.07538	3.0
151.11197	10.0
155.08473	3.5
157.10074	7.0
159.11653	12.3
161.09570	2.7
161.13210	6.0
163.11130	8.2
165.09126	7.3
169.10083	5.3
171.11667	5.1
173.13264	5.6
174.10243	1.7
175.14799	4.0
177.12697	2.2
181.10162	2.5
183.11691	6.1
185.13237	6.0
187.11081	5.1
187.14842	2.8
189.11162	6.0
194.10938	1.9
195.11732	3.6
197.13205	5.1
199.14902	3.1
201.12631	2.5
203.14317	1.7
209.13205	3.0
213.16270	2.3
215.14322	1.9
219.02762	3.4
219.13940	2.2
219.17375	3.1
223.14847	5.6
225.63124	1.8
229.19516	5.0
233.07927	2.0
235.14769	2.4
237.16414	2.6
239.17902	4.2
247.20593	8.5
251.18021	1.9
257.18991	12.0
273.55652	1.9
275.20078	100.0
276.20349	2.0
293.02817	2.4
293.18011	2.0
293.20981	21.7
293.28116	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	293.1385
Annotation	Morinin C
Peak:m/z	Relative Intensity
55.93370	0.4
64.86568	0.4
69.03439	4.7
71.23474	0.6
73.62439	0.4
79.05503	0.8
85.02916	0.5
91.05471	0.9
93.07009	0.4
95.04993	0.6
103.05479	0.5
105.07003	0.4
108.05723	0.9
111.04460	7.0
115.05453	0.7
117.07031	1.3
121.06513	0.4
129.06998	0.6
131.04939	1.8
131.08595	0.5
135.08057	0.9
135.09569	0.5
136.05208	2.8
137.05959	0.7
138.06729	0.4
141.07002	0.7
143.08611	0.5
145.06494	1.5
151.07559	100.0
152.07814	0.7
159.08046	1.2
163.07559	1.2
173.05974	0.5
173.09558	0.6
175.07602	1.2
177.09090	2.7
187.07564	1.2
189.09161	1.0
191.07062	3.1
195.10182	1.9
197.09628	0.9
199.07481	0.6
201.09198	1.1
203.10751	1.0
205.08597	0.8
215.10713	0.8
217.08794	0.8
219.10236	0.6
229.08707	0.5
229.12268	0.6
233.11790	0.6
247.09738	0.5
257.11694	0.7
275.12793	1.8
293.11246	0.6
293.13953	1.3
295.33270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.01875	0.5
57.03424	0.5
65.03911	0.3
67.05494	0.6
69.03426	4.6
71.49657	0.3
79.05472	1.1
81.03421	0.6
81.07020	0.5
85.02865	0.5
86.48136	0.3
91.05485	5.1
93.07025	0.7
95.04948	0.8
95.08611	0.4
103.05463	2.2
105.03391	0.5
105.07021	1.4
107.04937	0.5
107.08583	0.6
108.05768	1.6
109.10144	0.4
109.81272	0.3
111.04441	7.2
115.05442	0.6
117.07013	1.3
119.08564	0.6
121.06520	0.4
123.08081	0.5
127.03893	0.3
128.06235	0.5
129.06999	0.7
131.04927	5.9
131.08549	0.7
133.10173	0.3
135.08054	1.1
136.05196	3.6
137.05988	1.4
141.07002	0.8
144.05737	0.4
145.06505	1.9
145.10126	0.5
147.08057	0.5
149.08585	0.3
149.09627	0.9
151.07547	100.0
152.07864	0.7
155.08536	0.4
157.06560	0.6
159.08029	1.5
161.06006	0.4
163.07541	1.5
165.09143	0.4
169.06520	0.4
171.08008	0.9
173.05991	0.4
173.09601	0.4
175.07498	1.5
177.05536	0.4
177.09120	2.4
181.06500	0.4
181.08585	0.4
183.08066	0.4
185.09604	0.3
186.06758	0.3
187.07533	1.5
188.08252	0.4
189.09145	1.7
191.07059	2.7
191.10704	0.4
195.10135	1.8
197.09564	0.6
199.07545	0.4
201.09081	1.2
203.10690	1.4
205.08656	1.0
215.10719	0.9
217.08655	0.7
219.07951	0.4
219.10228	0.7
229.08548	0.3
229.12199	0.5
231.10263	0.7
233.11784	0.6
235.09712	0.5
247.13387	0.3
257.11615	0.6
275.09067	0.3
275.12769	1.3
293.08038	0.7
293.10953	0.5
293.14172	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38596	0.6
55.05508	2.2
57.03431	0.7
57.07065	1.6
66.27747	0.6
66.82193	0.7
67.05515	3.0
67.33797	0.7
69.03430	1.1
69.07052	2.2
70.06592	1.4
70.87204	0.6
70.87543	1.2
71.05015	0.6
79.05493	1.3
81.03427	1.6
81.07075	4.8
83.04980	1.4
85.06521	0.5
86.18626	0.7
88.07627	1.5
91.05487	9.4
93.07040	1.5
95.04963	1.1
95.08622	4.0
97.10137	0.8
102.09241	0.7
103.05466	4.4
105.07031	1.6
107.04977	3.2
107.08596	2.1
109.06549	1.2
109.10152	3.1
111.04450	2.3
117.07037	0.7
119.04952	21.9
119.08578	1.6
121.10132	1.2
123.11725	1.5
131.04936	14.5
131.08601	1.2
145.10092	1.2
147.04425	100.0
148.04761	0.8
183.11658	1.1
201.05470	3.0
217.04956	0.7
223.14882	1.1
228.23317	0.8
229.23550	1.2
230.23920	2.7
252.11565	0.9
274.37787	0.8
275.09183	4.8
275.20108	1.9
292.27512	4.8
293.22977	3.0
293.27908	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20052	5.1
59.33846	4.6
69.79919	20.3
98.21424	5.7
125.22576	5.7
127.59074	4.7
143.01875	9.7
147.09822	4.7
150.91988	5.7
187.56635	5.9
293.06302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.39717	1.0
51.02379	1.5
51.18773	1.0
53.03938	4.8
55.01876	1.9
55.05517	20.2
55.46085	1.2
55.96833	1.0
56.90873	1.1
57.03433	1.7
57.07072	2.2
65.03935	2.3
67.05510	37.5
69.03432	1.8
69.07072	16.3
71.04994	1.3
79.05499	73.8
81.07063	51.3
83.04969	1.7
83.08624	10.7
85.06534	4.1
86.07169	1.2
91.05489	30.7
93.07050	100.0
95.04970	6.2
95.08618	35.6
95.49763	1.3
97.06515	2.5
97.10172	6.0
105.04509	3.0
105.07033	19.6
107.04971	1.5
107.08603	61.3
109.06519	3.0
109.10160	14.6
111.08099	3.6
117.07008	4.6
119.08582	18.9
121.10154	42.0
123.04510	1.3
123.08051	3.3
123.11688	3.8
125.09560	1.8
129.06984	3.3
131.08591	8.1
133.06505	1.4
133.10143	13.5
135.08061	2.2
135.11703	54.1
135.12738	2.6
137.09653	1.8
139.03934	2.2
141.09044	1.3
143.08577	3.1
145.10097	5.4
147.08075	1.3
147.11694	11.8
149.09633	4.1
149.13274	33.1
157.10103	2.3
159.11742	6.6
161.09630	1.7
161.13269	10.0
163.11198	4.7
163.14827	10.6
165.12822	1.6
171.11649	3.4
173.13300	2.3
175.11211	1.5
175.14772	6.0
177.12714	1.7
185.13232	4.5
189.12708	2.3
195.13707	1.9
199.14804	3.0
201.27315	1.2
203.14375	2.0
209.15347	3.0
209.70856	1.3
217.15714	1.2
221.13335	1.2
221.15457	2.0
231.17438	1.9
231.21046	1.3
235.17024	2.6
241.19543	3.8
249.18553	2.9
254.52855	1.3
259.20560	9.6
273.18634	1.8
291.19571	46.6
291.23178	54.2
291.26477	2.1
292.20050	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03945	0.8
54.66700	0.5
55.01882	2.4
55.05242	0.5
55.05514	8.3
55.93504	0.4
56.96556	1.6
57.03442	0.5
58.39520	0.5
59.04997	0.6
65.03951	0.6
67.05511	4.6
69.03421	1.3
69.07072	2.6
70.91996	1.0
71.04973	1.0
79.05079	0.7
79.05499	8.9
81.03428	0.8
81.07063	6.7
83.04977	1.2
83.08633	3.7
91.05489	6.8
93.07063	6.2
95.04973	3.6
95.08640	2.7
95.09224	0.4
97.06521	1.1
97.10189	3.6
98.98486	0.5
105.03333	0.4
105.07040	6.1
107.04968	2.7
107.08618	3.1
109.06524	0.8
109.10173	1.5
113.96371	0.5
115.05506	0.9
116.06253	0.7
117.07043	3.5
117.62064	0.5
119.04968	2.1
119.08594	6.9
121.06522	3.2
121.10155	1.8
123.04462	1.0
123.08072	1.2
125.09628	2.1
129.06996	2.0
130.07791	0.7
131.08606	3.7
133.06508	2.9
133.10155	1.7
134.07278	1.1
135.08067	1.1
135.11681	1.0
139.03917	1.2
143.08597	2.3
145.06450	0.7
145.10103	2.6
147.08046	3.8
149.09631	1.4
157.10168	1.0
158.98842	0.4
159.08025	0.5
159.11736	1.0
161.09630	1.0
162.10399	1.5
163.11180	0.6
171.11685	0.6
175.11230	1.1
184.45409	0.4
190.47574	0.5
221.13326	0.6
223.13301	1.3
245.18942	0.4
249.14828	2.4
255.17461	0.7
259.16449	0.8
261.15036	0.6
273.18469	4.4
291.19559	100.0
292.19833	0.8
298.93118	0.4
306.59439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03935	1.8
53.07020	0.9
55.01878	1.7
55.05518	7.5
57.07059	3.5
59.04980	3.2
59.08932	0.8
67.05504	6.2
69.03422	1.6
69.07074	1.6
70.45037	1.7
70.45372	1.7
71.04984	4.1
79.05495	8.7
81.03406	1.7
81.07058	10.7
81.81853	0.8
83.04994	2.3
83.08627	7.4
85.02893	1.4
85.06506	2.4
88.15701	0.9
91.05487	6.6
93.06606	1.0
93.07058	11.3
95.04971	6.0
95.08614	16.7
97.06535	5.4
101.95547	0.9
103.64601	0.9
105.07045	11.3
107.04957	10.8
107.08611	10.6
108.05753	1.1
109.06536	7.3
109.10143	3.6
111.04470	1.3
111.08091	48.3
111.98845	0.9
113.09641	1.5
117.07029	1.7
119.04967	1.2
119.08586	11.9
121.06524	2.9
121.10143	6.4
122.07297	2.1
123.04444	2.7
123.08074	35.1
123.11710	1.1
125.09620	2.6
129.07010	1.0
130.07787	1.1
131.08588	6.6
133.06474	4.2
133.10126	9.3
135.08057	5.8
135.11673	3.6
137.09608	1.5
139.03928	4.9
139.07529	1.2
139.11128	1.0
142.07750	1.1
143.08586	1.8
145.10106	5.7
147.04408	2.0
147.08055	2.3
147.11737	4.5
149.09650	7.8
149.13239	1.8
151.07555	100.0
153.09113	1.1
155.10617	2.0
157.10133	5.4
158.10973	1.2
159.08055	2.5
159.11685	2.6
161.09569	3.0
161.13150	1.0
163.11160	3.1
171.11679	2.8
173.09665	1.8
173.13248	5.7
174.10394	2.5
175.11179	4.3
177.09094	2.0
179.10657	6.0
181.12222	2.0
182.10910	1.1
185.13303	1.6
189.12758	28.8
191.10623	1.2
191.14323	9.5
192.11406	4.9
197.11761	15.1
197.13416	1.4
207.13826	67.6
213.16420	1.7
215.14305	3.9
217.12216	3.5
221.13110	1.0
227.18047	1.4
231.17416	2.3
233.15392	28.9
235.13214	2.5
245.19258	1.2
249.18454	2.3
255.17455	1.9
258.47375	1.1
273.18530	6.9
291.19531	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03937	1.6
55.05511	5.3
57.07062	2.2
57.47211	1.1
59.04985	3.1
65.79912	0.9
67.05540	6.1
67.05824	1.7
69.03416	2.7
69.07053	4.4
70.06580	1.2
70.72182	2.6
71.05000	2.1
79.05489	5.6
81.07059	8.4
83.04962	1.6
83.08595	3.9
85.06532	2.3
88.07633	1.9
91.05468	5.8
93.07043	11.3
95.04961	3.2
95.08611	14.3
97.06530	3.2
105.07030	8.8
107.04952	4.7
107.08582	8.0
109.06512	6.2
109.10145	4.9
111.04414	1.5
111.08081	29.4
117.07001	1.6
119.08566	9.5
121.06498	2.8
121.10139	6.5
123.04475	2.0
123.08072	37.2
123.11652	1.6
129.07008	1.5
130.07797	1.2
131.08537	5.8
133.06482	4.1
133.10152	7.8
135.08080	4.7
135.11667	3.6
137.09583	3.0
139.03909	2.1
142.07695	1.3
143.08586	2.5
145.10126	11.6
147.04388	1.2
147.07996	1.8
147.11703	4.9
149.09657	5.5
151.07550	100.0
156.09319	2.1
157.10120	4.9
159.08069	1.2
159.11681	2.9
161.09596	3.4
161.13307	2.2
163.11171	2.2
171.11696	4.0
173.13260	4.5
174.10368	1.7
175.11163	4.0
177.09096	2.7
177.12743	2.6
179.10637	6.0
187.11171	2.9
187.14801	1.4
189.12750	29.9
190.13150	1.4
191.10670	1.2
191.14313	6.8
192.11479	3.4
197.11725	15.2
197.13258	1.9
199.11137	1.1
203.14310	1.1
207.13809	69.3
213.16336	2.9
215.14287	3.9
215.93231	1.0
217.12234	3.4
229.23624	4.2
231.17340	2.3
233.15370	13.1
235.13216	1.4
255.17361	2.7
273.18439	6.4
273.25681	1.1
291.19531	42.8
291.27060	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	291.1228
Annotation	Antibiotic LL-Z 1271gamma
Peak:m/z	Relative Intensity
52.80310	2.9
53.03938	5.1
55.01861	12.6
57.03425	4.5
67.05502	3.1
68.79635	2.5
68.99801	3.3
69.03415	11.3
69.31362	7.5
69.31786	18.2
71.01299	2.3
71.04984	3.5
79.05481	5.4
79.35338	2.6
81.03426	43.8
81.07022	3.2
84.04500	4.7
84.31119	3.4
85.02911	40.3
91.05471	15.0
93.07037	3.8
95.01362	3.5
95.04960	7.8
97.02897	15.1
98.97581	6.5
99.04454	3.4
103.05466	11.7
105.07022	8.8
107.04957	9.9
109.02874	11.4
109.06483	3.2
111.04453	40.6
115.05447	14.1
116.06173	2.9
117.07021	20.6
119.04941	12.6
119.08635	6.1
121.06492	8.5
121.08920	2.9
121.10085	2.5
123.04440	39.0
128.06221	14.8
129.07021	24.5
130.06505	9.5
131.04951	19.4
131.08562	9.3
132.08138	3.6
133.06488	8.2
135.08072	3.8
137.05986	17.7
139.03922	53.5
139.05482	4.6
141.07028	18.6
142.07780	4.0
143.04938	9.8
143.08569	8.4
144.05713	6.2
145.02846	40.1
145.06491	23.4
145.10191	3.2
146.03644	3.5
146.05994	2.9
147.04404	36.5
147.08000	6.6
149.05948	13.9
149.09586	3.5
151.03963	3.3
151.07556	86.7
152.06200	6.0
153.06958	7.8
155.06110	3.1
155.08559	3.8
157.06493	22.3
157.10097	3.7
158.07289	9.9
159.08058	6.9
159.09193	11.1
160.05251	16.6
161.06012	21.2
161.09618	7.1
162.05486	5.1
162.06715	3.9
163.07521	18.6
164.08319	3.2
165.05453	14.3
165.06995	8.1
165.09122	3.9
167.04953	3.7
167.07268	3.4
167.08543	14.3
169.05177	3.8
169.06454	18.1
170.06000	4.4
170.07275	4.1
171.08028	18.5
173.06001	8.1
174.06740	14.2
175.07562	100.0
176.08211	3.9
177.05522	18.7
177.06816	4.4
177.09113	27.5
179.07071	5.9
179.10669	3.8
181.06522	5.5
183.08107	6.8
184.05264	3.8
184.07469	3.5
184.08937	5.6
185.05847	17.1
185.07368	5.1
185.09663	8.7
186.06819	5.4
187.07523	20.8
188.06935	4.7
188.08463	4.8
189.05453	6.3
189.09138	22.9
191.07045	10.7
191.10745	6.5
193.08626	19.9
195.08047	21.0
195.10133	8.3
197.05983	8.9
198.06792	8.8
199.07597	13.8
200.08415	3.5
201.05458	9.0
201.09058	24.4
203.06958	14.8
203.08774	3.5
203.10693	10.6
205.08554	9.6
211.07458	4.6
212.08263	4.8
213.05473	5.4
213.09056	13.7
214.06258	3.8
215.07036	8.5
217.04900	3.2
217.08574	18.0
217.12198	5.4
219.10097	5.8
223.07591	13.6
227.07101	13.1
227.10625	9.9
229.08635	25.9
231.10144	17.9
241.08665	16.6
243.10020	5.5
245.07866	24.7
245.11859	10.5
247.09642	11.1
255.10205	11.9
259.09631	4.6
273.08621	4.9
273.11237	32.1
291.09216	11.3
291.12375	86.8
291.19519	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	291.0865
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03950	0.5
55.01864	1.5
67.05497	1.6
67.16425	0.5
68.99786	2.2
69.03432	1.1
69.07087	0.7
70.77921	1.4
77.88203	0.5
81.03436	3.9
83.04981	1.6
84.04498	1.0
85.02921	1.0
91.05487	2.6
93.03426	1.3
94.26028	0.5
95.04973	2.6
97.02891	0.6
105.07062	0.7
106.08710	0.6
107.04967	0.7
109.02868	0.8
111.04440	3.5
115.05466	1.3
119.04951	7.6
123.04443	65.6
124.04757	0.6
127.03928	1.9
133.06511	1.2
137.02295	1.3
139.03915	100.0
143.04961	2.7
147.03247	1.3
147.04420	23.2
151.03893	3.0
151.07660	0.6
161.06004	8.1
163.03918	2.1
165.05498	14.3
169.04994	2.0
177.05476	1.0
179.07092	2.2
181.04994	0.8
185.05975	0.8
189.05466	1.8
207.06491	6.0
249.07608	1.1
273.07617	1.8
291.08566	4.6
303.76007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1229
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
53.03939	10.2
55.01880	18.3
55.05513	4.6
57.03445	6.3
62.47849	3.2
63.88710	3.6
65.03969	4.6
69.03426	17.8
69.17545	37.9
71.04991	4.0
71.12878	3.3
73.72830	2.9
79.90874	3.5
81.03421	91.5
81.06987	4.0
85.02918	38.6
91.05479	19.0
93.07049	4.0
95.01319	3.8
95.04955	8.2
97.02908	17.5
99.04458	5.2
103.05464	14.6
105.07026	14.1
107.04953	7.2
107.08591	4.0
109.02876	21.2
109.06497	5.0
111.04447	40.2
115.05445	16.7
117.07002	19.3
119.04960	23.4
119.08607	10.1
121.06485	5.3
123.04442	35.5
127.03925	4.7
128.06242	16.2
129.07010	24.5
131.04933	26.9
131.08560	6.2
132.05693	6.8
133.06480	11.8
135.04410	4.9
135.08046	5.2
136.05128	5.6
137.05963	26.4
139.03914	49.3
141.07013	20.8
143.04968	7.3
143.08592	10.9
144.05705	6.8
145.06508	27.1
146.07265	5.9
147.04427	75.3
147.08017	8.3
149.06012	18.5
151.07556	100.0
152.06181	9.7
153.07164	4.6
155.08566	5.9
157.06470	30.7
157.10130	6.1
158.07222	7.1
159.08038	10.7
160.05191	20.8
161.05992	35.2
161.09592	5.1
163.07516	20.7
164.08278	6.8
165.05489	19.5
165.06981	10.3
165.09113	5.2
166.07779	3.8
167.08534	21.6
169.06445	18.5
170.07253	9.2
171.08055	24.1
173.05978	11.1
174.06781	14.2
175.07564	93.9
177.05537	22.3
177.09073	29.8
181.06502	6.4
183.08089	7.7
184.05220	4.4
185.05983	22.0
185.09657	16.4
186.06743	10.5
187.07559	22.7
189.09030	24.8
191.07007	10.3
191.10712	7.9
193.08621	35.9
195.08052	36.0
195.09979	6.3
197.05966	21.9
198.06772	12.8
199.07582	19.7
201.05447	14.6
201.09102	34.3
203.07016	13.0
203.08751	5.9
203.10675	11.1
205.06572	4.1
205.08672	9.3
211.07574	6.3
212.08276	4.8
213.05515	8.8
213.09068	14.5
214.06346	4.3
215.06989	7.5
217.05034	4.4
217.08609	23.2
219.08127	4.2
219.10144	9.9
220.08879	5.0
223.07550	12.2
227.07028	8.8
227.10637	11.8
229.08601	37.0
231.08109	9.5
231.10237	17.2
241.08548	11.9
243.10031	5.0
245.08075	24.7
245.11772	8.6
247.09740	9.9
248.08327	8.6
255.10204	16.2
259.07401	4.1
263.10641	6.1
273.11243	45.2
276.07852	6.5
291.09146	22.2
291.12354	81.1
291.16214	4.6
291.16721	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	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01870	1.6
56.52202	0.5
65.03954	1.2
67.05500	0.9
68.99784	1.4
69.43108	3.1
69.43436	0.5
72.63190	0.5
83.04973	0.9
91.05485	1.7
93.03390	1.1
95.04976	2.5
107.04980	0.7
111.04463	3.1
115.05440	1.2
119.04945	6.2
123.04436	63.6
126.98197	0.5
127.03886	1.2
133.06517	0.9
135.04427	0.5
137.02324	0.8
137.05977	0.8
139.03911	100.0
143.04935	2.2
147.04416	22.3
149.05972	0.5
151.03903	2.6
153.05484	0.6
161.05986	6.7
163.03925	1.8
165.05489	15.4
169.05009	1.4
177.05522	1.1
179.07037	2.9
181.04872	0.9
189.05476	2.0
207.06534	5.2
249.07643	1.6
273.07614	1.8
291.08612	5.1
310.84460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	95.3
69.03429	5.5
69.80251	5.7
69.80663	6.9
71.95276	4.1
73.02904	4.2
78.74092	2.0
81.03413	3.4
84.96033	13.0
85.02900	14.9
97.02902	8.3
98.97591	100.0
101.00893	8.0
103.00642	5.0
108.63046	2.4
110.97564	8.9
112.99138	5.4
113.00941	2.5
115.00694	2.7
115.02505	2.7
116.98637	31.7
119.01884	5.1
119.04947	3.2
121.01687	5.1
123.04452	6.7
124.99135	54.9
126.97076	3.2
127.00697	4.2
127.03922	3.4
128.98602	5.8
129.05486	7.2
131.00168	5.9
131.01900	3.7
134.99632	3.0
137.05943	11.2
139.00644	3.3
139.03896	9.7
140.98557	3.1
141.02234	5.7
143.00166	59.3
143.01883	5.3
144.98096	4.6
145.03433	3.4
146.03796	2.3
146.99672	2.2
147.04391	6.9
152.98575	11.8
153.01750	5.7
157.01726	3.4
158.99646	15.8
159.03317	5.7
161.01222	17.9
161.02812	3.2
162.99141	2.4
163.02744	2.7
163.03944	2.5
167.00212	6.9
168.98100	2.4
169.01723	7.6
170.99667	37.5
173.01288	3.6
173.02945	5.4
174.99071	2.5
176.98657	2.3
177.00705	7.9
185.01254	23.6
185.02795	3.6
186.99153	4.5
187.02751	4.9
189.00700	20.3
189.02293	4.7
194.99614	6.3
200.06081	2.6
201.00725	3.8
203.02264	11.3
203.03954	4.3
205.00211	6.3
213.00726	17.7
213.02440	3.7
219.01762	4.8
221.05045	4.5
223.01170	4.9
231.01794	30.9
237.02783	5.0
245.03209	2.8
248.99185	8.6
249.02841	31.3
263.00885	2.9
267.00244	3.5
267.03796	17.0
273.02921	8.6
285.04953	5.1
291.03860	36.8
291.08490	24.9
309.04984	34.2
309.08456	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	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39498	15.0
52.27155	11.0
56.96555	47.0
60.12869	12.9
62.84185	12.0
63.03733	11.6
70.78603	30.5
73.18031	11.5
75.93727	11.6
84.96037	12.5
88.37914	14.3
98.97573	51.4
101.00827	19.7
103.00663	27.7
106.29081	15.7
110.97531	13.6
124.99100	40.3
127.09736	11.9
133.01721	12.9
143.00215	17.8
143.01802	13.5
158.75201	13.5
161.01303	11.8
161.02954	22.6
170.99577	27.7
173.01169	13.6
182.29472	11.4
185.01329	13.0
199.92772	13.3
200.54494	15.0
231.01704	14.0
249.02722	32.1
267.03775	18.6
291.04092	20.3
291.08136	58.3
291.10513	100.0
309.04990	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03935	4.7
55.05516	28.5
59.05003	65.9
67.05483	15.3
69.07059	11.2
69.28077	13.3
69.28499	32.1
79.05493	10.7
81.07060	12.0
85.06548	100.0
91.05480	18.5
91.14536	4.9
93.07082	23.8
95.08588	33.9
99.08070	20.2
105.07040	16.8
107.08582	15.6
109.10161	8.2
117.07036	7.3
119.08575	23.1
121.10170	9.9
125.09634	23.4
129.06975	5.3
131.08597	24.4
133.10123	15.5
135.08069	5.5
136.22018	4.8
142.07745	9.4
143.08537	10.5
145.10130	21.1
147.11731	6.1
155.08618	8.7
157.10088	26.2
158.10930	11.1
159.11699	23.6
163.11139	5.0
169.10123	9.1
171.11679	11.0
173.13240	38.7
181.10107	5.5
182.10826	4.8
182.54855	4.7
183.11699	37.8
184.12550	5.1
185.13287	4.8
189.12779	6.9
191.14221	5.4
197.13268	13.0
199.14778	12.6
201.12761	12.9
209.13257	10.5
211.14931	6.1
213.16432	6.7
215.14427	5.9
231.17639	6.8
233.15302	5.1
239.17909	21.3
252.63562	4.7
257.19006	13.2
259.16858	7.2
271.20599	9.8
289.06036	5.4
289.18402	10.8
289.21622	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43700	1.0
56.96570	100.0
61.21975	1.2
70.17906	3.2
71.95258	3.0
79.89045	1.1
80.05127	1.0
84.96042	8.1
88.93230	1.1
98.97591	83.7
101.00853	2.8
102.01561	1.1
105.00089	1.3
106.98090	3.0
108.99651	1.6
110.97546	2.3
112.99133	6.7
115.02439	1.5
116.97849	1.8
116.98630	23.1
119.01917	2.8
123.01181	1.4
124.99129	66.1
127.00655	4.5
131.00148	3.0
133.03482	3.3
134.99626	4.6
139.00655	3.3
140.98590	2.3
141.02249	7.6
143.00171	67.5
148.99113	1.8
151.00650	5.7
152.98599	23.7
157.01704	1.6
158.99635	1.2
159.03276	4.0
161.00005	1.5
161.01245	17.5
167.00157	7.9
168.98155	1.0
169.01743	9.2
170.99667	52.9
176.98608	1.6
182.02652	1.2
185.01242	37.5
186.99174	5.9
187.02710	4.8
189.00731	26.9
194.99666	9.3
200.04425	1.8
200.54514	3.2
201.00723	1.9
203.02299	16.9
203.04099	1.9
205.00087	5.1
207.01791	1.9
213.00702	27.2
219.03549	2.5
221.03224	1.7
221.60841	1.2
226.03406	1.2
229.00195	1.5
231.01770	35.4
245.03305	4.6
247.01195	3.7
249.02838	39.1
255.01695	2.1
263.04358	2.8
267.03912	21.3
273.02820	12.6
282.29544	1.1
285.04980	9.4
291.03836	57.1
309.04932	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.98466	0.4
53.03925	0.4
55.01844	0.4
56.96574	0.3
57.03418	0.6
58.15164	0.5
61.02921	0.8
65.03932	0.5
67.05508	0.5
68.99792	0.5
69.03430	2.0
70.62209	1.0
71.04989	0.4
81.03423	0.8
84.08176	0.4
85.02908	4.7
93.03387	0.7
93.07053	0.4
97.02885	1.1
98.97604	0.6
109.02884	1.0
111.04461	1.4
121.10179	0.4
123.04450	4.1
127.03922	100.0
128.04242	0.6
135.04420	6.4
139.03920	3.5
145.04942	0.6
149.02383	0.7
151.03943	1.6
158.99637	0.4
163.03920	1.5
179.03459	0.4
182.32224	0.4
259.06088	0.5
271.05978	0.7
289.06052	4.6
289.12192	0.6
294.51520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
54.38722	2.6
55.01859	3.9
55.05511	5.2
60.04526	2.5
61.02916	2.4
65.03939	6.3
67.05506	10.8
68.99786	3.1
69.03430	6.1
69.07063	5.8
69.23914	22.5
70.55049	2.4
71.04981	5.9
75.46815	2.5
79.05486	10.0
81.03419	3.9
81.07057	26.4
83.04994	14.3
84.04520	2.9
85.02871	4.1
85.06527	6.4
86.70674	2.4
91.05473	10.9
93.03413	9.1
93.07062	29.9
95.04974	12.3
95.08613	23.0
97.06551	14.9
99.04456	10.4
105.07053	23.4
107.04944	14.2
107.08607	14.8
109.02870	3.2
109.06506	19.5
109.10168	4.6
111.04430	16.8
111.08075	10.9
111.10933	2.5
113.06012	3.4
113.64051	2.7
117.03370	3.5
119.08583	14.5
121.02875	2.6
121.06514	41.6
121.10133	4.0
123.04435	46.9
123.08101	3.8
123.11711	5.7
125.05990	10.0
127.03908	10.4
127.07591	4.0
128.06168	3.8
129.07021	3.2
131.04951	3.1
131.08553	5.0
133.06526	3.7
133.10153	13.1
135.04427	100.0
135.08038	6.0
137.02403	4.5
137.05992	7.1
139.03908	41.2
139.07538	9.3
141.07004	4.0
143.07079	5.5
143.08534	3.4
145.10103	4.6
147.08043	3.9
147.11679	25.8
149.02335	22.4
151.03915	20.0
153.01813	12.3
157.06599	3.6
157.08632	8.3
157.10129	7.0
159.06549	6.8
161.13303	5.1
163.03894	22.3
165.12805	11.2
169.12256	9.1
171.11665	7.6
173.09631	2.9
175.11179	18.7
189.12721	12.0
193.12241	18.9
197.05963	4.1
199.11194	12.6
207.13841	10.1
211.13260	15.8
213.05577	4.7
215.06996	8.8
217.12267	56.0
229.14359	7.7
231.06532	7.4
235.13316	50.4
242.79649	3.1
243.06554	10.2
253.14360	23.0
259.06039	9.9
261.07562	6.3
267.03784	2.8
271.06049	5.5
289.06729	19.9
289.10474	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	289.1798
Annotation	Estriol
Peak:m/z	Relative Intensity
51.19100	1.7
53.03929	2.7
55.01868	4.8
55.05516	17.2
56.96560	2.4
57.03440	39.0
59.05012	3.9
65.03918	1.9
67.05513	13.4
69.03397	1.8
69.07075	8.8
69.56597	6.5
69.57008	5.3
71.04958	2.0
77.05710	1.6
79.05492	25.3
79.98905	1.8
81.03410	6.9
81.06580	2.5
81.07047	16.8
83.04968	5.2
83.08603	8.2
86.36414	1.7
91.05489	21.3
93.07044	14.8
95.04961	6.6
95.08620	11.2
97.06556	3.2
97.10152	7.6
105.03383	2.9
105.07024	15.4
107.04964	20.1
107.08589	13.9
107.41768	1.6
109.06519	5.5
109.10152	5.8
111.08048	3.4
115.05452	5.7
117.07029	15.0
119.08586	47.7
121.06530	18.1
121.10134	7.7
123.04409	4.3
123.08075	5.2
125.09610	5.3
129.06990	5.4
131.04898	4.3
131.08597	9.0
132.94687	1.7
133.06462	5.4
133.10104	5.7
135.04395	6.5
135.08046	19.8
135.11693	3.3
139.03906	2.9
141.07008	2.5
143.08522	4.9
145.06474	14.0
145.10091	9.0
147.08046	10.9
147.11707	4.2
149.09615	5.6
152.46312	1.7
155.08572	3.4
157.10165	2.1
159.08064	56.6
159.11678	4.3
160.03922	2.4
160.08763	3.3
161.09578	5.0
163.07607	8.3
163.11234	3.2
169.10139	2.2
171.11717	6.1
173.09624	5.7
173.13196	4.5
177.09128	7.3
185.09499	2.0
187.11194	1.8
187.14807	4.0
189.12660	3.0
197.13295	3.0
201.12901	2.0
215.14363	7.1
219.11708	1.9
225.16344	3.6
233.15363	13.1
242.24883	2.0
243.17464	5.1
243.21130	2.5
248.14355	4.0
253.15842	7.7
259.06235	1.9
261.18494	5.0
266.15262	3.8
271.16940	32.1
275.15878	3.1
289.06125	19.9
289.17990	100.0
289.21359	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	289.0707
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
50.76982	0.5
51.02383	0.7
51.87120	0.6
53.03936	0.7
54.13778	0.5
55.01871	1.8
65.03939	2.4
67.05514	3.1
68.99800	3.1
69.47815	4.6
77.03947	1.2
79.05495	1.7
83.01326	1.3
89.03926	2.8
91.05482	0.9
93.03408	4.9
93.07013	0.8
95.04982	4.7
98.20792	1.4
103.05461	1.6
105.03383	1.7
105.04514	0.7
107.04972	3.7
111.00806	1.7
111.04443	7.1
117.03381	4.0
121.02885	2.0
123.04431	100.0
127.03926	6.1
130.06499	0.9
131.04942	3.0
135.04410	31.4
137.02399	1.3
137.05945	0.6
139.03909	31.2
141.07010	1.3
142.31662	0.7
145.02824	4.0
149.02342	2.3
149.05998	2.4
151.03903	9.8
153.01855	1.2
158.06087	1.5
159.04395	4.8
163.03911	27.9
169.06493	1.4
171.04477	0.6
173.06041	1.0
175.08804	0.8
177.05484	2.5
179.03424	0.6
182.03799	0.6
183.04370	0.8
185.05962	1.6
187.03877	4.6
190.39993	0.7
197.06012	2.8
199.03749	0.8
203.07104	0.9
205.05008	4.5
211.03993	0.7
213.05522	0.8
215.07019	1.2
225.05467	1.3
229.04959	1.1
231.06529	1.0
231.51424	0.7
243.06412	2.8
243.17786	0.6
245.04459	8.2
259.06067	2.3
261.07568	2.1
271.06046	2.4
289.06870	16.3
289.11758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27051	0.7
53.03924	0.5
61.47393	0.6
65.03947	0.9
67.01851	2.7
67.05490	0.6
68.99783	4.1
69.03439	2.9
69.21043	3.4
69.21469	2.3
79.05492	1.8
81.07063	0.7
81.58225	0.6
89.03912	6.7
91.05480	1.1
93.03374	1.6
95.04996	1.3
95.08570	0.6
97.02898	1.1
107.04953	2.2
107.08614	0.8
111.00806	2.4
111.04432	2.7
117.03382	8.4
119.08571	0.7
120.08085	1.1
121.02875	1.7
122.03236	1.2
123.03353	0.9
123.04433	5.8
127.03944	0.9
127.74793	0.6
135.03412	1.2
135.04417	16.0
137.02359	1.2
137.06145	0.7
139.03909	2.2
143.08650	0.6
145.02855	11.1
146.91270	0.6
151.03888	1.7
153.01836	100.0
154.02174	1.9
155.02324	2.5
159.04478	1.3
161.06012	0.9
163.03911	61.4
164.07066	5.5
165.01813	0.7
167.02431	0.9
171.02887	2.1
177.05411	0.6
179.03423	6.4
187.03937	2.1
205.05028	1.0
215.05989	0.9
243.05449	0.6
247.05936	0.6
260.05859	0.9
271.05948	2.8
271.14478	1.0
289.06631	88.9
289.15234	3.9
289.25140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
51.27051	0.7
53.03924	0.5
61.47393	0.6
65.03947	0.9
67.01851	2.7
67.05490	0.6
68.99783	4.1
69.03439	2.9
69.21043	3.4
69.21469	2.3
79.05492	1.8
81.07063	0.7
81.58225	0.6
89.03912	6.7
91.05480	1.1
93.03374	1.6
95.04996	1.3
95.08570	0.6
97.02898	1.1
107.04953	2.2
107.08614	0.8
111.00806	2.4
111.04432	2.7
117.03382	8.4
119.08571	0.7
120.08085	1.1
121.02875	1.7
122.03236	1.2
123.03353	0.9
123.04433	5.8
127.03944	0.9
127.74793	0.6
135.03412	1.2
135.04417	16.0
137.02359	1.2
137.06145	0.7
139.03909	2.2
143.08650	0.6
145.02855	11.1
146.91270	0.6
151.03888	1.7
153.01836	100.0
154.02174	1.9
155.02324	2.5
159.04478	1.3
161.06012	0.9
163.03911	61.4
164.07066	5.5
165.01813	0.7
167.02431	0.9
171.02887	2.1
177.05411	0.6
179.03423	6.4
187.03937	2.1
205.05028	1.0
215.05989	0.9
243.05449	0.6
247.05936	0.6
260.05859	0.9
271.05948	2.8
271.14478	1.0
289.06631	88.9
289.15234	3.9
289.25140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	1.2
56.96568	18.0
57.03427	3.4
57.90600	0.8
58.03831	0.9
61.02942	1.4
64.52075	0.9
69.03424	3.9
69.69764	5.3
70.98118	2.0
70.99853	4.0
71.95268	1.4
73.02906	1.3
81.03428	1.1
81.04578	1.1
82.99847	13.6
84.96040	1.8
85.01400	1.0
85.02911	4.7
86.03255	0.9
86.09727	1.5
89.00877	1.4
93.01892	0.9
97.01391	8.1
97.02895	3.3
98.97585	14.6
101.00889	100.0
105.00370	1.5
110.97563	2.2
112.99157	2.5
113.00867	12.9
115.02435	25.6
116.98643	1.9
117.04024	2.2
119.01926	97.0
120.46139	1.0
124.95467	1.0
124.99149	1.1
126.98757	2.5
127.02421	3.0
127.03941	2.4
127.08612	1.0
128.98611	1.4
129.00302	1.0
129.04004	8.9
131.01904	21.1
133.03474	35.1
135.05124	1.2
137.02951	7.8
142.96533	1.3
143.00259	4.8
143.01901	40.7
144.99806	3.2
145.03505	7.9
146.99614	1.4
147.01360	2.7
147.05031	6.2
149.02922	2.5
151.04523	2.7
152.95055	1.3
155.01859	4.5
156.99777	1.4
157.03452	6.3
159.01427	2.1
161.01309	6.4
161.02960	65.4
161.06664	1.4
162.03082	1.5
163.04570	1.3
168.99844	12.8
169.03458	2.7
170.96028	3.8
171.01396	14.8
172.94368	1.5
173.02940	14.8
174.99263	1.0
175.00931	3.3
175.04532	2.4
177.02431	1.9
178.04716	1.0
178.55136	2.0
179.02319	3.2
179.03989	1.4
180.99809	1.5
185.02904	5.1
187.00885	30.8
187.04523	3.6
188.97067	3.6
189.00758	2.0
189.02420	13.3
191.04030	10.2
193.02016	1.1
196.99329	6.7
198.54843	2.3
199.00883	23.6
199.04645	1.4
201.00800	1.3
201.02457	5.1
203.00465	1.2
203.04056	3.1
205.00160	1.3
205.01964	9.6
207.03596	2.5
207.55544	1.3
215.00369	33.9
215.03844	1.2
216.99910	2.1
217.01950	37.4
219.01897	1.9
219.03621	8.9
221.01738	1.8
221.05016	1.7
228.99954	1.7
229.01993	11.7
229.05643	1.2
231.03526	2.7
233.01382	6.2
235.03114	1.9
239.06088	1.3
246.97752	1.1
247.03044	29.6
251.02649	1.4
256.99689	3.6
257.05042	1.1
259.03018	3.1
265.04050	7.6
274.97626	1.6
275.00397	1.3
277.04092	5.6
289.04065	15.7
289.07602	5.5
307.05072	9.4
307.08414	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01867	1.7
56.96301	1.0
56.96568	13.9
57.03438	3.8
58.99869	2.4
61.02922	2.4
65.01674	0.7
68.98287	1.6
69.03448	4.7
69.39187	5.2
70.98110	2.0
70.99862	3.6
71.05004	1.0
71.95271	1.6
72.96048	0.8
73.01400	1.4
73.02927	3.8
77.00911	1.1
81.03425	2.2
81.04539	1.6
82.99836	15.3
84.96041	2.4
85.02918	9.4
86.03248	1.1
86.09715	1.3
86.99355	1.1
87.04465	1.2
89.00884	1.9
91.02458	1.0
94.99846	0.9
97.01399	7.3
97.02884	6.3
98.97591	13.5
100.69028	0.9
101.00888	100.0
102.00938	1.4
102.96931	1.0
103.02460	1.5
105.00360	0.9
109.02910	0.9
109.07647	1.1
110.97568	4.2
112.99138	3.2
113.00874	16.0
115.02438	29.1
115.03255	1.4
116.98608	4.1
117.04008	1.9
118.61843	0.7
119.01928	98.4
119.51942	0.9
120.02068	1.3
121.01727	1.1
124.02483	1.1
124.95516	2.2
125.00892	1.0
126.98779	4.1
127.00685	1.0
127.02420	2.8
127.03926	4.0
127.04992	1.7
127.08689	2.1
128.98582	3.9
129.00287	1.0
129.03981	10.0
131.00294	1.7
131.01915	28.6
133.03479	35.0
137.02957	8.8
139.02463	1.4
139.33003	0.8
140.02324	1.7
140.98663	0.8
141.00282	1.1
141.03929	0.9
142.03542	1.3
142.96527	0.9
143.00284	3.7
143.01903	43.6
144.02013	1.1
144.99872	4.3
145.01695	1.7
145.03491	9.4
146.32407	0.8
146.99619	1.5
147.01378	3.2
147.05009	7.0
149.02968	6.5
151.04529	3.2
152.98596	1.0
153.00331	1.2
153.01662	0.8
155.01877	5.3
156.99847	1.2
157.01744	1.0
157.03484	7.6
158.99677	1.8
159.01396	4.0
161.01360	4.1
161.02966	67.8
161.06630	1.9
163.02727	1.4
163.04532	1.6
167.01932	1.9
168.99837	16.2
169.03465	2.2
169.04640	1.4
169.54565	4.0
170.96092	2.0
170.99837	1.7
171.01401	15.0
172.99222	1.0
173.02971	20.1
173.95602	0.8
174.99307	1.6
175.00914	5.0
175.03053	1.3
175.04555	3.4
176.03348	1.1
177.02486	1.9
178.04886	4.9
178.55165	4.3
179.02277	2.7
179.03949	1.5
180.99806	1.1
182.53638	2.0
183.01511	1.1
183.03540	0.8
183.05121	1.3
185.02974	6.4
187.00885	32.6
187.04446	4.9
188.97096	3.0
189.00766	2.3
189.02432	17.0
191.04044	9.0
191.53998	1.4
193.00256	1.0
193.02066	1.0
193.03899	1.8
196.99294	8.2
197.02873	1.1
198.04753	1.5
198.54849	2.3
199.00890	20.1
199.04642	3.2
199.06444	1.1
199.79733	0.7
200.04370	1.2
201.00710	2.3
201.02477	6.6
201.06219	0.7
203.00424	1.4
203.04047	3.9
205.01979	8.0
206.98268	1.2
207.01833	1.1
207.03531	3.2
207.05255	1.4
207.55396	3.5
215.00383	36.6
217.01958	32.9
219.01878	1.3
219.03578	10.6
221.05064	5.0
228.99942	1.3
229.01961	11.5
229.05608	1.5
230.54581	0.8
231.03572	3.8
232.03865	0.8
233.01501	6.8
235.03162	1.3
235.06688	1.4
237.02789	1.0
239.06248	1.5
245.01436	1.6
247.03020	33.2
251.04420	2.2
256.99689	2.2
257.01981	1.2
257.05154	3.3
259.02988	2.9
259.06671	2.8
261.04642	0.8
265.04022	4.6
272.56717	1.5
277.04166	4.8
289.04092	12.1
289.07779	7.8
293.05646	1.2
307.05139	6.9
307.08319	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.128
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
50.33372	0.6
53.03932	1.0
55.01863	1.4
55.05501	0.6
55.70217	0.4
57.03434	0.5
60.04516	0.5
60.50314	0.4
65.03942	1.2
67.05498	0.9
68.99797	2.1
69.03427	0.6
69.24013	0.4
70.02674	1.9
70.03046	1.0
79.05492	3.0
81.03425	1.6
81.07062	2.3
83.04973	0.6
85.02887	0.6
85.86080	0.5
86.29564	0.4
91.05492	4.5
93.03426	0.6
93.07038	0.7
94.04192	1.0
95.04961	2.1
95.82323	0.5
97.02968	0.5
98.21577	0.7
98.97573	0.5
99.04424	0.6
103.05481	5.0
105.03387	0.7
105.07038	4.7
107.04972	3.7
109.02920	1.1
109.06527	4.3
111.00824	0.9
111.04471	2.2
111.74154	0.4
113.06048	0.7
115.05453	1.9
117.07045	1.5
119.04956	1.6
120.05729	0.6
120.08151	0.8
121.02869	5.8
121.06509	9.8
122.03657	1.6
123.04437	1.9
123.08070	1.1
125.05925	0.5
129.07022	1.4
131.04926	5.8
133.02873	0.8
133.06497	1.3
134.03651	1.6
135.04431	1.7
135.08064	11.5
136.05225	0.8
137.02347	3.8
137.03362	0.9
137.05984	24.0
137.09543	0.5
139.07524	0.7
141.06979	1.6
143.04967	2.5
145.06525	2.5
147.04407	3.5
148.05196	1.6
149.02353	7.7
149.04808	0.9
149.05995	16.0
150.03194	0.6
150.06694	0.7
151.07558	13.2
152.06213	12.5
153.01848	5.9
153.07024	2.0
155.04944	0.6
155.08630	0.6
156.09364	0.5
157.06516	3.0
159.04388	0.6
160.05194	0.7
161.05978	2.7
162.06781	0.9
163.03905	2.4
163.07558	22.6
164.07028	0.8
164.92372	0.5
165.01839	1.5
165.07005	8.2
165.09105	3.5
166.07799	8.2
167.07202	2.0
167.08574	40.1
169.06499	3.3
171.04453	0.8
174.06750	1.4
175.03946	0.6
175.07527	2.2
176.06229	0.7
176.08359	0.5
177.05574	0.8
177.06978	3.9
177.09132	2.0
178.07578	0.9
179.08585	0.6
180.05717	0.8
181.06525	4.2
181.10130	2.1
183.02872	0.7
183.08116	1.2
184.08830	2.7
185.06009	3.9
187.07593	1.1
189.05525	1.0
189.09079	0.7
191.07062	1.3
194.07274	4.9
195.08066	50.4
196.08775	2.6
197.05998	10.1
198.06613	1.0
199.07503	0.6
199.11206	1.1
203.03345	0.6
203.07050	1.1
205.06534	0.9
209.09656	5.1
210.06650	0.5
211.07544	3.7
212.08353	9.1
213.05501	6.1
213.08983	1.0
215.06601	0.6
216.04356	0.6
221.06094	0.6
222.06892	0.6
223.07568	16.3
224.08337	1.2
225.05499	1.9
227.07040	1.3
227.10684	55.8
228.11099	0.8
229.08548	0.9
231.06543	7.8
237.09138	2.7
239.07042	1.2
240.07813	4.8
241.04980	2.6
241.08577	0.9
241.12308	1.7
242.05743	0.6
251.10608	0.6
255.10181	46.7
256.10846	1.8
257.07999	0.7
258.05283	1.4
259.06052	5.0
259.13409	1.4
269.04498	0.7
269.08185	0.9
269.11725	2.1
272.10428	1.6
287.05527	100.0
287.12695	29.2
288.05844	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
65.03927	0.5
67.01862	0.5
68.99789	2.2
69.03428	0.1
69.07068	0.2
69.16266	1.5
76.70766	0.2
77.58590	0.2
79.05483	0.7
81.03409	0.4
81.07040	0.2
89.78536	0.2
91.05480	0.2
95.04955	0.2
95.08622	0.3
97.02849	0.2
103.05444	0.2
105.03385	0.9
105.07051	0.3
107.04961	1.0
107.08575	0.2
109.02869	0.9
111.00809	1.6
111.04457	0.3
115.05453	0.2
117.06990	0.2
119.04932	0.2
119.08573	0.4
121.02876	6.3
121.03830	0.3
121.06531	0.2
121.10165	0.2
129.06996	0.4
131.04897	0.2
133.02887	1.0
133.10098	0.2
135.04443	0.4
137.02344	2.4
141.06999	0.3
145.06511	0.3
145.10193	0.2
147.04422	1.2
149.02333	0.2
153.01839	10.8
157.06505	1.3
161.05980	0.5
165.01845	3.5
171.04402	0.7
173.13313	0.2
175.03888	0.3
175.07574	0.2
183.02919	1.8
185.05980	1.1
189.05554	0.2
197.06058	0.3
199.03844	0.2
203.03493	0.2
203.07037	0.2
213.05472	3.0
216.04195	0.2
217.05269	0.1
223.04187	0.2
229.04988	0.6
231.06516	1.4
241.04951	1.6
243.06361	0.2
249.70567	0.2
258.05264	2.0
259.06100	0.8
269.04422	0.3
287.05515	100.0
287.23669	0.4
288.05807	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01868	0.2
61.67520	0.2
65.03937	0.4
67.01826	0.2
68.99796	2.2
69.03413	0.3
71.01343	0.2
71.40617	0.2
71.40939	0.2
75.18497	0.2
77.03902	0.2
79.05482	0.6
81.03423	0.4
95.04955	0.3
103.05487	0.3
105.03375	0.8
107.04963	1.2
109.02866	0.7
111.00803	1.3
111.04446	0.4
115.05438	0.4
117.07029	0.2
119.04948	0.3
121.02876	6.9
121.03860	0.3
127.03933	0.2
128.06207	0.3
129.07001	0.3
133.02873	1.0
135.04420	0.4
136.35280	0.2
137.02353	2.5
145.06517	0.4
147.04430	1.4
153.01842	11.2
157.06516	1.8
157.37767	0.2
161.05984	0.4
165.01848	3.2
171.04408	0.6
175.03937	0.3
183.02898	1.6
185.05933	1.0
189.05519	0.4
198.88391	0.2
199.03859	0.2
203.03394	0.2
203.07048	0.3
208.73094	0.2
213.05505	3.2
229.04955	0.3
231.06522	1.0
241.04985	1.5
258.05246	2.5
259.06049	0.5
267.24130	0.2
269.04410	0.4
287.05521	100.0
288.05795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03952	0.2
55.01861	0.1
65.03934	0.5
67.01855	0.3
68.99791	2.5
69.03425	0.3
69.22300	0.1
70.58576	0.3
70.58953	0.1
71.01349	0.1
79.05497	0.7
81.03409	0.4
83.45196	0.1
91.05471	0.2
95.04966	0.3
103.05462	0.2
105.03384	0.9
107.04950	1.4
109.02895	0.6
111.00810	1.6
111.04451	0.2
115.05478	0.2
115.93922	0.1
119.04944	0.2
121.02868	6.4
121.03925	0.3
127.03925	0.2
128.06163	0.2
129.07013	0.4
131.04903	0.1
133.02843	0.9
135.04395	0.3
137.02330	2.0
141.06996	0.3
145.02826	0.1
145.06491	0.5
147.04420	1.3
153.01828	11.1
157.06477	1.7
161.05986	0.4
165.01840	3.5
169.06488	0.2
171.04416	0.6
183.02898	1.7
184.05092	0.1
185.05995	1.1
189.05460	0.3
191.03374	0.1
194.02222	0.1
197.05991	0.3
203.03441	0.2
203.07080	0.4
213.05463	3.1
216.04253	0.2
218.12061	0.1
229.04953	0.3
231.06479	1.2
241.04967	1.7
242.05673	0.1
243.06502	0.1
258.05243	2.1
259.06049	0.9
269.04446	0.4
287.05496	100.0
288.05780	0.9
295.84354	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	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11852	0.2
65.03934	0.3
67.01862	0.5
68.99793	2.2
69.03452	0.3
70.62582	0.5
79.05475	0.5
81.03432	0.3
84.33916	0.2
86.75714	0.2
95.04976	0.3
99.16761	0.2
105.03395	1.0
107.04981	0.9
109.02879	0.7
111.00822	1.4
116.05743	0.2
117.07050	0.2
121.02872	5.6
121.03916	0.3
128.44310	0.2
129.07007	0.4
133.02876	0.8
135.04379	0.4
137.02345	2.0
145.06477	0.4
147.04411	0.9
153.01839	9.9
157.06470	1.3
161.05951	0.2
165.01826	3.1
171.04346	0.4
173.70355	0.2
183.02864	1.1
185.05980	1.0
189.05437	0.3
189.55382	0.2
197.05994	0.4
199.03908	0.2
203.07054	0.3
213.05449	2.9
231.06564	1.2
241.04953	1.6
243.06502	0.2
244.42982	0.2
258.05231	1.4
259.06021	0.7
269.04419	0.4
274.61472	0.2
279.25507	0.2
287.05508	100.0
288.05890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.06291	0.2
53.03950	0.3
53.55131	0.2
54.58997	0.2
59.55902	0.2
65.03941	0.5
67.01862	0.4
68.99792	2.6
69.03435	0.3
69.30777	0.7
69.31197	1.0
79.05482	0.5
95.04968	0.5
105.03376	0.9
107.04983	1.2
107.49076	0.2
109.02876	0.9
111.00800	1.6
115.05462	0.3
119.04914	0.3
121.02871	7.3
121.03899	0.3
128.06244	0.3
129.07014	0.4
133.02837	0.8
135.04388	0.3
137.02347	2.2
137.56377	0.2
145.06534	0.5
147.04430	1.7
153.01837	12.5
157.06480	1.4
161.05919	0.2
165.01857	3.7
169.06500	0.2
171.04433	0.9
183.02922	1.7
185.05966	1.1
189.05493	0.3
197.06120	0.3
203.03363	0.3
203.07042	0.3
213.05515	2.9
229.04926	0.4
231.06570	1.3
241.04964	1.8
258.05255	2.5
259.06009	1.1
267.51532	0.2
269.04440	0.4
287.05508	100.0
288.05817	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62360	0.1
52.94283	0.2
60.60686	0.1
65.03953	0.2
66.23155	0.1
67.01852	0.3
68.99451	0.2
68.99789	2.1
70.84579	0.3
79.05480	0.5
81.03414	0.3
82.34386	0.2
87.84878	0.1
103.05503	0.3
105.03384	0.9
105.09843	0.2
107.04977	0.9
109.02882	0.5
111.00797	1.7
115.05446	0.2
117.42447	0.2
119.04919	0.2
119.84182	0.2
121.02869	6.0
121.06519	0.3
123.04403	0.2
128.06210	0.2
129.07008	0.3
131.04938	0.3
133.02908	0.9
135.04410	0.3
135.08035	0.2
137.02345	1.9
137.05983	0.3
138.22214	0.2
141.06992	0.2
143.15572	0.2
144.54985	0.1
145.06509	0.4
147.04427	1.3
149.05928	0.3
153.01839	9.6
157.06502	1.2
161.05977	0.3
163.07527	0.5
165.01837	3.6
167.08557	0.4
169.06393	0.3
171.04407	0.6
175.07532	0.2
175.80222	0.2
183.02905	1.4
185.05986	1.1
189.05449	0.3
195.08099	0.8
197.05998	0.5
199.03802	0.2
203.03403	0.2
203.07175	0.2
212.04732	0.2
212.08507	0.2
213.05441	2.5
216.04163	0.2
223.07550	0.3
227.10672	0.9
229.04929	0.3
231.06529	1.2
241.04936	1.5
255.10199	0.8
258.05283	2.0
259.06042	0.9
269.04330	0.3
287.05505	100.0
288.05841	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49292	0.6
56.00554	0.7
62.67577	0.6
69.83952	3.2
74.64574	0.6
82.99874	1.1
84.37231	0.6
98.77376	0.6
98.97595	2.8
101.00890	7.0
102.00986	1.5
102.96870	1.9
103.00660	3.4
116.98684	1.4
119.01929	9.4
120.02031	2.3
121.01682	3.6
130.93294	0.7
133.58745	0.6
134.99886	1.0
137.02997	1.2
140.99004	0.6
142.03534	0.8
142.98541	1.0
158.99902	2.5
160.42210	0.6
160.99631	1.3
161.98320	0.6
161.99763	2.1
164.41394	0.6
172.94362	2.0
176.00175	0.8
177.00951	8.2
178.01105	0.9
179.00713	8.8
180.00818	7.4
182.03601	0.7
184.99780	0.9
185.99747	0.8
190.95549	1.3
200.00227	1.3
201.00961	1.0
203.00780	1.3
204.00813	3.0
214.95496	0.6
218.01241	9.2
219.02049	9.5
219.03915	1.1
220.02037	0.8
220.03979	1.8
221.01767	11.3
222.01953	13.2
227.00890	1.1
228.01077	2.1
232.96480	2.3
240.98129	0.7
245.01646	5.0
245.99522	1.1
246.01917	12.7
261.03143	0.9
262.03189	2.1
262.99771	1.4
263.02856	42.4
264.00476	32.1
264.03098	100.0
265.03113	1.2
281.00583	1.2
282.01590	6.0
286.99515	3.6
287.02045	1.2
287.04819	1.6
304.80829	0.6
305.00818	3.7
305.04550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01870	0.9
55.05510	2.2
55.25830	0.8
56.05042	1.2
56.96570	5.4
57.03447	4.0
59.05001	3.0
61.02935	8.6
63.13472	0.7
63.56931	0.7
67.05524	0.8
68.99833	1.0
69.03433	5.9
70.06598	19.7
70.49258	2.6
70.98115	1.0
71.04992	5.2
73.02917	2.8
79.05489	3.0
80.05029	1.4
81.03408	1.9
81.07057	11.7
82.05320	1.8
83.06108	10.8
84.96062	1.3
85.02908	9.8
87.04484	1.5
87.08119	1.0
91.05448	0.9
93.04538	7.3
95.06095	16.7
96.04541	0.9
97.02892	5.0
98.97589	9.6
101.00838	2.9
106.02953	1.2
106.06604	1.0
107.05024	0.7
107.06060	2.9
107.06724	0.7
107.76406	0.7
109.02911	1.3
109.49846	0.8
110.07173	100.0
110.97584	3.5
111.05566	2.0
112.07609	17.5
112.08714	1.8
112.99171	1.0
116.73267	0.6
116.98626	3.5
119.01862	3.0
119.06087	0.9
121.02861	1.3
121.07647	1.8
123.46362	0.8
124.03967	34.9
124.07632	2.3
127.03920	2.9
128.02278	1.7
128.98593	1.1
130.08659	1.8
130.57343	0.7
133.03406	0.8
135.04405	1.5
137.02345	4.4
137.03308	0.8
137.05977	2.2
140.07098	8.0
140.98634	1.6
143.00150	2.2
143.01898	1.7
145.02774	0.9
146.02319	1.1
147.04434	1.8
152.02240	1.2
153.01817	0.9
156.03342	7.5
156.07715	14.0
157.09787	1.1
158.06659	1.9
158.99648	2.2
161.01204	1.0
161.02966	2.5
163.03893	4.2
163.12315	56.2
166.06186	2.2
168.03334	2.7
170.06671	1.3
170.99675	2.5
174.04396	2.7
174.99138	1.3
176.07660	1.2
177.00745	0.9
182.03419	2.1
182.99855	0.9
186.04410	7.3
188.03288	0.8
188.07709	2.4
189.00772	1.6
189.02460	0.8
190.13428	8.7
191.03879	1.3
193.00125	1.1
193.13419	2.1
197.03926	1.0
199.04468	0.8
200.04488	1.4
203.02238	0.9
204.05573	4.6
205.00250	0.9
206.02565	0.9
208.04980	0.8
208.14465	11.9
213.05519	3.2
219.01822	2.5
219.11307	1.9
224.07761	1.9
231.06613	1.2
236.13956	9.7
237.02855	1.9
240.17020	7.2
241.15509	1.3
249.83058	0.8
251.03670	0.7
254.15042	23.5
258.05298	0.9
268.16638	1.1
286.06076	1.9
286.09253	5.3
286.17645	67.4
287.05511	62.3
287.10806	2.0
287.17712	1.1
291.00452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
50.06405	3.6
55.05524	27.4
57.03440	16.5
59.60722	4.0
60.04515	4.9
63.00042	5.0
67.05513	38.2
69.03426	8.1
69.07076	63.5
69.30508	34.3
71.04990	12.7
71.35371	3.9
79.05492	18.1
81.03423	18.4
81.07059	54.3
83.04998	10.0
83.08621	18.4
85.02902	15.8
91.05491	41.7
93.07051	40.7
95.04948	19.9
95.08614	52.3
97.06518	23.8
97.10199	6.2
98.21534	7.5
98.98458	4.7
105.07036	83.5
107.08606	50.0
108.20437	4.0
109.06505	21.3
109.10153	29.1
111.08086	12.5
111.11747	5.3
116.92355	4.6
117.07011	7.3
119.08588	100.0
121.06527	13.9
121.10145	38.3
123.11706	25.9
129.07030	9.1
131.08571	20.5
132.95576	4.1
133.10146	59.7
135.08098	11.1
135.11707	14.3
137.09621	6.2
143.08598	12.4
143.10219	4.1
145.10121	26.8
146.07283	12.2
147.11690	34.3
149.13240	4.5
156.09285	4.6
157.10133	16.3
159.11737	19.2
161.09637	84.4
161.13303	11.8
163.14824	4.7
165.12811	5.9
169.10106	8.4
171.11662	11.6
173.13313	10.4
175.11215	12.5
175.14825	61.2
177.16426	17.0
183.11702	8.0
185.13289	15.2
193.12277	18.7
193.15924	11.5
197.13309	12.6
199.14897	5.0
211.13226	13.2
211.14877	14.3
267.21100	21.4
285.17032	14.1
285.22061	62.8
285.29895	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	285.1849
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
55.05513	1.5
57.03447	0.9
57.07068	1.1
61.56257	0.6
63.00035	1.2
67.05499	2.5
67.31732	0.7
69.07062	1.3
71.04987	0.6
79.05491	2.5
81.03407	1.2
81.07065	4.9
83.08610	0.9
85.02895	1.9
85.06535	0.8
91.05463	3.4
93.07026	1.9
95.04990	0.6
95.08600	2.6
98.98461	1.2
99.08125	2.8
105.07039	7.0
107.08594	3.0
109.06529	1.6
109.10143	1.2
115.05495	0.6
115.13332	0.5
117.07029	2.4
119.08591	8.4
121.10123	1.5
123.08085	0.8
123.11687	0.6
128.06239	1.6
129.06992	2.1
130.07745	0.9
131.08563	5.3
133.10130	6.8
135.11697	0.8
141.06989	0.8
142.07773	2.2
143.08568	14.7
144.09320	1.2
145.10121	11.6
146.10884	0.6
147.08141	0.9
147.11696	26.5
149.09610	2.1
155.08577	4.7
156.09421	3.0
157.10147	11.8
158.10915	16.3
159.11702	14.1
160.12358	0.6
161.09622	1.8
163.11255	1.6
163.14716	0.7
167.08574	0.7
169.10162	4.0
170.10921	19.7
171.11723	3.6
172.12514	1.2
173.03601	1.0
173.09631	0.7
173.13309	2.4
182.10931	0.9
183.11668	3.5
184.12480	1.3
185.13263	48.3
186.13713	1.1
187.11162	0.8
187.14867	2.1
193.12312	0.7
196.12543	1.1
197.13251	3.1
199.14737	3.0
200.48935	0.6
201.12773	1.0
201.16336	1.1
209.13235	1.4
211.14925	1.4
213.12750	1.0
213.16418	0.8
215.14378	2.9
224.15579	1.0
225.16548	0.9
226.17076	0.7
237.12845	0.6
239.17923	6.5
249.16397	2.1
267.17477	5.4
285.03949	1.0
285.18521	100.0
285.21945	5.2
286.18851	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
54.40873	2.0
54.74463	2.3
55.01873	5.7
55.05512	17.4
56.96572	2.1
57.03441	25.7
59.18293	1.9
63.00052	3.6
66.98064	2.3
67.05502	22.4
69.03426	7.4
69.07065	9.2
71.04990	5.1
71.49615	2.6
73.72947	2.1
79.05499	23.4
81.03425	100.0
81.07062	26.8
83.04978	8.2
83.08623	26.8
85.02908	34.7
86.83264	2.2
88.24205	2.0
91.05490	24.3
93.07047	14.5
95.04962	30.5
95.08603	10.2
97.02878	5.7
97.10196	2.6
98.98437	4.6
100.11295	2.2
105.07031	22.6
107.04961	9.1
107.08597	8.6
109.06587	2.7
109.10162	3.3
110.97526	3.0
111.04439	3.9
111.08086	16.4
115.05477	2.2
117.07104	2.8
119.08582	21.5
119.54009	1.9
121.02921	4.7
121.06445	2.7
121.10158	8.3
123.04432	2.3
123.08077	2.4
123.11687	3.9
125.09684	2.2
125.66004	2.3
129.07014	10.7
131.08577	8.5
133.06476	3.3
133.10139	9.0
137.05994	3.5
137.09628	3.7
145.10112	2.6
146.03650	2.4
146.63461	2.6
147.08087	3.8
147.11708	17.2
149.09613	7.7
153.01875	8.9
157.10152	17.4
161.06003	6.5
165.07040	14.8
165.12753	5.4
175.11243	17.3
181.06387	3.4
182.07285	3.8
193.06505	7.4
193.12251	67.5
195.90309	2.4
201.05617	2.4
210.06767	9.1
211.13274	30.4
221.06027	10.3
225.09198	15.7
227.07010	4.9
229.04976	6.4
229.14381	3.0
238.06305	4.7
253.03659	5.4
253.08603	20.5
257.04474	12.1
267.10269	6.0
267.16055	6.5
270.08755	3.3
285.04077	15.8
285.06906	2.7
285.08115	4.0
285.11292	31.9
285.16879	24.6
285.21909	3.8
287.05533	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08350	1.0
53.03937	2.6
55.01858	2.0
55.05518	17.9
57.03440	22.6
57.07061	1.9
58.27581	1.1
63.00039	1.1
65.03936	1.7
67.05511	32.9
68.99770	1.0
69.03423	1.7
69.06729	1.5
69.07072	18.8
69.92693	5.7
71.05006	5.0
79.05082	1.7
79.05502	21.4
80.75697	1.0
81.03407	1.7
81.07061	100.0
83.04990	9.3
83.08173	0.9
83.08620	11.7
85.02901	2.5
85.06551	6.5
91.05488	27.9
93.07046	13.0
95.04996	5.5
95.08615	21.7
97.06540	9.1
98.20789	1.0
98.98480	1.1
99.08099	5.7
101.06013	2.2
103.05473	1.2
105.06314	2.0
105.07034	39.1
107.08602	12.8
109.06535	7.0
109.10133	3.3
111.08052	1.6
117.07001	2.0
119.08592	33.1
121.09345	1.5
121.10149	20.2
123.08080	5.5
123.11716	29.9
127.07550	3.9
129.06981	4.0
131.08569	4.0
133.06458	1.3
133.10100	4.3
137.05914	1.1
137.13249	3.0
141.06950	1.2
142.07780	1.3
143.08504	3.0
145.10098	2.9
147.11699	76.5
153.01814	1.7
153.07004	1.9
155.08466	1.3
157.10139	7.0
159.11737	1.3
161.06021	5.1
165.06976	8.8
165.09135	1.3
165.12772	38.3
169.10202	2.1
171.11571	1.3
175.11221	4.1
181.06447	1.6
182.07249	2.6
183.11584	1.9
183.13811	4.1
187.14883	1.6
193.06462	6.4
193.12234	4.6
197.13338	1.3
199.61761	1.1
209.06009	1.0
210.06776	6.6
211.07607	1.9
211.13225	2.2
221.06006	7.6
225.09116	14.2
227.18010	1.2
229.05057	1.4
229.14310	7.3
238.06239	2.2
239.06964	1.3
242.05574	1.2
253.08662	21.0
255.06697	1.3
257.04361	2.5
267.15878	3.5
267.20993	2.2
270.08563	1.4
273.16348	1.2
285.04053	2.8
285.07562	4.1
285.11179	16.7
285.16940	42.0
285.21573	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
55.01861	4.0
55.05275	1.9
55.05512	21.2
57.03442	35.1
57.07066	3.0
59.05015	1.8
63.00037	2.1
67.05511	44.7
69.06735	1.8
69.07070	21.6
71.05000	8.8
71.95733	1.3
72.88546	1.2
79.05499	27.2
81.03422	28.0
81.07062	100.0
81.15726	1.2
83.04987	13.3
83.08625	18.0
85.02916	24.7
85.06531	6.0
91.05486	34.8
93.07053	20.7
95.04984	16.7
95.08610	25.8
97.06542	7.9
97.10198	2.0
98.21468	3.3
99.08095	4.6
105.07041	48.8
107.04961	2.3
107.08603	16.4
109.06531	7.1
109.10152	3.7
111.04445	1.9
111.08081	7.5
113.06016	4.9
117.07025	3.2
119.08597	37.7
121.09348	1.7
121.10150	23.9
123.08050	5.5
123.11716	29.5
127.07528	2.2
129.07008	6.6
131.08557	7.4
133.06439	1.4
133.10130	7.8
137.09586	2.2
137.13181	2.2
142.07813	2.5
145.10091	3.7
147.08011	2.5
147.11697	78.2
149.09602	5.0
150.61168	1.5
155.08734	1.5
157.10135	14.5
165.11446	2.1
165.12766	34.7
171.01375	3.4
175.11203	12.7
183.13786	3.0
193.12259	34.5
211.13306	21.2
229.14308	3.7
267.15939	4.5
267.21024	1.7
285.03915	1.4
285.16943	53.8
285.22125	5.7
285.25555	2.2
285.33258	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01868	1.4
55.05518	16.0
57.03440	24.4
57.07083	1.3
59.04979	1.3
65.06480	1.1
67.05511	33.8
67.89207	1.4
69.03403	1.2
69.06730	1.7
69.07072	18.5
69.67966	5.5
71.05006	6.4
73.21890	1.1
79.05498	21.0
81.03403	4.4
81.07060	100.0
83.04991	8.0
83.08620	13.6
85.02897	5.1
85.06544	5.8
91.05486	30.3
93.07042	13.5
95.04963	4.2
95.08613	21.0
96.99106	1.2
97.06522	6.8
99.04416	1.2
99.08080	5.2
101.06059	1.1
105.07034	37.9
107.05010	1.3
107.08589	13.6
109.06503	7.4
111.08070	2.1
113.06047	1.7
119.08579	28.3
121.10146	22.7
123.08079	6.3
123.10831	2.4
123.11710	31.5
127.07546	4.2
129.07010	2.7
131.08571	1.7
133.10120	5.2
137.13252	2.9
145.10062	2.1
147.11694	88.0
154.62419	1.2
157.10158	5.4
161.05937	1.9
161.93547	1.2
165.12762	42.0
167.35565	1.2
175.11230	4.2
181.14865	1.5
183.13820	3.1
191.40276	1.1
193.12299	8.5
211.13275	3.9
221.06007	1.8
225.09117	2.4
229.14381	5.5
239.06912	1.2
253.08572	3.6
257.04538	1.2
262.48004	1.4
267.15930	4.1
285.07687	3.0
285.11481	2.5
285.16962	51.0
285.21902	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52256	1.6
53.03936	3.8
55.01855	5.7
55.05285	1.6
55.05515	24.2
57.03445	48.5
58.37236	1.7
59.04977	2.4
65.03930	2.0
67.05510	38.0
69.03421	6.8
69.07073	12.0
70.74969	4.2
70.75318	1.6
71.04990	15.1
79.05498	34.9
81.03427	92.2
81.06597	2.6
81.07060	45.0
83.04993	20.4
83.08157	2.5
83.08624	35.2
85.02914	90.3
85.06525	2.6
91.05489	48.1
93.07053	29.6
95.04980	37.8
95.08624	22.8
97.06518	6.9
97.10154	4.9
98.98466	3.1
99.08074	2.3
102.43156	1.8
105.06400	2.8
105.07048	34.2
107.04937	7.5
107.08617	12.6
109.06516	6.5
109.10159	5.0
111.04427	3.2
111.08097	23.1
113.05980	7.9
115.05441	2.4
117.07045	2.1
119.04993	1.7
119.08597	33.1
121.06471	2.4
121.10147	22.1
123.08047	3.5
123.11691	5.2
127.07529	2.1
127.26607	1.6
129.07013	11.9
130.67892	1.9
131.08563	16.2
133.06503	4.0
133.10147	13.3
135.11687	2.2
137.09570	2.9
142.07813	5.1
143.08574	1.9
145.10109	4.8
146.03708	2.9
147.08084	3.9
147.11696	27.0
149.09647	8.6
157.10144	25.3
159.11623	2.5
161.05994	4.3
161.07248	1.9
161.13326	1.9
165.06998	6.4
165.12762	5.9
175.11194	24.0
182.07289	3.0
183.11623	2.2
193.06505	4.7
193.12267	100.0
197.13216	2.5
210.06787	4.7
211.13306	89.9
217.92067	1.8
221.05977	5.1
222.82408	1.7
225.09103	12.3
239.06961	2.2
253.08600	16.2
257.04535	1.9
267.21191	1.8
285.04102	3.3
285.07822	3.2
285.11508	12.4
285.16980	60.3
285.22220	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
53.43628	1.9
55.01864	8.1
55.05518	28.2
57.03440	55.2
57.21457	2.0
59.05008	2.7
59.27038	2.1
60.26647	1.8
63.00049	2.3
65.03922	3.0
67.05511	40.8
68.86526	1.8
69.03429	9.0
69.07059	12.2
70.65176	5.4
71.04994	11.7
75.08854	1.7
79.05082	3.2
79.05502	46.0
81.03425	100.0
81.07063	51.7
83.04987	26.3
83.08624	40.0
85.02911	86.5
85.06541	3.3
91.05489	52.0
93.07049	28.9
95.04974	49.3
95.08614	19.1
97.02879	3.0
97.06523	8.7
97.10168	3.6
105.07034	36.2
107.04960	11.3
107.08597	13.7
107.46931	2.0
109.06531	8.7
109.10160	4.5
111.04457	5.8
111.08080	21.7
113.06004	8.4
117.07008	5.1
119.08584	31.1
121.06529	2.6
121.10152	18.5
123.08048	6.1
123.11699	3.9
129.07018	14.6
131.08592	18.2
133.06497	5.8
133.10158	18.6
137.09642	2.6
142.07799	2.7
147.08122	4.1
147.11688	31.8
149.09627	11.1
157.10150	25.9
161.06015	5.5
165.07016	6.3
165.12788	8.1
175.11209	28.5
193.06523	3.2
193.12259	94.0
210.06815	2.6
211.07765	2.4
211.11345	4.0
211.13316	63.1
221.05945	6.8
225.09102	11.5
227.06834	2.7
229.04962	6.7
238.06390	2.5
253.08659	11.4
257.04459	6.2
267.15891	7.4
285.03958	19.3
285.11343	17.6
285.16989	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14530	1.9
53.03952	4.7
55.01873	5.4
55.05513	28.7
56.47932	1.8
57.03440	45.2
59.04999	2.6
63.00020	2.6
67.05506	40.7
69.03430	6.5
69.07076	11.0
69.90222	10.3
71.04983	10.1
79.05499	38.8
81.03419	100.0
81.07055	39.6
83.04961	15.2
83.08624	33.1
85.02908	77.1
85.06561	3.8
91.05485	42.5
93.07056	26.0
95.04966	42.0
95.08607	20.3
97.02847	4.8
97.06536	6.8
97.10154	3.9
98.20851	2.6
98.98446	3.1
99.08073	3.0
105.07040	36.2
107.04938	8.1
107.08596	13.3
109.02887	2.1
109.06533	5.5
109.10154	9.1
111.04452	2.9
111.08084	20.5
113.06015	6.2
117.06995	2.6
119.08579	30.6
121.06559	2.8
121.10143	20.1
123.08060	7.2
123.11678	3.1
128.06273	3.0
129.07010	17.0
131.08574	14.4
133.06470	3.8
133.10141	10.6
137.05916	1.9
137.09615	3.1
142.07816	4.3
142.24458	2.0
146.03636	2.8
147.08102	4.6
147.11691	28.5
149.09622	10.9
154.07826	2.4
157.10144	18.1
161.05969	6.8
165.01952	4.3
165.07065	13.1
165.12758	8.2
175.11203	23.7
181.06544	3.2
182.07375	5.4
183.98405	2.0
193.06471	8.3
193.12256	88.1
193.70303	1.9
194.07210	2.2
201.99075	2.2
209.05978	3.3
210.06783	9.6
211.13289	51.9
221.05949	16.1
225.09140	16.8
238.06395	4.3
252.07803	2.9
253.08563	27.8
267.10040	5.0
267.15942	8.5
285.04013	2.1
285.07980	4.5
285.11215	23.0
285.16953	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.01870	5.3
55.05518	30.4
57.03159	3.3
57.03441	59.9
57.07072	2.0
60.73265	2.0
63.72864	1.9
67.05189	3.1
67.05514	45.4
69.03417	6.1
69.07070	12.6
71.05006	13.0
78.46004	2.1
79.05502	47.2
81.03426	98.5
81.06596	3.1
81.07065	58.8
83.04987	18.1
83.08624	38.1
85.02915	100.0
85.06499	2.5
91.05489	56.2
93.07048	26.7
95.04391	2.7
95.04985	42.2
95.08621	25.9
97.02884	4.6
97.06531	10.7
97.10175	6.2
105.07035	41.7
107.04945	6.3
107.08598	10.1
109.06541	7.0
109.10155	6.8
111.04494	3.9
111.08100	20.0
113.06001	8.6
113.99039	2.1
117.07006	2.8
119.07804	3.4
119.08598	35.4
121.10166	18.7
123.08073	4.9
123.11732	3.9
125.09636	2.7
129.07013	15.5
131.08582	17.8
133.06468	3.7
133.10162	16.0
137.09610	3.6
142.07741	2.9
145.10088	4.2
147.08122	3.2
147.11710	33.5
149.09636	11.1
157.10135	22.3
163.11220	2.2
165.12837	5.3
175.11179	30.0
180.32169	2.2
193.12263	93.7
211.13301	71.1
217.14514	2.0
228.91412	2.4
267.15723	2.5
269.31201	2.0
285.16977	60.5
285.21741	2.8
305.45535	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01866	6.2
55.05512	24.7
55.59471	2.2
57.03442	57.9
67.05187	3.2
67.05513	39.9
69.03422	6.2
69.07062	11.7
71.04994	13.5
76.21970	2.5
79.05501	42.7
81.03423	92.5
81.07060	48.0
83.04996	17.3
83.08620	34.2
85.02911	94.3
91.05492	49.6
93.07043	36.5
95.04973	40.4
95.08618	20.2
97.02888	5.2
97.06529	7.7
97.10163	6.9
101.51601	2.4
105.07035	38.2
107.04949	9.1
107.08604	11.6
109.06527	8.1
109.10193	4.1
111.04504	5.7
111.08085	22.1
111.38036	2.4
113.05999	9.8
119.07806	4.1
119.08589	30.9
121.10178	16.1
123.00343	2.5
123.08028	4.8
123.11726	4.1
129.07005	14.8
131.08571	19.4
133.06497	3.0
133.10124	14.5
142.07800	5.8
147.08066	4.6
147.11708	26.9
149.09621	9.6
157.10133	27.4
165.12788	8.7
175.11186	26.6
184.03394	2.2
193.12259	100.0
211.13307	69.2
263.42282	2.7
285.16995	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01868	3.2
55.05271	1.8
55.05518	26.7
57.03445	57.0
57.07074	2.5
59.05000	2.4
65.03926	1.9
67.05516	37.5
69.03431	6.3
69.07069	13.0
70.43992	1.1
71.05003	10.9
79.05077	2.3
79.05505	33.9
81.03428	91.8
81.07066	49.8
81.07489	1.1
83.04986	17.1
83.08629	36.8
85.02916	88.7
85.06539	3.7
87.04444	1.4
91.05492	47.4
93.07058	26.7
95.04980	41.7
95.08633	15.3
97.02880	4.7
97.06553	7.7
97.10158	5.6
98.20723	3.1
105.04545	1.8
105.07044	33.9
107.04987	7.2
107.08595	11.3
109.06554	6.9
109.10169	3.9
111.04446	3.1
111.08094	18.1
113.06017	6.8
115.05478	2.1
117.07012	2.5
119.04881	1.4
119.08598	31.7
121.06499	1.8
121.10164	15.8
123.08072	3.7
123.11729	4.1
125.09646	1.5
129.07018	13.3
131.08578	16.8
133.06500	3.6
133.10156	17.7
137.09634	2.3
142.07796	4.0
145.10126	3.0
147.08047	3.9
147.11705	31.3
148.37024	1.3
149.09625	8.5
151.11180	1.3
157.10147	23.1
165.12766	5.2
175.11195	26.9
180.81197	1.2
193.12265	100.0
211.13316	68.5
285.16989	56.0
285.22025	3.2
302.72937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.1
55.01856	3.5
55.05515	34.5
57.03442	58.6
57.07055	2.1
59.04991	2.0
63.00044	2.2
65.03912	2.4
67.05511	46.0
69.03439	7.7
69.03729	1.5
69.07072	14.1
70.52755	1.5
71.04990	11.0
77.03896	1.5
79.05499	45.2
81.03424	96.2
81.07063	56.7
81.90987	1.7
83.04592	1.8
83.04990	22.4
83.08622	43.2
85.02910	96.8
85.06515	4.2
91.04930	2.8
91.05486	50.9
93.07050	33.0
95.04971	47.0
95.08077	1.9
95.08612	23.7
97.02865	5.2
97.06533	8.3
97.10149	6.8
98.21503	2.9
103.05493	1.7
105.07037	44.9
107.04977	7.9
107.08604	20.2
109.06543	8.0
109.10159	9.6
111.04392	4.7
111.08098	24.1
113.05983	7.1
115.05377	2.8
117.07001	3.8
119.08585	38.5
121.06495	2.3
121.10142	23.5
123.08040	4.0
123.11678	6.4
125.09586	1.9
129.07004	17.2
131.08568	16.6
133.06462	4.4
133.10153	21.1
135.11624	3.0
137.09599	3.7
142.07732	4.3
143.08548	2.6
145.10143	9.0
147.08051	3.8
147.11694	39.2
149.09654	10.5
157.08983	2.2
157.10149	25.2
159.11662	3.2
163.11108	2.4
163.14809	2.2
165.12741	7.8
169.10097	3.6
175.11194	28.7
175.14783	2.9
177.16377	5.2
185.13266	1.5
189.16336	2.6
193.12257	100.0
199.14774	2.0
211.13304	74.3
229.19434	2.0
239.17995	2.6
267.48434	1.8
285.16895	59.2
285.22067	6.9
285.25543	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01863	5.3
55.05283	1.8
55.05518	25.3
57.03441	51.9
57.07064	2.4
59.05007	2.3
67.05509	39.6
69.03420	6.4
69.07079	13.1
71.05003	11.9
74.80381	1.5
79.05086	2.7
79.05505	38.0
81.03424	89.5
81.06602	3.4
81.07062	49.7
83.04980	19.8
83.08627	36.2
85.02913	100.0
85.06521	4.0
91.05489	45.8
93.07043	28.0
95.04975	41.8
95.08618	16.6
97.02898	5.6
97.06548	8.3
97.10170	4.9
98.21616	3.6
98.98433	1.9
99.08109	1.8
105.07041	37.4
107.04954	6.7
107.08595	14.9
109.06527	9.4
109.10136	7.3
111.04461	4.6
111.08088	25.5
113.06042	8.4
119.08592	33.7
121.10151	18.6
123.08061	5.8
123.11720	5.7
129.07014	13.0
131.08574	18.3
133.06471	4.1
133.10159	14.2
137.09619	3.6
142.07771	4.5
145.10060	4.1
147.08061	4.8
147.11693	34.6
147.38112	1.8
149.09666	8.9
155.08661	2.1
157.10146	22.9
159.11751	1.9
165.12756	6.8
169.10210	1.8
174.13747	1.7
175.11215	27.3
193.12260	97.9
211.13306	80.1
238.55450	1.7
245.48810	1.8
285.16971	63.6
285.21872	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	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
54.60841	0.2
55.01888	0.3
56.96558	1.0
57.03425	0.4
57.55424	0.2
60.97765	0.2
66.54185	0.2
69.03403	0.5
70.84450	0.5
72.92259	0.3
73.02905	0.3
79.65827	0.2
85.02905	0.5
89.78042	0.3
97.02896	0.4
98.97573	2.2
101.00890	0.4
107.45781	0.2
109.05153	0.4
110.03541	2.7
116.98625	0.5
119.01891	0.7
128.04549	0.6
131.01884	0.4
135.03029	7.8
136.06194	1.5
137.01849	0.4
143.01912	0.5
152.05678	100.0
153.04080	4.1
153.05959	0.2
173.03015	0.3
177.00984	0.3
219.01949	0.7
226.85135	0.2
243.02011	0.8
261.00085	0.4
261.03018	4.9
279.00632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23079	3.2
53.02723	3.1
53.03950	7.5
54.76254	3.1
55.01875	5.0
57.03440	8.4
61.02925	7.5
69.03436	33.6
70.65056	6.5
70.65424	6.9
71.05001	6.4
73.02920	11.5
79.84647	3.2
81.03406	25.0
85.02915	100.0
87.00826	39.0
97.02908	63.2
99.04461	15.1
104.01691	3.1
105.01875	63.8
108.04510	13.1
109.02914	29.1
126.05508	5.6
127.03931	94.8
129.01773	5.3
139.07561	3.4
145.03818	4.4
145.04974	79.8
159.02930	27.6
177.03963	6.5
221.01485	3.9
222.99475	3.6
231.05008	32.4
248.07654	7.0
249.06006	6.8
284.10031	6.8
301.53467	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	284.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17104	3.2
52.90025	2.3
53.03941	8.1
53.43035	2.3
55.01867	9.1
57.03439	4.5
61.02923	5.2
66.43605	2.6
68.99793	3.3
69.03432	40.2
69.18360	25.3
71.04993	8.8
73.02927	15.3
81.03427	33.1
85.02911	100.0
87.00835	48.2
97.02296	4.8
97.02895	56.2
99.04467	14.5
105.01867	57.2
108.04475	8.8
109.02883	37.2
113.95246	2.7
117.01861	3.2
126.05534	6.3
127.03931	91.7
129.01871	3.0
145.04968	80.9
147.02831	4.5
159.02887	29.4
213.03828	4.6
218.39651	2.2
222.05011	2.1
230.06532	4.0
231.05045	27.7
241.08279	4.6
248.07701	6.7
249.06139	5.9
269.07837	2.8
284.09988	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	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03957	0.5
55.01863	0.3
55.05513	2.1
55.93515	0.4
56.94307	0.5
57.03427	0.4
67.05496	2.3
69.07079	1.6
70.95899	0.3
71.49987	0.4
71.50385	0.4
72.93787	1.1
79.05482	1.3
81.03432	0.4
81.07043	1.7
83.04968	0.9
83.08624	0.7
85.06510	0.4
91.05482	3.1
93.07045	1.4
95.04977	0.4
95.08604	1.8
97.10167	0.3
105.07030	4.1
107.08591	2.2
109.10157	1.7
111.04419	0.4
111.08057	0.4
115.05463	0.3
117.07024	1.8
119.08587	5.3
121.02783	0.7
121.06499	0.3
121.10145	2.1
122.98823	0.3
123.08079	0.3
124.71935	0.3
129.07047	1.5
130.07768	1.3
131.08569	2.6
132.09328	0.5
133.10135	6.6
135.08083	0.4
135.11687	0.7
141.06956	0.3
142.07785	0.9
143.08568	2.0
144.09332	1.1
145.10124	6.6
146.10851	2.0
147.11688	100.0
148.12018	0.8
149.09654	0.5
155.08548	0.8
156.09319	1.7
157.10120	3.3
157.63602	0.3
158.10861	0.7
159.11688	5.6
161.13228	2.2
163.11206	1.0
165.06952	0.3
167.08553	0.4
169.10150	2.3
170.10846	2.6
171.11703	4.5
172.12383	0.4
173.13261	1.1
181.10159	0.6
182.10939	1.1
183.11746	2.1
184.12473	2.1
185.13261	5.9
195.11732	1.1
196.12419	0.4
197.13287	3.0
198.14085	0.5
199.14799	4.8
208.12558	0.3
209.13251	1.1
210.14044	0.6
211.14827	1.3
212.15521	0.4
213.12741	0.5
213.16373	1.0
221.13219	0.4
223.14778	0.7
225.12869	0.5
225.16393	0.9
227.14433	0.4
235.14815	1.1
237.16397	1.5
239.17883	0.8
241.16048	0.6
250.17087	0.9
253.19551	0.4
255.21016	1.0
265.05179	1.0
265.19525	1.4
268.18350	0.7
283.03171	0.5
283.06253	3.0
283.09348	0.7
283.20572	43.2
284.20874	0.5
301.07239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03959	2.4
55.05519	7.0
57.03430	2.8
57.07072	3.2
59.04992	2.0
61.43903	1.2
67.05516	13.6
69.03433	3.2
69.07065	8.2
69.85971	6.0
71.04995	3.2
79.05495	12.8
81.06594	1.6
81.07066	24.4
83.04975	4.1
83.08614	3.1
85.06556	1.9
87.18292	1.4
89.06043	2.3
91.05484	13.5
93.06493	1.6
93.07054	23.0
95.04979	7.3
95.08615	19.0
97.06529	3.6
97.10174	2.2
99.08078	1.7
101.82206	1.3
103.05452	1.5
105.07040	26.7
107.04949	1.9
107.08595	19.9
109.06499	4.0
109.10168	11.0
111.08118	1.9
116.06243	2.0
117.07024	7.4
119.08598	25.7
121.06509	6.0
121.10164	31.1
123.08049	2.4
123.11699	4.1
128.06265	2.9
129.06999	4.5
130.07738	1.9
131.08578	30.3
133.10146	16.3
135.08104	6.1
135.11705	3.7
136.62383	1.4
137.09633	1.5
137.13263	2.3
141.06895	1.4
142.07776	5.7
143.08565	15.4
144.09309	1.6
145.10114	20.1
147.07997	1.9
147.11717	15.3
149.09622	1.7
149.13351	2.2
153.12727	1.4
155.08582	6.7
156.09340	6.1
157.10146	18.7
158.10892	5.1
159.08072	3.5
159.11725	9.4
161.09637	13.3
161.13240	3.2
163.11148	4.8
163.14854	2.6
165.07054	2.1
167.08603	2.4
168.09355	3.6
169.10149	6.7
170.10921	2.3
171.08064	2.1
171.11732	12.3
172.12633	1.5
173.09612	4.1
173.13281	40.4
175.11186	2.1
175.14859	3.5
179.08562	4.7
180.09343	2.6
181.10127	4.8
183.11707	8.1
185.09674	3.2
185.13283	13.3
187.11223	3.1
187.14801	3.1
189.12782	2.4
191.14293	3.7
193.10121	3.9
194.10977	6.3
195.11717	8.2
197.13255	5.3
199.11217	3.3
199.14859	10.8
201.12753	3.3
201.16339	4.8
207.11589	1.6
208.12482	1.8
209.13307	14.3
210.14020	2.1
211.14806	5.0
213.12746	4.4
213.16371	3.0
221.13335	2.3
223.14851	10.0
225.16409	5.8
225.71872	1.2
227.14394	6.3
235.14870	3.1
236.15578	1.3
237.16422	5.0
239.18002	2.1
240.15340	1.5
241.15962	2.1
255.21089	4.1
265.19565	25.8
283.15588	3.5
283.20593	100.0
284.20926	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00652	0.3
53.03945	0.4
55.01871	0.7
55.05517	2.3
56.96560	0.5
57.03421	0.7
57.07087	0.6
57.54300	0.3
59.05005	0.3
60.08127	0.3
62.03290	0.3
65.03932	0.4
67.05511	2.4
67.34617	0.3
69.07069	2.8
69.44543	0.7
69.44944	1.5
70.95834	0.4
71.04980	0.3
79.05505	2.2
81.07066	2.7
83.04962	1.3
83.08611	1.3
85.06554	0.3
89.06035	0.6
91.05479	3.2
93.07047	3.6
95.04977	0.6
95.08602	3.5
97.06516	0.5
97.10178	0.4
98.21467	0.6
99.08074	0.5
105.07039	4.8
107.08609	3.4
109.10163	2.0
111.04421	0.5
111.08100	0.7
115.05472	0.4
117.07005	1.9
119.08588	6.3
121.02842	0.3
121.06582	0.3
121.10153	2.6
123.08128	0.5
123.11694	0.4
128.06206	0.5
129.06995	1.3
130.07779	1.6
131.08569	3.9
132.09329	0.6
133.10130	7.5
135.11726	1.6
141.07021	0.6
142.07793	1.1
143.08556	2.2
144.09344	1.0
145.10129	6.4
146.10873	1.5
147.11691	100.0
148.12057	1.0
149.09576	0.6
154.07773	0.4
155.08560	1.2
156.09325	1.6
157.10141	3.9
158.10957	0.3
159.11688	6.6
159.12895	0.5
161.13290	2.8
163.11174	1.4
167.08589	0.6
168.09416	0.5
169.10136	2.0
170.10898	2.1
170.91623	0.3
171.11685	4.6
171.13028	0.5
172.12436	0.4
173.13208	1.7
175.11308	0.4
175.14848	0.5
179.08560	0.5
180.09296	0.4
181.10126	0.8
182.10953	1.7
183.11736	1.7
184.12479	2.1
185.13289	6.0
187.14847	0.8
193.10120	0.3
194.10925	0.5
195.11670	2.1
196.12379	0.4
197.13268	2.5
199.14839	4.1
200.15204	0.3
205.04752	0.4
207.11925	0.3
209.13361	1.6
210.13982	0.6
211.14833	2.3
212.15712	0.3
213.12714	0.6
213.16371	1.2
220.12584	0.4
221.13373	0.3
222.14040	0.5
223.14754	1.0
225.16339	1.3
227.14505	0.4
227.17894	0.6
235.14828	0.5
237.16420	1.3
239.17995	1.1
241.15765	0.5
241.19521	0.5
250.17186	0.8
255.21086	0.8
265.19522	2.2
268.18262	1.0
283.16003	1.3
283.20578	42.8
283.23972	2.5
284.20831	0.6
284.29611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.01874	0.7
55.05514	2.2
56.96576	0.4
57.03428	0.8
62.35364	0.3
67.05507	1.9
69.07072	2.6
69.60773	1.5
71.04997	0.6
79.05494	2.3
79.10205	0.2
80.09184	0.3
81.03422	0.4
81.07068	2.1
83.04982	1.2
83.08630	1.3
85.06505	0.3
89.06048	0.3
91.05480	3.3
93.07051	2.6
95.04993	0.7
95.08605	2.1
97.02884	0.3
97.06513	0.7
98.21555	0.2
99.08050	0.4
103.05444	0.5
105.07032	6.0
107.08591	2.9
109.06505	0.4
109.10160	1.6
111.04449	0.4
115.05454	0.6
116.06271	0.5
117.06991	2.2
119.04944	0.2
119.08591	5.6
121.02892	0.5
121.06528	0.3
121.10141	2.0
123.08054	0.6
123.11677	0.3
128.06252	0.5
129.06982	1.7
130.07811	1.7
131.08565	3.7
132.09293	0.7
133.10132	6.6
133.11125	0.5
135.08112	0.4
135.11684	1.1
141.07016	0.5
142.07774	0.9
143.08551	1.8
144.09337	1.1
145.10130	6.8
146.10907	1.5
147.11690	100.0
148.12047	1.4
149.09630	0.3
149.13225	0.3
153.12744	0.5
154.07802	0.4
155.08607	1.3
156.09369	1.8
157.10147	3.2
158.10945	0.4
159.11697	5.8
161.13264	2.0
163.11154	1.2
165.06915	0.3
167.08601	0.7
169.10141	2.1
170.10934	2.0
171.11699	4.1
172.12326	0.5
173.09593	0.6
173.13264	1.6
179.08617	0.4
181.10158	0.6
182.10936	1.1
183.11665	1.9
184.12497	1.6
185.13261	5.2
186.13943	0.3
187.14763	0.5
194.11006	0.4
195.11673	1.0
196.12454	0.4
197.13261	3.4
199.14857	3.8
207.11745	0.5
209.11552	0.5
209.13411	1.4
210.14063	0.3
211.14842	1.5
212.15466	0.7
213.12834	0.4
213.16432	0.9
217.31999	0.3
222.13895	0.4
223.14816	1.0
225.16371	1.1
227.14418	0.6
227.17801	0.3
235.14914	0.8
237.16385	1.5
239.18005	1.1
250.17290	0.6
252.18613	0.4
253.19579	0.3
255.21063	1.0
262.13943	0.4
265.19562	1.4
268.18246	0.7
283.02438	0.4
283.15421	1.7
283.20563	41.9
284.20932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.01886	0.4
55.05505	1.1
56.96554	0.3
57.03446	0.5
66.36547	0.3
67.05504	1.5
69.07073	1.4
69.45174	1.2
69.45582	0.5
79.05475	1.3
81.07054	1.0
83.05001	0.8
83.08624	0.7
85.06514	0.3
87.31978	0.3
91.05495	2.2
93.07053	2.4
95.04978	0.2
95.08602	2.0
97.10154	0.3
103.45895	0.3
105.07034	4.0
107.08602	2.0
109.10153	1.0
111.08098	0.4
115.05499	0.5
117.07008	1.5
119.08588	4.9
121.10148	1.7
125.09602	0.4
126.33456	0.2
129.06993	1.4
130.07785	1.4
131.08586	3.2
132.09357	0.5
133.10139	5.9
135.11653	0.3
142.07767	0.7
143.08553	1.5
144.09341	1.1
145.10135	5.5
146.10889	1.7
147.11693	100.0
148.12033	1.0
149.09621	0.3
155.08583	0.9
156.09348	1.7
157.10152	3.0
158.10942	0.5
159.11699	6.4
161.13246	2.2
161.18594	0.2
163.11224	0.6
167.08566	0.7
168.09294	0.3
169.10114	1.8
170.10913	2.0
171.11671	4.0
172.12456	0.3
173.09618	0.4
173.13278	1.1
181.10133	0.5
182.10930	0.8
183.11723	1.7
184.12489	2.2
185.13277	5.8
187.14828	0.6
194.10957	0.4
195.11729	0.6
197.13269	3.6
198.14157	0.3
199.14815	3.5
201.16481	0.3
208.12639	0.3
209.13260	0.8
210.13995	0.5
211.14767	1.4
212.15651	0.3
213.16394	0.9
221.13329	0.5
222.13858	0.4
223.14836	0.7
224.15742	0.2
225.16356	1.2
227.14380	0.6
235.14781	0.8
237.16316	1.3
239.17963	0.9
241.15726	0.6
250.17155	0.6
253.15796	0.4
255.21147	0.9
265.19559	1.5
268.18323	0.8
283.20575	44.7
284.20865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03950	9.1
55.01876	39.3
55.05515	74.5
57.03442	58.9
57.07058	6.7
58.90833	1.5
59.05014	9.9
65.03878	1.8
67.05508	44.9
68.16931	1.5
69.03416	4.1
69.07076	16.4
71.01360	3.1
71.05003	15.7
71.50159	1.8
71.50576	2.3
79.05499	65.8
81.02993	2.6
81.03423	32.5
81.06609	3.2
81.07062	59.6
83.01351	33.5
83.04987	40.6
83.08163	2.7
83.08620	37.8
85.02901	11.2
85.06548	4.7
86.08521	1.7
86.11347	1.5
89.06034	21.6
91.05484	43.3
93.07050	80.6
95.04977	20.3
95.08620	27.8
97.02867	4.6
97.06539	13.0
97.10167	6.1
99.04459	8.6
103.05486	3.3
105.04506	3.0
105.07038	32.1
107.04970	20.1
107.08604	44.3
109.06533	23.3
109.10152	9.2
111.04443	13.8
111.08067	6.2
111.11636	2.7
113.42511	1.8
115.05434	2.5
117.06366	2.0
117.07037	24.1
119.08580	30.9
121.06506	10.4
121.10155	28.3
123.08075	25.1
123.11696	2.8
125.05959	5.8
125.09653	5.0
128.06168	2.0
129.06979	5.6
130.07813	3.9
131.08575	10.9
133.08588	6.4
133.10139	8.4
135.08038	5.4
135.11694	47.6
137.09608	5.1
137.13210	1.6
139.07542	3.2
143.08533	4.9
145.06522	3.6
145.10133	51.9
147.08020	7.0
147.11719	4.1
149.09639	3.1
153.12749	13.2
155.08539	6.3
157.10130	2.9
163.11185	100.0
171.11603	2.6
173.09622	11.0
177.11244	2.2
181.12204	18.1
185.13220	2.6
191.10648	10.5
209.11729	25.9
227.12756	18.1
283.15387	89.8
283.20541	13.7
283.24005	4.9
301.05835	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	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03934	7.8
55.01872	45.8
55.05510	69.0
56.96574	2.8
57.03436	59.9
57.07061	3.9
59.04976	8.8
60.56892	2.3
63.70321	2.1
64.25321	2.5
67.05195	3.1
67.05505	42.9
69.03415	4.8
69.07058	11.4
69.91630	11.2
70.57482	2.2
71.01372	2.7
71.04993	12.5
79.05495	60.5
81.03000	2.8
81.03419	33.4
81.06605	4.2
81.07059	62.8
82.07412	2.8
83.01345	31.3
83.04977	45.3
83.05463	3.1
83.08616	34.1
84.09001	2.3
85.02900	11.7
89.06016	6.6
90.75118	2.8
91.05480	40.0
93.07047	75.5
95.04949	16.4
95.08599	30.2
97.02865	7.4
97.06545	16.3
97.10164	2.7
98.20931	3.3
99.04448	8.7
99.08112	3.1
105.04479	2.3
105.07027	28.0
107.04959	26.6
107.08585	44.0
109.06506	15.2
109.10148	5.3
111.04446	13.4
111.08058	9.1
117.07018	23.7
118.66031	2.2
119.07804	2.9
119.08582	25.8
121.06490	10.7
121.10140	26.9
123.08062	27.2
125.05923	3.5
125.09651	3.7
129.06979	6.9
130.07773	3.5
131.08545	9.7
133.08517	2.4
133.10109	6.3
135.08028	4.3
135.11694	45.3
137.09592	6.4
138.74699	2.2
139.07567	3.8
143.08521	3.3
145.06488	2.7
145.09091	4.8
145.10133	58.8
147.08026	8.7
147.11681	6.0
153.12737	18.8
155.08542	6.5
157.10141	2.9
163.11177	87.4
169.09987	2.6
173.09592	13.2
181.12225	19.6
191.10666	14.9
209.11720	26.2
227.12755	17.9
265.19714	3.5
283.15372	100.0
283.20547	8.2
283.23654	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43015	2.3
53.03944	9.5
55.01639	2.8
55.01871	39.8
55.05515	71.9
57.03440	68.0
57.07067	4.2
57.75032	2.7
59.05012	11.7
67.05508	49.6
69.03404	3.4
69.07075	19.0
71.01357	3.2
71.04996	14.6
75.73823	2.3
79.05500	70.2
81.03423	33.8
81.06606	4.0
81.07057	61.2
83.01344	40.1
83.04984	50.7
83.08616	39.5
85.02905	13.3
85.03319	2.4
89.06030	5.6
91.05487	40.0
91.25614	2.5
93.07049	93.6
95.04987	21.2
95.08062	3.2
95.08610	32.8
97.02874	6.2
97.06512	16.8
97.10150	6.2
99.04442	10.4
105.07035	32.5
105.56483	2.7
107.04960	23.9
107.07903	2.6
107.08602	41.7
109.06521	22.0
109.10155	8.7
111.04436	15.4
111.08065	9.2
117.07011	26.5
119.08578	29.0
121.06542	16.0
121.10149	28.6
123.08076	26.8
123.11739	3.4
125.05978	6.3
125.09624	4.6
127.07491	2.7
129.07019	6.2
130.07828	4.3
131.08586	11.8
133.10138	7.7
135.08055	6.4
135.10728	3.5
135.11697	50.4
137.09601	3.5
139.07532	3.7
143.08534	5.6
145.06502	3.7
145.10117	57.3
147.08095	5.9
147.11646	3.8
153.12784	17.2
155.08524	5.0
163.11183	89.3
163.12578	5.3
165.04324	2.4
173.09608	13.9
181.12236	19.7
191.10655	16.4
209.11728	29.9
227.12808	24.2
232.36131	2.3
265.05450	2.4
283.06247	3.1
283.15396	100.0
283.20541	9.3
283.23770	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.01878	5.7
55.05270	1.3
55.05511	13.3
57.03164	0.8
57.03439	13.7
57.07067	0.9
65.03967	0.8
67.05507	17.9
69.03422	1.8
69.07069	7.9
69.19897	7.0
71.04988	3.1
73.02912	2.2
77.09539	0.8
79.05494	27.7
81.03407	3.6
81.06592	1.5
81.07054	20.3
83.01306	1.2
83.04969	5.6
83.08624	9.6
85.06564	1.4
89.06036	2.0
89.06614	0.7
91.05479	8.3
93.07043	43.0
95.04964	7.8
95.08609	41.9
97.02876	4.8
97.06514	4.4
97.10164	1.9
99.04449	3.2
103.05392	1.1
105.07042	8.8
107.04962	11.6
107.07880	1.7
107.08600	31.1
109.06521	3.6
109.10165	4.5
111.04433	2.2
111.08108	1.0
113.06005	0.9
117.07019	11.2
119.08595	11.5
121.06516	6.2
121.10144	14.6
122.75268	0.8
123.08026	1.2
125.05991	3.6
130.07779	2.2
131.08565	2.2
133.10172	2.1
135.08051	2.5
135.11694	47.7
139.07549	2.1
143.08543	1.8
145.06458	1.1
145.10124	30.4
153.12726	1.2
155.08534	1.4
163.11185	71.5
173.09663	1.7
181.12230	17.5
191.10600	1.3
209.11771	2.5
209.55084	0.7
227.12787	100.0
228.13275	0.9
249.36987	0.8
255.15776	1.0
258.29956	0.8
283.15399	24.4
283.20575	3.5
283.23730	0.9
288.76273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.01883	27.6
55.05516	47.9
57.03440	43.8
57.07076	6.4
59.05009	4.5
63.46526	1.7
66.81850	1.7
67.05508	39.9
69.03434	3.9
69.07075	16.7
70.55783	4.3
70.56145	2.8
71.01353	3.0
71.04995	9.3
79.05500	62.1
81.03423	24.4
81.07063	50.4
83.01347	19.1
83.04989	30.6
83.08628	30.8
85.02908	7.4
85.06551	3.9
87.73679	2.1
89.06036	2.8
91.05490	32.1
93.07053	77.1
95.04978	17.9
95.08611	38.4
96.03287	2.1
97.02914	6.7
97.06531	11.1
97.10149	3.0
98.65183	1.9
99.04459	7.6
103.05475	2.0
105.07040	27.3
107.04964	23.2
107.08603	47.4
109.06537	14.1
109.10182	6.1
111.04420	9.8
111.08097	4.7
114.62261	2.0
117.07030	23.5
119.08599	33.7
121.02912	1.9
121.06512	12.9
121.10149	37.3
123.08074	13.3
125.06027	3.1
125.09637	2.7
128.06242	2.5
129.07076	3.5
130.07800	5.9
131.08583	13.3
133.10138	16.6
135.08070	5.7
135.11702	56.9
137.09590	2.4
139.07565	4.0
143.08585	4.4
145.06451	2.9
145.10139	56.5
147.08051	3.8
147.11694	21.8
153.12749	8.5
155.08498	4.5
157.10127	4.6
163.11189	100.0
164.11534	3.1
171.11797	2.0
173.09677	11.7
173.13295	2.0
175.11241	2.5
181.12244	21.9
185.13335	3.1
191.10651	5.8
195.11734	3.4
199.14853	2.7
205.05072	2.6
209.11722	20.3
209.13403	3.1
213.16318	3.4
227.12796	81.6
277.91098	1.6
283.15173	64.6
283.20624	19.4
283.23834	3.1
290.09335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01876	5.7
55.05278	1.0
55.05516	15.3
57.03440	13.1
57.07076	2.1
65.03937	1.2
67.05510	21.3
69.03436	2.3
69.07077	8.0
69.19589	1.9
69.19987	8.8
69.22591	0.8
71.04977	4.1
71.08689	0.8
73.02909	1.9
79.05498	34.3
81.03419	4.4
81.07061	24.5
83.04987	4.7
83.08629	11.6
85.06534	1.5
85.10218	0.9
89.06026	3.4
91.05486	11.4
93.07053	47.1
95.04977	9.0
95.08611	41.7
97.02885	5.2
97.06541	5.7
97.10168	1.3
99.04469	5.4
103.05467	1.2
105.07027	9.5
107.04969	11.3
107.07893	1.6
107.08602	30.2
109.06512	3.5
109.10143	2.4
111.04417	2.8
111.08057	1.3
113.06005	0.9
117.07030	11.5
119.07845	0.9
119.08595	10.9
121.06535	8.6
121.10152	16.3
121.95962	0.8
125.05976	3.5
128.06180	1.0
129.07047	1.5
130.07780	3.2
131.08578	2.1
133.08600	1.5
133.10133	3.1
135.08032	2.3
135.11699	54.7
137.09695	0.9
139.07550	1.5
143.08574	1.6
145.06487	1.9
145.10133	29.2
147.11676	1.2
148.89409	0.8
149.09581	1.2
153.12708	1.7
155.08536	1.9
158.05693	1.0
163.11191	73.3
164.11519	1.0
164.90427	0.8
171.11732	1.4
173.09598	2.8
177.11235	0.9
181.12260	17.3
191.10690	1.5
195.11598	1.0
199.11362	0.9
209.11722	3.1
227.12799	100.0
228.13087	1.3
255.15996	1.3
265.05426	1.0
283.06369	2.7
283.15344	26.2
283.20554	4.8
285.10840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20211	0.8
53.03949	3.5
55.01874	5.2
55.05516	12.2
57.03438	13.4
57.07072	2.5
67.05145	1.0
67.05507	20.1
67.48629	1.0
69.03436	1.6
69.07068	9.5
70.68208	2.8
71.04989	4.5
73.02924	1.6
79.05496	33.6
79.37622	0.9
81.03417	3.4
81.06593	1.6
81.07056	23.0
83.01332	1.1
83.04996	6.5
83.08609	9.6
85.02900	1.5
91.05486	10.8
93.07046	42.5
95.04960	8.4
95.08611	39.2
97.02903	5.0
97.06543	4.5
97.10152	1.7
99.04449	4.5
103.05423	1.2
105.07034	11.0
107.04952	10.4
107.08605	31.5
109.06516	2.5
109.10175	4.2
111.04454	3.7
111.08079	1.8
117.07034	12.9
119.07819	1.5
119.08583	14.5
119.57379	1.0
121.06522	6.0
121.10143	14.2
123.08051	1.4
123.11720	1.2
125.06000	3.5
129.07025	1.4
130.07777	3.0
131.08597	2.2
132.90646	1.0
133.10123	4.7
135.08078	3.2
135.11697	56.8
139.07520	2.4
143.08545	1.8
145.10130	34.7
147.11725	3.4
151.11237	1.1
153.12741	1.2
155.08556	1.6
163.11191	72.5
173.09622	2.9
181.12231	16.0
185.13202	1.2
191.10686	2.0
209.11766	4.4
227.12791	100.0
228.13078	1.2
283.15417	24.4
283.20270	4.7
283.23730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84457	1.1
53.03948	3.4
55.01870	7.1
55.05517	13.6
55.88319	1.0
57.03439	13.2
57.07082	1.2
59.05002	1.2
65.03934	2.2
67.05186	1.8
67.05508	22.4
69.03400	1.2
69.07079	9.3
71.04989	3.4
71.08583	1.2
73.02915	2.3
79.05490	34.1
81.03408	5.2
81.07062	24.5
83.01332	2.7
83.04989	8.2
83.08619	11.1
89.06040	2.2
91.05480	17.6
93.07048	41.7
93.07642	2.1
94.07417	1.2
95.04955	8.3
95.08611	40.9
97.02901	6.0
97.06531	4.6
97.10201	1.7
99.04487	5.5
103.05449	1.3
105.07036	14.6
107.04961	11.0
107.08597	35.6
109.06516	3.0
109.10153	4.0
111.04441	5.8
111.08051	2.3
115.05479	1.5
117.07018	11.9
119.08585	14.3
121.02867	1.6
121.06543	8.1
121.10138	20.2
123.08076	1.3
123.11720	2.9
125.05975	3.1
129.07018	2.3
130.07762	2.5
131.08574	6.8
133.06433	1.4
133.10135	8.8
135.08093	2.6
135.11691	57.4
138.32011	1.0
139.07567	1.7
143.08575	2.7
145.10130	37.8
147.08023	2.2
147.11716	8.6
151.03946	1.3
153.12708	2.7
155.08562	2.1
157.10074	1.7
159.11615	1.8
163.11189	77.3
169.10114	1.7
173.09628	4.6
181.12227	17.1
183.11551	1.3
185.13191	2.0
191.10703	4.5
205.04962	1.8
209.11699	5.8
211.14685	1.4
225.61284	1.2
227.12787	100.0
265.19382	1.7
283.15311	36.6
283.20593	9.8
283.23993	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	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01862	0.7
55.43771	0.3
57.03439	0.8
60.48733	0.3
65.03934	2.5
68.99784	0.4
69.03429	4.4
69.07059	0.3
70.95592	0.6
71.04995	0.5
73.02875	0.4
79.01878	0.3
81.03423	5.6
85.02438	0.5
85.02907	5.1
95.04970	5.5
97.02895	2.4
98.97564	0.3
99.04475	0.9
105.03386	0.6
105.04482	0.5
109.02895	3.2
111.04432	1.7
121.02869	100.0
121.03904	3.4
122.03165	0.5
123.04438	0.5
124.03984	0.3
127.03918	1.6
139.03903	8.6
139.04935	0.6
153.38498	0.3
265.07135	3.2
275.78580	0.4
283.02814	0.4
283.08218	1.0
285.01135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02420	0.8
53.03952	1.4
55.01878	1.5
55.05498	1.2
57.03437	1.9
59.05002	4.7
65.03953	0.8
67.05512	3.3
68.68544	0.9
68.99802	1.2
69.03438	2.4
69.07066	1.6
69.43214	4.9
72.36851	0.8
77.86623	1.0
79.05500	2.8
81.03416	2.3
81.07051	5.9
83.04987	1.8
83.08635	0.8
85.02927	1.7
91.05482	9.3
93.07047	8.1
95.04966	4.2
95.08605	1.1
101.02374	1.8
105.07015	1.9
107.04956	1.3
107.08595	2.1
109.06534	7.7
117.07016	1.5
119.08588	2.0
121.02879	2.8
121.06523	1.1
123.04436	11.2
123.08079	2.6
131.08624	1.6
133.10133	0.8
137.05988	57.7
138.06339	0.9
145.10143	1.9
147.04506	1.2
147.11713	5.9
149.05943	1.2
151.03914	100.0
153.12749	0.7
159.11674	1.4
163.07507	0.9
163.11183	1.8
165.05539	2.6
167.08582	1.0
169.10173	0.9
173.06058	0.9
177.05469	1.8
181.08598	0.9
181.10124	1.1
183.39186	0.8
185.13342	1.0
191.07037	1.4
193.04942	7.4
197.08107	75.1
198.08475	1.0
201.05479	2.1
205.08575	1.0
219.06514	3.9
222.07011	0.9
225.05577	1.1
225.07584	33.1
227.12700	0.8
233.08063	1.0
240.07813	2.6
247.24269	0.9
251.09074	7.6
255.02942	1.0
268.07401	2.7
283.02600	1.3
283.06259	2.2
283.09637	4.8
283.15424	2.4
283.20459	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	282.1199
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01860	0.6
56.96561	0.4
57.03437	1.1
59.05004	0.6
60.00518	0.2
61.02924	0.3
67.05509	0.3
69.03435	2.6
71.01355	0.2
71.04984	0.2
73.02925	0.5
75.04492	0.3
85.02919	1.4
85.06569	0.3
87.04473	0.5
88.87063	0.3
94.04049	0.7
97.02882	1.0
98.97591	0.9
101.06059	1.1
103.07584	0.9
109.02908	0.4
116.98598	0.3
119.03561	1.5
121.02876	1.4
122.07136	0.2
122.13715	0.2
123.04443	0.2
128.29561	0.2
128.98672	0.3
129.05492	0.2
134.09641	0.6
136.06192	100.0
137.04593	0.6
137.06577	0.4
146.99728	0.3
147.06563	0.6
150.07739	0.6
153.01834	0.5
167.07016	0.2
169.29150	0.2
181.04546	0.2
195.04076	0.4
201.04323	0.3
228.95831	0.2
275.16016	0.2
282.11990	3.9
282.22192	0.7
290.75421	0.2
300.06314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41802	0.5
53.03923	0.9
55.01875	2.2
55.80000	0.5
56.96303	0.9
56.96571	15.6
57.03449	3.6
58.99865	0.7
61.02930	4.3
66.70727	0.7
69.03091	0.7
69.03436	7.3
70.03770	0.6
70.98122	0.8
71.00849	1.0
71.01227	0.7
71.04997	0.9
71.95274	2.9
73.02924	5.2
74.03239	0.9
81.03426	2.1
84.96030	1.7
85.02439	1.2
85.02913	13.9
86.03259	1.5
86.09714	2.2
87.04484	0.7
89.00875	0.7
97.02904	8.1
98.03235	1.2
98.97594	100.0
99.04445	1.6
99.97917	1.8
101.00879	2.1
101.97227	0.9
102.00964	0.8
102.96878	1.3
103.00629	0.7
104.10739	1.0
109.02905	2.8
110.01297	0.9
110.03219	0.7
110.51532	0.7
110.97559	4.8
111.97175	0.7
112.99133	1.1
113.00893	1.0
115.02453	0.7
116.98633	35.0
119.01892	3.0
119.52010	0.7
124.99155	1.5
127.03970	3.8
128.04283	1.3
128.98639	3.6
131.00208	0.7
131.01903	1.1
132.10201	0.7
134.99670	7.2
136.06180	1.2
143.00180	1.9
143.01894	1.5
143.51944	0.7
145.01736	1.0
145.03532	0.6
145.04973	1.6
146.02336	1.3
146.65553	0.6
146.99666	1.2
149.02835	0.7
150.07764	58.6
150.97075	0.9
152.02315	0.9
153.01843	5.0
155.53065	1.0
156.03326	1.4
157.03513	0.7
158.99644	4.2
159.99995	1.2
161.01295	1.0
161.02824	1.3
161.53044	1.0
168.03256	1.1
168.98167	2.5
169.01889	0.6
170.99644	3.1
172.08273	0.6
173.02905	0.7
174.04381	1.2
174.99170	0.7
177.00758	3.0
178.54654	1.6
182.03508	0.6
182.53661	0.8
182.99655	0.6
186.04420	2.1
186.99144	2.9
187.02696	0.7
189.00768	2.8
191.02348	0.8
191.03839	2.9
191.54082	5.1
192.05569	0.9
193.00185	0.8
197.99936	1.2
199.00877	0.7
200.04448	3.1
200.54568	4.4
201.00583	1.2
201.04689	1.0
204.05504	1.0
205.00208	0.7
212.01096	1.2
212.04121	1.0
213.00568	0.8
219.01949	3.0
220.02052	0.9
221.05228	0.7
222.05235	0.8
223.04802	0.7
230.05171	0.7
230.98193	0.8
237.02849	4.7
238.03432	1.5
240.98785	2.2
255.04030	1.7
257.01044	1.2
258.99805	31.9
259.02493	1.4
271.02921	1.2
275.01950	0.9
277.00867	40.7
277.03424	1.4
279.03867	1.3
280.04233	1.6
282.01501	1.3
282.11835	3.9
300.02478	1.5
303.01300	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	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03947	1.1
55.05515	9.5
57.03431	0.9
57.07080	3.2
65.03939	3.2
67.05508	92.5
68.01191	0.6
69.03419	0.6
69.07069	10.7
69.36269	2.1
69.36688	1.9
71.05000	1.7
71.08637	1.4
79.05495	14.6
81.07060	100.0
83.08622	4.8
85.06543	1.7
90.86629	0.5
91.05487	4.4
93.07050	11.8
95.04978	1.1
95.08612	76.2
97.06558	1.8
97.10162	2.5
99.08095	0.8
105.07038	3.7
107.08607	8.2
109.06547	1.8
109.10162	46.7
111.08080	0.6
111.11749	1.0
117.07027	1.4
119.08590	3.5
121.02918	0.9
121.06614	0.5
121.10157	6.5
123.08119	1.4
123.11715	25.9
125.09599	0.6
131.08597	3.6
133.10124	3.8
134.99484	0.6
135.08105	1.1
135.11691	5.9
137.09656	1.1
137.13274	8.8
141.09097	0.6
145.10147	2.5
147.11673	3.0
149.02345	17.1
149.09653	0.7
149.13295	3.3
151.11186	1.1
151.14873	2.1
153.09166	0.7
153.15242	0.5
159.11714	2.3
161.13240	2.9
163.11211	1.6
163.14839	1.5
165.12881	0.9
165.16473	0.6
173.13278	3.1
177.12830	1.6
177.16394	1.6
179.14374	1.4
181.12222	1.3
187.14774	3.7
191.14333	1.5
195.13783	2.9
197.68942	0.6
201.16335	0.8
205.15910	1.4
209.13353	0.9
209.15453	2.5
219.21068	0.8
223.14999	0.9
223.16959	3.3
237.18581	1.3
243.21126	2.8
261.22156	5.4
279.09354	1.2
279.20044	2.1
279.23224	39.5
280.23706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.1
55.01868	8.2
55.05516	35.7
57.03440	30.2
65.03950	6.2
65.74556	1.9
67.05512	82.7
69.03439	5.5
69.07079	23.2
71.04990	9.3
71.08638	2.4
71.49029	1.8
79.05498	100.0
81.03426	14.9
81.07063	69.9
83.04984	36.2
83.08631	12.5
85.06544	4.7
91.04916	3.9
91.05487	76.1
92.76251	1.7
93.07056	78.4
93.07648	4.0
95.04977	27.8
95.08613	44.9
97.02914	3.8
97.06528	7.9
97.10171	4.0
99.08076	2.8
105.04523	4.4
105.06342	2.9
105.07039	56.3
107.04972	10.6
107.08606	32.4
109.02894	2.7
109.06533	9.7
109.10179	10.4
111.08024	2.8
115.05476	3.6
117.07050	13.4
119.08595	43.0
121.02861	3.4
121.06515	6.6
121.10184	9.1
123.08063	7.9
123.11710	2.5
125.05988	2.2
128.06242	3.1
129.07014	22.9
131.08571	6.8
133.06482	4.9
133.10126	19.5
135.08078	3.9
135.11708	3.9
137.09631	4.8
139.07564	2.7
141.07062	2.5
143.08583	12.5
145.06523	2.1
145.10147	13.4
147.08086	6.2
147.11705	42.9
150.02687	2.1
151.02898	2.7
152.16533	2.0
157.10161	2.9
159.11703	4.8
161.06000	4.6
161.09610	7.5
161.13280	18.3
165.09052	2.3
171.11707	33.6
175.14729	2.5
178.07742	2.7
179.14349	2.0
181.04984	3.1
189.05458	4.9
189.12759	10.6
189.16333	3.3
207.13805	13.0
211.14780	2.3
217.15926	4.3
221.08034	4.4
233.08066	2.5
235.16991	4.5
238.06305	2.2
243.37952	2.2
245.15379	3.8
249.09174	2.6
254.91635	2.4
263.16422	4.0
266.05557	2.4
266.09421	2.0
281.08029	6.2
281.11673	12.5
281.14764	4.1
281.17453	41.2
281.22598	5.5
299.06140	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	279.232
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.01319	0.4
53.03943	1.1
54.36334	0.6
55.05514	10.9
56.85017	0.5
57.03431	1.0
57.07081	4.9
61.11650	0.5
65.03951	3.0
67.05507	99.5
69.07066	10.5
70.75648	1.3
70.75986	0.7
71.04998	1.3
71.08637	0.7
79.05497	15.9
81.07058	100.0
83.04992	1.6
83.08618	5.3
85.06544	1.6
89.76685	0.6
91.05485	4.9
93.07050	14.5
95.04951	0.9
95.08610	83.8
96.08939	0.8
97.06548	1.7
97.10177	2.8
101.06077	0.7
105.07040	4.3
107.08594	9.5
109.06541	1.0
109.10161	49.2
110.10499	0.6
111.08086	0.8
111.11728	0.7
117.07043	1.1
119.08572	4.5
121.02861	0.9
121.06545	0.6
121.10141	8.0
123.08100	1.6
123.11712	26.0
131.08559	4.8
133.10152	3.3
135.08076	1.5
135.11687	5.5
137.09618	1.3
137.13257	8.9
139.11211	0.7
145.10109	3.1
147.11739	3.1
149.02341	20.5
149.09607	2.0
149.13289	2.8
151.11145	1.1
151.14799	3.4
159.11736	2.7
161.13307	1.6
163.11171	1.7
163.14841	2.1
165.12769	1.4
165.16389	0.9
167.10722	1.3
173.13283	3.2
175.14848	0.7
177.12752	1.5
177.16396	1.3
179.14388	0.9
181.12291	1.9
185.13344	0.8
187.14787	3.2
191.14349	1.3
195.13773	2.7
201.16426	0.8
205.15840	0.8
209.13393	1.2
209.15407	3.1
219.21187	1.1
223.16931	2.3
237.18538	1.4
241.08971	0.6
243.21149	2.8
261.22052	4.9
279.09402	1.0
279.20056	2.3
279.23215	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1228
Annotation	Artelin
Peak:m/z	Relative Intensity
51.06540	1.9
51.90222	2.2
53.03963	2.7
55.01864	9.8
55.05511	4.0
57.03447	3.0
57.07084	12.2
59.58542	2.4
60.33934	2.1
65.03945	2.8
67.05513	4.4
69.03423	5.5
69.07082	3.5
71.04992	2.6
71.49875	3.4
72.84797	2.4
79.05500	4.7
81.07064	5.5
85.02901	5.0
91.05494	24.9
91.94638	2.8
93.07029	3.8
93.73233	2.2
95.08624	3.0
95.67491	2.1
97.06545	3.8
98.97587	2.5
103.05476	9.8
105.07036	18.5
107.04994	13.3
107.08582	4.5
108.05328	2.3
109.06565	3.0
109.10207	2.6
115.05456	33.8
116.06267	4.2
117.07035	23.1
119.04930	6.3
119.08578	14.1
121.02895	5.1
121.03988	2.5
121.06554	6.2
125.05997	3.0
128.06210	10.5
129.06995	17.8
130.07777	6.0
130.93231	2.5
131.04955	15.5
131.08580	9.4
132.05727	9.3
133.06508	16.4
133.10144	2.5
141.06970	14.6
142.07828	2.9
143.04977	14.1
143.08556	8.7
144.05690	14.3
145.02881	3.0
145.06503	39.2
145.10144	9.0
146.03651	4.3
146.07265	4.2
147.04457	7.2
147.08051	27.5
149.02354	100.0
149.05948	3.2
151.07585	3.2
153.01909	3.9
153.06950	8.6
155.04910	3.0
155.06070	9.1
155.08536	8.4
157.06505	9.9
158.03630	4.0
158.07265	20.7
159.04440	8.7
159.08061	12.7
160.05206	5.3
161.05988	20.3
161.09607	3.0
163.07597	5.6
165.07004	9.6
167.03424	2.7
167.07022	8.2
168.05768	5.6
169.06516	8.0
171.04355	5.0
171.08081	7.3
172.05194	5.6
172.08826	3.9
173.05965	17.9
173.09636	24.8
174.06787	5.6
175.07562	44.7
177.05466	9.7
177.09019	2.8
178.06310	3.0
181.05035	8.3
183.08028	11.2
185.05920	5.4
186.06728	13.2
187.07561	18.7
189.05466	10.3
189.09116	6.3
191.07021	8.6
191.08572	3.5
191.10626	2.5
192.07841	6.4
193.08623	7.7
197.05992	2.8
200.08301	4.4
201.05467	20.8
201.09114	47.0
202.06252	2.5
203.07027	12.1
204.07793	3.3
205.04924	5.8
205.08609	17.7
206.09447	2.9
207.10170	98.5
211.07565	8.5
215.06967	6.9
217.08626	5.3
218.09390	3.9
219.08054	5.8
219.10190	18.6
221.08040	11.6
223.09666	9.1
229.08615	24.6
233.04518	3.6
233.08084	56.4
233.11664	18.4
235.09673	5.9
243.10133	5.4
243.24124	2.5
246.08907	6.1
247.09798	3.3
251.08740	12.2
251.12955	4.9
261.11325	24.3
261.13931	3.9
279.08368	24.3
279.12616	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	18.7
58.82965	3.9
71.48208	7.6
78.41935	3.9
98.97593	100.0
101.00880	4.7
103.56087	4.2
107.49947	4.3
110.97566	16.0
116.98623	25.3
124.99129	10.2
128.98538	6.9
140.98593	10.0
143.00130	8.4
158.99655	42.2
159.36897	4.0
161.01247	6.7
170.99608	5.4
176.95377	3.7
177.00757	23.0
181.57335	3.8
189.00661	10.6
219.01730	10.0
221.05074	7.0
237.02795	50.8
254.57359	4.2
255.03954	30.8
275.06201	5.5
279.04724	47.4
297.04901	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	279.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14064	0.9
53.03920	1.2
55.01867	3.7
55.05516	2.1
55.07126	0.8
57.03428	1.3
57.06843	1.0
57.07084	12.5
61.06323	1.0
63.71282	1.0
64.00118	0.9
65.03942	2.8
67.05492	4.2
69.03426	2.9
69.07065	2.6
69.19483	1.1
69.19741	3.8
69.20167	5.5
70.71647	0.9
72.49695	0.9
73.01514	0.9
79.05487	3.9
81.03413	1.5
81.07057	5.3
83.08633	1.4
85.02921	2.9
91.05480	7.8
93.07049	3.4
95.04956	2.6
95.08611	4.1
97.02894	1.4
97.06519	1.7
98.21588	1.3
98.97596	1.5
103.05442	2.9
103.35847	1.1
105.07040	8.4
107.04958	3.3
107.08596	3.3
109.06516	2.3
109.10153	1.6
115.05463	12.5
116.06259	1.7
117.07022	7.7
119.04972	1.3
119.08604	6.1
121.02874	7.1
121.04033	1.6
121.06506	1.5
121.10161	1.8
122.41812	0.9
123.04362	1.4
123.11654	1.1
124.05217	2.7
125.06052	1.6
128.06227	3.2
129.06973	5.1
130.04077	1.1
130.07857	1.3
131.04977	5.5
131.08557	3.6
132.05714	3.0
133.06479	6.9
133.10103	3.1
135.04407	1.2
135.08011	1.9
135.11699	1.7
139.03801	1.6
141.06966	3.3
143.04922	3.4
143.08525	2.7
144.05711	2.3
145.06502	13.4
145.10123	3.1
147.04420	2.6
147.08063	8.3
147.11726	1.4
149.02353	100.0
151.07579	1.5
153.01852	2.3
153.05487	2.7
153.06982	1.7
155.06073	1.8
155.08556	2.5
157.06483	1.9
158.07222	5.0
159.04411	3.1
159.08064	3.7
159.11731	1.1
160.05212	2.9
160.08797	1.3
161.05966	6.4
161.09633	2.2
162.06630	1.2
163.07584	2.5
165.05556	1.0
165.06932	2.3
165.09090	1.7
167.03400	2.1
167.07100	1.4
168.05809	1.3
169.06485	4.0
171.04387	1.3
171.08087	1.3
173.05989	5.3
173.09610	4.8
175.07590	11.2
177.05501	3.5
177.09047	2.6
178.06227	2.4
179.03384	1.2
179.06961	1.5
181.05003	5.9
181.06416	1.4
183.08066	3.5
186.06818	1.6
187.03868	1.2
187.07521	4.9
189.05495	3.4
189.09178	1.5
190.06255	1.6
190.07840	1.2
191.07043	2.9
191.08565	1.3
192.07835	1.6
193.08620	2.6
200.04715	1.0
201.05457	3.8
201.09126	11.7
203.07053	3.2
205.04974	2.1
205.08553	5.5
207.10167	21.7
214.06255	1.3
217.05090	1.4
217.08534	1.6
218.07353	1.7
219.08087	2.6
219.10199	2.8
221.06122	1.7
221.08031	7.1
229.08644	3.9
233.04372	1.3
233.08134	11.0
233.11633	4.5
235.09689	2.3
236.06679	2.1
238.69064	0.9
247.05853	2.0
251.08952	10.8
261.03827	1.2
261.11279	6.9
261.14795	2.8
261.18677	1.1
264.07758	1.4
269.57272	1.3
269.94656	1.0
279.05576	1.4
279.08786	18.7
279.12350	6.1
279.15894	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	279.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63377	0.8
56.96566	26.7
56.96839	1.0
62.77906	0.9
70.16843	2.6
71.95264	1.3
74.10257	0.8
82.99853	1.1
84.96035	7.7
85.02869	1.2
88.02799	1.0
97.02881	1.0
98.97591	67.2
101.00893	4.4
110.77326	0.9
110.97566	8.4
112.99122	5.3
116.98636	9.4
118.40664	0.8
119.01876	4.2
124.99130	20.4
126.97045	1.3
128.98561	3.4
131.00119	1.7
131.01921	0.9
140.98611	12.2
143.00179	24.6
143.01878	4.3
144.98022	1.7
145.23792	0.9
152.83487	0.9
155.00085	1.5
156.98065	1.2
158.99678	16.5
161.01303	5.8
161.02873	4.6
173.03004	1.1
177.00662	6.7
189.38295	0.9
192.05516	1.5
203.03979	1.4
219.01744	15.3
220.03351	1.5
221.05103	5.6
237.02827	100.0
238.03114	0.9
239.06038	4.3
255.03888	61.7
261.04608	1.7
273.04861	1.4
279.03790	38.4
297.01520	1.6
297.04910	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	21.9
69.48837	5.6
71.95237	1.0
84.95635	0.8
84.96037	9.5
86.97559	1.1
93.30663	0.9
98.97592	68.4
100.56210	0.8
101.00919	3.8
110.97581	8.9
112.99147	4.4
114.26426	0.8
116.98634	10.9
119.01926	4.5
120.89108	0.7
124.99123	19.6
128.98564	3.4
131.00122	2.3
131.01811	1.0
134.99693	1.3
139.00664	1.4
140.98601	10.0
142.99118	1.5
143.00177	23.5
143.01875	3.2
145.03394	1.3
155.00084	1.8
157.03511	0.9
158.99664	21.3
161.01283	5.9
161.02921	4.5
173.02895	1.1
176.99385	1.0
177.00729	8.0
185.02960	0.9
186.00200	0.9
195.01669	0.9
198.02124	1.2
201.00673	1.8
203.03947	1.4
203.24217	0.8
219.01808	12.3
220.03510	1.7
221.05067	4.2
229.30838	0.7
237.02835	100.0
238.03116	1.0
239.06157	4.2
248.47185	0.7
255.03902	59.2
260.04364	1.1
261.04550	1.3
273.04785	1.0
279.03821	42.8
297.04944	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2115
Annotation	Ici 118551
Peak:m/z	Relative Intensity
53.03928	0.3
55.01867	1.1
55.05514	2.4
56.05026	0.4
56.96561	0.4
57.03459	0.3
57.07073	1.7
58.06600	0.6
60.04529	1.1
67.05503	6.0
69.03442	0.5
69.07069	21.1
70.02960	0.5
70.18284	0.3
71.05012	0.4
71.08633	1.2
71.49767	0.5
79.05491	6.7
81.03421	0.5
81.07055	12.2
82.06570	0.5
83.04984	2.6
83.08611	1.0
84.08146	1.8
85.06544	0.6
86.09707	100.0
87.10045	0.5
88.11278	1.1
91.05482	8.2
91.06028	0.6
93.07045	21.5
94.07407	0.5
95.04970	4.6
95.08619	3.8
96.04491	0.7
97.06534	1.0
103.05524	0.4
105.04578	0.3
105.07029	15.9
107.04960	0.8
107.08594	7.6
109.06522	11.4
109.10147	2.3
109.85502	0.3
110.06067	0.5
111.08071	2.0
112.07618	0.5
117.06990	0.7
119.08587	3.8
120.86953	0.3
121.06503	0.9
121.10146	2.0
123.08069	1.3
123.11710	1.3
124.07622	0.4
125.09602	0.5
126.12768	0.4
128.10719	12.3
129.07030	0.6
131.08565	3.9
133.06531	0.9
133.10130	25.5
136.07574	0.4
137.05991	0.8
137.09624	0.4
137.13289	0.5
139.91159	0.4
140.14342	1.1
145.10155	1.0
147.11690	9.4
148.12016	0.4
149.02364	3.3
149.06227	0.4
149.09613	2.3
149.13252	2.5
151.07541	1.2
151.11182	44.3
152.07104	0.4
152.10609	0.5
157.10191	0.5
159.11682	0.5
163.11191	0.6
165.12758	2.5
167.14316	3.9
175.11171	2.9
176.69923	0.3
180.13860	0.3
192.13817	2.6
193.12238	5.5
194.15480	0.8
201.04582	0.8
201.16438	0.5
204.13855	0.5
208.16934	0.6
209.58018	0.4
210.14899	6.2
219.05731	2.8
219.17567	0.3
222.14909	5.1
236.20081	0.4
257.14923	0.5
260.20129	7.1
278.21170	46.1
279.09363	5.1
279.21381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.00295	1.3
53.03934	5.5
55.05516	17.4
57.07069	3.3
67.05505	31.0
68.39871	1.4
69.07073	15.4
69.35561	3.2
69.35962	9.3
71.05006	2.3
77.03908	2.0
79.05497	76.4
81.07061	31.6
83.08635	7.8
85.06531	2.1
91.05483	25.8
93.07048	100.0
95.04966	5.6
95.08617	27.5
97.10168	3.4
105.07035	16.9
107.07887	2.9
107.08596	50.1
109.06518	2.5
109.10168	10.3
117.07034	2.6
119.08632	8.7
121.09342	2.5
121.10152	42.3
122.70164	1.4
123.11701	2.7
125.05965	1.3
131.08569	4.4
133.10130	13.5
135.08051	2.0
135.11700	46.9
140.29063	1.6
145.10120	4.3
147.11708	6.8
149.13268	21.2
159.11684	4.6
161.13258	4.7
163.14847	6.8
171.11711	2.5
175.14941	2.2
177.12671	1.5
189.12741	1.5
195.13873	1.8
200.15648	1.3
203.14337	2.0
209.15443	1.7
213.16447	1.7
221.15314	3.4
235.16925	4.2
241.19576	2.0
259.20584	3.7
277.21649	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03938	4.7
55.01854	1.7
55.05520	16.9
57.07057	4.4
62.27322	1.2
65.03929	1.6
67.05509	38.6
69.07072	15.1
69.41982	7.6
69.42395	3.0
71.04987	1.6
77.03903	2.1
79.05499	78.5
81.06599	2.2
81.07062	43.0
83.05011	1.4
83.08612	7.5
85.06528	2.0
89.88390	1.2
91.05492	27.4
93.07050	100.0
93.55988	1.3
95.04994	5.9
95.08612	29.7
97.06540	2.4
97.10153	5.1
105.04508	3.2
105.07043	15.6
107.08601	53.9
109.06459	1.4
109.10159	14.7
111.08083	1.8
117.07065	2.7
119.08592	10.7
121.10151	42.6
123.08099	1.7
123.11726	3.0
127.07606	1.6
129.07002	2.0
131.08589	4.3
133.10135	12.4
135.11696	53.3
143.08549	2.1
145.10101	2.5
147.11688	10.0
149.09621	1.4
149.13274	25.0
157.10124	1.6
159.11726	3.9
161.13252	3.7
163.11275	1.5
163.14859	7.1
171.11668	3.7
173.13307	2.4
175.14867	2.5
177.12857	1.8
178.41293	1.2
185.13304	1.9
189.12787	1.5
199.14900	1.4
203.14424	2.1
207.13866	1.9
213.16353	2.0
217.15860	1.5
221.15344	2.7
231.17287	1.8
235.16942	4.6
259.20648	4.6
276.58374	1.6
277.21646	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03939	4.2
55.01866	3.7
55.05275	1.5
55.05518	19.1
57.03429	3.8
57.07061	5.4
65.03936	2.1
66.24615	1.5
67.05510	44.8
69.03432	1.9
69.07076	17.3
70.85441	3.4
71.04984	4.9
71.08627	14.3
77.04298	1.3
79.05499	50.6
81.03407	4.3
81.07062	44.6
83.04977	3.3
83.08614	11.4
85.06537	4.1
91.04923	1.6
91.05489	30.8
93.07050	74.2
94.00667	1.3
95.04958	8.7
95.08614	30.4
97.06536	4.8
97.10164	3.2
99.08096	14.5
105.04500	2.2
105.06334	1.6
105.07039	22.9
107.04942	3.5
107.08600	38.3
109.06538	4.3
109.10163	17.6
111.08070	2.3
112.41581	1.2
117.07024	6.0
119.08589	17.0
121.06494	3.1
121.10149	23.0
123.08048	3.5
123.11703	4.2
125.09638	1.9
129.07019	4.8
131.08580	7.2
133.10152	14.8
135.07993	1.8
135.11708	22.8
137.09637	3.1
137.13292	1.9
141.12781	3.6
142.07770	1.5
143.08580	3.8
145.10153	9.4
147.11697	13.4
149.02367	6.3
149.09644	2.6
149.13268	15.9
151.11214	7.0
157.10092	3.0
159.11691	6.8
161.09669	4.1
161.13275	11.8
163.11189	15.8
163.14879	7.4
165.12830	3.2
167.10774	1.6
169.12234	2.3
171.11670	8.1
173.13284	3.9
175.07527	1.8
175.11218	2.3
175.14844	5.5
177.12802	2.8
179.10756	1.4
179.14337	4.3
181.12225	1.7
185.13271	5.0
187.03940	1.6
187.14874	2.3
189.12778	3.6
189.16380	1.4
193.08548	1.4
193.12219	2.4
199.14833	3.1
203.14360	1.7
207.11768	3.1
207.13780	2.0
213.16431	2.0
215.17967	1.3
217.15904	2.5
217.19504	2.6
220.12433	1.4
221.15343	5.8
231.17479	2.8
231.21155	3.9
235.13065	2.5
235.17000	4.2
241.19537	8.7
247.14824	1.5
259.02399	2.7
259.20590	15.6
277.03494	5.0
277.19193	4.8
277.21689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1071
Annotation	Lactucin
Peak:m/z	Relative Intensity
53.72903	4.5
55.05512	9.3
56.06347	4.3
57.03439	10.0
67.05502	7.6
69.03431	14.7
71.05000	6.0
71.49070	8.9
76.13729	4.4
81.07095	6.7
85.02910	23.1
91.05489	14.2
92.98405	4.6
94.29861	4.5
95.04959	5.5
99.04462	14.2
103.05474	20.8
104.36417	5.1
105.07055	5.3
107.04960	5.2
109.92487	4.6
111.04427	21.5
115.05473	32.3
117.07038	33.8
119.04959	4.8
128.06276	34.3
129.06992	30.5
131.04909	47.1
133.06514	8.1
137.06020	30.3
139.05412	10.4
143.04945	22.3
143.08548	21.2
144.05736	11.4
145.06509	46.3
146.03607	9.8
147.04417	14.8
147.08064	8.6
149.06009	17.2
151.07549	51.7
153.07025	20.6
155.04865	9.0
155.06076	4.8
157.06529	41.5
159.04402	9.1
159.07953	8.9
160.05228	28.2
161.05988	59.9
163.07541	39.7
167.04945	11.7
167.07118	8.2
167.08646	5.7
171.04381	9.1
171.08067	37.6
173.05984	20.7
174.06769	31.0
175.07555	100.0
176.04689	10.1
177.05510	36.0
177.09142	17.2
179.07047	11.6
179.47989	5.1
181.06523	17.5
183.04393	8.3
184.05215	9.9
185.05998	23.3
187.03918	4.9
187.07529	31.8
188.08264	7.9
189.05467	15.4
189.09131	48.2
190.06271	7.9
191.07037	40.5
193.08568	5.5
195.08000	6.6
196.84360	4.8
198.06802	13.3
199.07567	57.9
200.04651	6.2
201.05505	11.6
201.09183	8.1
202.06166	6.4
203.07034	52.5
203.10730	28.5
205.05063	6.0
205.08633	26.2
213.09085	37.2
215.07109	36.0
217.08571	54.8
219.06601	11.1
226.06288	5.5
227.06953	5.7
229.08577	6.5
231.02939	6.9
231.10204	61.9
233.08093	54.1
234.06721	5.4
235.09647	19.8
241.08617	19.9
259.09711	45.3
277.03528	18.0
277.08780	8.1
277.10916	53.9
277.19952	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	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90147	4.2
70.29446	9.5
70.29765	5.7
72.03684	3.9
82.99832	9.9
97.02874	5.1
101.00908	62.2
102.36117	4.4
113.00899	9.8
119.01925	59.2
127.02443	10.1
131.01923	12.1
137.00829	5.8
139.02411	7.1
143.01920	65.9
144.11726	4.4
145.03468	18.1
155.01878	24.6
157.03482	21.5
161.02966	100.0
167.01897	8.7
173.02965	24.0
185.02974	25.0
187.04578	12.1
190.84869	4.7
197.02966	10.1
199.65630	5.1
203.03986	7.7
203.30208	4.9
205.05544	5.6
245.05162	50.2
277.03253	27.2
277.07724	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0347
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
51.60948	0.3
55.05530	0.4
57.07084	0.7
69.03448	1.6
71.49391	0.3
81.07061	0.4
85.02923	0.4
91.05498	2.2
91.37953	0.3
95.04998	0.3
101.08170	0.3
103.05484	2.8
107.05016	0.3
115.05550	0.3
119.04971	1.7
119.94316	0.3
123.04447	0.5
129.03391	1.3
131.04932	2.2
132.95914	0.7
133.02806	0.3
138.60484	0.3
141.03401	0.3
144.34418	0.3
145.06468	0.4
145.31592	0.3
146.06001	0.4
147.04413	3.0
149.02368	0.7
151.03926	0.3
157.02878	4.5
158.97452	0.8
159.04469	0.6
169.19807	0.3
173.02377	0.6
175.03938	4.8
182.06084	0.9
185.02379	4.9
187.03938	8.6
199.07637	0.3
203.03418	8.5
213.01854	7.9
215.03398	6.5
216.97952	0.4
230.02141	0.7
231.02907	34.3
234.99089	1.5
235.16972	0.6
241.01344	5.5
259.02417	47.0
260.02939	0.8
260.09247	0.7
274.43057	0.3
277.03458	100.0
278.03787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	4.1
61.75806	0.9
69.68140	5.8
71.95258	1.2
86.72258	1.1
96.60551	0.9
98.97590	100.0
101.00865	4.7
102.00966	1.1
103.11064	0.9
113.00865	1.1
116.98630	29.7
119.01912	6.0
120.01952	1.3
121.01635	1.4
133.02866	1.0
134.99643	4.4
142.03467	3.6
143.01883	2.4
143.03691	1.2
144.03119	1.1
160.99760	0.9
161.02943	4.3
163.03908	4.2
166.93196	0.9
177.00961	4.0
179.00764	1.3
192.94960	1.1
210.95912	1.4
219.02011	1.0
234.96013	2.1
238.95512	1.3
240.95383	3.4
240.98665	5.3
241.98677	2.8
242.48643	1.3
242.98766	1.3
245.05231	1.4
250.99300	12.3
251.49380	8.0
251.99312	1.3
256.96616	3.3
257.96716	1.6
258.96579	4.4
258.99765	53.2
261.00320	1.0
261.03012	6.0
262.03174	2.6
262.49982	3.2
263.00211	2.0
263.02576	4.7
276.97238	5.7
277.00830	52.1
277.07718	2.9
278.01089	1.4
284.00143	1.7
284.99796	3.7
294.97931	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2735
Annotation	Kaurane
Peak:m/z	Relative Intensity
55.05273	1.6
55.05512	15.8
57.07082	10.0
67.05508	28.8
67.33960	1.2
68.53727	1.0
69.07070	29.4
70.45685	3.2
71.08617	3.5
79.05492	10.0
81.07060	100.0
83.08161	1.3
83.08618	13.7
85.10181	1.0
88.07615	1.2
88.91317	0.9
91.05490	4.8
93.07048	15.8
95.04983	1.6
95.08613	85.0
97.10175	10.7
105.07022	5.5
107.08601	19.5
109.10161	53.6
111.11723	7.7
117.07006	1.5
119.08561	3.6
121.10138	11.9
123.11710	28.0
131.08615	1.5
131.20219	1.0
133.10146	1.8
133.83487	1.0
135.11693	11.5
137.13284	11.3
143.25514	1.0
145.10152	1.0
147.11678	2.6
149.13266	12.3
151.14821	5.6
153.11876	0.9
155.55443	1.0
163.14859	6.3
165.16473	1.2
165.56322	0.8
177.16396	2.2
179.17934	1.0
191.17851	0.9
205.19505	2.4
219.21233	1.6
229.19565	1.9
245.13142	1.2
275.17575	1.2
275.20398	5.8
275.27414	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	2.2
55.01879	4.1
55.05273	0.8
55.05516	13.6
56.87360	0.7
57.03422	1.9
57.07070	1.6
59.04996	0.8
65.03932	1.1
67.05510	21.0
67.52274	0.7
69.03416	0.9
69.07068	11.1
69.77292	3.2
71.04979	2.7
73.55132	0.8
77.03900	0.6
79.05079	1.3
79.05500	18.8
81.03400	2.3
81.07064	25.3
83.04972	3.0
83.08633	5.5
85.06525	2.3
90.98125	0.7
91.05489	37.8
93.07049	20.6
95.04990	3.8
95.08615	13.9
95.99539	0.6
97.06535	4.0
97.10167	1.8
99.08070	0.8
100.71169	0.7
103.05450	2.1
105.07040	54.2
106.07396	0.8
107.04954	5.6
107.08601	18.0
109.06528	5.2
109.10166	7.3
111.08086	1.8
115.05443	1.6
117.07032	9.6
119.04976	0.7
119.08591	31.7
121.06504	4.1
121.10146	10.5
123.08073	2.8
123.11717	2.1
125.09625	1.9
128.06180	0.8
129.07013	2.4
130.07765	1.3
131.04970	1.4
131.08571	15.8
133.06499	1.3
133.10139	35.6
135.08084	3.9
135.11639	4.9
137.09622	2.5
139.11162	1.2
141.06996	1.0
143.08562	2.7
145.10135	14.6
146.10890	1.0
147.04420	1.4
147.08015	1.5
147.11702	22.5
149.09621	8.1
149.13258	2.5
151.11217	3.1
155.08583	2.3
157.10150	4.1
159.08099	1.5
159.11707	10.0
161.09612	2.1
161.13271	6.6
162.35631	0.6
163.11189	4.5
163.14780	0.9
165.12787	1.3
168.97697	0.6
169.10094	3.1
171.11739	3.4
173.09634	1.5
173.13313	5.2
175.11192	2.6
175.14777	1.6
177.12726	1.8
183.11671	2.2
185.13191	0.8
187.11203	1.9
187.14842	1.9
189.12769	1.7
191.14268	1.2
193.12296	1.3
197.13240	2.4
199.14854	1.1
201.12720	2.1
205.12315	1.1
211.14882	0.8
211.55618	0.8
213.16324	0.8
215.14316	1.7
215.18040	2.1
217.15977	1.2
219.13887	0.9
229.15842	1.0
229.19464	4.8
233.15373	0.9
239.17935	5.9
247.16960	0.7
247.20566	2.8
257.19043	12.8
275.20090	100.0
276.20416	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03926	2.9
55.01864	5.0
55.05514	26.5
57.03443	1.5
57.07065	1.2
59.05007	1.3
65.03951	1.5
67.05511	37.5
69.07073	10.6
69.45996	8.9
71.04987	3.0
79.05499	46.1
81.07068	23.4
83.04969	2.3
83.08646	6.0
88.70977	1.2
91.05487	40.4
93.07047	26.3
95.04958	3.9
95.08065	1.6
95.08623	12.4
97.06520	2.6
97.10143	6.2
103.05460	1.9
104.56071	1.4
105.07038	49.7
107.04962	26.1
107.08603	32.4
107.30497	1.1
109.10156	19.0
111.08079	2.5
117.07024	13.5
119.08585	32.5
121.06514	2.3
121.10159	12.7
123.11716	3.9
125.09648	6.4
129.06969	1.8
131.08568	15.4
133.10133	35.1
135.08075	5.5
135.11737	3.2
145.10124	13.2
147.11703	24.3
149.09630	52.4
155.08592	1.8
155.10677	3.7
157.10124	2.7
159.11728	8.5
161.09669	1.4
161.13234	6.6
162.63478	1.3
163.11154	2.0
169.10229	1.7
169.12202	2.8
171.11659	2.5
173.11761	3.0
173.13281	5.6
175.14796	1.1
183.11703	3.5
187.11282	1.7
197.13213	1.8
215.17957	2.4
229.19548	9.1
233.15422	1.4
239.18021	3.8
247.20531	2.3
257.19055	19.1
275.20081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.41763	0.6
53.03942	1.4
55.01864	2.6
55.05516	12.5
57.03445	1.0
65.03935	1.4
67.05508	15.6
69.03424	1.1
69.06741	0.9
69.07073	9.6
69.75139	3.6
71.04977	1.3
77.03960	0.6
78.05508	0.7
79.05497	18.5
81.03407	0.8
81.07063	19.1
83.04996	1.8
83.08611	4.6
85.06535	0.9
91.05487	37.8
93.06501	0.9
93.07052	16.8
95.04963	2.4
95.08619	12.4
97.06538	2.3
97.10162	1.8
99.08044	0.8
103.05482	2.1
105.07037	52.4
107.04958	3.1
107.08600	12.1
109.06503	2.5
109.10168	5.8
111.08058	0.8
115.05487	0.9
117.07021	7.2
119.08590	31.7
120.32237	0.6
121.06477	2.2
121.10160	7.2
123.08073	1.6
123.11711	1.1
128.06230	1.4
129.06966	3.5
130.07776	0.8
131.08565	14.6
133.06529	1.5
133.10139	32.2
135.08060	3.0
135.11710	4.4
137.09615	1.8
141.06979	0.9
143.08562	2.8
145.10124	14.6
147.07990	1.0
147.11693	22.4
149.09604	5.3
149.13284	1.0
151.11230	1.1
154.98788	0.7
155.08476	1.4
157.10135	2.3
159.11702	10.9
161.09685	1.0
161.13248	7.0
163.11163	4.6
165.09131	1.4
169.10149	2.4
171.11723	2.0
173.09619	1.1
173.13274	6.0
175.11195	1.5
177.12695	1.3
181.12215	1.0
183.11739	2.0
185.13254	1.7
187.11281	1.7
187.14796	1.6
197.13333	1.1
201.12663	1.1
201.16353	1.2
209.48882	0.8
213.16512	0.9
215.14400	0.9
215.17938	1.2
219.11644	0.8
219.13797	1.3
229.19563	3.5
233.15350	1.3
239.17986	3.2
245.56659	0.8
247.20609	1.9
257.19000	8.6
275.20084	100.0
275.27899	2.2
276.20316	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05503	5.4
57.07062	2.0
67.05497	7.4
69.07081	8.5
70.72361	3.8
71.05011	2.0
79.05486	8.1
81.07065	8.7
83.08613	3.6
87.04469	4.2
91.05482	13.4
93.07046	19.5
95.04952	2.3
95.08067	1.9
95.08614	19.1
105.07034	23.2
107.08595	26.8
109.10178	8.8
111.08070	4.2
113.09604	1.4
117.07028	5.4
119.08594	25.0
121.10149	68.7
123.08073	7.5
123.11704	2.2
128.06126	1.9
129.06998	4.3
131.08589	7.8
131.41342	1.4
133.10127	16.9
135.08093	2.3
135.11732	6.5
137.09631	7.3
141.06978	3.9
142.07784	6.5
143.08546	12.4
144.09335	2.7
145.10133	33.1
146.10854	5.4
147.10510	3.0
147.11693	60.8
149.09634	7.2
155.08522	5.1
156.09346	5.0
157.10149	31.0
158.10870	2.4
159.11697	11.3
161.13226	6.9
163.11143	2.6
165.12755	1.7
167.08578	2.5
168.09355	4.4
169.10139	8.7
170.10913	3.7
171.11684	14.2
173.13295	6.0
175.14775	1.6
181.10129	4.9
182.10872	2.6
183.11685	18.6
184.12517	2.2
185.13245	15.5
186.14035	2.5
187.14859	7.3
189.12740	2.0
189.16405	17.9
195.11710	6.0
196.12456	5.6
197.13303	17.4
198.13966	2.0
199.14827	48.7
201.12817	2.9
201.16388	1.7
209.13260	9.9
210.14096	8.8
211.14807	4.2
213.16396	18.3
214.17168	13.2
215.14500	2.0
215.18008	16.9
217.15924	3.4
224.15717	8.4
229.15883	2.7
229.19521	8.9
231.17451	1.8
239.17958	57.2
240.18411	1.9
257.19025	100.0
258.19385	2.7
275.20081	92.7
275.27789	10.0
276.15958	2.0
276.20416	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03940	0.9
55.01868	0.2
55.05500	0.3
56.67712	0.2
67.05505	0.5
69.03439	0.4
69.07047	0.2
69.14130	0.3
69.78989	1.0
69.79407	0.4
75.04462	0.4
77.03934	0.4
79.05490	1.3
81.03421	0.9
81.07050	0.4
85.02922	0.4
91.05479	0.9
93.07061	0.4
95.04971	0.8
95.08607	0.6
97.02870	0.3
98.21493	0.5
103.05453	0.4
105.07039	0.8
107.04959	100.0
108.05293	0.6
109.02847	0.3
119.04960	0.2
119.08595	0.5
121.06510	0.6
123.04487	0.4
123.31020	0.2
127.03921	2.2
131.04935	1.0
131.08646	0.4
133.10127	0.5
135.11626	0.3
139.03931	0.3
145.10088	0.3
147.11696	0.3
149.06009	0.6
149.09642	0.3
150.15598	0.2
151.03923	2.0
159.11800	0.3
169.04968	10.3
171.11737	0.2
173.13377	0.3
257.83145	0.3
275.09140	2.5
275.17090	0.2
275.20151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1279
Annotation	Aspergione E
Peak:m/z	Relative Intensity
55.05510	1.5
57.03426	1.3
63.59598	1.2
69.03434	100.0
69.07065	1.4
70.28668	2.9
71.04962	2.1
79.05492	3.0
79.74173	1.1
81.03425	1.7
83.04985	2.3
85.02918	1.6
91.05466	4.9
94.53004	1.2
94.82963	1.2
95.04985	14.2
95.08603	1.2
97.06493	1.3
99.04471	2.9
103.05476	3.0
105.07033	6.3
109.02959	1.2
109.06487	1.6
111.04466	1.7
112.42677	1.1
115.05477	5.8
117.07028	5.9
119.04937	2.4
122.03642	1.5
123.04429	2.4
128.06229	6.0
129.06995	6.5
131.04930	5.4
131.08539	3.3
133.06499	9.4
137.05977	17.8
138.06738	1.7
141.07030	8.2
143.04947	4.4
143.08565	5.6
144.05713	1.9
145.06499	13.5
145.10168	2.1
149.06027	1.9
151.07562	17.9
153.06960	3.8
154.07761	4.5
155.08554	4.9
157.06496	7.6
157.10138	1.4
158.07248	3.3
159.04408	1.6
159.08083	7.7
160.05188	4.4
161.05959	7.3
161.09637	1.3
162.06729	2.1
163.07561	4.5
165.05518	14.9
165.06911	2.7
165.09116	2.4
166.09875	2.4
168.05823	1.6
169.06488	4.1
169.10136	11.5
170.07253	1.7
171.08063	5.3
172.05222	1.7
173.06059	2.7
173.09618	2.4
174.06758	4.7
175.07571	16.7
176.08348	2.3
177.05478	1.9
177.09140	8.0
179.08589	7.4
181.06462	4.4
182.07262	4.6
183.08047	9.3
185.06006	3.0
185.09625	2.1
187.07564	13.6
187.11150	3.6
188.08360	5.4
189.05499	3.8
189.09123	17.7
190.06258	1.9
191.07050	2.2
191.10689	2.2
192.54340	1.3
193.08606	31.7
195.07893	2.4
196.08849	3.9
197.06020	2.2
197.09610	16.7
199.07498	7.1
199.11383	1.2
200.08356	2.1
201.05411	1.9
201.09088	10.8
203.07021	1.7
203.10707	10.1
204.07858	1.7
205.08719	2.8
205.12224	2.8
207.08052	2.3
210.06676	1.3
213.05496	1.2
213.09146	4.0
214.09908	3.1
215.07045	5.2
215.10672	13.2
216.07880	2.2
217.08565	10.2
219.10236	4.0
224.08452	3.0
225.09096	11.8
227.07010	2.4
228.07800	1.9
229.08737	8.3
229.12256	20.2
231.10139	10.2
233.07979	2.0
233.11766	5.0
239.10681	10.0
242.09419	3.0
243.10052	1.9
247.09723	3.5
247.13284	5.1
257.11755	18.7
275.09662	2.8
275.12799	49.9
275.19949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0913
Annotation	Fomajorin S
Peak:m/z	Relative Intensity
53.16081	2.2
55.01855	9.2
57.03432	2.3
57.07068	2.3
58.56606	2.0
68.99780	3.6
69.03404	3.1
71.49332	4.8
79.05503	3.0
83.04969	3.0
85.78608	2.5
91.05494	8.1
93.07055	2.4
95.04942	2.9
103.05467	3.6
103.96645	2.2
107.04930	2.7
115.05480	19.9
116.06229	3.9
117.06998	7.9
118.04154	3.4
121.90369	2.1
123.04432	2.5
128.06165	6.3
129.03369	5.6
129.07002	11.0
131.04926	8.1
131.05864	2.2
131.08527	6.5
131.42375	2.8
132.05728	6.3
133.06476	3.3
140.06148	2.8
141.06996	48.5
143.04926	12.0
144.05690	9.1
144.98138	2.8
145.06503	8.9
146.03601	7.4
147.04404	3.1
152.06212	2.3
153.06953	2.8
155.04865	7.2
155.08560	4.1
157.02840	9.7
157.06517	14.9
158.07249	12.9
159.04430	4.5
159.08029	8.6
160.05173	11.6
161.05948	18.9
163.03923	4.8
167.03363	2.9
168.05690	10.8
169.06477	45.0
170.03560	2.5
170.07191	3.0
171.04448	17.2
171.08072	3.3
172.05276	5.5
173.05992	9.1
175.07523	8.6
176.04695	2.4
177.05440	8.1
183.04369	3.2
183.07980	8.1
185.05984	9.7
186.06802	26.1
187.03856	2.6
187.07552	21.1
188.04607	4.0
189.05492	27.1
190.06221	5.2
191.03406	11.1
191.07063	16.6
196.05222	6.0
197.05975	42.4
198.06747	3.8
199.03915	9.6
199.07518	3.4
200.04695	9.4
201.05478	7.7
201.09090	11.7
203.07048	15.3
203.11887	3.2
204.07799	7.0
205.04956	2.8
205.08582	3.6
210.96844	8.0
211.07564	7.9
212.04686	2.5
213.05396	6.4
214.06265	17.0
215.03561	4.4
215.07027	42.9
217.04942	5.6
219.03090	2.9
225.05493	5.0
226.06288	7.0
228.97984	3.7
229.04909	9.0
229.08586	28.7
231.06496	24.5
232.07295	7.6
233.04431	3.5
233.98566	3.8
239.07240	2.3
242.05711	12.5
243.06538	27.8
245.04428	10.4
245.07994	2.4
247.02396	5.8
247.09644	37.2
257.04376	7.1
257.08047	28.4
257.12753	5.4
260.06805	51.3
273.39252	2.4
275.01788	8.4
275.05475	11.2
275.09119	100.0
275.13763	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	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
50.58452	1.7
55.05517	12.0
57.07090	9.2
67.05508	23.4
68.54453	1.8
68.99790	2.1
69.07073	33.0
70.07409	2.1
71.08620	3.6
71.50496	2.3
79.05491	12.9
81.06606	3.7
81.07062	64.4
83.08626	15.4
84.11339	2.0
91.05498	12.0
93.07057	30.4
95.08617	59.7
97.10165	7.5
105.07034	22.1
106.61664	1.8
107.08602	41.8
109.10169	46.6
111.11712	4.0
114.12708	1.8
119.08600	27.4
121.10149	40.5
123.11713	32.0
129.01837	1.9
131.08559	3.7
133.10129	17.2
135.11687	23.2
135.12624	2.7
137.13271	9.8
138.68626	1.8
145.10086	3.9
147.11682	19.7
149.13271	42.0
151.14818	5.4
159.11708	2.3
161.13268	24.9
163.14844	28.5
165.16484	2.4
175.14856	11.0
177.16402	18.6
189.16379	20.1
191.17943	11.1
203.17963	18.2
217.19519	30.0
231.21111	4.6
255.21060	3.7
273.18527	9.1
273.22821	5.9
273.25787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10867	2.7
54.22082	2.8
54.49781	3.4
55.21308	4.2
56.96305	6.8
56.96569	98.1
57.03421	3.5
58.99870	4.5
62.40186	3.1
63.94483	3.1
67.05498	3.9
69.03429	6.4
70.43542	11.8
70.98127	72.8
70.99889	4.7
71.95269	5.5
72.08178	4.4
73.02932	3.7
75.55264	3.6
80.68365	3.4
81.03415	4.3
82.99849	8.7
84.96028	4.8
85.01385	6.6
85.02909	10.4
88.99156	17.2
97.01409	4.5
97.02910	3.6
98.97588	100.0
101.00884	64.2
103.00698	4.3
110.97565	29.7
113.00877	15.7
116.98606	33.0
117.03980	3.6
119.01923	73.2
121.12224	3.6
124.95541	3.9
125.07121	13.5
127.02419	21.7
128.98608	34.5
131.01852	17.8
133.03499	3.8
134.99687	4.6
135.13359	3.0
137.02959	6.6
142.43956	3.5
143.00200	4.1
143.01910	18.7
144.37891	4.1
145.03464	41.3
146.99686	22.7
153.01837	9.0
153.03970	4.1
154.96539	25.6
155.01920	18.9
156.98100	34.7
157.03499	15.0
159.05052	14.2
161.02963	13.7
165.00763	4.1
167.01891	4.9
169.03481	62.7
171.05023	9.7
172.97581	77.9
173.02983	19.2
174.99159	83.0
175.00696	5.8
179.01897	4.0
185.02917	28.9
187.02930	7.2
187.04517	54.2
189.02510	7.0
190.98613	53.3
193.00206	41.2
197.02974	18.8
200.97119	11.1
203.02319	4.6
203.03966	17.1
205.00191	13.5
208.99704	4.0
213.02484	8.8
214.98695	12.3
215.04022	16.9
218.98195	24.9
221.03087	4.3
221.05087	11.9
229.01942	7.0
229.05589	29.3
231.03508	5.5
232.96313	3.6
232.99600	47.5
233.01532	7.6
247.02980	5.7
247.06619	11.3
251.00725	15.6
252.03592	6.6
256.96503	16.5
257.05057	4.6
265.05969	3.9
270.04526	4.5
274.97656	33.4
275.01855	6.4
275.06104	85.3
275.10870	31.7
276.06296	4.0
292.98575	13.3
293.03815	18.2
293.07037	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	275.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09364	0.6
53.03933	0.7
55.05493	0.7
57.02425	0.6
65.03930	1.7
67.05501	2.7
69.03408	0.8
70.01045	3.2
70.01396	0.7
82.99844	6.7
83.04984	1.4
85.01415	0.8
93.03391	2.1
95.04960	3.4
97.02882	1.6
98.97582	0.7
101.00888	43.4
109.01407	2.6
111.04435	1.0
119.01929	48.9
121.02880	5.1
125.04483	0.9
127.01486	1.5
127.02424	25.2
129.03996	1.6
131.01952	1.5
133.03419	0.8
137.02026	0.9
137.02953	4.2
139.02390	2.6
139.03912	0.8
141.03999	1.0
143.01903	4.3
143.05531	1.0
145.03471	37.1
147.01376	0.7
147.04926	0.8
151.02371	3.7
153.03955	4.1
155.01848	1.1
157.03484	9.6
159.05026	0.9
161.02954	4.5
163.04524	1.0
167.01932	4.4
169.03471	67.3
170.03737	0.8
171.01402	1.8
171.05049	9.2
175.04546	1.7
179.01894	2.7
183.05045	1.1
184.81792	0.7
185.02977	25.9
185.04643	1.4
185.06544	1.9
187.04529	60.9
188.04631	1.5
189.02458	1.5
189.06157	0.8
193.03476	1.4
195.05040	6.3
197.02953	13.9
203.02081	1.7
203.04033	3.5
205.05659	3.8
210.06139	1.0
211.04570	6.0
213.02449	2.0
213.06110	3.1
215.04021	13.0
221.03036	3.7
221.04849	0.9
229.05588	45.4
230.05780	0.8
231.03485	2.9
231.07045	0.8
234.31886	0.8
239.04053	2.7
247.06656	18.0
249.04582	1.1
257.05029	4.5
275.06131	100.0
276.06396	1.3
293.07193	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	273.2577
Annotation	beta-Springene
Peak:m/z	Relative Intensity
53.79278	2.3
55.05516	16.9
57.07063	9.3
67.05514	23.3
69.07072	43.9
69.56442	13.5
71.08627	3.7
79.05502	14.5
81.07059	71.0
83.08605	14.0
86.47068	2.1
88.95367	2.4
91.05479	16.8
93.07050	33.5
95.08611	75.9
97.10179	9.0
98.21501	4.3
105.07033	29.7
107.08597	57.9
109.10159	60.4
111.11730	5.6
115.90825	1.9
119.08577	23.2
121.10149	43.4
123.11711	41.5
131.08568	2.3
133.10153	23.4
135.11722	31.5
137.13214	13.0
145.10129	4.2
146.27249	2.2
147.11687	20.3
149.13266	44.3
151.14812	8.7
159.11705	3.6
161.13260	31.1
163.14822	28.1
165.16341	3.2
175.14828	13.9
177.16403	15.2
185.13229	3.7
189.16360	19.8
191.17914	11.9
201.16313	3.1
203.17969	17.8
213.16676	2.5
217.19514	24.8
250.40555	2.5
273.18903	2.8
273.22772	4.0
273.25778	100.0
274.27170	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.73421	2.0
55.05503	6.3
56.96564	2.6
57.07067	2.4
59.05014	1.7
67.05495	8.1
69.03423	2.2
69.07064	7.6
69.28385	3.5
69.28793	11.3
71.04984	4.2
79.05479	8.0
81.07041	10.6
83.05003	3.9
83.08617	4.9
85.06541	5.5
87.68913	2.1
91.05476	10.6
93.07018	10.6
95.04966	24.1
95.08613	11.1
97.06538	3.6
98.20769	3.6
99.08095	3.3
105.07042	20.3
106.46663	1.7
107.04998	2.1
107.08577	13.5
109.02833	2.5
109.06528	27.2
109.10159	10.9
111.08064	5.7
113.05949	2.4
115.05441	2.2
117.07018	8.1
119.08589	29.8
121.06538	3.1
121.10126	11.0
121.60801	1.7
123.08073	21.7
123.11717	4.5
128.06236	4.5
129.06993	7.3
130.07764	3.9
131.08568	22.1
133.06573	2.2
133.10144	14.0
135.08060	7.1
135.11726	4.0
137.09599	6.9
141.06998	2.5
142.07771	3.3
143.08551	13.6
144.09357	3.5
145.10129	46.5
147.04460	3.5
147.08075	7.2
147.11694	19.2
149.09676	5.5
151.07590	3.8
151.11188	2.9
153.01808	5.3
153.07001	2.6
155.08553	4.6
156.09363	8.9
157.10130	23.2
158.10936	3.9
159.08072	4.2
159.11690	14.5
161.09636	6.8
161.13260	4.5
161.35483	2.2
163.11194	4.8
166.07646	2.4
169.10144	5.1
170.10913	3.8
171.11694	26.0
172.12492	2.7
173.09546	10.1
173.13257	26.6
175.11218	13.5
177.12706	2.5
182.10916	5.4
183.11726	5.2
185.13217	11.4
187.11162	16.4
187.14807	10.2
189.12778	19.3
195.11696	3.0
196.12527	3.0
197.13292	15.1
198.13998	2.1
199.11217	11.3
201.12782	3.0
201.16443	5.7
203.14381	4.3
203.18088	2.3
207.11809	2.4
211.14847	7.3
212.15648	2.7
213.12750	5.5
213.16379	16.2
215.14339	36.9
217.12263	8.1
222.14064	1.9
227.17966	8.1
229.15858	4.3
231.13898	2.8
231.17441	17.0
237.16466	4.5
240.15115	2.7
245.19067	2.9
255.17450	27.9
273.07538	4.3
273.18515	100.0
273.25833	6.1
293.96527	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04673	0.3
55.01864	0.3
65.03966	0.3
67.01868	3.9
68.99796	2.2
69.03432	1.7
69.32964	1.4
69.33392	1.3
72.64139	0.3
75.60323	0.3
81.03425	0.7
81.07041	0.5
83.01350	0.7
83.08634	0.4
91.05491	6.9
95.04982	2.1
95.05502	0.3
95.08595	0.3
97.02902	1.3
107.04967	2.3
109.10114	0.4
111.00768	0.5
117.12395	0.3
118.02731	0.3
119.04951	13.2
119.08537	0.3
121.02868	0.6
121.06561	2.2
123.04433	5.1
125.02406	0.6
129.01834	0.5
131.08527	0.4
134.03625	0.5
137.06003	0.5
142.07614	0.3
143.08568	0.4
145.06491	0.5
145.10156	0.7
147.04420	35.8
149.06001	2.7
151.03874	0.6
151.07570	1.3
152.06201	1.2
153.01839	100.0
153.06956	3.9
154.02217	0.6
157.10179	0.4
161.05934	0.6
163.03957	0.3
169.06606	0.4
171.02904	8.3
179.03589	0.7
181.06503	5.3
189.05496	0.8
195.07951	0.7
198.06750	0.9
209.05986	1.5
213.09111	3.3
227.07014	0.4
231.06555	0.7
241.08655	2.9
253.59331	0.3
255.06520	1.0
267.65567	0.3
273.07593	57.4
274.07852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.076
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.38507	0.2
52.00085	0.2
55.01886	0.2
55.40174	0.2
65.03941	0.8
67.01868	2.2
68.99794	2.3
69.03436	1.3
69.07054	0.2
71.05748	0.4
71.06080	0.3
79.05519	0.3
81.03404	0.2
83.01341	0.6
83.82949	0.3
90.23888	0.3
91.05490	7.6
95.04983	2.1
97.02916	0.9
107.04963	2.3
111.00800	0.6
119.04955	17.8
121.02893	0.6
121.06512	0.8
123.04446	4.2
129.01926	0.3
147.04424	41.7
151.03885	0.5
153.01845	100.0
154.02190	0.8
157.06532	0.3
171.02890	1.7
179.03462	0.7
181.06465	0.7
189.05507	0.9
213.09206	0.4
225.21149	0.3
230.69136	0.2
231.06512	0.5
239.90514	0.2
241.08670	0.3
255.06601	0.8
273.07596	65.6
274.08051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
55.01887	0.6
55.05511	1.1
57.07069	0.5
63.92177	0.5
65.03931	0.9
67.01868	2.7
67.05499	1.6
68.99803	1.4
69.03424	1.7
69.07072	1.3
70.82670	1.4
79.05497	1.6
79.14539	0.5
81.03425	0.9
81.07049	2.0
83.04980	0.5
91.05484	10.7
93.07037	2.3
95.04980	2.7
95.08598	1.6
97.02894	1.3
100.53796	0.6
103.05458	1.0
105.04511	0.7
105.07032	3.9
107.04937	2.7
107.08618	2.0
109.02892	0.7
109.06509	2.3
109.10168	0.9
111.08125	0.5
117.07047	1.1
119.04949	16.0
119.08570	3.1
121.02840	0.6
121.06471	0.9
121.10144	1.7
123.04459	4.4
123.08089	0.5
123.11710	0.6
125.85062	0.6
129.06985	1.3
131.08563	2.3
133.06453	0.8
133.10153	1.7
135.08067	0.8
135.11694	0.8
141.07014	0.9
143.08594	2.4
145.06490	0.8
145.10159	3.7
147.04416	44.1
147.08055	0.9
147.11696	1.0
149.06004	0.8
149.09650	0.9
151.03912	1.1
151.07597	0.7
153.01837	100.0
153.07014	2.0
153.42459	0.4
154.02153	0.7
154.07767	0.6
155.08554	1.4
156.09380	1.0
157.10132	2.9
159.08022	1.0
159.11681	1.0
161.09653	0.9
161.13216	0.6
163.11249	1.2
167.08528	0.7
169.10127	1.8
171.02943	1.9
171.11694	3.0
173.09610	2.2
173.13274	1.2
175.07591	0.5
175.11259	1.2
179.03410	1.0
181.06509	2.2
181.10155	1.0
182.10970	1.6
183.11749	0.7
185.13312	1.0
189.05453	1.3
189.12791	1.5
195.11748	1.1
197.13274	3.8
199.11214	1.4
199.14783	0.5
211.14813	1.7
212.15573	1.1
213.09166	1.1
213.16437	2.8
215.14255	0.8
227.14276	1.0
227.18025	0.7
229.15979	1.0
231.06573	0.6
237.16513	0.9
240.15067	0.7
241.08607	1.7
255.06523	0.7
255.17451	5.4
273.07584	83.7
273.18503	12.2
273.25949	0.7
274.07959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.076
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01871	1.1
59.96143	0.4
65.03935	0.8
67.01872	2.8
68.99794	2.3
69.03436	1.8
70.55490	0.9
70.55865	0.6
71.52122	0.4
81.03418	0.7
83.01334	0.6
83.04992	0.6
85.02895	0.6
91.05487	6.5
95.04987	5.3
97.02898	1.3
105.07060	0.5
107.04955	1.9
111.00797	0.5
119.04956	17.3
119.05804	0.9
121.06543	0.9
123.04431	4.4
125.02311	0.5
137.05901	0.4
141.07039	0.7
145.06496	0.5
147.04422	44.2
147.41159	0.4
149.06001	1.1
151.03894	1.0
153.01843	100.0
154.02167	1.0
157.06564	0.5
164.08350	0.7
165.02016	0.4
167.08615	0.5
169.06514	0.8
171.02980	2.0
171.08102	0.5
179.03442	0.9
181.06480	0.8
184.43753	0.4
187.07524	0.5
189.05405	1.1
192.07713	0.6
195.07999	0.9
213.09218	0.7
229.08530	0.6
231.06639	0.5
241.08644	0.8
245.11748	0.6
255.06493	0.9
273.07602	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04668	0.4
55.01871	0.4
58.61453	0.4
65.03942	0.5
66.83989	0.3
67.01883	2.7
68.99806	2.2
69.03444	1.7
70.86250	0.6
70.86565	0.6
77.91322	0.4
85.36894	0.3
85.39893	0.4
85.69421	0.3
91.05497	6.9
95.04990	3.1
95.77277	0.4
97.02897	0.6
107.04949	2.1
111.00797	0.7
119.04960	16.8
121.06544	1.0
123.04435	5.3
145.06407	0.4
147.04431	42.2
149.05940	0.7
150.95132	0.4
151.03934	0.9
153.01849	100.0
154.02164	0.8
159.09164	0.5
163.64291	0.3
171.02959	2.2
179.03429	1.1
181.06532	0.9
189.05487	1.1
202.44756	0.4
213.09132	0.8
231.06627	0.5
245.09183	0.6
255.06596	0.5
270.62881	0.4
273.07605	74.2
274.07922	0.8
282.29608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.113
Annotation	Deidaclin
Peak:m/z	Relative Intensity
53.03947	2.2
55.01871	1.2
55.05503	1.8
55.93516	1.0
56.96570	10.3
57.03424	2.9
61.02928	6.0
65.03939	2.8
69.03432	10.4
69.77981	2.2
69.78391	3.2
70.06606	5.1
71.04967	1.4
73.00132	0.9
73.02911	4.0
77.08255	0.8
78.82796	0.8
79.05508	2.3
81.03411	3.9
81.07048	1.3
83.06104	1.8
84.96028	2.4
85.02907	25.6
86.06063	1.8
87.04487	1.8
89.03930	1.2
91.03950	1.5
91.05505	1.1
92.05006	7.0
93.03402	2.0
95.04973	1.5
95.06070	2.2
96.48911	0.9
97.02901	10.9
98.03219	1.1
98.97591	10.3
99.04465	1.0
103.03943	4.3
106.06554	14.7
107.04987	1.7
108.04475	1.0
109.02880	2.2
109.05282	7.9
110.01235	0.8
110.06047	100.0
110.07154	11.8
110.97559	2.3
111.04449	1.4
112.99158	1.5
116.07158	0.9
116.48068	0.8
116.98646	4.3
117.03383	1.6
120.04482	4.0
121.02850	0.9
122.06033	12.7
124.03969	11.0
124.99102	2.8
127.03910	5.5
128.98611	2.4
131.04999	1.1
132.61748	0.8
134.05008	1.7
134.06023	30.5
134.07019	1.9
134.99730	1.1
135.04425	2.3
136.07558	1.2
141.34752	0.9
143.00172	3.4
145.02896	1.0
145.04950	2.9
146.06001	5.4
147.04517	1.1
148.07631	1.9
152.07071	11.3
153.01884	1.6
156.07706	1.8
156.18591	0.9
158.99644	3.0
161.01276	3.3
163.03882	8.1
164.07112	2.2
170.97525	1.0
170.99670	1.9
175.06274	1.2
176.07056	5.9
177.00800	2.0
177.56158	0.9
182.03371	1.1
191.04059	1.7
191.05634	2.0
200.07077	1.6
201.00714	1.7
208.14447	1.2
213.05763	0.9
218.08200	1.2
219.01767	3.2
226.15652	2.2
236.09229	3.8
237.02798	2.2
248.99181	2.3
249.02809	1.7
254.10251	8.9
254.15010	2.3
255.01637	1.7
261.02744	1.9
267.00220	1.4
267.03879	1.7
272.05914	3.0
272.08109	1.0
272.11273	3.7
272.16000	9.1
279.04028	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03951	1.2
53.24378	1.1
55.05519	9.4
55.53991	1.0
56.93536	1.0
57.07066	3.8
61.65751	0.9
61.88735	1.0
62.17160	0.9
65.74068	1.0
67.05502	13.5
69.07069	19.5
69.48846	1.1
69.92453	5.2
76.59365	0.9
79.05497	6.8
81.07055	29.8
83.08612	7.6
83.52430	1.0
91.05476	8.1
93.06503	1.3
93.07050	17.5
95.08611	30.4
97.10161	4.6
99.08076	1.6
105.07033	21.2
107.08593	22.3
109.10155	22.1
117.07020	4.9
119.08580	28.2
121.10148	17.4
123.11707	15.0
128.06207	1.4
129.06961	1.4
131.08557	10.5
132.56963	0.9
133.10139	16.6
135.11688	14.3
137.13277	2.7
142.07780	2.8
143.08566	7.9
144.09323	1.9
144.20001	1.2
145.10130	18.8
147.11688	24.1
149.13251	10.4
155.08562	2.2
156.09216	1.4
156.77991	1.1
157.10114	7.8
159.11697	20.6
160.66341	1.0
161.13246	16.6
163.14848	7.7
169.10110	2.5
170.10716	1.0
171.11690	6.0
173.13266	11.2
175.14822	13.7
177.16400	3.0
183.11751	5.0
184.12480	1.6
185.13290	2.2
187.14801	11.4
189.16393	14.6
197.13213	2.3
199.14819	14.4
201.12666	1.2
201.16414	15.3
203.17970	1.8
211.14684	1.4
213.16444	2.8
215.17952	17.6
225.16280	2.3
229.19548	3.9
233.80174	1.1
243.68837	1.0
253.19510	6.2
270.30093	1.1
271.17471	2.0
271.20688	11.5
271.24200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85851	0.9
53.03938	1.3
55.05514	6.6
56.65449	0.9
56.96562	1.9
57.03435	1.0
57.07078	2.5
67.05145	0.9
67.05510	15.8
68.99808	0.9
69.03443	1.4
69.06749	1.0
69.07079	13.1
71.08636	0.9
71.49538	1.2
79.05510	9.2
81.03418	0.9
81.07065	30.2
82.07368	0.9
83.08640	6.3
85.06562	1.1
91.05487	9.6
91.39729	0.9
93.06488	1.6
93.07049	20.0
93.49163	0.9
95.08617	29.6
97.10175	3.1
99.08112	5.2
105.07043	19.9
107.08606	22.6
109.10169	26.4
117.06989	3.3
119.08590	21.0
121.09338	1.7
121.10158	19.0
123.11717	12.9
129.06979	1.7
131.08545	7.5
133.10152	16.9
135.08037	1.0
135.11694	9.4
136.00035	0.9
137.13274	2.0
141.06990	2.5
142.07773	2.0
143.08569	2.9
145.10118	13.1
147.11720	12.4
149.13271	13.8
151.11156	1.4
153.06996	1.2
155.08568	2.4
155.14746	0.9
156.09396	1.2
157.10178	6.3
158.10890	1.9
159.08076	3.4
159.11693	19.2
161.13271	16.7
163.14832	11.8
165.07016	2.1
168.09369	2.2
169.10132	3.4
170.10893	2.0
171.11682	5.0
173.13277	11.6
175.14839	12.4
177.16406	2.8
181.06548	1.0
183.11723	6.7
184.12587	1.0
185.09645	1.4
185.13284	2.6
187.14832	8.9
189.16368	5.1
197.13271	4.3
199.14830	11.8
201.16377	13.7
203.18001	1.8
209.16344	0.9
211.14900	1.9
213.16380	2.3
215.14366	1.1
215.17963	15.7
225.16525	1.8
229.19504	2.5
243.21083	1.6
250.14078	1.3
253.19644	3.5
271.06079	6.0
271.09726	3.4
271.17014	3.7
271.20673	12.4
271.24210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05515	7.5
56.96564	1.2
56.97972	0.7
57.03425	1.1
57.07066	2.9
65.03922	1.1
67.05511	15.9
69.07076	11.8
69.27001	0.7
71.04975	1.0
71.08643	1.3
71.49210	0.7
77.20553	0.6
79.05499	7.3
81.07062	32.2
83.08637	5.7
91.05478	9.8
93.07053	19.3
95.05005	0.9
95.08613	29.9
97.06441	0.8
97.10165	2.1
99.08087	2.6
103.59528	0.8
105.07040	22.6
107.08604	24.3
109.10164	28.1
111.11730	1.3
115.05413	0.9
117.06983	4.5
119.08592	24.9
121.10152	22.8
123.08048	0.9
123.11721	11.2
129.06996	2.6
130.07806	0.9
131.08582	9.1
133.10139	14.7
135.08028	0.9
135.11707	8.9
137.13252	1.6
142.07768	2.0
143.08601	3.6
144.09419	1.1
145.09068	1.3
145.10143	15.8
147.11696	16.1
149.13272	15.0
155.08574	2.0
156.67241	0.8
157.10172	4.6
158.05948	0.9
158.10855	1.3
159.08054	1.9
159.09233	1.1
159.11705	17.6
160.12442	0.9
161.09657	1.0
161.13277	18.7
162.89055	0.9
163.11031	0.9
163.14845	12.2
165.07068	1.3
168.08093	2.6
168.09416	1.0
169.08846	1.2
169.10158	2.5
171.11674	3.5
172.02330	0.7
173.09526	1.0
173.13284	11.0
175.11285	0.8
175.14844	14.1
177.16382	3.7
183.10431	3.4
183.11723	2.5
185.13280	2.7
187.14836	8.6
189.16425	6.6
190.66121	0.8
195.11858	0.9
198.12759	4.3
199.08614	1.3
199.14755	5.1
200.15363	0.9
201.16388	14.6
203.17960	1.6
211.07637	1.8
211.09747	1.1
211.14825	1.5
213.10262	2.0
213.16490	0.9
215.12050	1.2
215.15846	1.6
215.17969	17.8
225.16331	1.4
226.12277	12.6
227.08130	2.0
227.11803	5.8
227.17952	0.9
228.12607	2.4
229.19502	4.2
239.06912	1.2
240.07727	1.1
243.14975	7.8
243.17285	1.7
243.21051	3.3
253.19550	2.3
254.11790	1.0
255.11330	3.5
256.11938	3.6
271.06027	3.0
271.09668	3.0
271.14499	18.2
271.17075	4.6
271.20721	8.0
271.24210	100.0
272.24591	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Amoenumin
Peak:m/z	Relative Intensity
53.03941	1.9
53.53087	0.6
55.01890	4.1
55.05513	0.7
63.30014	0.6
65.03947	1.0
67.05504	0.9
68.99799	6.1
69.03432	2.0
72.23392	0.6
76.21015	0.7
79.05520	1.1
81.03436	1.4
81.07075	2.8
83.04985	1.1
89.03944	1.0
91.05496	10.9
93.07130	0.7
95.04972	2.4
98.09697	0.9
99.08096	0.7
103.05505	1.5
105.07071	0.9
107.04952	3.6
109.02908	1.0
111.04440	0.8
115.05466	3.5
117.03333	0.7
118.04181	1.3
119.04961	8.7
121.02843	1.1
121.06544	3.4
122.03625	0.7
122.38074	0.6
123.04450	2.0
124.05211	1.0
128.06227	1.2
129.07027	3.2
130.17448	0.6
131.04912	1.5
133.06520	0.7
134.03619	1.3
135.04419	2.3
137.06003	7.2
139.05412	0.7
140.06224	1.1
141.07004	8.0
143.04935	1.1
145.06529	1.4
146.03641	2.1
147.04425	6.5
149.05969	3.0
150.06795	1.0
151.03917	1.4
152.06239	6.0
153.07011	21.1
154.07796	3.6
155.04959	2.7
155.08559	15.9
157.06509	3.7
159.04419	1.4
161.06001	4.6
165.07024	72.4
166.07590	1.2
167.08571	1.6
168.05730	10.1
169.06490	7.2
170.07243	1.4
171.04460	0.9
171.08060	1.5
172.08891	0.7
173.06021	6.4
174.06847	0.8
178.07811	0.7
179.04936	0.7
179.08572	2.3
180.05701	1.1
181.06505	16.0
182.07289	11.3
183.04495	4.6
183.08073	30.1
184.08394	0.6
185.04410	0.9
185.06015	6.0
187.03972	1.7
187.07623	0.9
193.06427	18.3
194.07283	1.5
195.08116	1.7
196.05190	6.6
197.05984	8.3
197.09641	2.0
198.06735	2.1
198.14983	2.2
199.03848	0.6
199.07693	2.9
200.08391	3.0
201.05482	6.0
203.07074	2.8
207.04465	2.5
207.08081	1.5
209.06026	2.7
210.06805	10.4
211.07564	41.1
212.08347	2.9
213.05447	3.6
213.09074	1.3
215.07047	1.6
215.10710	1.2
221.05995	23.8
222.06633	0.8
224.04607	0.8
224.08392	0.7
225.05544	2.4
225.09137	11.0
226.06157	0.8
226.14450	1.6
227.07118	2.0
228.07848	3.5
229.05000	8.3
235.07521	1.2
238.06284	4.1
239.07068	18.4
240.07809	2.5
241.04958	1.2
242.09364	3.1
243.06683	1.7
243.10161	4.9
253.05003	1.9
253.08600	14.7
255.06560	0.9
256.07303	5.0
271.02496	4.2
271.06113	26.2
271.09686	100.0
272.10068	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90804	0.7
53.03939	1.3
55.01864	3.3
55.05508	2.0
56.96567	39.1
57.03434	7.3
57.07078	1.0
59.44540	0.8
61.02930	7.1
66.52267	0.8
68.98278	1.1
69.03432	11.5
69.83938	3.2
70.06587	1.3
70.98125	2.2
71.01358	0.9
71.04990	2.6
71.95261	3.7
72.96046	2.0
73.02918	5.8
73.04755	1.1
81.03410	4.0
81.04533	1.3
82.99819	2.1
83.05000	1.2
83.51476	1.0
84.96050	4.3
85.01406	1.1
85.02906	14.4
86.09709	4.2
86.99368	1.2
87.04473	3.2
92.05017	8.5
93.05804	1.4
94.06554	1.7
97.01385	2.1
97.02897	10.0
98.01476	1.8
98.97589	100.0
99.04459	4.0
101.00878	15.5
101.02531	1.1
102.00976	3.5
103.00620	1.3
103.02473	1.7
105.00303	1.0
109.02883	2.7
110.01332	0.9
110.06042	14.6
110.07178	1.9
110.97572	5.2
111.02909	1.0
112.99142	3.7
113.00871	4.9
113.02263	0.8
115.00665	1.3
115.02440	7.0
115.03957	1.4
116.02551	4.0
116.07074	0.8
116.98629	35.3
117.02071	1.2
117.04018	1.1
119.01923	17.8
119.04950	0.8
120.01991	4.9
124.95505	1.5
124.99135	2.2
126.02356	0.9
127.00657	1.8
127.02416	2.6
127.03928	5.2
127.04867	1.0
128.02342	1.7
128.98634	4.7
129.03955	2.1
130.04156	1.8
130.93288	1.9
131.00166	2.3
131.01910	7.9
133.03456	10.5
134.01273	0.9
134.03604	3.0
134.99677	9.8
137.02887	2.6
138.05487	4.8
139.02426	1.1
139.04131	1.0
139.05841	5.8
139.99982	0.9
140.02299	1.5
140.03879	1.8
140.98566	1.6
142.05411	1.3
142.96518	2.9
143.00163	3.8
143.01880	6.5
145.01669	2.1
145.03474	7.9
145.04958	2.4
146.03479	1.0
146.99631	2.3
147.01436	1.2
147.03183	1.8
147.05055	1.1
148.05054	1.6
149.02951	1.7
152.07072	1.1
153.00670	1.5
153.01903	2.4
153.05762	2.6
155.00049	1.3
155.01892	3.5
156.98079	1.4
157.01669	1.0
157.03467	3.8
158.04964	1.4
158.99649	2.9
159.01433	1.0
159.03195	1.2
159.04990	2.9
160.06433	3.5
161.01247	3.7
161.02945	8.8
161.06630	1.9
163.03903	2.4
164.04808	1.0
167.01822	1.2
167.05728	1.5
167.55673	1.3
168.03630	3.9
168.06433	1.0
169.05406	0.9
169.99973	1.5
170.05020	1.6
170.96074	1.2
170.99670	3.2
171.01408	4.5
171.03288	2.6
171.05020	2.1
172.94304	4.2
173.01320	1.4
173.02956	3.8
174.03035	1.2
174.04414	1.2
174.97731	1.4
174.99165	3.9
175.00871	1.4
175.04523	2.4
177.00815	1.6
177.02699	1.0
177.04082	4.9
179.04039	1.3
181.07024	0.8
182.03343	2.3
182.99728	1.0
183.01524	1.1
183.05148	1.3
185.01370	0.8
185.02922	4.6
185.06491	1.0
187.00829	1.5
187.04517	2.2
188.01111	3.3
188.06003	2.5
188.97092	1.8
189.00749	1.8
189.02615	1.7
189.04347	7.7
189.05988	1.8
190.95427	3.7
191.02361	1.1
191.03923	4.6
193.00150	3.1
193.03595	1.1
193.05559	1.2
194.09315	2.2
196.02451	0.9
199.04547	5.6
200.04378	1.6
201.00677	2.5
201.02443	3.2
202.98804	1.2
203.02432	1.5
203.03931	4.3
206.07027	8.0
206.98119	1.5
207.01653	1.0
207.05363	2.3
211.00897	2.5
211.04608	1.0
215.00395	1.6
215.03993	1.3
216.00635	3.1
216.96924	2.1
216.98691	1.8
219.01794	2.3
220.99821	1.5
221.01639	5.4
221.05093	3.3
223.04675	1.4
224.08064	6.2
227.04019	3.0
229.01929	3.3
229.05504	1.3
230.07004	30.1
231.05299	1.6
234.99780	1.5
237.02789	2.7
241.05475	2.4
243.03561	1.3
247.03043	2.7
248.03516	2.2
248.08076	36.1
248.99228	2.8
253.01787	1.8
257.01459	3.6
262.04913	1.1
266.09131	1.6
267.00244	1.6
271.02911	3.2
271.06244	5.2
271.14218	1.9
272.06543	1.1
272.11407	4.4
275.02496	3.4
280.06415	1.9
285.89883	0.9
289.04068	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.08150	0.2
53.93721	0.2
54.10516	0.2
55.05503	0.3
57.03420	0.3
59.05485	0.2
65.03959	0.2
66.01443	0.2
67.01878	1.6
67.05495	0.8
68.99796	1.1
69.03410	0.2
69.07053	0.6
70.74184	0.4
70.74529	0.3
79.05479	0.3
81.07063	0.9
83.08618	0.4
91.05489	2.0
93.07038	0.3
95.08617	1.1
97.06538	0.2
99.08035	0.2
105.07042	0.4
107.08611	0.2
109.10155	0.3
111.00839	0.2
119.04130	0.4
119.04951	5.9
119.08605	0.5
121.02869	1.7
121.10093	0.3
125.02399	0.2
129.01816	0.4
129.07010	0.3
131.08575	0.2
133.10114	0.5
141.06979	0.3
143.08588	0.2
145.02859	1.4
145.10085	0.2
147.11742	0.2
153.01837	10.9
153.07031	0.4
153.50017	0.2
157.06493	0.3
157.10204	0.4
159.08060	2.5
161.13269	0.4
163.03926	0.7
163.14838	0.2
165.07025	1.1
169.06526	0.4
171.02895	0.5
173.05943	0.2
173.09488	0.2
181.13579	0.2
183.08022	0.5
185.09650	0.4
185.21902	0.2
187.03973	0.4
196.05208	0.3
197.06012	0.4
210.06702	0.2
211.07571	0.5
225.05478	0.7
226.12311	0.3
228.07689	0.2
229.04982	0.5
243.06612	1.0
247.06018	0.2
253.04774	0.3
253.15950	0.4
256.11917	0.2
271.06024	100.0
271.24200	0.7
272.06326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
53.72018	1.6
55.01857	4.4
55.05522	22.8
55.84307	1.5
57.03443	32.9
57.07064	4.9
63.70951	1.6
64.81635	1.5
67.05510	76.0
67.37095	1.4
69.07074	33.5
69.10214	1.5
71.04992	9.4
71.48949	3.3
73.02946	2.0
74.37373	1.5
75.75175	1.6
79.05500	47.5
81.03431	3.6
81.07063	100.0
83.04984	10.6
83.08622	19.9
85.02901	2.3
85.06538	6.6
91.05489	25.5
93.07050	71.7
95.04974	9.3
95.08618	31.8
97.06551	16.4
97.10195	2.9
99.04472	2.1
99.08083	4.9
101.34216	1.8
103.84537	1.8
105.07040	10.3
107.04967	2.1
107.08595	38.9
109.06504	5.0
109.10163	8.5
111.08102	7.7
111.44085	1.7
117.07038	12.4
119.08582	4.9
121.06521	1.9
121.10159	26.0
121.50363	1.7
123.04430	4.6
123.08130	2.8
129.07027	3.2
131.08586	11.7
133.10130	8.9
135.08046	3.0
135.11723	11.1
137.05943	8.6
139.07614	2.2
145.10152	3.6
147.11700	3.3
149.09633	2.2
149.13278	50.6
151.03914	64.2
153.07027	1.7
157.10132	2.8
159.11714	19.4
171.11688	2.8
177.12766	9.4
181.06499	2.4
183.06532	10.3
193.04979	3.7
195.13872	10.2
197.13177	2.4
211.06017	17.5
225.05582	2.1
227.18301	1.8
237.07631	2.5
241.08583	3.8
269.04446	4.6
269.08133	9.6
269.11700	2.4
269.17438	40.0
269.22623	7.3
282.01184	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	4.0
55.01859	3.2
55.05516	21.3
57.03166	2.0
57.03443	36.6
57.07066	4.8
64.44471	1.1
65.03940	2.8
66.49164	1.3
67.05511	75.0
69.03436	2.7
69.07074	28.3
69.38254	8.8
71.01330	1.3
71.04991	7.1
79.05502	45.0
81.03412	2.5
81.07063	100.0
83.05004	9.1
83.08627	20.1
85.06557	6.7
91.05486	24.0
93.07053	69.1
95.04957	5.3
95.08618	25.5
97.06541	15.6
97.10163	2.6
99.08083	3.8
105.04521	1.6
105.07056	10.1
107.08610	38.0
109.06517	2.6
109.10156	4.8
111.08066	9.8
111.11697	1.2
113.09635	1.6
117.07023	9.6
119.08588	3.3
121.06486	1.5
121.10165	23.4
123.11716	1.5
131.08571	11.1
133.10139	9.9
135.08034	1.6
135.11707	11.2
139.11205	3.0
143.08606	1.9
145.10107	2.6
147.11659	2.6
149.13268	54.9
151.11160	1.5
157.10172	2.1
159.11714	21.8
167.14221	1.3
171.11702	2.3
173.13274	2.1
177.12752	7.9
185.13237	2.4
195.13832	11.5
195.15413	1.9
269.08087	1.9
269.11578	1.1
269.12955	1.3
269.14944	1.9
269.17493	33.1
269.22409	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03947	2.4
55.01856	4.1
55.05518	17.8
57.03440	35.4
57.07061	4.2
65.03917	2.2
67.05510	66.3
69.07071	27.8
71.04991	5.8
71.61900	1.2
73.18504	1.4
79.05496	40.5
80.40424	1.1
81.03406	3.2
81.07060	100.0
83.04987	9.4
83.08627	21.2
85.06564	5.8
91.04999	1.4
91.05488	19.0
93.07052	78.9
95.04958	3.9
95.08620	25.7
97.06026	1.3
97.06541	13.7
97.10136	2.1
99.08076	4.9
105.07024	8.9
107.07891	2.1
107.08598	38.2
109.06503	2.8
109.10130	4.7
111.08079	9.4
112.92891	1.4
117.07027	8.5
119.08571	4.0
121.06477	1.7
121.10155	25.7
123.08087	1.8
123.11755	2.0
125.09589	2.3
131.08557	11.7
133.10135	9.2
135.08038	3.3
135.11731	10.3
139.11067	2.1
147.11684	2.8
149.13268	57.5
157.01369	1.3
157.10130	1.5
159.11702	20.4
177.12764	10.0
195.13832	13.6
269.17438	44.9
269.22391	2.9
274.00861	1.3
290.53156	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03942	5.2
55.01870	3.9
55.05510	22.4
57.03441	39.1
57.07082	11.5
67.05508	79.9
67.61923	1.5
68.99799	10.7
69.07074	35.1
69.18060	1.5
70.07052	4.6
70.07455	2.8
71.04989	6.8
79.05496	45.3
81.03404	4.0
81.07060	100.0
83.04996	9.6
83.08631	19.3
85.06554	6.7
91.05486	26.0
93.07050	70.2
95.04978	4.8
95.08619	27.9
95.57571	1.5
97.06545	16.0
99.08077	3.3
105.07021	7.4
107.08601	37.4
109.06557	2.3
109.10162	5.9
111.00798	18.6
111.08079	11.5
113.09674	2.7
117.07030	7.4
119.08608	3.5
121.10139	24.8
123.11683	1.6
125.09684	1.3
131.08565	7.6
133.10136	10.1
135.07979	2.1
135.11685	8.1
139.00266	34.1
139.11240	3.1
149.13264	50.5
157.01323	25.2
159.11708	18.8
177.12762	12.0
193.66174	1.5
195.13869	12.8
269.17349	36.0
269.22079	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01859	2.8
55.05266	2.3
55.05510	20.8
56.96556	2.9
57.03441	32.2
57.07069	5.8
65.03946	2.4
67.05507	72.8
69.07069	31.9
71.04991	6.0
71.08638	2.3
79.05495	43.9
79.49702	1.3
81.03405	2.9
81.07059	100.0
83.04996	10.5
83.08624	16.8
85.06527	4.0
91.04984	2.2
91.05489	23.4
93.07047	72.7
95.04934	7.8
95.08611	34.0
97.06524	15.7
97.10187	2.1
99.08084	5.8
105.07040	15.6
107.08595	43.8
108.57278	1.5
109.06522	3.1
109.10142	5.3
109.15307	1.5
111.08098	9.1
113.09627	2.7
116.01701	1.2
116.06355	1.2
117.07015	12.5
119.08587	9.4
121.06509	3.2
121.10146	27.2
123.11699	4.6
129.07022	3.7
131.08577	11.4
133.10138	13.7
135.08115	2.1
135.11693	11.4
139.11172	1.9
143.08554	5.8
145.10114	3.9
147.11726	3.8
149.13268	50.0
155.08537	2.7
156.09309	2.1
157.10144	5.3
159.11671	24.2
159.12874	1.9
161.13249	3.4
166.90131	1.6
167.08557	3.1
169.10181	4.6
171.11717	4.5
173.13225	2.8
177.12700	7.9
181.10135	3.4
182.10992	2.0
183.11703	4.4
185.13307	4.1
189.26604	1.4
195.12135	2.0
195.13794	11.2
197.13303	10.0
199.11227	2.1
199.14772	3.8
209.13263	2.2
213.16393	3.6
223.14818	1.8
226.17070	1.7
227.18034	1.9
241.19608	2.0
248.14279	2.0
251.17960	3.6
269.17215	34.1
269.22418	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	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.01230	0.2
54.31158	0.2
55.01876	0.2
56.06065	0.2
57.03437	0.4
58.57529	0.2
59.13112	0.2
69.03426	0.2
69.42937	0.4
69.43341	0.9
73.07729	0.2
85.02903	0.3
87.21448	0.2
94.04054	0.4
105.18963	0.2
119.03563	0.9
122.68690	0.2
133.89247	0.2
136.06186	100.0
137.04494	0.3
268.10413	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	268.9828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70017	3.1
71.48872	5.2
84.13320	2.4
86.27043	2.5
94.93018	3.4
101.08087	2.7
101.97897	3.1
106.75365	2.7
128.80505	3.0
136.94032	4.8
162.95625	5.0
166.02666	3.0
261.81488	3.0
267.68613	3.0
268.98273	100.0
269.02692	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	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01866	0.4
55.11626	0.1
56.10838	0.1
57.03440	0.5
59.05017	0.1
61.02930	0.1
62.65654	0.2
64.38139	0.1
68.77814	0.1
69.03416	0.4
69.79903	0.7
71.01353	0.2
71.53124	0.1
73.02923	0.2
76.81464	0.1
85.02904	0.5
87.04474	0.1
94.04076	0.2
97.02921	0.1
115.03887	0.2
119.03544	0.9
133.04955	0.2
136.06190	100.0
137.04605	0.3
137.06592	0.2
246.93562	0.1
268.10419	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	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03952	4.8
55.01869	2.1
55.05512	7.1
56.29823	0.5
57.03443	21.1
67.05514	12.4
69.03432	2.4
69.07085	2.9
70.62836	0.7
70.63170	1.3
71.05006	1.5
79.05490	12.5
81.03424	100.0
81.07062	12.9
83.04995	5.0
83.08623	13.4
85.02924	0.7
91.05486	16.8
93.07050	8.7
95.04974	19.1
95.08609	4.1
97.02903	2.2
97.06547	0.9
97.10168	1.6
105.03404	4.6
105.07040	12.1
107.04969	4.7
107.08597	3.5
109.06530	2.7
109.10185	1.7
111.04463	1.2
111.08083	6.1
115.05429	1.1
119.08590	10.7
121.06518	1.9
121.10162	4.6
123.08076	1.9
125.09673	0.8
129.07016	8.3
131.08588	7.9
132.69559	0.6
133.06490	2.7
133.10117	4.2
135.08051	0.8
137.09627	1.4
142.07788	2.6
145.10109	0.8
147.08067	2.1
147.11688	7.6
149.09619	3.8
155.08536	0.9
157.10152	8.1
159.11682	0.8
163.11192	1.5
165.12773	2.3
175.11203	8.3
183.11569	0.7
185.13187	0.7
193.12257	18.6
211.13269	2.2
226.53098	0.7
249.14886	1.8
267.15915	41.3
267.20953	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	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.91866	1.1
53.03936	3.7
55.01844	1.6
55.05510	7.8
57.03167	1.0
57.03438	18.6
63.20839	0.8
67.05182	1.2
67.05506	14.1
69.03422	1.8
69.07046	2.7
69.91946	3.4
71.04975	2.8
77.10969	0.9
79.05497	13.1
81.03422	100.0
81.06607	1.0
81.07061	17.2
83.04987	4.9
83.08624	14.1
91.05489	18.1
93.07051	7.9
95.04379	1.4
95.04969	18.9
95.08610	5.8
97.02893	1.8
97.06543	1.9
100.31344	1.0
105.07037	14.5
107.04960	4.6
107.08606	2.8
109.06505	3.4
109.10110	0.9
111.08077	5.8
116.68829	0.9
119.08583	12.9
121.06470	1.7
121.10155	4.6
121.15997	1.1
123.08056	2.1
123.11740	1.3
129.07025	7.4
130.37683	1.0
131.08539	7.8
133.06454	1.4
133.10135	3.8
137.09627	1.7
141.07005	1.1
142.07803	2.2
147.08043	2.7
147.11678	8.6
149.09607	4.4
157.10100	7.5
159.66718	0.9
165.12741	2.3
175.11168	8.0
181.44057	0.9
193.12265	16.2
198.56058	1.0
211.13300	3.6
267.15933	45.2
268.16272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03947	3.3
55.01877	2.6
55.05516	7.0
57.03444	20.9
66.53171	0.7
67.05511	11.7
69.03430	2.2
69.07070	2.5
71.05009	1.4
75.25211	0.8
79.05497	11.6
81.03423	100.0
81.07063	12.9
83.04994	5.1
83.08628	14.2
85.06548	0.9
91.04907	1.1
91.05486	16.4
93.07049	7.3
95.04977	23.2
95.08597	4.9
97.02911	2.1
97.06541	1.8
97.10196	1.6
102.62391	0.7
102.88339	0.7
105.06364	0.5
105.07037	14.0
105.07707	1.3
107.04970	4.5
107.08585	2.7
109.06528	3.3
110.20436	0.7
111.04440	0.9
111.08060	4.3
111.70361	0.7
115.05435	0.9
117.07023	1.0
119.08599	9.3
121.06518	1.7
121.10167	4.4
123.08070	1.4
123.11678	0.9
125.09624	1.2
129.07024	7.5
131.08583	6.8
133.06505	3.0
133.10141	4.3
137.09648	0.9
142.07776	3.3
145.10086	0.7
147.08052	2.4
147.11696	7.5
149.09607	3.7
157.10143	8.0
165.12747	2.1
175.11206	8.0
193.10342	1.3
193.12253	17.4
211.13312	2.1
245.44159	0.7
249.14832	1.1
267.15915	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.51797	1.2
53.03935	3.9
55.05516	7.4
57.03204	1.9
57.03437	20.1
65.03895	1.2
67.05504	13.4
69.03422	3.0
69.07066	2.1
69.59362	6.6
69.59777	2.3
71.04980	2.1
79.05492	10.4
81.03421	100.0
81.07053	14.3
83.04969	5.1
83.08618	17.2
91.05479	15.8
93.07049	9.2
95.04963	19.5
95.08606	6.0
97.02934	1.6
97.10143	2.7
98.21500	2.5
98.98447	4.4
105.07041	13.8
106.34360	1.1
107.04941	4.4
107.08583	4.3
109.06538	2.1
109.10172	1.9
111.04454	1.6
111.08104	7.3
115.05483	1.3
117.06939	1.7
119.08587	11.1
121.06498	1.8
121.10130	4.1
129.07013	7.0
131.08598	9.0
133.06468	2.4
133.10138	4.8
142.07787	3.0
147.08040	3.2
147.11699	7.6
149.09605	4.0
157.10100	10.8
165.12814	1.9
175.11183	7.4
193.12227	17.5
200.10767	1.4
211.13232	3.3
251.58722	1.4
267.15927	47.0
267.20880	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	267.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03719	0.4
53.03949	6.4
55.01865	1.1
57.03427	1.2
61.02917	0.4
65.08631	0.4
67.05513	0.4
69.03435	8.5
71.04992	0.5
71.49107	0.4
72.93825	0.5
73.02927	0.4
77.03938	1.3
79.05501	8.1
81.03424	9.1
81.07060	1.1
85.02914	9.2
91.05480	1.1
95.04984	4.3
95.08612	0.8
97.02903	2.8
99.04472	1.4
105.03400	100.0
105.04546	2.7
105.07030	1.8
106.03702	0.4
107.08633	0.5
109.02892	3.7
115.05450	0.8
118.04202	0.5
119.08614	0.6
123.04434	8.4
127.03948	3.4
131.05005	0.4
133.06512	1.5
133.10181	0.6
135.04408	0.4
145.96262	0.4
146.03641	2.1
149.37766	0.4
161.06009	2.5
163.03954	0.4
177.05482	0.5
178.06273	7.5
179.03395	0.4
191.06993	0.4
193.08591	3.1
207.06528	0.4
222.01584	0.4
249.07568	2.2
249.11470	0.5
267.08682	0.9
267.16104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03955	6.1
55.01869	1.3
57.03436	3.0
57.40827	0.6
65.03931	0.9
67.05482	0.7
69.03426	7.4
69.07071	1.0
71.04980	1.2
71.48817	0.6
71.49223	1.5
72.93775	0.8
77.03928	2.0
79.05499	9.1
81.03417	8.1
81.07053	2.0
83.04988	0.8
85.02909	8.8
90.43994	0.8
91.05484	3.6
93.07044	2.2
95.04984	5.7
95.08607	1.3
97.02905	2.7
97.06560	0.8
99.04485	1.3
101.95484	0.7
103.05478	3.4
105.03398	100.0
105.04534	2.5
105.07036	13.7
106.03694	0.9
107.04967	1.0
107.08588	1.8
109.02874	3.2
109.06532	1.0
115.05470	3.3
117.07030	0.9
118.04152	4.4
119.04943	0.7
123.04440	8.0
127.03910	3.6
131.04929	2.5
132.05673	5.5
133.06512	15.7
135.04443	0.8
137.05989	1.0
143.06053	1.4
146.03638	28.3
152.05634	0.9
160.05205	2.7
161.05983	29.9
163.03908	5.4
163.07614	2.2
169.06958	1.0
177.05504	1.0
178.06264	94.2
179.06900	1.1
187.07632	0.8
190.06252	1.8
191.07037	8.6
192.07784	2.7
193.08620	32.2
209.08078	1.0
247.39992	0.8
249.07639	2.5
249.14996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
52.59015	0.3
53.03946	0.6
55.01884	1.5
55.05514	1.6
57.03431	2.2
57.61227	0.3
66.29351	0.4
67.05509	6.1
68.99798	0.4
69.03433	15.4
69.07066	2.3
69.84747	1.3
71.04978	0.7
75.63445	0.3
79.01858	7.3
79.05497	4.8
81.03418	6.3
81.07061	12.4
83.04993	1.6
83.08627	1.7
85.02917	0.8
85.06535	0.9
91.05492	6.9
91.06038	0.6
93.07055	2.5
94.77078	0.3
95.04974	1.9
95.08630	3.6
97.02897	23.7
97.06548	1.0
99.08121	0.5
103.05491	1.2
105.03397	5.5
105.07043	6.3
107.01327	1.3
107.04977	1.3
107.08605	1.4
108.49176	0.4
109.02894	0.4
109.06530	1.1
111.04498	0.3
111.08082	0.7
115.03941	6.5
119.04956	3.1
119.08589	4.3
121.06544	0.5
121.10154	2.3
121.17272	0.3
123.04439	1.0
123.08101	0.7
123.11725	2.5
125.02342	4.3
129.07039	0.5
131.04932	3.3
131.08592	0.9
131.87193	0.3
133.02863	1.4
133.06512	0.9
133.10129	1.2
135.04427	0.8
137.09695	0.4
139.03911	1.7
143.03410	7.5
147.04419	4.7
147.08012	0.4
147.11693	6.9
149.09654	0.7
151.03911	1.4
153.01843	100.0
153.02927	7.5
154.02203	0.5
157.10165	0.7
159.04443	3.4
163.03920	3.6
165.05508	2.4
165.12779	1.5
167.03354	0.4
175.03894	3.0
175.11208	1.2
177.05489	2.0
179.03387	7.2
181.01343	1.0
191.03419	4.2
192.04002	0.3
193.04985	3.7
193.08623	0.8
193.12253	1.5
195.02853	1.7
203.03410	2.3
205.04987	5.8
207.02893	9.8
209.04482	2.4
219.02910	1.3
221.04478	3.5
223.02376	5.0
231.02846	2.1
237.03944	2.6
249.03935	1.3
267.04993	8.7
267.09793	0.7
267.15924	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	267.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.3
53.03951	5.8
55.01865	0.5
55.05508	0.5
57.03437	1.4
57.86457	0.4
61.02926	0.4
67.05511	0.8
69.03435	6.2
69.70128	0.7
69.70536	1.6
71.04980	0.7
77.03925	1.4
79.05499	7.6
81.03422	5.8
81.07040	0.8
81.16214	0.4
85.02914	8.1
91.05489	0.6
93.07091	0.8
95.04972	5.1
95.08625	1.0
97.02906	2.9
99.04479	1.2
103.05475	0.6
105.03399	100.0
105.04546	2.4
105.07023	2.9
106.21264	0.5
107.04945	0.5
107.08595	0.5
109.02863	2.4
115.05316	0.5
118.04188	0.7
123.04443	8.9
124.03987	0.9
127.03890	2.9
132.05696	0.6
133.06511	1.7
146.03627	2.6
161.06021	3.3
163.03891	0.6
163.07565	0.5
168.06644	0.5
178.06277	10.3
179.08875	0.4
191.07054	0.8
192.07864	0.6
193.08594	3.7
201.90785	0.4
249.07614	1.2
267.08713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22465	0.4
51.45078	0.3
55.05499	0.5
59.04995	0.6
61.02919	1.0
69.03426	0.7
69.43381	2.0
69.43809	1.3
71.05003	2.0
79.05497	0.8
81.07053	3.5
86.14381	0.4
94.04061	1.1
105.03403	1.5
109.02877	0.5
119.03569	2.9
136.06189	100.0
137.04616	0.9
217.94804	0.4
234.13518	19.1
266.16129	46.9
267.16547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
57.03441	0.4
59.04996	0.9
61.02922	1.0
61.23038	0.2
61.68260	0.2
61.70472	0.2
67.05524	0.3
70.06599	0.4
71.05003	2.8
71.48830	0.3
72.08160	3.4
73.08488	0.9
79.05488	0.6
81.03419	0.6
81.07063	3.3
82.15357	0.2
84.04517	0.4
86.09708	1.3
94.04069	0.5
99.08086	0.5
105.03382	0.4
109.02897	0.8
109.09137	0.2
113.09642	0.9
119.03555	1.3
120.08119	0.7
121.02912	0.4
124.07547	0.4
136.06190	100.0
137.04585	1.0
150.07724	0.5
162.07780	1.0
163.03896	0.3
167.09027	0.4
178.05873	0.4
213.39096	0.3
220.09700	0.5
234.13501	1.3
238.10797	0.6
245.60962	0.3
248.09335	0.3
248.13037	0.3
248.15199	1.1
266.13950	0.8
266.16138	19.2
267.14447	0.3
277.16745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone
Peak:m/z	Relative Intensity
53.03944	2.6
54.71496	1.0
55.01869	2.8
55.05508	10.4
57.03202	1.2
57.03440	15.9
57.07060	1.7
63.04023	1.0
63.47664	1.2
65.03937	1.9
67.05507	25.8
69.03423	1.4
69.07070	6.1
69.38870	9.9
71.04987	2.7
75.37450	1.0
79.05490	16.1
81.03407	4.5
81.07058	31.8
83.04977	5.5
83.08630	3.8
85.06521	6.7
88.52122	1.2
91.05473	16.5
93.07048	17.9
95.04974	15.7
95.08605	25.5
97.06526	3.7
98.21470	2.7
99.04477	1.9
105.04490	1.2
105.07038	13.2
107.04956	4.6
107.08588	11.2
109.06520	100.0
109.10162	11.6
111.08079	1.6
115.05462	1.4
117.07009	4.6
119.08587	11.3
121.06508	4.3
121.10149	6.7
122.07169	1.9
123.08067	17.1
123.11665	1.4
129.06993	2.0
131.08554	10.2
131.79639	1.2
133.06438	1.5
133.10124	10.6
135.08084	7.1
135.11688	3.4
137.05983	2.1
137.09628	3.4
141.06972	1.7
143.08557	3.1
144.68008	1.2
145.06461	1.6
145.10106	8.3
147.04378	1.5
147.08040	1.4
147.11694	4.6
149.09618	8.9
151.11130	2.0
153.01823	3.1
155.08578	2.3
157.10150	2.7
159.11710	4.7
161.09570	2.0
161.13258	1.3
163.11147	5.1
163.14844	1.7
165.06918	1.4
165.09203	1.7
169.10132	2.4
171.11658	2.6
173.09654	1.2
173.13214	7.6
175.11143	3.4
177.07823	1.0
179.08661	1.3
181.10178	1.4
183.11678	1.4
185.13228	1.2
187.11176	1.8
187.14902	1.6
191.14307	6.7
193.10187	1.8
194.81808	1.1
195.11763	4.0
201.12772	1.6
201.16418	5.2
205.08502	1.5
205.15871	1.5
207.11693	1.9
209.13275	4.0
211.14864	1.4
219.13872	1.8
219.17455	5.0
220.17792	3.4
221.13229	2.4
223.14957	1.5
229.15819	6.7
235.14835	2.1
247.16960	12.9
250.17221	1.8
260.02847	1.1
265.06165	1.3
265.17682	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
55.01886	4.9
55.05531	9.9
65.03947	6.6
67.05500	19.6
69.03430	17.5
69.07065	7.5
69.29047	37.4
79.05493	12.1
80.16054	4.0
81.03410	23.3
81.07058	12.6
83.04984	58.7
85.06541	6.3
91.05499	16.4
93.07072	23.8
95.04964	17.0
95.08630	12.4
95.43343	4.2
97.02916	6.5
97.06550	4.6
105.07046	20.0
107.08616	37.9
109.02904	11.6
109.06528	13.0
109.10184	14.0
111.04453	42.0
111.08098	15.0
113.06002	25.5
117.07018	12.5
119.08608	19.8
121.02877	39.3
121.06512	34.0
121.10166	7.0
123.08063	15.2
125.06068	5.2
125.09569	4.2
127.66991	3.9
129.07048	5.0
130.07715	4.5
131.08562	17.1
133.06525	5.7
133.10184	11.6
135.04382	4.9
135.08076	80.6
135.11736	6.3
137.09645	10.3
138.10312	3.9
139.03911	5.4
141.07065	4.6
143.08543	7.2
145.06523	16.8
145.10143	17.5
147.04407	7.7
147.08096	5.5
149.05966	8.1
149.09616	12.9
151.07588	5.6
153.09100	22.8
158.10872	6.7
159.08072	9.8
159.11687	13.2
160.08772	6.2
161.09645	11.7
163.03902	4.3
163.07556	52.4
163.11255	7.6
165.07031	5.4
165.09103	10.8
169.10072	5.4
172.08868	10.8
173.09639	12.6
173.13283	17.0
177.12717	6.6
183.11655	6.5
186.10428	8.5
187.11220	38.2
191.07010	24.8
194.07356	9.6
201.12804	38.8
204.35609	4.9
205.06544	5.7
205.12294	14.2
209.08067	10.4
219.13829	24.6
222.06718	9.3
229.12247	31.5
235.07614	6.6
237.09117	12.3
247.13332	100.0
250.06294	11.5
265.08850	55.3
265.11935	8.8
265.14563	26.3
265.17728	7.4
276.34882	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	265.1436
Annotation	Heliannuol F
Peak:m/z	Relative Intensity
53.03938	5.4
55.01867	4.3
55.05503	7.2
57.03415	2.4
57.07083	9.6
59.05001	3.9
65.03932	4.8
67.05510	10.7
67.63766	1.6
68.99785	3.6
69.03429	12.1
69.07066	5.8
71.04976	2.6
71.49242	3.2
79.05498	14.4
81.02940	1.7
81.03421	31.1
81.07055	11.1
83.04990	14.1
83.08624	3.9
85.02927	8.9
86.54778	1.5
90.06091	1.4
91.05491	20.2
93.03390	2.9
93.07058	17.5
95.04971	10.5
95.08620	10.6
97.02895	3.1
97.06531	9.4
99.04465	2.3
103.05484	1.6
105.07022	13.2
107.04975	4.0
107.08599	34.1
109.02877	10.6
109.06517	22.6
109.10143	5.9
111.04446	8.0
111.08089	11.7
113.02340	3.3
113.05995	2.3
115.05445	6.0
117.07011	16.9
119.04933	3.2
119.08585	28.0
121.02877	42.1
121.06514	28.7
121.10142	11.1
122.07156	2.0
123.04420	4.5
123.08076	4.9
123.11711	1.9
125.09645	7.4
129.07021	3.1
131.08560	9.9
133.06505	2.6
133.10126	8.7
135.04420	4.9
135.07013	2.5
135.08058	49.1
135.11687	10.8
137.05966	2.9
137.09616	3.1
139.03946	10.0
139.07570	1.8
143.08603	3.9
144.09262	2.1
145.06490	15.7
145.10126	7.4
147.04414	8.3
147.08047	8.0
147.11714	2.9
149.05942	6.7
149.09624	5.4
149.13228	1.7
151.07578	17.3
153.09093	10.5
157.10143	3.3
158.10835	2.5
159.08167	4.1
159.11731	11.2
161.05959	2.2
161.09616	6.9
161.13231	2.7
161.72084	1.5
163.03920	4.1
163.07552	47.2
163.11203	5.1
165.07005	5.2
165.09161	2.9
166.07838	2.5
167.03319	2.9
167.07050	2.2
172.08849	2.9
173.06003	7.1
173.09520	2.2
173.13293	10.3
175.07564	1.9
177.05400	1.6
177.09119	1.8
177.12741	10.8
178.07803	3.0
179.08597	8.8
181.08617	27.1
181.10121	2.0
183.11703	2.0
185.13231	2.4
186.10356	2.8
187.07489	1.9
187.11211	13.5
189.06995	2.1
189.09244	2.2
190.06203	2.2
190.07808	2.9
191.07013	9.3
191.08575	7.1
193.06577	1.6
193.08546	2.8
193.10233	2.2
194.07315	9.0
195.11646	2.3
201.12822	9.9
201.16370	1.9
203.08647	3.3
205.06467	7.2
205.08453	3.9
205.10359	2.6
205.12273	15.1
207.08054	7.6
207.10036	3.7
209.08076	40.7
209.09940	2.9
217.06474	2.0
217.08571	5.9
218.07268	3.6
219.08064	12.3
219.13811	6.6
221.06024	3.8
221.09694	2.9
222.06735	9.1
229.12234	8.0
233.06064	2.7
233.09698	2.7
234.10446	18.6
235.07578	27.2
236.08347	3.8
237.09186	6.1
247.13277	14.4
249.09044	2.4
250.06140	4.4
250.09921	25.6
258.16159	1.7
265.06793	11.6
265.08661	18.3
265.12122	25.8
265.14392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
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
53.03931	4.9
55.01868	8.3
55.05500	13.6
55.46663	3.5
65.03927	12.4
67.05507	41.7
69.03440	38.2
69.07074	4.9
70.93797	6.3
71.04977	6.4
71.24742	3.3
79.05503	23.6
81.03403	7.1
81.07053	17.7
83.04979	7.0
91.05486	55.0
93.03404	8.6
93.07040	38.5
95.04961	42.3
95.08604	22.9
97.06525	10.4
103.05450	4.1
105.06330	3.6
105.07035	64.8
107.04930	4.3
107.08615	21.7
109.02860	5.2
109.06540	24.2
109.10149	8.9
111.04439	33.8
111.08076	12.8
113.05982	16.7
115.05441	7.3
116.06242	7.5
117.07064	18.7
119.04906	7.7
119.08588	100.0
121.02892	19.7
121.06524	47.6
121.10130	16.3
122.07199	3.7
123.08086	27.7
128.06229	8.8
129.06998	17.9
130.07806	8.5
131.08583	48.1
133.06491	12.3
133.10165	18.8
135.08064	88.0
137.09621	18.9
139.03906	12.4
139.07518	6.4
141.07024	11.9
142.07761	16.8
143.08557	16.2
144.05669	3.9
144.09401	6.4
145.06482	10.1
145.10121	34.1
146.07253	7.5
147.04413	13.7
147.08047	44.9
147.11697	18.8
149.05974	6.7
149.09587	12.9
151.07460	6.5
153.06990	8.7
153.09053	6.6
155.08543	13.1
156.09320	9.1
157.06453	4.2
157.10159	21.0
158.07289	21.3
159.08080	35.0
159.11697	46.6
160.08823	6.1
161.09612	43.6
161.13246	6.0
163.07518	4.1
165.09119	37.5
168.09460	7.1
170.71660	4.1
171.08031	10.5
171.11685	10.0
172.08868	24.6
173.09648	20.2
173.13234	21.3
175.07553	71.5
175.11168	44.5
183.11667	8.4
185.09624	9.2
186.10388	8.7
187.07527	4.5
187.11198	37.6
189.09064	10.0
189.12881	16.6
193.08575	26.1
193.10078	4.3
196.08815	7.5
199.11214	15.8
201.12772	29.8
203.10667	46.1
205.12337	8.3
207.10133	4.5
211.11188	16.5
217.12231	31.2
219.13914	7.9
229.12210	27.9
235.13332	6.1
247.13326	51.2
265.07162	5.1
265.14352	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	Scytalol D
Peak:m/z	Relative Intensity
55.01862	7.2
55.07587	2.8
67.05508	3.3
71.01806	4.4
71.02135	3.9
71.02994	2.7
76.89962	2.9
79.05484	11.5
81.03425	14.0
81.07051	6.5
83.04965	3.2
91.05468	12.8
93.07050	5.8
95.08607	3.8
103.05493	5.9
105.07050	10.4
107.04978	23.8
107.08595	8.8
115.05461	35.2
116.06210	7.0
117.07023	44.2
119.08579	6.8
128.06232	11.1
129.07031	19.7
130.04071	3.7
130.25455	3.1
131.04974	3.1
131.08589	23.4
133.06497	8.8
141.06920	14.8
143.04927	8.1
144.05722	24.1
145.06502	62.6
146.74321	3.0
147.04448	6.6
147.08066	10.0
155.04921	8.5
155.06071	14.3
156.05681	15.9
157.06499	15.2
158.07310	8.3
159.08104	32.5
159.11661	4.0
161.05998	16.4
167.07047	45.9
169.06488	7.1
169.07686	4.4
172.05212	10.5
173.05995	78.9
173.37070	2.9
175.07602	17.6
177.05623	3.3
177.07166	3.2
186.06714	4.5
187.07556	46.9
187.14771	3.0
189.05490	3.6
190.06276	37.0
191.07076	9.2
192.07800	4.7
193.08632	11.6
203.07040	19.5
205.08615	100.0
207.10268	3.8
215.07024	12.0
217.08597	36.7
218.09369	15.7
219.10173	30.2
222.06927	3.7
229.08646	6.1
233.08228	4.9
234.08917	3.4
235.09650	9.9
247.09680	53.9
247.16962	6.3
250.06204	5.1
265.08463	13.3
265.10910	27.2
265.19904	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1072
Annotation	Scytalol D
Peak:m/z	Relative Intensity
55.01869	10.0
55.05506	4.1
67.05512	4.0
69.38621	6.2
69.39030	11.7
79.05503	11.8
81.03425	12.6
81.07043	4.3
83.04974	5.0
91.05483	18.7
93.07071	5.3
95.08587	5.5
98.21605	2.8
102.04656	2.2
103.05466	9.1
105.07031	12.5
105.88853	2.2
107.04958	22.6
107.08562	4.3
115.05461	40.7
116.06255	6.3
117.06244	3.4
117.07022	44.4
119.08602	4.3
121.06405	2.2
121.10168	4.6
124.05237	2.5
127.05414	4.4
128.06198	6.7
129.07002	17.3
130.04146	3.9
130.07784	3.4
131.04910	6.3
131.08578	17.8
132.05696	3.4
133.06496	7.1
133.10078	3.6
135.08122	3.6
141.06995	15.6
143.04927	9.4
144.05731	28.4
145.06496	77.2
147.04378	6.8
147.08023	7.7
155.04884	5.2
155.06006	18.2
156.05701	16.0
157.06505	14.5
158.07237	6.3
159.08083	32.8
160.05103	4.9
161.06024	18.5
167.03349	3.1
167.07060	46.2
169.06508	5.6
171.04453	2.5
172.05176	8.2
173.05995	98.8
175.03944	2.9
175.07532	13.0
178.06256	3.5
181.04977	3.2
185.05878	2.6
186.06705	3.9
187.07550	38.3
190.06255	45.0
191.07014	8.5
192.07890	6.9
193.08665	11.5
194.07333	2.8
202.06223	3.1
203.07022	26.2
204.07742	2.4
205.06862	3.4
205.08612	100.0
207.10202	5.3
215.07089	12.1
217.08627	47.3
218.09410	19.7
219.10167	30.1
222.06737	3.6
229.08553	2.8
233.08057	5.1
235.09744	6.8
237.09055	3.7
237.11232	3.4
247.09685	48.9
247.16907	5.3
250.06271	4.2
265.08453	15.3
265.10785	24.1
265.18030	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	265.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84343	5.6
55.01863	13.3
55.05499	4.8
63.00607	4.7
65.03940	5.3
67.05511	32.9
69.07088	5.6
70.04715	14.1
70.05123	10.5
71.04967	6.2
79.05480	14.4
81.03410	13.9
81.07054	37.1
83.06561	4.5
85.02895	5.8
89.03883	4.7
91.05479	20.3
93.07046	12.2
95.08608	37.0
95.16611	4.8
103.05499	5.6
105.07030	20.2
107.04968	20.4
107.08591	11.4
109.10150	19.8
115.05476	25.7
116.06245	11.3
117.07001	37.9
119.03231	4.4
119.08607	7.5
121.10149	6.7
123.11700	13.6
128.06226	11.0
129.06995	20.3
131.04909	9.0
131.08562	21.3
133.06471	8.4
133.10135	5.5
140.06232	5.4
141.07008	15.4
144.05733	28.6
145.06503	75.1
146.07184	4.9
147.04398	6.4
147.08058	10.4
147.11620	6.0
147.48187	5.5
149.13293	5.9
155.06073	16.5
156.05646	11.2
157.06491	17.2
158.07162	6.1
159.08089	36.9
160.05147	9.2
161.05956	7.1
167.07025	41.8
169.10175	5.3
172.05217	8.3
173.05983	99.7
175.07561	12.7
178.06262	6.0
187.07574	37.3
190.06261	42.2
191.07140	13.7
193.08612	8.2
194.07297	8.5
201.16478	6.7
203.07033	23.1
205.06723	9.4
205.08606	100.0
207.10101	6.1
215.06973	19.0
217.08583	42.7
218.09427	17.7
219.10197	33.8
219.13882	5.0
233.08043	9.2
235.09705	11.3
237.09026	6.8
247.09642	42.9
247.13359	6.2
250.06171	5.8
265.08456	25.2
265.10828	22.0
265.14426	6.1
265.19431	10.7
265.21793	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	265.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.05511	3.9
67.05495	10.8
69.07050	7.2
70.88390	8.2
77.84031	2.6
79.05499	5.9
81.03402	7.4
81.07044	13.0
83.04938	3.5
91.05477	12.1
93.07026	5.0
95.08595	8.4
103.05450	7.8
105.07025	11.5
107.04957	6.5
107.08590	9.3
109.10123	3.8
111.07978	4.9
115.05460	31.2
115.55276	2.5
116.06193	3.4
117.07025	45.8
119.08566	7.4
121.06491	3.8
121.10102	4.7
123.08045	3.7
128.06232	5.4
129.06973	8.6
130.04189	4.3
131.08569	12.5
133.06493	3.3
133.10123	7.8
137.02380	29.6
137.03381	3.7
144.05684	6.9
145.05429	5.1
145.06499	85.0
145.10147	9.1
147.04379	5.7
147.08081	4.8
149.09628	4.0
155.04962	4.0
155.06065	19.7
156.05727	21.9
157.06451	8.5
157.94003	2.8
159.08089	9.1
159.11714	5.5
160.05246	3.5
161.05914	6.2
165.06976	4.0
165.09248	3.4
167.07019	9.5
171.11749	3.3
173.05997	100.0
173.13315	3.6
175.07538	5.7
187.07541	9.9
190.06252	43.4
194.07280	6.8
195.11711	6.5
201.16389	5.7
202.06366	5.0
203.07062	22.0
205.06607	9.5
205.08597	87.7
207.11813	6.1
209.13216	7.8
210.14095	4.2
217.08578	64.7
218.09344	4.5
219.10135	7.0
219.13930	3.1
221.13193	8.3
222.06772	8.7
222.14043	4.9
223.14882	6.7
233.06180	3.0
235.09645	7.4
235.14792	14.5
237.09094	5.5
237.16423	3.2
247.09532	7.4
250.06125	6.3
250.17123	11.3
265.08563	29.0
265.10782	5.5
265.19604	51.7
275.15558	2.7
279.86069	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38074	3.5
53.03949	12.9
55.01867	12.0
55.05534	8.4
56.96565	10.2
57.03427	12.1
57.07074	7.8
61.02933	4.2
61.22939	4.0
65.03938	4.1
65.11362	4.0
66.73151	4.1
67.05511	15.2
67.25827	3.6
69.03086	6.4
69.03437	71.2
69.07071	7.3
69.49259	8.3
69.49664	16.9
71.04999	8.2
71.22132	4.3
72.08179	3.9
73.02930	6.2
79.05494	9.3
81.03423	72.6
81.07064	14.5
83.04973	9.3
85.02908	28.2
85.06539	6.2
86.09698	4.5
87.04481	15.0
90.33707	3.8
91.05495	24.2
93.07062	17.4
95.05000	20.5
95.08612	11.6
97.02900	38.5
97.06547	5.6
99.04451	18.4
101.02414	4.9
103.05465	6.9
105.07024	31.0
107.04982	5.6
107.08583	7.5
109.02885	24.6
109.06531	9.9
109.10178	6.0
111.04427	17.7
111.08071	6.2
113.02376	7.9
113.06004	4.2
115.03952	16.9
115.05440	5.9
117.03374	6.7
117.07021	9.3
119.04958	19.4
119.08592	30.4
121.02879	100.0
121.03928	5.6
121.06513	19.1
121.10159	6.0
122.07175	33.4
123.08075	8.1
127.03933	12.1
129.07043	6.9
131.08563	24.1
133.04968	6.7
133.06462	6.6
133.10092	7.3
135.08063	32.4
137.09581	5.7
139.03914	14.5
142.07799	6.2
144.04790	8.5
144.09404	5.1
145.02872	14.9
145.06483	8.2
145.10159	15.5
147.04433	49.0
147.08076	14.6
147.11703	4.8
149.05968	5.6
149.09648	5.6
156.09334	5.5
157.04985	14.1
157.10152	7.0
158.07310	9.8
158.10835	4.1
159.08041	18.7
159.11687	18.0
161.09689	20.3
163.03940	6.8
165.09140	15.4
168.09297	3.7
171.11716	5.4
172.08960	6.2
173.09605	10.5
173.13335	9.3
175.07574	29.8
175.11229	15.4
177.05434	19.2
177.09190	6.6
180.91425	3.9
183.11627	9.9
187.11241	13.9
189.12729	4.5
191.07175	4.2
193.08597	10.1
199.11171	6.5
201.12810	12.1
203.10635	21.0
211.06148	5.4
211.11191	6.1
217.12225	12.3
219.13568	4.1
229.00191	9.4
229.12222	9.4
230.08560	5.7
247.08113	9.4
247.11064	5.1
247.13214	17.9
265.03482	4.2
265.04074	5.3
265.07010	49.6
265.14294	23.6
265.20078	4.7
265.25043	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	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03935	2.7
55.05512	16.0
57.03423	1.6
57.07081	10.3
65.03937	2.7
67.05507	85.0
69.03403	1.1
69.07068	16.7
69.59873	5.4
71.08633	5.7
79.05074	1.7
79.05491	21.9
81.03386	1.0
81.07058	100.0
82.87406	1.0
83.04972	2.4
83.08618	15.7
85.06520	3.6
85.10166	2.5
91.05487	18.3
93.07044	25.0
95.04950	2.8
95.08612	91.7
97.06540	9.0
97.10167	5.8
99.08102	6.9
105.07034	14.8
107.08604	14.8
109.06526	2.0
109.10160	48.6
111.08097	6.0
111.11729	1.3
113.09632	3.3
119.08580	13.3
121.10146	18.1
123.08047	2.0
123.11717	19.5
125.09744	1.4
127.11209	2.8
133.10138	16.3
135.11719	11.4
137.09605	3.1
137.13263	6.4
141.12750	1.6
145.10049	1.6
147.11697	11.3
149.13249	8.7
151.11235	1.3
151.14832	7.4
155.14363	1.8
161.13249	11.7
163.14825	7.7
165.16391	9.7
175.14903	8.4
177.16273	1.6
179.17984	3.4
181.15927	2.5
189.16403	4.0
207.11716	1.3
217.19464	2.0
245.22652	32.4
247.11594	1.7
263.14572	7.6
263.17825	2.4
263.23709	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03945	1.9
55.05272	1.2
55.05514	17.4
57.03429	1.6
57.07078	13.5
65.03930	2.7
67.05509	90.9
69.06731	1.4
69.07070	16.3
69.61545	4.3
71.04987	1.8
71.08625	5.8
79.05083	1.4
79.05502	21.8
81.07062	100.0
83.04975	2.1
83.08626	14.2
85.06534	3.1
85.10153	2.6
91.05483	15.3
93.06493	1.6
93.07050	23.3
95.04941	2.3
95.08614	84.0
97.06535	7.8
97.10178	6.7
99.08067	5.1
102.16652	0.8
105.07034	15.8
107.08604	16.9
109.06484	1.4
109.10166	45.8
111.08067	4.9
111.11743	1.2
113.09635	2.8
119.08595	15.0
121.10155	19.5
123.08050	2.8
123.11707	19.3
125.09598	1.5
127.11230	1.5
131.08577	1.1
133.10127	14.9
135.11707	9.8
137.08630	0.9
137.09630	2.2
137.13258	7.5
141.12743	2.0
143.08511	1.4
145.10146	1.3
147.11700	9.3
149.13272	7.8
150.84885	1.0
151.11116	1.1
151.14844	8.0
157.10118	2.1
161.13274	9.4
163.14830	8.6
165.12866	1.4
165.16418	9.4
167.14406	1.0
175.14827	7.7
177.16315	2.2
179.17963	3.6
181.15947	1.1
189.16411	3.6
193.10020	1.3
203.17990	2.0
206.10992	1.4
207.11670	1.1
217.15871	1.2
217.19606	1.2
221.13251	2.4
233.13290	1.6
245.22668	29.2
248.15506	1.8
263.18280	6.6
263.23712	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81840	24.5
59.39396	25.9
66.41938	23.4
70.49509	70.0
80.00694	20.2
83.96082	21.5
101.00874	61.1
118.67409	22.1
118.77917	20.5
119.01925	49.5
143.01932	100.0
155.01950	39.9
161.02908	67.2
173.03056	42.1
203.04042	25.9
263.01654	89.9
263.06061	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72924	25.2
67.29079	24.4
71.39722	31.7
71.40065	34.4
75.65015	23.9
90.46924	22.5
95.75040	23.3
109.93285	25.1
143.01889	27.2
154.79379	28.4
180.58488	26.7
221.44563	25.1
228.14404	29.6
263.01712	100.0
263.06174	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	4.3
58.99845	0.8
69.03445	1.3
70.71755	1.7
70.98077	0.9
70.99841	2.3
73.02936	1.1
77.00887	1.4
81.03427	0.9
82.99827	6.2
85.02914	1.6
89.00916	3.1
94.99812	0.8
97.01405	1.1
97.02898	1.5
98.97602	4.7
101.00887	37.3
109.02914	1.1
113.00868	8.1
115.02442	1.5
116.98613	1.5
119.01928	26.2
127.02419	3.0
131.01907	11.8
133.03494	0.9
137.02991	1.1
139.02399	5.8
141.00359	0.8
143.01906	52.0
145.03465	5.9
149.02914	0.9
155.01918	10.6
157.03491	12.4
158.99733	0.7
159.01419	1.8
161.02968	65.1
162.03046	1.0
167.01875	3.6
170.96088	0.8
173.02969	20.6
173.06633	0.8
174.79108	0.8
175.04517	1.9
179.04112	1.0
184.04536	0.7
184.41751	0.7
185.02965	10.8
187.04494	1.0
191.04005	9.4
191.07642	1.1
197.02979	1.6
203.04019	20.4
215.04034	0.9
217.01965	0.7
221.05084	13.7
233.05174	0.6
239.06122	6.5
245.05046	1.5
263.06143	100.0
264.06390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1805
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
52.03159	0.5
57.07079	4.2
69.03413	0.6
69.88923	2.6
70.06602	8.9
71.08636	2.8
75.15453	0.6
77.32980	0.6
84.08153	0.9
87.04476	30.0
88.07642	9.4
91.05495	1.1
97.91249	0.6
102.09210	0.9
106.08675	1.2
114.09196	3.5
118.06560	10.8
118.08691	0.8
119.07307	0.7
132.08078	3.6
132.10219	15.0
133.08888	2.1
134.09692	0.9
146.09651	4.1
150.11267	12.8
159.44905	0.6
160.11201	0.5
172.05226	0.6
176.14365	74.1
186.18585	0.8
200.20056	1.2
218.21198	5.3
233.08099	0.9
262.18051	100.0
262.23807	66.6
263.18323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03949	4.1
55.01872	1.1
55.05513	12.4
57.03434	1.9
57.07073	4.2
65.03938	1.1
67.05508	40.4
69.07073	12.9
69.81678	2.5
69.82097	1.3
71.04974	2.1
79.05496	54.5
81.07057	48.7
82.51372	0.9
83.04994	1.0
83.08627	7.0
85.06541	3.7
91.05486	25.7
93.07047	72.6
95.04975	4.0
95.08611	32.3
97.06536	2.6
97.10172	1.4
98.21561	0.7
99.08077	2.9
105.04519	2.0
105.07034	16.0
107.08593	44.8
109.06507	1.7
109.10158	13.3
111.08082	3.7
117.07027	6.2
119.06052	1.0
119.07720	1.0
119.08581	14.9
121.10153	40.1
123.08057	2.0
123.11687	3.1
125.09650	1.0
129.07045	1.0
131.08574	13.5
133.10129	11.9
135.11697	33.1
137.09619	1.7
137.13258	1.2
145.10130	15.5
145.11188	0.6
147.11678	11.6
149.12061	1.2
149.13266	24.3
151.11186	1.6
151.14868	0.9
153.12685	0.9
159.11714	10.9
161.13278	10.2
161.14505	1.4
163.14835	19.9
165.12724	1.5
171.11705	1.0
173.13283	11.6
175.14844	4.1
177.12788	1.0
177.16467	4.2
179.14377	1.0
187.14833	7.1
189.16435	0.9
201.16420	4.2
205.15858	1.0
215.17973	10.6
219.17519	1.5
243.21097	27.4
261.22144	100.0
262.22723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03948	3.2
55.05270	0.9
55.05515	12.7
57.03429	1.7
57.07080	3.5
65.03937	2.1
67.05508	41.0
69.07070	13.3
69.27047	4.3
69.27455	1.7
71.04987	2.4
71.08642	1.0
77.03916	2.0
78.01219	0.6
79.05499	58.7
81.07061	47.3
83.04976	0.7
83.08622	6.5
85.06540	3.9
91.05489	26.7
92.96174	0.6
93.07050	74.8
95.04967	3.6
95.08613	38.0
96.08888	0.7
97.06521	3.6
97.10167	2.8
99.08077	4.3
105.04498	1.3
105.07037	19.3
107.08603	47.1
109.06509	1.7
109.10166	13.1
111.08117	3.8
111.11720	0.9
113.09662	1.2
117.07037	7.3
119.08595	15.7
121.10153	41.1
123.08053	1.4
123.11737	4.0
129.07045	1.1
130.07716	0.8
131.08582	16.1
133.10141	14.1
135.11700	35.6
137.09625	1.0
137.13390	0.7
144.53850	0.6
145.09146	0.4
145.10129	16.1
147.11705	11.5
149.13263	29.2
151.14827	1.0
159.11702	11.0
161.13261	11.0
163.11194	0.9
163.14836	20.7
165.12726	0.9
171.11728	0.6
173.13275	11.7
175.14835	5.3
177.16423	4.5
179.14326	2.0
187.14807	6.5
191.14279	0.9
201.16386	4.4
205.15872	1.0
215.17924	3.9
217.19376	0.9
219.17506	0.9
233.22717	0.9
243.21095	31.4
251.66681	0.7
261.22150	100.0
283.07806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91219	0.6
53.03941	2.5
55.05280	1.0
55.05515	14.7
57.03428	1.5
57.07075	3.4
58.67605	0.7
63.69062	0.7
65.03942	1.2
66.10281	0.6
67.05508	39.8
67.74326	0.7
69.07069	12.7
69.18240	0.7
71.04996	2.0
71.08639	1.2
75.26896	0.7
79.05498	58.7
81.07061	51.6
83.04989	0.9
83.08625	8.8
85.06552	4.2
91.05486	29.0
93.07048	77.5
93.54950	0.6
95.04967	2.8
95.08614	39.6
97.06530	2.6
97.10165	3.0
99.08105	4.1
101.64200	0.6
105.04520	1.4
105.07034	22.0
107.08601	46.9
109.06501	2.1
109.10163	14.5
111.08070	3.2
113.09652	1.3
117.07033	7.8
119.06068	0.7
119.08585	17.1
121.10149	44.1
123.08047	1.9
123.11734	5.0
125.09659	1.2
131.08577	13.8
133.10133	17.0
135.11699	35.7
137.09619	2.3
137.13248	1.1
145.10123	15.0
147.11697	12.5
149.09583	1.0
149.13263	26.3
151.11189	0.8
151.14780	0.8
159.11716	11.1
161.13266	12.1
163.14830	23.2
165.12761	1.7
173.13271	10.4
175.14801	3.5
177.12927	0.7
177.16389	6.6
179.14268	1.7
179.39981	0.7
187.14841	7.5
189.16371	1.4
191.14316	1.1
193.15881	0.8
201.16444	3.4
215.17867	3.9
217.19498	1.3
219.17511	1.0
233.22757	1.2
243.21101	30.9
261.22150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02375	0.6
51.86400	0.5
53.03946	2.5
55.01884	0.7
55.05511	13.1
57.03431	1.6
57.07071	4.3
65.03947	2.0
67.05507	41.0
69.07072	14.0
69.82240	2.2
69.82638	1.2
71.04999	2.9
71.08628	1.3
77.03928	1.2
79.05496	58.5
81.07059	47.3
81.07760	0.7
83.04989	0.9
83.08620	8.3
85.06545	3.3
91.05485	27.1
93.07046	73.6
95.04996	3.4
95.08607	34.9
97.06557	3.3
97.10178	2.4
99.08078	3.7
103.05453	0.7
105.04506	1.1
105.07037	18.9
107.08594	46.5
108.41198	0.6
109.06532	1.4
109.10162	15.7
111.08093	3.7
113.09687	0.9
117.07025	7.9
119.06113	0.6
119.08582	15.6
121.10149	41.3
123.08067	1.9
123.11717	5.2
125.09615	1.1
130.07759	0.9
131.08568	14.2
133.10138	11.8
135.11699	32.7
137.09615	1.8
137.13258	1.5
139.11108	0.8
144.09312	0.6
145.10127	14.6
147.11688	10.9
148.18570	0.6
149.09546	1.3
149.13257	24.4
151.11189	1.3
151.14748	0.9
159.11693	9.6
161.12004	1.0
161.13275	12.5
161.14566	0.4
163.11253	0.7
163.14827	17.9
165.12787	1.0
171.11668	0.7
172.12421	0.5
173.13277	11.0
175.14812	3.6
177.16406	6.0
179.14304	1.5
187.14810	7.5
189.16394	1.1
201.16403	2.4
205.89780	0.6
215.17967	5.8
217.19403	0.9
219.17470	0.9
233.22627	1.4
243.18533	0.8
243.21086	28.6
261.22141	100.0
262.22430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03951	4.7
55.01871	1.7
55.05265	1.4
55.05513	15.2
57.03427	2.1
57.07072	5.1
57.45272	1.0
62.52817	1.0
64.32729	0.9
65.03948	1.1
67.05510	45.5
69.03457	0.9
69.07074	12.7
70.10207	2.2
71.04979	1.7
71.08619	1.2
77.03928	1.0
79.05501	55.6
81.07064	47.5
83.04972	2.2
83.08631	8.9
85.06531	4.3
91.05486	30.0
93.07053	82.2
95.04954	3.5
95.07993	2.0
95.08611	38.1
97.06512	3.6
97.10165	3.2
99.08076	3.6
105.04518	1.9
105.07037	21.5
107.08601	44.4
109.06527	2.2
109.10169	16.6
111.08075	2.6
111.11726	1.0
113.09644	1.9
116.26280	0.8
117.07032	8.2
119.07825	1.4
119.08589	16.3
119.22099	0.8
121.10153	44.9
123.08070	2.1
123.11711	5.2
125.09669	1.0
131.08577	17.6
133.10129	14.1
135.08051	1.2
135.11703	34.8
135.12737	1.8
137.09604	1.7
137.13261	1.1
145.10130	15.4
147.11700	12.5
148.19739	1.0
149.09660	1.5
149.13261	26.7
151.11208	2.2
153.12793	1.1
159.11697	12.4
159.71898	0.9
161.13251	13.0
162.73964	1.1
163.14835	18.0
165.12801	1.1
167.14412	1.0
173.13287	9.2
175.14824	5.6
177.12798	1.1
177.16345	3.6
179.14342	2.3
187.14853	6.7
188.85020	1.0
201.16350	2.8
203.17896	1.0
215.18013	5.5
219.17459	1.7
233.22614	1.2
240.60834	0.9
243.21104	29.4
244.88309	0.9
261.12936	1.7
261.22141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1487
Annotation	Heterogorgiolide
Peak:m/z	Relative Intensity
53.03934	2.2
55.01863	5.8
55.05506	6.1
55.70704	1.5
57.03418	1.5
61.02923	3.3
66.23563	1.2
67.05500	7.6
68.99787	2.7
69.03436	10.0
69.36765	9.3
69.37177	4.3
71.01357	2.3
71.04979	1.4
79.05484	11.6
81.03398	7.2
81.07056	15.4
83.04974	6.2
85.02896	4.2
91.05482	22.0
93.07050	25.6
95.01280	1.5
95.04976	7.7
95.08605	7.4
97.02888	6.8
97.06557	2.8
99.04435	3.2
105.07029	30.7
107.04955	5.9
107.08601	24.2
109.06495	4.2
109.10130	2.4
111.04438	6.9
113.06012	1.5
115.03892	1.7
115.05448	3.9
116.06243	1.7
117.07021	11.6
119.08601	17.7
121.06513	5.7
121.10156	6.0
123.04420	10.6
123.08096	4.2
127.24294	1.5
128.06224	7.7
129.07027	14.8
130.07755	2.1
131.04947	2.0
131.08575	29.9
133.06500	2.7
133.10129	18.6
135.04396	1.8
135.08002	3.3
135.11684	9.0
137.05984	3.1
141.05673	1.6
141.06984	6.1
142.07770	7.7
143.08548	20.5
144.09401	2.0
145.06493	6.7
145.10136	25.3
146.07356	1.6
147.04466	1.6
147.08051	5.4
147.11708	7.2
149.06015	2.3
149.09602	2.4
151.03920	5.1
151.07561	1.9
151.11177	3.5
153.06969	2.5
154.07771	3.0
155.08575	15.8
156.09357	4.8
157.06523	2.5
157.10121	22.4
158.07260	2.0
158.10840	2.0
159.08069	18.9
159.11690	16.3
161.09589	5.3
163.07556	3.5
163.11150	4.6
167.08577	3.0
168.09268	3.8
169.10135	12.9
171.07970	3.0
171.11684	11.0
173.09633	9.5
173.13275	6.6
175.07516	1.7
175.11234	4.8
177.12653	2.5
181.10132	1.6
182.10899	2.6
183.08076	3.3
183.11653	9.5
185.09593	3.7
185.13257	2.8
187.07571	2.1
187.11191	11.3
189.09065	2.4
189.12785	4.4
191.08743	1.7
192.09306	2.0
197.09486	2.1
197.13326	9.1
199.11209	6.8
201.09152	3.7
201.12762	11.0
203.10677	3.9
203.14313	2.5
207.11758	3.3
213.12633	2.9
215.10680	3.0
215.14359	11.5
217.12311	2.7
225.12721	6.7
231.13737	4.7
233.15273	3.1
243.13820	28.1
261.03912	3.2
261.07541	4.0
261.14865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05504	8.0
57.07066	3.5
63.77945	1.8
67.05495	11.4
67.14391	2.0
69.03447	2.4
69.07073	32.1
69.30516	16.6
71.04999	18.0
79.05485	5.2
81.07066	16.6
83.04998	4.3
83.08611	8.9
85.06549	18.6
91.05486	11.5
93.07061	12.0
95.04949	2.4
95.08610	19.0
97.06537	3.2
97.10194	2.4
99.08098	2.8
105.07030	26.5
106.65965	1.9
107.08595	20.8
109.06545	5.8
109.10170	13.2
111.08076	8.5
116.04324	2.2
117.07024	7.6
119.08591	52.9
121.10175	10.5
123.08044	4.4
123.11726	21.9
129.01833	3.9
129.06961	3.7
131.08543	14.4
133.10138	36.0
135.08067	11.8
135.11690	3.0
137.09610	4.5
143.08562	9.8
145.10135	33.4
147.11694	18.0
149.13257	3.3
157.10173	11.6
159.11707	33.6
160.12503	3.6
161.13255	27.5
163.11133	4.6
171.11703	17.8
173.13242	8.6
175.11224	5.6
175.14833	83.0
176.15578	4.1
177.12811	3.2
185.13251	12.2
187.44881	2.7
189.12712	5.9
189.16380	6.2
190.13611	2.3
199.14764	5.8
201.16422	21.7
203.14314	10.1
215.17932	6.4
217.19496	3.9
241.19522	17.3
259.20590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	Cochinolide
Peak:m/z	Relative Intensity
53.03949	1.0
55.01868	1.0
57.03429	0.6
59.44752	0.6
65.03944	1.0
67.05481	1.5
69.07066	3.7
69.39513	4.9
77.03928	1.1
79.05524	3.3
79.05904	0.6
79.64819	0.6
84.12107	0.7
89.03922	1.6
91.05489	28.4
92.02637	0.7
95.04963	1.4
97.06539	15.0
98.20842	1.1
105.03398	1.8
107.04922	0.9
117.03384	1.7
120.02094	1.2
122.20255	0.5
133.02885	1.1
135.04424	4.7
145.02872	1.4
147.04420	0.7
151.03906	1.7
152.06291	0.7
159.04349	0.6
161.02428	1.6
163.03915	100.0
164.04277	0.8
173.02353	5.6
175.17142	0.6
181.04980	19.3
189.09070	0.8
215.07071	7.2
241.08621	37.3
251.77649	0.7
259.09720	8.5
259.20593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38527	1.7
67.05500	2.8
69.03432	2.5
69.77178	7.6
69.77590	3.3
71.09762	1.5
72.08141	1.7
78.63371	1.5
81.03392	1.5
81.04554	1.9
97.02901	2.4
111.04431	2.3
111.05554	2.5
121.02856	4.1
126.00147	1.6
132.95885	1.6
138.05501	2.0
149.01309	1.8
149.02367	8.2
157.06383	1.8
164.58563	1.8
177.71060	1.7
194.12297	1.7
213.05496	5.3
231.06422	6.3
244.30666	1.6
259.04251	100.0
259.16553	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	259.0967
Annotation	Ephemeranthol C
Peak:m/z	Relative Intensity
51.80571	2.6
55.01872	5.9
69.03426	8.1
69.07068	8.9
71.49059	3.5
79.05500	4.5
80.93664	2.8
85.02901	3.6
91.05484	4.1
92.40833	3.1
95.04943	3.6
95.23832	2.4
97.06532	30.4
103.29133	2.6
105.07020	3.0
115.05469	8.5
117.03419	3.6
119.08563	2.7
128.06216	16.4
129.07022	18.7
131.04955	3.2
135.04411	3.7
139.05428	5.4
141.06953	3.3
142.07834	3.4
143.04951	5.2
143.08575	10.6
145.02866	4.4
145.06447	5.5
149.06006	4.0
152.06216	5.2
153.07005	20.7
155.04933	7.7
157.06505	20.0
159.04443	4.6
159.08186	3.1
160.05208	7.7
161.02283	4.4
161.05960	11.4
163.03932	18.8
167.04933	4.7
167.08650	5.2
169.06474	7.8
170.07310	4.8
171.08124	20.4
172.05304	3.0
173.02373	14.2
173.05965	13.9
174.06792	17.3
175.07552	14.2
177.05542	5.5
181.06494	23.7
183.04379	2.8
184.05212	6.2
185.05998	11.0
185.09569	5.5
187.07622	14.6
188.08342	8.4
189.05521	3.7
189.09116	46.0
195.08099	6.0
197.06030	7.8
198.06688	14.4
199.07561	45.9
200.04671	5.4
201.05502	8.7
202.06253	6.1
203.06941	5.3
203.10674	7.7
209.06015	6.7
213.05566	6.1
213.09129	36.3
215.07039	39.9
216.07796	14.2
217.05034	2.8
217.08617	47.4
226.06248	4.7
227.07016	9.9
229.08578	8.3
230.32910	2.9
231.10184	40.2
241.08633	27.4
244.07332	5.2
259.05850	5.2
259.09683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
54.18690	1.2
55.05499	3.6
57.07078	2.0
59.04977	1.1
67.05524	5.3
69.07072	5.6
71.04986	4.3
71.07444	2.6
79.05502	5.5
81.07061	6.1
83.04999	2.8
83.08627	2.6
85.06538	3.4
91.05486	7.5
93.07055	10.9
95.04955	3.0
95.08606	8.1
97.06510	1.9
103.05428	1.3
105.06406	1.8
105.07034	19.8
107.08603	12.5
107.60371	1.1
109.06525	6.0
109.10148	7.9
111.08047	2.1
115.05477	1.8
117.07017	5.3
119.08594	19.0
121.10149	47.2
123.08055	2.9
123.11694	1.8
128.06267	2.7
129.06975	5.4
130.07745	1.6
131.08592	13.7
133.07585	1.4
133.10143	11.8
135.08063	11.5
135.11696	3.4
137.09622	3.9
141.07001	2.4
142.07777	6.1
143.08563	14.0
144.09293	2.1
145.10146	17.4
147.11673	4.5
149.09634	4.3
155.08559	3.7
156.09340	4.1
157.08853	1.3
157.10143	25.3
158.10916	5.9
159.08067	1.7
159.11708	26.0
161.09660	2.6
161.13295	2.2
163.11179	3.2
167.08545	1.1
168.09283	1.5
169.10135	7.9
170.10858	1.2
171.11697	13.8
173.09731	1.9
173.13272	24.1
174.13985	3.4
175.11197	2.0
175.14861	1.9
177.12775	1.2
183.11720	12.4
184.12462	4.0
185.13251	3.8
187.11215	5.5
187.14836	4.2
189.12755	2.4
195.11739	2.1
197.13263	9.7
199.14824	29.9
201.12770	10.3
209.13243	2.2
210.14070	2.0
211.14807	2.0
213.16382	13.3
214.17151	2.5
215.14403	3.6
215.17944	11.4
224.15674	1.7
239.17961	15.3
257.19028	100.0
257.26581	5.1
258.27917	4.8
278.39993	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.0
57.03437	4.3
57.34895	0.8
62.44674	0.8
66.72182	0.8
71.02332	0.8
71.08232	1.8
75.04485	3.0
78.58184	0.9
79.05502	4.7
80.00695	0.7
85.02894	0.9
91.05497	1.0
93.06995	0.9
94.04172	1.3
103.05469	2.7
105.07040	33.9
107.04965	3.1
109.06586	1.0
117.06999	1.0
122.03645	5.1
124.05218	1.7
133.06499	47.1
137.05986	100.0
145.73077	0.9
163.07570	3.7
165.09131	25.8
165.15765	1.0
175.07596	2.8
177.09128	2.1
181.08640	1.5
183.10107	4.1
185.55669	1.0
221.11774	2.8
225.09039	1.0
229.05003	1.2
230.86101	0.9
239.12671	1.2
241.03757	0.9
257.04480	2.1
257.14093	1.1
270.90903	1.0
272.21460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0816
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
55.01874	2.3
57.03442	4.9
59.05000	0.4
61.02928	1.2
69.03432	2.1
69.92841	0.8
69.93240	0.5
71.01362	1.2
73.02925	3.0
78.03459	0.4
80.05029	1.7
84.63139	0.2
85.02911	3.4
87.04474	0.6
95.18541	0.2
96.04498	0.7
97.01398	0.3
97.02915	1.8
100.02438	0.3
101.00886	0.7
103.03961	0.5
106.02960	0.2
107.14726	0.2
113.00880	0.2
114.05589	0.3
115.02438	0.7
115.03928	1.7
119.01956	0.5
123.05605	1.1
124.03961	100.0
125.04316	0.6
127.03911	0.3
131.01901	0.6
133.04976	3.5
145.03485	0.4
155.01874	0.7
173.02997	0.6
174.54553	0.3
193.79616	0.3
197.02850	0.3
233.01431	1.2
245.05006	0.2
251.02490	1.4
256.03033	1.5
256.08163	0.4
257.05252	0.3
274.04114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04567	0.3
56.96567	13.2
57.03439	0.5
61.02930	1.2
69.03429	1.1
70.90780	0.9
70.91116	0.4
71.95270	4.3
78.68990	0.4
82.99802	0.5
84.82311	0.4
85.02908	1.3
90.27783	0.4
97.01413	0.6
97.02899	1.1
98.97586	100.0
101.00912	2.0
106.96520	0.4
110.97594	0.6
112.92265	0.6
115.02441	1.3
116.98626	28.5
117.87460	0.4
119.01920	2.6
125.07081	0.8
127.03973	0.5
128.98604	0.7
130.93298	1.7
131.01955	0.8
133.03433	0.4
134.99657	4.3
140.00162	0.4
143.00162	0.5
143.01924	1.3
143.04529	0.5
145.01714	0.6
145.05051	0.4
148.03914	0.6
153.00586	0.4
153.05803	0.7
153.55846	1.2
154.03853	0.6
154.93295	0.4
161.01271	0.5
161.02988	1.0
163.02740	0.4
163.04410	1.3
170.05185	0.5
172.94351	5.5
190.95450	2.8
208.96535	0.6
214.95396	3.6
215.00456	0.5
218.04497	0.5
230.98334	0.4
232.96463	4.3
233.01460	2.3
234.01628	0.8
247.24788	0.4
250.97469	1.1
251.02437	2.0
252.02686	0.6
256.96472	13.4
257.03162	1.4
274.97513	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0808
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
51.42334	0.3
53.03959	0.5
55.01858	0.4
67.01865	5.4
67.05502	0.8
68.99793	2.9
69.03419	1.1
70.88155	0.6
70.88510	0.8
79.05506	2.9
79.29527	0.4
81.03434	0.9
81.07057	0.8
83.01341	0.6
91.05498	2.8
93.07049	0.7
95.04973	0.7
95.08616	1.0
97.02885	1.3
103.05468	18.8
105.03376	0.8
105.07036	1.4
107.04963	2.8
107.08561	0.7
111.00806	1.2
117.07025	0.8
119.08602	0.8
121.10200	0.4
123.04438	1.3
129.01907	0.7
129.07007	0.9
131.04935	38.8
131.08539	0.8
133.10144	0.6
141.06961	0.4
143.08592	0.7
145.06549	0.8
145.10130	1.1
151.03905	2.1
153.01834	100.0
154.02194	0.7
157.10112	0.7
159.11714	0.8
165.07056	0.5
169.10114	0.6
171.02908	7.8
171.11678	1.1
173.05980	2.2
173.13255	1.3
176.06415	0.4
179.03377	1.4
185.13283	0.8
187.11253	0.9
191.07048	1.0
197.13284	0.8
199.14847	1.5
211.07738	0.4
211.14938	0.7
215.07098	1.9
239.07040	0.8
239.17984	0.9
254.53008	0.4
257.08096	85.6
257.18954	4.9
257.22693	0.7
258.08432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64575	0.3
52.57748	0.3
53.03944	0.9
55.01869	3.9
55.05521	0.3
56.96556	0.9
57.03159	0.6
57.03440	10.1
57.07072	0.4
58.99867	2.9
59.04990	1.2
61.02928	4.4
62.61035	0.3
67.05470	0.4
68.05026	0.7
68.98284	0.6
69.03434	7.1
70.71439	0.6
70.71776	0.4
70.98106	0.4
70.99851	0.6
71.01355	2.4
71.04996	1.4
73.02921	6.5
73.86852	0.3
75.04501	0.5
77.00916	0.4
78.03474	0.6
79.00349	0.4
80.05016	1.6
81.03414	1.9
82.01439	3.2
82.99867	1.1
83.01352	0.3
83.04964	0.6
85.01405	0.9
85.02908	12.9
85.93056	0.3
86.03253	0.4
86.99349	0.5
87.04469	1.9
89.02388	0.4
91.03962	0.3
94.02682	0.4
94.99814	0.5
96.02409	0.3
96.04491	1.0
97.01398	7.0
97.02298	0.6
97.02892	8.4
98.03245	0.5
98.97571	1.1
99.02948	3.1
99.04460	1.8
99.36522	0.3
100.02490	5.9
101.00887	6.3
101.02382	2.6
102.02414	0.5
102.04343	0.3
103.00642	0.4
103.02434	0.9
103.03959	0.5
108.04265	0.4
109.02919	1.1
110.07133	0.3
111.04401	0.4
113.00875	3.1
113.02431	1.1
114.04253	0.3
114.05533	1.6
115.02439	17.4
115.03879	3.7
117.03986	7.1
118.03532	1.4
119.01924	9.5
119.02721	0.7
119.03343	0.3
120.02079	0.4
123.02914	0.4
123.05553	0.6
124.03957	100.0
124.32539	0.3
125.00900	1.5
125.04311	0.4
127.02435	2.8
127.03884	2.0
127.98867	0.7
129.01866	2.3
129.03955	0.4
131.01912	3.9
131.03439	0.4
131.05551	1.1
132.03464	0.7
133.01801	0.4
133.03468	6.6
133.04965	3.6
135.05042	3.0
137.02913	1.1
138.04070	0.6
140.05553	2.4
141.00354	0.4
141.03995	0.4
142.03494	0.8
143.01912	6.5
143.03395	1.5
144.02005	0.5
144.99789	0.9
145.03453	8.0
145.04994	0.8
145.99908	0.7
147.01376	1.3
147.05025	0.9
148.07617	0.4
149.02979	0.5
149.06645	0.9
151.04286	0.6
153.00352	0.8
153.03973	0.8
153.05783	5.4
153.54161	0.4
153.55817	0.7
155.01888	1.9
156.02007	0.5
156.05028	0.4
157.01355	2.2
157.03482	2.7
158.03673	0.4
158.06590	1.5
159.01434	1.2
159.03044	0.5
159.05040	0.6
160.04771	4.0
161.02962	4.8
161.04445	1.9
161.05431	0.6
161.06592	1.6
162.06299	0.9
163.04535	1.9
166.03461	1.1
166.04790	0.6
167.01991	0.6
167.05574	0.3
168.01616	0.4
168.05081	2.1
168.99841	1.0
169.03445	2.0
169.05334	1.8
170.02957	0.4
170.06013	0.4
170.99889	0.6
171.01422	5.3
171.02821	0.6
171.05057	0.7
172.99352	0.4
173.01471	0.3
173.02963	2.2
174.03119	0.4
174.04489	0.7
174.54617	1.0
175.04568	1.0
177.02423	0.8
178.02582	0.3
183.05043	0.9
183.55231	0.5
184.04570	4.8
185.03001	1.7
186.03110	0.4
186.06142	0.4
187.00877	2.2
187.02754	0.5
187.04474	1.6
189.02434	6.8
189.03983	4.1
194.03061	1.3
196.99368	0.8
197.03032	1.1
199.00977	0.3
199.04552	0.4
201.06175	0.3
203.03943	1.3
203.05571	1.4
205.01981	0.9
205.03862	0.4
207.03502	2.6
209.03195	0.4
210.02454	1.7
212.04051	6.5
215.00301	4.0
215.03990	1.0
221.05069	1.0
228.03551	0.5
229.02005	0.6
230.05052	1.9
233.01440	25.9
234.01630	0.5
238.01935	1.5
245.05057	1.1
246.05435	0.7
247.02927	0.8
251.02493	30.6
252.02597	0.7
256.03040	41.0
257.03159	0.9
259.06827	0.4
271.02988	0.5
274.04083	15.2
279.04581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.8
57.03426	5.0
57.07069	2.5
61.17900	2.2
67.05515	11.6
69.07064	7.3
71.49614	3.2
74.10969	2.1
79.05495	13.5
81.07059	9.4
83.05000	4.7
91.05485	7.5
92.63731	2.1
93.07048	20.3
95.04938	3.7
95.08607	11.7
97.06528	4.8
97.10181	2.4
98.98470	74.5
99.08085	2.9
104.66793	2.0
105.07039	7.6
107.08591	13.7
109.10156	6.3
117.07043	4.4
119.08599	13.7
121.10078	2.5
123.08054	4.9
128.06192	2.4
130.07883	2.6
131.08545	3.8
133.10170	5.5
135.11679	16.4
137.09625	100.0
142.07776	6.7
143.08548	6.8
145.10133	6.3
147.11700	5.1
154.07761	2.7
155.08589	5.9
156.09334	3.7
157.10123	9.7
159.11711	7.7
168.09425	3.3
169.10208	5.1
170.10925	3.2
171.11719	12.1
173.13319	5.3
176.98943	2.3
181.10066	2.3
183.11717	17.8
185.09666	6.5
185.13298	10.8
191.14348	7.3
195.11703	3.9
197.13206	5.0
199.11131	2.5
199.14833	8.5
206.77254	2.2
209.15381	31.4
211.14867	2.7
213.12898	2.2
213.16417	3.4
237.16429	5.4
255.10178	2.5
255.13647	4.4
255.17479	24.3
255.21098	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48972	1.6
53.03941	3.9
55.01872	5.0
55.05276	2.5
55.05515	28.9
55.64687	1.8
55.88317	1.7
57.03159	2.6
57.03438	52.4
57.07067	6.8
65.03928	2.2
65.88234	1.5
67.05508	77.6
69.07072	28.7
71.01353	6.9
71.04999	8.0
71.50198	2.1
77.03922	2.0
79.05498	69.8
81.03410	7.9
81.06593	2.3
81.07059	32.5
82.49915	1.6
83.04984	22.9
83.08607	6.6
84.68629	1.5
85.06525	5.4
91.05485	35.7
93.03718	1.7
93.07048	76.1
95.04958	5.3
95.08614	15.8
97.06535	19.4
97.10168	20.8
98.97877	2.8
98.98470	38.6
99.04473	1.9
99.08080	5.0
100.98897	2.8
102.14142	1.6
105.04511	2.3
105.07043	8.2
106.59168	1.6
107.04954	3.1
107.08597	55.4
107.23823	1.8
109.10152	13.5
109.53886	1.8
111.04449	2.6
111.08073	3.4
117.07024	7.7
119.08566	15.7
121.06467	2.5
121.10155	12.1
125.09637	5.7
129.07005	3.0
131.08598	2.8
133.10121	7.5
135.08066	1.9
135.11696	100.0
137.09598	3.0
143.08578	4.4
145.10112	16.9
153.12733	4.5
155.08522	2.5
156.09315	3.6
157.10147	4.6
163.11183	14.5
164.37628	2.2
171.11705	5.1
179.08577	2.1
181.10275	4.0
181.12253	17.1
185.13258	3.7
195.11734	4.2
196.12415	1.7
196.18156	1.8
197.13205	3.5
199.11295	3.1
199.13226	2.3
207.11679	3.7
209.11714	5.9
211.14832	15.6
213.16414	3.4
218.70981	1.8
222.14021	3.6
237.16397	18.2
255.15678	24.5
255.17529	34.1
255.21127	3.7
255.23309	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	254.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03473	0.9
55.05522	4.3
56.05034	2.2
58.57664	0.9
65.03932	2.8
67.05511	69.7
68.05019	3.3
69.07066	1.8
69.65822	4.8
70.06585	4.2
71.04993	1.2
74.62846	1.0
79.05511	5.4
80.04647	1.2
80.05031	12.1
81.07059	12.7
82.06588	16.5
86.06053	1.0
91.05497	6.3
93.07030	2.8
94.06580	26.1
95.05004	1.0
95.08614	1.7
96.08101	1.7
97.06560	1.0
98.98483	8.1
105.07040	5.8
106.06557	2.8
107.08582	3.2
108.08115	2.9
109.10175	19.5
110.09657	0.9
114.05542	2.3
115.05408	1.0
117.07007	4.5
118.06548	1.1
119.07327	2.7
119.08593	3.8
119.94557	0.9
120.08123	17.1
122.09660	3.2
125.35549	0.8
128.07092	4.4
129.07001	1.0
131.08580	5.3
134.09666	6.4
136.06157	1.3
136.11238	1.4
140.03096	0.9
140.07077	25.4
145.10205	1.0
147.09949	1.1
147.11714	6.8
148.11237	1.4
154.08740	1.0
162.12808	1.6
166.08633	1.0
168.10208	1.1
173.13336	1.6
180.10153	2.7
188.14293	1.0
190.15921	13.9
194.11694	1.3
208.16977	3.9
236.16472	93.1
237.16731	1.5
243.60231	0.9
254.17537	100.0
262.97116	1.1
271.86505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65749	6.8
56.96562	15.5
57.03437	17.2
57.34818	7.2
58.94934	7.4
61.02924	14.8
69.03440	16.0
70.78523	11.2
70.78894	13.6
73.02915	19.7
80.98717	7.2
82.73717	6.1
85.02904	25.8
97.02894	17.6
98.97549	7.5
98.98478	77.9
101.00877	20.8
115.02454	12.5
119.01933	19.5
123.05554	100.0
124.03932	9.4
126.98769	25.0
131.01869	9.2
138.94846	6.8
143.01884	10.7
144.99844	49.6
145.03442	10.8
155.01849	8.7
157.03418	12.3
157.45006	7.6
161.02953	13.0
161.05544	9.7
163.04272	6.6
172.99324	13.6
174.04515	10.2
176.52533	8.9
177.02406	14.3
185.03038	15.7
187.04549	8.8
203.03984	10.6
233.01358	12.9
245.05156	15.2
251.02612	10.4
255.06358	11.8
256.03134	16.1
274.04041	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	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	7.5
71.01344	7.5
71.22811	5.2
72.76951	2.5
75.04479	18.0
75.62580	2.1
87.04468	5.7
98.98480	5.5
103.03946	16.4
131.03403	4.6
153.84010	2.3
159.02899	41.4
172.46312	2.5
187.02347	3.2
219.05032	100.0
257.75797	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	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49764	1.0
53.03941	1.3
55.01867	3.6
55.05504	3.1
56.96570	100.0
57.03439	9.7
58.99858	1.7
59.05004	1.6
60.95287	1.1
61.02927	5.0
67.05495	2.3
69.03430	12.4
70.06594	3.9
70.98119	1.5
71.01363	5.8
71.05003	1.7
71.49086	1.8
71.95274	3.3
72.96056	1.4
73.02908	6.2
74.86510	1.2
74.97592	1.4
77.00912	1.3
81.03428	8.0
81.07061	5.0
82.99841	1.2
83.05006	1.7
83.06099	5.6
84.96040	21.1
85.02909	13.1
85.06538	1.2
86.09712	1.7
87.04466	2.4
91.03989	1.2
91.05483	1.7
93.04539	2.9
95.05009	1.9
95.06113	8.8
95.08637	1.4
97.02901	14.5
98.06086	1.6
98.97593	32.7
98.98475	17.6
99.04463	1.6
100.02524	2.4
101.00890	7.2
101.02396	1.2
103.03957	3.6
109.02884	8.5
110.01306	2.4
110.07172	29.5
110.97562	7.5
111.04454	2.9
112.07599	3.4
112.99149	7.4
113.02385	1.8
115.00684	1.8
115.02471	1.8
116.98640	14.9
118.92091	3.1
119.01925	11.6
119.04972	2.5
120.02094	2.1
121.01697	2.3
121.02894	2.2
123.04573	2.5
123.05562	11.5
124.95487	1.5
124.99131	7.4
125.02370	1.6
127.00715	2.0
127.03948	8.0
128.98615	7.2
129.05492	1.9
131.00204	6.0
131.01921	8.7
131.03458	5.9
132.02069	1.7
133.01768	1.4
133.03508	1.7
134.99670	3.1
136.06206	21.0
136.07294	1.7
136.07658	1.5
136.93150	2.3
137.05998	5.4
140.04041	1.2
140.98628	2.9
141.02229	4.5
142.96529	2.0
143.00180	16.8
143.01872	5.5
143.03447	1.9
145.01726	2.2
145.03481	11.4
145.04968	2.5
146.99654	3.6
147.03271	1.5
147.04457	4.3
149.01236	2.1
149.02943	2.0
151.00665	1.5
153.01836	13.1
153.02948	1.7
154.02063	1.4
154.94203	3.6
155.01904	3.5
157.01772	2.0
157.03490	2.3
157.04971	2.6
158.06694	2.3
158.99678	5.7
159.02974	14.7
160.06470	2.1
161.01266	8.1
161.02924	4.7
163.04497	5.0
163.12308	12.5
167.00220	2.1
167.11832	1.5
168.05164	1.1
168.98080	1.9
169.01651	2.6
170.99663	3.6
171.01323	2.5
171.05151	2.2
172.95326	2.7
173.02968	4.9
174.95497	1.9
174.99136	4.3
175.04474	1.9
177.00810	3.4
177.04192	1.7
179.02219	1.5
181.52893	1.3
182.03398	3.8
182.99747	3.0
183.01369	1.6
184.97536	2.0
185.01225	5.9
185.02991	4.3
185.06593	1.6
186.06189	2.5
186.99171	3.0
187.02777	4.0
188.03925	1.5
188.97133	2.7
189.00735	5.6
189.02333	1.8
190.13443	4.2
190.91925	3.0
190.98698	1.5
191.03954	5.4
191.05446	2.5
192.96626	4.8
193.00221	3.1
194.99730	1.6
195.01402	1.4
195.04045	2.5
195.11353	4.1
201.00693	5.5
201.02368	2.6
202.98752	2.4
203.02238	5.6
203.03976	4.0
205.00168	2.8
205.03812	2.2
205.05566	2.9
207.01736	2.1
207.05470	1.4
208.04938	2.6
208.14464	18.0
210.97670	2.2
212.04106	3.7
212.96965	2.2
212.98744	1.6
213.00662	4.4
213.02487	2.7
219.01825	2.4
219.05078	10.2
221.03308	2.2
225.02495	1.8
230.05031	2.0
230.98119	20.7
231.01750	14.4
231.03639	4.8
231.05455	1.9
237.02718	3.0
245.04967	2.2
248.99229	86.5
249.02847	27.4
254.05275	4.2
254.09918	2.2
254.12468	16.5
254.15083	27.7
258.01590	2.6
267.00269	38.7
267.03912	5.8
272.04303	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2164
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
50.52711	0.4
53.03958	1.1
55.01867	0.7
55.05513	11.2
57.03427	1.0
57.07085	3.9
65.03941	0.7
67.05506	13.2
69.03432	1.4
69.07072	18.1
71.04994	1.8
71.08639	0.9
71.50275	0.5
76.23835	0.5
77.03901	0.5
79.05500	6.0
81.07057	17.4
83.04980	1.5
83.08622	11.0
85.06538	1.8
91.05483	5.9
93.07049	7.3
94.35686	0.5
95.04994	0.8
95.08611	17.0
96.73244	0.5
97.02837	0.5
97.06528	2.6
97.10179	8.2
98.98472	100.0
99.08098	2.0
100.98886	0.8
105.07039	6.1
107.08607	5.8
108.28889	0.5
109.06535	1.1
109.10164	9.8
111.08115	2.4
111.11709	3.1
113.09679	0.6
115.07555	0.6
116.99531	0.9
119.08577	6.6
121.10147	7.0
123.04459	0.5
123.08076	1.5
123.11697	3.4
125.09653	1.1
125.13231	0.9
129.07008	0.4
131.08582	1.6
133.10147	8.5
135.11696	6.0
137.09644	2.6
137.13255	1.8
139.11203	1.7
142.07776	0.6
142.12805	0.5
143.08553	0.9
145.10175	0.7
147.08041	1.1
147.11687	4.1
149.09641	0.9
149.13264	1.4
151.11200	1.5
151.14836	1.1
153.12769	1.4
155.08601	0.9
157.10118	1.0
159.11732	1.0
161.09628	3.2
161.13272	3.0
162.06425	0.5
165.12779	1.7
167.10677	0.6
169.10143	1.6
174.99269	1.2
175.14793	2.2
176.98956	0.9
179.10695	1.6
179.14340	1.4
181.10141	1.7
183.11702	3.2
189.12750	0.6
189.16409	1.0
191.17903	1.2
193.15959	0.7
193.19513	0.9
197.11711	1.2
197.13326	1.9
207.13713	0.6
210.06696	0.6
211.14845	1.3
217.15973	1.5
217.19499	6.1
225.09032	0.5
235.17050	0.7
235.20564	4.6
238.17172	0.5
253.08597	1.2
253.12480	1.1
253.15878	1.7
253.19524	5.7
253.21770	3.4
254.15962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1801
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
52.25750	0.5
55.01873	0.9
55.05501	2.0
57.07063	1.1
65.03941	0.8
67.05239	0.5
67.05511	5.1
69.03436	0.7
69.07065	2.8
71.04991	5.1
71.48838	0.6
71.49225	0.6
76.55292	0.5
79.05504	2.9
81.07061	5.4
83.04976	1.0
83.08614	1.4
85.06573	1.1
91.05478	2.8
93.07053	3.8
95.04973	3.8
95.08627	4.2
97.06544	1.4
97.10190	1.1
98.98474	100.0
100.98911	1.1
104.21545	0.5
105.07050	3.9
107.04958	1.4
107.08589	4.9
109.06539	1.2
109.10160	9.2
111.08101	0.9
116.99466	0.9
119.08591	4.4
121.02898	0.6
121.06470	0.6
121.10155	4.7
123.11711	1.3
125.09660	3.2
127.11200	1.1
131.08572	1.0
133.10132	2.7
135.11714	2.4
137.09641	1.1
139.07576	0.7
145.10143	2.3
147.04375	0.6
147.08029	0.8
147.11685	6.0
149.09630	0.6
149.13255	0.9
151.11195	0.7
153.12770	1.7
157.10188	0.6
159.11729	0.9
161.06042	0.7
161.09700	0.8
165.07018	3.4
165.09097	0.8
165.12778	1.1
169.10219	1.2
170.55133	0.6
174.99217	1.3
175.11214	0.8
175.14868	1.6
176.99023	1.7
181.06517	0.7
182.07324	1.6
189.16440	2.7
193.06598	1.1
193.15901	1.3
197.11671	0.9
199.14970	0.7
204.46884	0.6
207.17509	1.2
210.06880	2.6
217.15971	2.3
221.06029	1.6
225.09148	1.0
227.51161	0.5
235.16991	3.0
238.06335	1.2
253.08640	7.9
253.12212	2.6
253.18034	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03938	1.1
55.01875	2.8
55.05506	3.1
57.07080	1.2
58.64596	0.6
60.73817	0.6
65.03929	1.1
67.05499	6.2
69.03428	2.3
69.07062	3.0
71.04986	4.7
71.48380	0.8
76.53683	0.7
78.26846	0.8
79.05501	9.6
81.03417	0.8
81.07060	23.7
83.04974	3.0
83.08625	1.1
85.06522	2.1
91.05491	8.6
93.07048	21.3
95.04982	6.6
95.08608	7.8
97.06532	7.8
98.98471	100.0
99.04452	4.1
100.98911	1.3
103.05491	1.3
105.06404	1.0
105.07043	11.0
107.04952	2.0
107.08601	8.9
108.56633	0.7
109.06527	16.0
109.10158	1.4
111.08065	2.0
113.06023	2.6
116.99496	1.4
117.07051	1.8
119.04918	1.6
119.08595	9.3
121.06512	43.2
121.10155	2.5
123.04434	2.7
123.08053	3.2
125.05994	2.3
125.09573	0.9
127.07572	4.3
127.08376	0.5
129.07014	2.4
131.08572	2.4
133.06516	1.6
133.10162	5.1
135.04404	3.8
135.08043	4.0
135.11691	0.9
137.06000	2.8
137.09662	1.1
139.07544	9.1
141.05479	1.2
142.07784	2.3
143.07161	0.7
143.08572	4.7
145.10117	3.1
147.08055	2.7
147.11691	12.6
149.06032	0.8
149.09573	0.8
151.07545	1.6
151.11220	0.7
153.05498	1.0
155.08534	0.9
156.09322	1.3
157.10092	6.4
159.07983	0.9
161.06023	0.7
161.09625	1.2
161.13258	4.4
163.11148	0.8
163.14880	1.1
165.07053	4.1
165.12770	1.9
166.07806	1.7
171.08170	0.7
171.11699	6.7
173.09711	1.1
173.13339	0.8
174.99242	1.6
175.07539	0.9
175.11205	8.5
176.98915	1.3
178.07768	1.0
179.07068	0.7
181.04973	2.1
181.06465	0.9
181.10146	3.5
182.07326	1.0
184.08899	0.7
189.12732	9.8
193.06609	0.8
193.10359	1.4
193.12285	8.6
197.09734	0.7
197.11790	0.8
199.11195	15.7
201.58704	0.6
207.13799	3.9
209.08122	1.0
210.06841	3.6
210.14940	1.1
213.18764	0.6
217.12244	37.4
221.05998	1.6
221.09688	2.9
225.09190	2.5
235.13289	15.5
238.06262	1.9
253.08595	7.1
253.12256	7.3
253.14522	10.1
253.17120	0.9
253.17995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03942	2.3
55.01868	2.0
55.05507	2.8
57.17432	0.6
65.03928	1.1
67.05511	7.1
69.03451	3.1
69.03767	0.7
69.07074	3.0
71.05000	5.0
72.19537	0.6
76.62769	0.7
79.05499	11.8
81.03414	1.6
81.07058	22.4
83.04993	3.9
83.08637	1.6
85.06545	1.9
91.05492	8.2
93.07051	22.1
95.04984	7.6
95.08612	10.1
97.02917	0.8
97.06531	8.8
98.98473	100.0
99.04449	4.5
100.98867	1.1
103.05476	1.0
105.07043	12.7
107.04945	3.9
107.08591	9.8
109.02920	0.9
109.06520	14.5
109.10152	1.9
111.04463	1.2
111.08104	2.6
113.06012	2.3
116.05975	0.6
116.99467	1.4
117.07009	1.6
119.04975	1.0
119.08611	10.0
121.06513	45.1
121.10145	1.4
123.04449	2.5
123.08074	3.8
123.11712	0.9
125.06016	1.9
125.09649	1.4
127.07558	5.9
128.06277	1.3
129.07014	2.6
131.08589	2.9
133.06508	1.8
133.10146	4.9
135.04475	3.4
135.08057	6.7
135.11713	0.9
135.48183	0.8
137.02359	3.2
137.05991	2.2
139.07547	10.9
141.05481	1.2
141.07021	0.7
142.07813	2.2
143.08618	4.3
145.10138	4.0
147.04428	1.0
147.08073	2.7
147.11703	14.2
149.05981	0.8
149.09671	1.7
151.07571	1.8
151.11151	0.9
153.07057	0.7
153.09129	1.0
155.08534	1.1
156.09373	1.8
157.06497	0.9
157.08774	1.5
157.10147	6.9
161.05974	1.7
161.09634	1.1
161.13266	6.0
163.11215	1.1
163.14818	1.5
165.01836	5.6
165.07002	2.0
165.12811	2.3
166.07828	2.3
171.08006	0.9
171.11697	9.0
173.09601	1.6
174.99232	1.6
175.07553	0.7
175.11223	8.0
176.98911	1.1
177.05376	0.7
177.09198	0.6
181.06544	0.7
181.10120	3.5
184.08881	0.8
189.12775	11.3
193.01413	5.1
193.12260	8.7
199.11200	15.4
207.10095	0.8
207.13794	4.9
209.07944	0.8
210.07019	0.7
217.12256	41.1
221.06015	1.1
235.13293	14.8
235.16934	1.5
238.10382	0.6
253.03381	4.3
253.08690	4.2
253.10870	1.9
253.14296	7.7
253.18172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01869	0.4
55.05505	0.3
56.96570	1.4
57.03424	0.2
57.07070	0.5
61.54980	0.2
67.05503	0.5
69.03429	0.7
69.07062	0.2
69.94353	0.6
69.94765	0.4
70.06592	0.4
71.04984	0.3
73.02921	0.3
73.06554	1.9
77.01627	0.3
79.01299	0.2
79.05493	0.3
80.97401	0.3
81.03413	0.6
81.07060	0.6
83.04962	0.2
85.02913	1.0
91.05499	0.5
93.23716	0.2
95.04966	0.5
95.08634	0.4
97.02881	0.6
98.98470	100.0
100.98901	1.4
105.07045	0.3
109.02861	0.2
109.10216	0.3
110.07166	0.5
110.97594	0.3
112.07628	0.2
116.98676	0.5
116.99508	1.9
119.08639	0.2
120.08141	0.3
123.04396	0.4
127.03998	0.2
128.98633	0.2
129.70432	0.2
132.95816	0.2
136.06163	0.5
137.02368	1.4
141.05469	0.5
143.00159	0.3
146.99652	0.2
147.04509	0.3
150.39981	0.2
151.03943	0.2
151.07549	0.2
153.01855	0.8
158.99667	0.4
163.03880	0.3
165.05615	0.3
174.99246	2.0
176.98936	1.4
178.48964	0.2
179.10675	0.4
180.08858	0.2
186.97008	0.2
197.11783	1.2
208.08427	0.7
229.00218	0.4
237.02803	0.2
240.43857	0.2
245.03223	0.2
253.08379	0.3
253.10611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99309	0.5
53.03941	0.8
55.01867	1.9
55.05504	2.0
56.96301	1.0
56.96568	13.6
57.03429	2.4
57.07076	0.9
58.98005	0.5
59.04999	0.5
59.79165	0.6
60.04537	0.7
60.95863	1.3
61.02925	1.8
67.05514	1.2
69.03432	5.7
69.87550	2.6
70.06600	3.1
70.99856	0.7
71.04976	0.9
73.02927	2.5
73.06554	4.6
74.97640	0.6
79.01857	0.8
81.03416	4.0
81.07045	1.8
83.04958	0.8
83.06134	0.6
84.08185	0.9
84.96042	2.3
85.02908	18.1
87.04475	0.8
87.15928	0.5
91.03952	0.8
91.05484	1.4
93.07037	1.1
95.04974	1.9
95.08608	0.9
97.02892	8.0
98.06055	0.6
98.21485	0.7
98.97610	12.8
98.98471	100.0
99.04463	1.9
100.98894	1.3
101.00883	1.7
102.02259	0.9
102.96889	1.1
103.02441	0.6
103.05479	1.8
106.05026	0.6
107.04947	1.0
109.02894	4.6
109.06519	0.7
110.07172	3.9
110.97597	2.2
111.04430	1.0
112.07599	2.1
112.99148	0.9
116.07033	0.5
116.98628	5.7
116.99511	1.7
118.92057	0.6
119.01930	3.4
119.04939	1.1
120.08113	25.5
121.02854	1.1
123.04413	1.2
124.99133	1.2
127.03951	3.5
127.04785	0.6
128.98586	2.5
131.00220	0.8
131.01904	1.9
132.95825	0.6
133.01682	0.6
133.03481	0.7
133.06432	0.6
134.99675	1.2
136.07614	1.0
136.93066	1.0
137.02304	2.9
137.05992	1.8
139.03984	0.8
141.05460	1.4
143.00162	2.0
143.01855	1.5
144.98080	0.5
145.01755	0.6
145.03479	1.4
145.04935	3.4
146.99619	1.5
147.03278	0.7
147.04431	1.8
150.05551	0.8
153.01837	8.6
153.02975	1.1
154.94173	1.3
155.01956	1.1
155.04665	0.6
156.07651	0.6
157.03508	0.9
158.06599	1.1
158.99693	2.8
159.03044	1.1
161.01263	1.3
161.02960	1.4
163.03984	1.1
169.01871	0.5
170.99677	1.5
172.04721	0.7
172.95319	0.9
173.02979	1.5
174.99127	3.2
176.05832	0.8
176.98991	1.9
177.00528	1.0
180.98209	0.7
185.01302	1.1
185.03004	1.3
188.07713	0.7
189.00812	1.0
193.00111	1.2
194.09294	1.3
194.97246	0.6
195.11246	0.8
196.02983	0.5
197.11787	2.1
198.00665	1.1
199.04555	0.7
200.04434	1.0
201.00743	0.8
202.01219	0.8
203.04028	0.8
207.01772	1.0
210.99246	0.7
211.01059	1.3
211.04739	1.2
212.07726	2.6
214.03267	0.7
219.01797	1.8
223.01385	0.6
229.00166	1.8
230.03523	0.9
230.08804	2.1
230.98114	0.7
235.02834	0.7
237.02760	1.4
248.99321	2.6
249.02869	1.5
253.03880	1.2
253.08359	4.3
253.12109	1.0
253.56044	0.6
254.08911	0.6
254.12570	0.7
254.15039	1.3
257.01376	1.6
267.00137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60002	0.5
51.77435	0.6
54.81556	0.5
55.05525	0.8
59.81643	0.5
60.60825	0.5
70.02969	0.7
71.49170	0.8
75.10587	0.5
79.05486	1.3
81.07053	1.9
87.00829	2.8
91.05482	1.5
93.07046	1.2
94.04072	1.2
96.33877	0.6
98.98477	11.4
103.05470	7.2
118.06550	10.7
119.03562	1.2
120.08114	100.0
128.04990	1.5
136.06197	57.8
137.04579	0.8
146.06023	19.7
148.07591	0.6
160.07545	0.5
166.08636	1.2
188.07080	20.0
192.06523	1.2
206.08141	63.3
234.07567	1.3
234.13535	9.5
244.66156	0.5
252.14565	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60002	0.5
51.77435	0.6
54.81556	0.5
55.05525	0.8
59.81643	0.5
60.60825	0.5
70.02969	0.7
71.49170	0.8
75.10587	0.5
79.05486	1.3
81.07053	1.9
87.00829	2.8
91.05482	1.5
93.07046	1.2
94.04072	1.2
96.33877	0.6
98.98477	11.4
103.05470	7.2
118.06550	10.7
119.03562	1.2
120.08114	100.0
128.04990	1.5
136.06197	57.8
137.04579	0.8
146.06023	19.7
148.07591	0.6
160.07545	0.5
166.08636	1.2
188.07080	20.0
192.06523	1.2
206.08141	63.3
234.07567	1.3
234.13535	9.5
244.66156	0.5
252.14565	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61979	0.4
56.96569	10.5
57.96407	0.5
67.20188	0.4
67.22723	0.4
69.22462	4.4
71.95259	3.0
79.69660	0.5
82.99840	0.5
98.97591	43.0
98.98447	4.4
99.97871	0.7
100.97144	0.5
101.00890	5.3
116.98630	27.3
119.01926	15.0
120.01977	1.1
124.02506	0.8
132.96594	0.4
134.98656	0.9
134.99669	14.5
135.99954	0.5
137.02933	2.6
140.07845	0.4
140.98825	2.9
141.17566	0.4
142.03516	4.8
151.22696	0.5
153.00760	1.8
158.01172	0.5
158.99905	9.9
160.04564	1.8
160.84868	0.5
174.97662	0.9
177.00963	57.4
178.01041	1.3
179.00783	0.6
182.99930	0.9
185.01472	1.5
192.98766	1.0
201.00916	1.1
203.02519	26.0
205.00386	1.0
210.51434	0.5
210.99443	1.4
212.92311	1.3
214.95584	0.5
216.98988	0.7
219.02034	14.2
219.98450	0.4
220.02217	0.7
220.94649	0.6
228.98703	1.4
229.00526	10.6
230.93280	0.7
234.99969	1.1
236.00061	0.7
236.97685	0.6
236.99834	0.7
237.47769	1.9
237.97643	2.5
238.95583	2.6
239.97588	0.5
240.49683	2.1
240.98886	4.2
241.99165	0.9
243.01988	1.8
247.01511	100.0
247.96167	0.9
248.01711	1.7
248.97704	1.7
249.47820	1.2
249.99364	11.5
250.46559	0.5
250.49286	1.4
251.46396	0.7
252.11343	1.0
252.49692	0.6
254.93378	1.7
255.95027	1.1
256.96613	11.4
257.98505	2.5
258.48282	1.8
259.00204	4.9
259.46878	0.9
260.00104	2.5
260.99960	2.0
261.03064	13.4
261.50156	1.3
262.00217	0.7
262.03168	1.9
263.02768	1.2
270.03140	2.4
272.94461	4.8
274.94318	0.9
274.97739	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61979	0.4
56.96569	10.5
57.96407	0.5
67.20188	0.4
67.22723	0.4
69.22462	4.4
71.95259	3.0
79.69660	0.5
82.99840	0.5
98.97591	43.0
98.98447	4.4
99.97871	0.7
100.97144	0.5
101.00890	5.3
116.98630	27.3
119.01926	15.0
120.01977	1.1
124.02506	0.8
132.96594	0.4
134.98656	0.9
134.99669	14.5
135.99954	0.5
137.02933	2.6
140.07845	0.4
140.98825	2.9
141.17566	0.4
142.03516	4.8
151.22696	0.5
153.00760	1.8
158.01172	0.5
158.99905	9.9
160.04564	1.8
160.84868	0.5
174.97662	0.9
177.00963	57.4
178.01041	1.3
179.00783	0.6
182.99930	0.9
185.01472	1.5
192.98766	1.0
201.00916	1.1
203.02519	26.0
205.00386	1.0
210.51434	0.5
210.99443	1.4
212.92311	1.3
214.95584	0.5
216.98988	0.7
219.02034	14.2
219.98450	0.4
220.02217	0.7
220.94649	0.6
228.98703	1.4
229.00526	10.6
230.93280	0.7
234.99969	1.1
236.00061	0.7
236.97685	0.6
236.99834	0.7
237.47769	1.9
237.97643	2.5
238.95583	2.6
239.97588	0.5
240.49683	2.1
240.98886	4.2
241.99165	0.9
243.01988	1.8
247.01511	100.0
247.96167	0.9
248.01711	1.7
248.97704	1.7
249.47820	1.2
249.99364	11.5
250.46559	0.5
250.49286	1.4
251.46396	0.7
252.11343	1.0
252.49692	0.6
254.93378	1.7
255.95027	1.1
256.96613	11.4
257.98505	2.5
258.48282	1.8
259.00204	4.9
259.46878	0.9
260.00104	2.5
260.99960	2.0
261.03064	13.4
261.50156	1.3
262.00217	0.7
262.03168	1.9
263.02768	1.2
270.03140	2.4
272.94461	4.8
274.94318	0.9
274.97739	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
50.62774	0.3
53.03958	0.4
55.05534	1.2
57.07076	4.7
57.07309	0.4
59.05014	0.5
65.52859	0.3
67.05506	3.4
69.07088	1.3
69.42477	0.9
69.42889	1.8
71.05009	0.9
79.05495	3.9
81.03426	0.6
81.07060	3.9
83.05008	0.6
83.08620	1.0
83.11021	0.3
91.05489	2.7
93.07049	2.7
95.04959	0.9
95.08619	4.0
98.98473	100.0
105.07038	4.2
107.08599	9.2
109.06521	0.9
109.10164	3.9
115.05479	0.5
116.99479	1.6
117.07021	1.3
119.08595	4.3
121.06487	0.7
121.10136	3.7
123.08065	1.1
123.11698	1.1
125.09589	0.5
129.06955	0.8
130.07756	0.8
131.08603	2.0
133.10129	2.7
135.08029	0.6
135.11682	1.9
135.89517	0.4
137.09610	0.4
139.03874	0.4
140.01042	0.6
143.08530	1.1
144.09352	0.5
145.09090	0.6
145.10129	8.0
147.11679	2.5
149.09612	2.1
149.13187	0.5
157.10143	0.8
158.10901	0.6
159.11697	4.2
161.05920	0.4
161.13243	0.7
163.11142	0.8
163.14807	0.4
172.12459	0.7
173.13263	0.8
174.99211	3.0
175.14671	0.7
177.16422	3.2
179.08598	0.4
181.10139	0.8
187.13426	0.5
187.14838	5.3
193.08437	0.4
194.10861	0.6
195.10089	3.0
195.11707	0.8
205.16034	1.7
207.11659	0.8
209.13190	1.0
215.14265	0.7
221.13237	0.8
222.13951	0.6
223.14561	0.4
233.15225	0.9
233.18788	0.5
236.15433	0.7
251.04564	1.2
251.09148	0.5
251.16270	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	251.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80197	0.2
53.03933	0.8
55.01873	0.6
55.05512	0.6
57.03447	0.3
57.07072	0.4
59.05011	2.7
67.05512	2.1
69.03439	1.5
69.07068	0.9
69.86883	1.3
71.05003	2.1
77.01598	0.5
79.05495	4.7
80.97449	0.4
81.03424	0.6
81.07064	14.7
82.54365	0.3
83.04985	0.6
85.06566	0.7
91.05489	2.4
93.07060	3.3
95.04986	1.8
95.08615	1.2
97.02897	0.3
97.06539	0.9
98.21411	0.3
98.98473	100.0
99.04459	2.3
105.07042	5.4
106.02905	0.4
107.04984	0.8
107.08578	1.3
109.06526	2.6
109.10176	0.7
111.04448	0.3
111.08045	0.4
113.06015	0.6
115.05455	0.4
116.99501	1.4
117.07015	2.3
117.09145	0.5
119.04932	0.6
119.08611	1.8
121.06519	1.8
121.10169	0.6
123.04465	0.4
123.08064	0.7
125.06009	0.3
125.09758	0.4
127.07581	0.5
128.06236	0.5
129.06981	1.0
130.07820	0.8
131.04941	0.6
131.08578	3.6
133.06540	1.5
133.10149	0.8
135.08066	1.3
135.11725	0.5
137.05966	2.4
137.09637	1.0
139.07550	0.6
141.07028	0.6
143.08588	0.9
144.09367	0.9
145.06503	1.3
145.10141	10.5
147.08095	0.5
147.11739	0.8
149.05984	0.6
149.09602	0.7
151.07539	1.1
152.27673	0.3
153.09196	0.4
155.08617	0.6
157.08734	0.4
157.10117	0.5
158.07365	0.3
159.08084	0.8
159.11694	4.6
161.06059	0.3
163.07607	0.7
163.11205	1.4
165.06958	0.4
165.09117	2.4
169.10100	1.3
171.11665	0.5
172.08907	0.5
173.09650	3.7
174.99231	4.1
177.09229	0.4
177.12816	0.6
179.08479	0.4
182.07259	0.4
187.05199	0.3
187.11191	10.1
187.12851	0.6
189.05547	0.4
189.12811	0.6
190.07817	0.5
191.07028	0.8
191.08635	1.3
191.10712	3.1
197.09669	1.2
203.07004	0.3
205.12247	5.0
215.10692	5.7
219.08130	0.6
233.08157	0.3
233.11722	4.2
233.15370	0.6
236.08347	0.4
251.04796	0.9
251.07040	0.6
251.08989	0.6
251.12704	1.6
251.16414	1.6
251.20308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1805
Annotation	Nupharidine
Peak:m/z	Relative Intensity
53.03944	1.9
55.01865	1.0
55.05500	2.2
57.03448	2.1
67.05516	5.2
68.05032	1.2
68.30897	0.7
69.03432	2.8
69.07056	3.3
70.03743	0.8
70.06570	1.6
70.59486	1.6
70.59829	1.4
71.05009	1.1
75.56926	0.8
79.05492	4.6
81.03415	4.0
81.05804	1.1
81.07067	5.1
83.04986	2.1
83.08633	1.1
85.06539	2.3
91.05488	4.2
93.07057	5.4
94.06574	2.2
95.04980	6.6
95.08598	3.9
96.05308	3.7
96.08143	29.5
97.06525	7.6
98.98477	26.9
99.04413	0.8
99.08100	2.4
103.49967	0.9
105.07037	3.2
106.02916	2.1
107.08629	4.6
108.08104	3.6
108.08827	0.8
109.02860	1.2
109.06526	1.8
109.08920	1.2
109.10175	7.5
110.09745	0.9
111.08088	2.2
112.07593	2.5
114.09185	2.8
115.05432	1.1
117.07037	1.4
119.07315	0.9
119.08582	5.0
121.06506	3.2
121.10150	3.8
122.06023	2.0
122.09672	8.9
123.08062	2.7
123.11713	1.6
124.03967	2.5
124.07573	1.8
124.11239	1.8
128.04329	0.9
131.08568	3.9
133.10129	5.4
134.09668	72.4
135.08066	2.5
135.11656	1.3
136.11208	3.0
137.05997	1.5
137.09628	10.5
139.11179	0.9
145.10129	4.0
147.11682	5.3
148.11244	2.2
149.09702	1.4
149.13274	3.9
151.11104	1.1
152.10727	1.4
154.12294	4.6
155.10735	0.9
157.10225	1.0
158.10936	1.0
159.11687	3.4
160.11188	2.6
162.12804	1.9
163.11108	1.2
166.12303	7.3
173.13292	4.8
174.12781	1.5
174.99287	0.9
175.11183	1.7
177.09140	1.1
177.12817	2.8
187.11269	1.7
190.15953	5.9
191.14322	15.8
191.97881	0.8
192.13841	1.7
207.16272	1.0
208.14166	1.2
208.17007	2.9
214.81732	0.8
215.10672	1.9
215.14255	1.5
217.66370	0.9
232.16980	7.2
233.11826	1.2
233.15352	4.2
250.06934	1.3
250.15639	3.8
250.18050	100.0
251.18449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09529	0.2
56.96603	0.6
57.03467	0.7
64.03464	0.2
67.01875	1.3
69.03468	0.3
70.06571	0.2
70.95287	0.3
70.95626	0.3
71.05032	0.2
78.15860	0.2
81.03436	0.2
85.02914	0.3
88.07658	0.6
94.04099	0.6
97.02946	0.4
98.97686	0.5
98.98474	11.4
103.05492	0.3
105.03426	0.2
108.43034	0.2
110.97569	0.3
111.08071	0.2
116.99458	0.2
117.03437	0.2
119.03568	0.9
121.02856	0.2
128.98630	0.2
131.04958	0.5
136.06194	100.0
137.04575	0.4
137.06580	0.3
149.05919	0.3
162.05476	1.4
163.03889	1.2
174.44225	0.2
174.99242	0.3
175.06314	0.4
178.07242	0.3
186.02145	0.6
191.02762	0.3
193.43585	0.2
204.10239	2.2
206.39108	0.2
218.99475	0.2
232.08292	0.5
237.00630	0.4
244.97371	0.2
250.09232	11.6
250.13216	0.3
250.21538	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01878	0.6
55.05510	0.6
56.96567	2.2
57.03429	1.4
57.41640	0.5
61.02907	0.7
67.05502	0.5
69.03436	4.2
70.06593	2.0
70.14774	0.4
71.05023	0.7
71.41083	0.7
72.93791	0.8
81.03410	1.3
81.07056	0.7
85.02911	19.9
86.09686	0.5
88.07636	100.0
91.05522	0.5
97.02895	3.4
98.97516	1.2
98.98475	43.5
99.04450	1.0
105.07023	0.5
109.02879	2.9
112.02173	0.6
116.98689	0.6
116.99468	0.8
119.98785	0.5
124.03986	0.6
124.96845	0.5
127.03928	3.0
135.04390	0.7
136.06200	23.1
137.02367	0.7
140.01688	0.5
145.04965	2.0
148.04848	0.6
152.04042	0.6
152.96385	0.9
162.05479	1.0
163.03957	1.8
170.97420	1.1
174.99290	1.2
175.06348	0.6
180.95943	0.5
186.02248	1.5
204.03452	0.5
204.10191	2.4
208.03343	0.5
226.96439	1.9
226.98592	0.9
227.02429	0.7
230.01025	0.7
237.00748	0.9
244.97516	1.4
244.99773	1.1
250.04375	1.0
250.09404	2.0
250.11015	0.5
250.12720	2.4
250.21794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.61533	0.8
55.01870	1.1
55.05515	13.2
57.07060	3.7
67.05513	6.2
69.07065	6.8
70.76199	3.0
79.05484	4.3
81.07074	8.2
83.06064	1.0
83.08633	5.7
91.05511	4.7
93.07050	10.0
95.04905	0.9
95.08611	19.3
97.10171	3.8
105.07045	14.6
107.08601	20.4
109.10148	13.3
109.46908	1.0
111.04495	1.0
117.07047	1.2
119.08587	28.0
121.06518	1.1
121.10135	11.1
123.08042	1.6
123.11672	3.1
125.06006	2.2
125.09631	1.4
133.10133	32.5
135.08092	1.2
135.11742	7.9
137.05971	1.2
139.07512	1.5
142.24382	0.9
145.10115	1.6
147.07932	1.0
147.11699	22.7
147.77498	1.0
149.13300	5.4
151.07491	1.0
153.09129	8.7
159.11690	1.8
161.09669	1.1
161.13251	10.4
163.14844	2.2
165.09152	2.2
167.10692	5.8
174.14064	1.7
175.11150	1.8
175.14839	4.0
179.10703	2.5
181.12160	1.2
185.13269	4.1
193.12230	3.7
199.14537	1.0
203.14204	3.7
203.17973	100.0
204.18365	1.5
205.19501	12.1
207.13751	1.1
221.19034	5.8
231.17503	4.7
249.14601	1.1
249.16216	1.9
249.18541	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03939	0.9
55.05515	12.9
57.03429	0.7
57.07068	2.9
67.05503	6.7
69.07069	7.2
71.50704	1.1
79.05497	5.9
81.07053	6.8
83.08618	4.2
91.05487	6.8
93.07054	11.1
95.04972	1.8
95.08610	20.7
97.10170	4.7
105.07030	15.2
107.08589	17.8
109.06493	1.4
109.10157	12.9
111.04411	0.8
117.07030	1.2
119.08585	28.4
121.10149	13.5
123.08063	1.0
123.11716	2.1
125.06007	1.2
125.09554	1.2
131.08554	1.8
133.10135	30.0
135.08051	1.1
135.11688	6.4
137.05983	1.2
139.07552	2.1
139.19658	0.8
145.10139	2.0
147.08081	0.8
147.11687	22.5
149.09587	0.8
149.13261	4.5
151.07523	1.6
151.11220	1.4
153.09108	7.7
159.11725	1.6
161.09587	1.8
161.13260	10.3
163.14818	1.8
165.09149	1.5
165.12830	0.8
167.10701	7.3
173.13086	0.7
174.13979	1.2
175.11188	1.5
175.14841	3.0
179.10678	2.8
181.12306	0.9
189.16394	0.8
193.12289	2.5
201.16241	0.8
203.17966	100.0
204.18304	2.3
205.19551	7.5
207.02896	0.9
207.13710	1.5
213.16441	0.8
219.11795	1.0
221.19012	6.0
231.17369	4.7
249.14638	1.2
249.16641	0.9
249.18533	20.5
249.22345	1.0
253.95912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
54.11013	1.0
55.05266	1.4
55.05515	13.3
57.07080	3.3
58.77349	0.9
67.05499	6.8
69.07072	9.3
70.84963	2.1
70.85306	1.3
71.08643	1.0
79.05499	7.8
81.07069	8.4
83.08618	5.7
91.05495	5.4
93.07050	14.6
95.04971	1.2
95.08616	21.7
97.10193	5.0
105.07042	14.9
107.08606	20.2
108.92518	0.9
109.06519	1.7
109.10171	16.0
114.77115	1.1
119.08591	25.9
121.10159	14.2
123.08110	0.9
123.11716	2.7
125.09650	1.8
131.08551	1.4
133.10139	32.7
134.10486	2.6
135.11717	8.2
137.05968	1.3
139.07547	1.1
143.08566	2.2
145.10184	2.2
147.08076	1.4
147.10524	1.7
147.11694	23.9
149.09586	1.0
149.13249	5.7
151.11176	1.1
153.09129	7.1
157.10155	1.2
159.11703	2.2
161.09641	1.5
161.13301	10.9
163.14819	1.9
165.09152	2.7
165.12796	1.4
167.10680	8.8
173.13222	1.0
175.14848	5.2
179.10724	4.1
185.13257	3.3
189.12793	1.0
193.12244	3.3
203.17978	100.0
205.19548	9.8
213.16435	2.8
221.18967	5.7
231.17412	5.7
249.14673	2.2
249.16270	1.6
249.18523	24.2
249.22232	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1489
Annotation	[3aR-(3aalpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03941	3.2
55.01871	2.3
55.05525	9.8
57.03442	1.0
57.07059	3.8
57.62751	0.9
65.03938	1.8
65.08719	1.0
67.01875	7.6
67.05513	22.5
69.03442	15.6
69.07076	8.4
70.06583	1.2
70.87111	1.1
71.04993	1.6
71.49850	1.0
77.03951	1.1
79.05069	1.6
79.05496	16.1
81.03407	4.4
81.07060	17.0
83.04988	7.3
83.08606	4.5
87.04472	1.1
91.05488	30.3
91.25879	1.1
93.06492	1.6
93.07061	22.8
95.04386	1.2
95.04981	19.4
95.08068	1.4
95.08619	16.1
97.02872	1.4
97.06517	4.2
97.10152	1.5
99.04468	1.0
99.08072	1.3
100.90930	1.0
103.05448	1.6
105.03394	4.2
105.04533	1.1
105.07052	15.7
107.04971	4.7
107.08609	15.1
108.08058	1.0
109.02901	6.5
109.06519	7.9
109.10159	9.6
110.07293	1.7
111.04426	4.6
111.08099	4.7
115.05459	3.0
116.06252	2.0
117.07052	6.5
119.04963	3.3
119.08592	41.5
121.06522	7.2
121.09348	1.2
121.10161	14.0
123.04481	1.2
123.08061	4.5
123.11702	2.3
125.05992	1.2
125.09640	1.5
128.06166	2.1
129.07018	6.5
131.08571	7.6
133.06502	5.2
133.10149	14.8
135.08047	6.2
135.11694	3.8
137.05965	5.3
137.09636	6.4
142.07777	1.3
143.08572	5.5
145.06453	1.8
145.10129	7.4
145.60710	1.0
147.04353	2.4
147.08060	100.0
147.11720	7.9
148.08366	1.1
149.09593	5.1
149.13278	1.7
151.03918	1.5
151.07533	2.0
152.14326	3.2
153.01817	1.7
156.09312	2.0
157.10147	5.5
159.08072	1.7
159.11684	4.1
161.05960	2.6
161.09622	6.8
161.13234	7.0
163.07663	1.0
163.14812	1.1
165.05516	3.2
165.07014	1.6
165.09048	1.7
170.10855	1.5
171.11711	6.3
173.05916	1.0
173.09602	1.2
173.13330	1.6
174.10472	1.5
175.07571	14.5
175.11264	1.5
175.14835	6.3
177.91548	1.1
179.03421	1.5
179.08453	1.2
179.10701	1.1
185.09712	1.7
185.13275	13.0
187.14810	1.3
189.09125	4.0
189.12785	9.5
189.16406	1.7
193.04951	1.4
193.10220	2.4
193.12125	1.3
194.05698	1.5
195.11795	1.2
203.07126	1.3
203.10577	2.1
203.14343	14.8
203.17960	10.1
205.19473	1.4
207.02896	2.3
207.11768	1.9
207.13794	1.5
213.12727	7.1
213.16367	3.5
219.11902	1.4
221.18889	1.4
231.06624	1.3
231.10168	3.5
231.13869	22.3
231.17462	4.2
234.13989	3.2
249.03954	4.2
249.07613	4.4
249.11177	4.0
249.14754	20.2
249.18571	17.1
249.22852	1.9
249.25188	10.5
267.09146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
52.81865	0.5
53.03950	0.7
54.34489	0.5
55.05512	3.9
60.18240	0.5
67.05506	1.3
69.07074	2.9
69.53890	1.5
69.54299	2.5
79.05482	2.4
81.07058	7.0
83.08620	0.7
84.57326	0.5
85.06538	0.8
91.05490	3.9
93.07048	4.1
95.04974	1.4
95.08612	5.6
97.10199	0.6
105.07038	10.7
107.08591	5.5
109.06515	2.2
109.10150	1.2
113.63016	0.5
117.07014	1.2
119.08588	11.0
121.06514	1.7
121.10123	2.6
128.06216	3.1
129.07028	5.2
131.08568	9.0
133.06506	1.1
133.10129	5.7
135.08064	1.0
135.11688	1.7
142.07802	1.5
143.08565	23.0
144.09311	1.7
145.10124	7.1
147.08032	2.3
147.11700	2.4
153.09134	1.0
155.08583	1.5
156.09392	1.3
157.10144	11.9
159.11719	1.4
161.09619	2.3
161.13260	2.2
165.06981	0.6
168.09465	0.9
169.10106	1.1
170.10899	4.9
171.11661	1.3
175.14821	13.8
177.16417	1.5
183.11678	2.7
185.13263	100.0
186.13626	1.6
187.14812	3.4
189.16444	0.9
193.15944	1.1
195.11745	1.0
203.14330	58.1
203.18002	2.2
204.14618	1.2
207.11676	1.1
213.16289	0.7
219.11620	1.4
221.15421	1.0
231.13753	4.2
231.17456	1.1
249.14723	15.6
249.18666	3.0
252.46094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Ophioceric acid
Peak:m/z	Relative Intensity
52.31554	0.8
55.05514	5.9
57.07111	0.9
67.05231	0.7
67.05547	3.1
69.07076	3.5
70.50819	2.2
79.05508	4.3
81.07063	14.0
83.08640	1.9
84.22554	0.7
91.05467	4.0
93.07056	7.2
95.05029	0.9
95.08606	9.3
97.06584	1.2
97.10239	0.9
105.07035	20.7
107.05003	0.9
107.08617	6.8
109.06535	6.2
109.10202	2.0
115.05486	1.1
117.07072	2.2
119.08594	16.7
119.09377	1.2
121.10132	4.2
121.81258	0.7
123.11691	0.8
128.06274	3.4
129.07030	4.6
130.07881	0.9
131.08553	7.8
133.06488	1.8
133.10146	11.0
134.24474	0.7
135.11697	3.5
137.09607	0.9
142.07811	3.0
143.08565	24.4
144.09343	1.4
145.10135	9.7
147.08107	2.6
147.11685	5.3
147.71065	0.8
149.09659	0.9
153.09192	1.0
155.08583	2.4
156.09386	1.7
157.10135	12.7
159.11743	3.4
161.09631	4.9
161.13280	3.2
165.06927	1.0
170.10931	8.8
171.11775	0.9
173.13281	1.5
175.11354	0.9
175.14844	32.4
177.16394	4.4
183.11743	2.2
185.13268	89.7
186.13617	0.9
187.14764	1.4
193.15939	1.5
194.55505	0.7
203.14325	100.0
203.18234	2.1
204.14616	1.0
207.11560	0.7
213.16397	1.2
219.11787	0.8
221.15421	1.7
231.13817	2.4
231.17403	1.7
249.03789	1.8
249.14833	39.7
249.18484	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	249.1485
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
55.05573	4.1
57.07124	0.7
59.89957	0.5
67.05579	1.8
69.07071	5.9
69.54452	2.3
69.54869	1.3
73.88333	0.5
79.05494	3.9
81.07057	6.8
83.08703	0.9
85.06630	1.0
91.05488	3.5
93.07059	5.3
95.05032	1.3
95.08618	4.5
98.20714	0.8
99.08131	0.7
105.03385	0.8
105.07040	12.3
107.08600	7.2
109.06607	2.2
109.10155	2.6
111.08140	0.6
115.05528	0.7
117.07050	1.4
119.08591	22.4
121.06562	1.0
121.10162	3.7
123.08178	0.6
123.11770	0.6
128.06210	2.8
129.07013	4.6
129.07843	0.6
130.07834	0.6
131.08583	10.1
133.06557	1.8
133.10149	7.8
135.08078	2.5
135.11742	1.9
137.06038	0.8
139.07573	1.0
141.07039	0.6
142.07832	2.2
143.08572	21.8
144.09369	1.2
145.10135	9.7
147.04472	0.7
147.08084	2.5
147.11726	3.0
149.09641	1.0
150.10353	0.8
151.07639	1.1
153.09082	3.8
155.08597	1.5
156.09387	1.5
157.10152	10.1
159.11708	3.5
161.09654	2.6
161.13297	3.1
165.09143	1.0
169.10136	0.9
170.10898	4.4
171.11745	1.4
173.13176	0.7
175.07562	1.0
175.11266	1.2
175.14839	16.2
177.16403	1.7
179.10678	0.6
183.11739	1.9
185.13271	100.0
186.13725	0.6
187.14854	5.0
193.12361	0.6
193.15965	0.8
195.11700	1.0
203.14331	50.1
203.18118	4.4
204.14688	0.6
207.02774	0.7
207.11768	0.8
213.12726	0.9
213.16461	0.9
219.11598	0.9
221.15247	0.9
231.13832	5.9
231.17403	1.4
249.03905	1.5
249.07373	0.8
249.14769	24.2
249.18570	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	249.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75924	0.9
55.01872	1.1
55.05523	1.2
56.96548	2.1
67.05514	1.4
69.03415	2.9
70.98540	2.4
72.04168	1.5
72.04522	17.5
79.05499	1.1
81.03413	1.6
84.95988	0.9
85.02886	3.9
91.05478	2.8
95.04946	1.5
97.02900	2.0
98.97571	2.9
99.29108	0.9
103.05451	2.0
105.07037	1.7
111.04399	1.3
115.05457	4.0
116.98623	1.1
117.05755	3.4
117.07021	4.2
118.05045	24.1
118.06536	36.8
123.04408	2.8
127.03952	1.9
130.06497	2.2
131.04903	2.2
132.08092	83.0
133.06500	2.1
136.06169	3.6
137.02350	1.8
142.06479	2.9
143.04955	1.4
143.07304	3.1
144.08092	20.5
146.06013	84.7
147.04404	1.6
148.05225	1.1
151.03893	2.9
152.12239	0.9
153.98465	0.9
160.07607	1.6
161.05957	4.1
161.09612	1.7
162.05534	1.7
162.26390	1.0
170.05977	5.1
175.03954	1.2
175.07521	1.2
177.05426	1.2
188.07071	100.0
189.00621	1.1
189.05402	2.0
189.07407	1.2
189.09067	1.2
191.07022	3.3
203.03357	1.2
203.07106	3.0
203.11829	5.1
204.10229	2.1
205.05042	1.2
207.03110	1.1
207.06512	1.1
217.04895	1.1
231.02933	1.5
249.03850	2.9
249.07529	11.4
249.12393	17.8
249.14915	2.0
249.18425	1.1
250.10698	1.6
250.13019	2.4
255.99333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03948	2.7
55.01867	3.0
55.05511	1.4
57.03423	1.6
59.04992	0.9
67.05495	2.5
69.03436	9.3
69.07074	1.4
71.04978	1.5
71.48623	0.6
71.49028	0.7
73.02911	0.9
77.03933	0.8
77.94535	0.6
79.05502	9.6
81.03434	5.3
81.07063	2.0
85.02911	9.9
87.00833	5.1
91.05489	9.7
93.07043	1.3
95.04976	3.7
95.08591	0.8
97.02893	5.9
97.06534	2.4
99.04457	2.6
103.05482	2.3
105.01879	1.7
105.03402	2.3
105.07037	4.8
107.04958	13.3
107.08622	1.4
109.02891	3.4
109.06551	1.4
109.10165	1.0
115.05463	5.1
116.06240	2.9
117.07014	3.7
119.04941	3.2
119.08584	3.2
121.06509	1.8
123.04473	1.7
123.08083	1.0
124.07568	0.7
126.15178	0.7
127.03931	6.3
128.06242	11.3
129.07013	19.4
130.07784	1.7
131.04926	2.4
131.08577	18.0
133.06558	3.5
133.10121	2.4
135.04439	12.4
137.05994	1.9
137.09680	1.0
141.05421	0.9
141.05930	0.8
141.06990	9.0
142.07809	5.4
143.04942	1.5
143.06046	0.7
143.08617	4.1
144.05716	8.2
145.06537	5.2
145.07478	0.9
145.10153	1.4
146.07335	4.0
147.04422	2.7
147.08090	1.4
147.11685	1.2
149.06020	0.9
149.09474	0.8
151.03955	0.8
151.07532	3.0
152.06212	1.7
152.08328	1.4
153.07019	2.2
155.06032	1.4
155.08638	0.7
156.05710	2.5
157.06516	9.1
157.10130	1.9
158.07257	2.2
159.08067	26.4
159.11736	0.9
160.05186	2.3
161.06010	5.0
161.09654	9.2
165.09122	2.7
169.06389	1.6
169.07718	3.6
170.07298	8.9
171.04424	1.5
171.08054	6.8
172.05153	2.7
172.08922	0.9
173.05997	4.2
174.06810	2.6
175.07558	3.8
177.05486	0.9
177.09109	0.9
177.43163	0.7
182.56335	0.7
185.05930	1.0
185.09677	4.5
185.13246	0.9
186.06779	1.5
187.07542	18.0
188.08319	1.0
189.05461	2.7
189.09120	14.9
190.06154	1.7
191.07021	1.8
192.07938	0.9
193.08577	0.8
198.06699	1.5
199.07512	3.0
201.05463	2.2
203.07034	5.9
203.10660	2.1
203.14270	1.9
204.07863	9.8
205.08572	2.5
206.09412	0.8
213.09117	3.2
216.07796	3.3
218.09294	0.9
219.10202	2.4
221.08084	1.0
221.11679	3.5
231.06653	0.9
231.10190	7.3
231.13696	1.7
234.08925	1.3
249.04161	1.7
249.11247	100.0
250.11542	0.9
263.57672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01864	3.1
55.05516	6.9
56.96569	65.0
57.03442	8.6
57.07079	1.5
58.96172	1.5
59.04996	2.2
60.95849	1.4
61.02934	10.3
67.05514	1.7
69.03439	12.7
69.07068	1.2
70.03751	0.9
70.06604	2.0
70.57294	2.1
70.98118	5.7
71.04986	2.8
71.95255	1.7
72.08128	1.0
73.02922	10.1
73.06561	7.4
74.06102	1.2
74.97603	2.3
81.03431	6.5
81.07041	2.2
82.99859	1.6
83.04993	2.1
84.08128	1.6
84.96044	10.5
85.02910	23.3
86.09708	1.1
87.04484	2.4
88.99152	1.6
90.01585	1.2
91.05467	1.0
94.72292	0.8
97.02314	1.5
97.02905	18.0
98.03259	1.2
98.97594	100.0
99.04456	2.9
99.74026	0.9
100.39812	0.8
100.99162	10.8
101.00890	13.9
102.96851	1.4
103.00595	1.6
103.02454	2.5
107.04954	1.0
109.02911	4.4
110.01293	1.8
110.03151	1.4
110.07185	1.2
110.97581	10.0
111.02911	1.2
112.07649	1.9
112.99132	5.9
113.00896	1.5
113.02447	1.6
114.83478	1.1
115.00670	2.0
115.02410	1.8
115.03892	1.2
116.98627	41.2
117.03946	1.2
118.00987	0.9
119.00208	10.2
119.01916	28.7
121.01684	3.7
121.02801	1.0
124.99146	7.4
127.00707	2.3
127.03934	6.4
128.02319	2.0
128.98619	11.3
129.00288	1.2
129.02139	1.9
129.03981	2.4
130.08635	2.4
130.98195	0.9
131.00214	6.5
131.01913	4.8
131.05579	1.1
132.35890	0.9
133.01701	1.7
133.03471	2.5
133.06496	1.3
133.10228	1.2
134.06070	1.7
134.99658	9.9
135.04419	1.9
137.01224	1.6
137.02954	2.9
138.03468	1.3
140.98628	2.2
143.00195	17.6
143.01880	9.0
144.98105	3.2
145.01711	7.4
145.03465	4.4
145.04961	2.5
146.02374	1.2
146.04131	5.5
146.99673	6.4
147.01372	3.3
147.03299	6.5
147.04367	2.0
149.01218	4.4
149.06601	1.6
150.96906	1.3
150.99088	1.2
151.03867	1.1
152.04156	1.9
153.00679	1.5
153.01875	3.6
153.04030	1.4
154.02063	1.3
155.01923	3.3
155.04665	49.1
155.54831	2.0
157.03470	3.4
158.99672	28.5
159.01103	2.1
159.03247	1.4
160.03812	1.2
160.06578	3.3
161.01237	12.8
161.02965	13.2
161.04671	2.3
161.09604	1.1
162.05511	1.3
162.99129	3.4
163.02766	15.7
163.03966	2.0
164.05191	8.2
164.55247	1.0
165.00740	3.6
165.04350	3.1
166.55476	2.2
168.03606	3.6
168.05521	9.3
169.04402	5.1
170.99666	4.1
171.01372	1.2
173.01216	4.2
173.02931	3.9
174.04520	1.6
174.99187	2.1
175.02789	1.2
175.04509	2.0
177.00731	26.0
177.02415	5.4
177.04150	3.3
177.05910	5.2
179.02083	3.1
181.03755	5.3
182.03403	4.0
182.99600	1.1
183.05064	1.2
185.01239	1.8
185.02960	2.7
186.04370	2.6
186.99196	1.4
187.02754	2.3
189.00832	11.6
189.02449	5.9
189.04173	8.8
190.03009	1.1
190.98763	1.2
191.02263	2.1
191.03943	6.1
191.05675	2.0
193.00105	1.5
195.01674	1.2
200.04443	1.7
201.00761	3.0
202.98642	1.1
203.02196	2.3
203.04037	1.4
204.02852	2.5
204.04788	1.4
205.00227	3.7
205.03647	2.2
205.05467	2.8
207.01897	8.1
207.03499	1.5
207.05402	22.8
209.03157	1.0
212.07808	1.4
213.00706	1.3
214.07610	1.9
217.00351	1.2
217.05537	1.1
219.01695	4.5
219.05215	5.5
221.05003	2.6
223.01167	4.5
225.02863	3.0
225.06235	1.8
226.05681	2.1
230.98163	1.3
231.03455	2.4
232.03804	1.6
233.05176	1.1
237.02933	4.8
240.05489	1.0
245.05215	1.4
248.99208	7.1
249.02611	3.3
249.04668	2.5
249.06392	14.1
249.18460	1.1
250.07169	1.4
252.05002	1.2
255.03868	2.1
267.00208	2.3
267.03748	3.8
267.07227	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51213	5.6
52.55696	5.9
53.03941	17.9
55.01870	10.0
55.13962	5.9
57.03429	16.8
62.35372	5.6
69.03087	9.3
69.03439	93.8
69.79124	32.3
71.04967	10.2
79.05477	10.6
81.03432	65.1
81.07040	11.0
85.02915	100.0
87.00822	55.5
90.25372	7.1
91.05484	5.6
95.05000	27.7
95.08627	8.1
97.02905	66.2
98.21503	10.7
99.04469	33.6
105.01884	19.4
105.03371	18.8
105.07042	14.5
107.08587	9.9
109.02876	28.9
111.08125	7.3
117.07059	6.9
119.08649	13.3
119.24535	6.9
124.07562	9.3
126.09170	7.9
127.03931	64.5
133.10085	10.3
147.04385	10.3
175.07486	7.5
175.13065	5.4
185.13420	5.9
189.09181	6.8
189.12839	6.5
191.07066	7.9
205.08571	7.2
213.16429	7.9
221.08047	6.2
231.13870	9.6
249.03763	7.5
249.07547	6.6
249.11279	15.5
249.14932	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49595	15.1
68.18471	17.4
70.00092	31.0
70.00484	34.9
98.86195	14.9
107.51331	17.3
114.18566	16.2
116.98440	17.1
127.89602	14.5
151.90645	16.5
206.88663	23.0
217.22052	15.3
249.03741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01878	5.8
55.05505	1.6
55.31686	1.1
57.03431	5.2
61.02925	1.5
67.05495	2.6
68.99779	1.2
69.03436	26.7
69.07069	2.0
69.72308	2.7
69.72717	3.2
71.04982	2.1
73.02905	1.6
79.05498	14.9
81.03422	17.5
81.07039	2.5
83.04958	1.4
85.02909	30.1
87.00835	12.5
91.05488	10.3
93.07042	4.3
95.04962	6.6
95.08627	1.7
97.02899	16.6
97.06542	2.4
99.04462	8.6
101.02383	1.8
102.37567	1.0
103.05453	2.8
105.01882	5.7
105.03410	6.2
105.04518	1.5
105.07039	8.2
107.04958	23.1
107.08585	3.1
109.02873	11.8
109.10137	1.2
115.05450	8.2
116.06236	4.5
117.07007	4.5
119.04940	4.6
119.08583	4.1
121.06469	1.8
121.10108	1.1
123.04446	2.9
127.03926	17.7
128.06258	9.5
129.01842	1.1
129.07010	22.2
130.07832	1.1
130.51555	0.9
131.04935	5.1
131.08580	20.6
132.05716	1.4
133.06482	4.2
133.10133	3.7
135.04424	19.5
137.05965	2.3
141.05475	2.1
141.06998	10.3
142.07793	6.9
143.04890	1.8
143.08563	5.7
144.05734	9.7
145.05002	3.0
145.06500	7.7
145.10077	2.2
146.07239	3.3
147.04385	4.5
147.08102	2.6
147.11656	1.6
149.06003	1.5
151.07570	1.9
153.07040	1.9
155.06012	3.1
156.05669	1.5
157.06485	9.2
157.10147	2.8
158.07272	3.5
159.02881	1.2
159.08067	27.2
159.11755	1.7
160.05139	3.1
161.05998	8.4
161.09633	9.0
161.13287	1.3
163.07527	1.4
167.07140	1.6
167.08554	2.1
169.06424	2.0
169.07632	2.9
170.07300	7.8
171.04314	1.4
171.08055	9.8
172.05206	3.7
173.05966	4.6
174.06769	3.3
175.07556	5.5
178.06178	1.3
185.06021	1.4
185.09650	9.5
186.06735	1.5
187.07550	18.8
188.08304	1.5
189.05450	3.8
189.09106	20.3
189.12755	1.4
190.06207	1.3
191.06970	1.5
198.06865	1.9
199.07545	2.5
201.05562	1.7
203.07039	5.9
203.10670	3.6
203.14351	1.4
204.07832	12.5
205.08594	2.8
207.13812	1.2
213.09064	5.3
216.07851	3.4
219.10120	2.3
221.08160	1.3
221.11722	3.2
231.10172	11.3
231.13840	2.0
249.03966	3.0
249.07297	4.1
249.11244	100.0
249.15247	6.1
257.79013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1643
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
53.00599	0.2
67.05492	0.3
70.37843	0.5
81.03434	0.4
81.07048	0.3
91.05481	0.7
98.21434	0.4
105.03409	0.4
105.07047	0.3
117.05787	0.4
118.06554	5.2
119.04930	0.5
119.07336	0.2
120.08138	0.4
121.06525	0.3
131.04971	0.5
131.07327	0.3
132.08084	2.4
133.08908	0.6
134.09668	0.7
144.08159	0.5
146.09668	2.1
147.04422	0.8
152.40422	0.2
159.04443	1.0
160.11230	0.7
161.13179	0.2
174.12794	1.2
175.03935	0.4
176.14360	12.9
190.08652	12.4
191.09120	0.2
192.77151	0.2
193.04984	0.9
202.15924	2.4
203.16690	1.0
204.10228	6.7
204.13904	0.4
205.04987	0.8
205.11005	1.7
218.11766	4.8
221.04401	0.4
225.04013	0.3
232.13312	0.5
248.16481	100.0
249.03915	0.8
249.16805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05511	1.4
56.96568	28.8
57.03431	2.0
61.02924	2.3
69.03442	2.7
70.98129	4.2
71.05002	1.2
71.48458	1.2
71.95251	3.0
72.96040	2.0
73.02912	2.3
81.03412	1.0
84.08144	1.3
84.96050	2.0
85.02910	5.5
86.09706	4.7
87.04449	0.7
88.99169	1.4
95.32560	0.6
97.02894	3.4
98.97588	100.0
101.00882	5.3
102.00957	3.4
102.96933	0.8
103.00625	1.6
109.02936	0.9
110.97574	3.0
112.99165	1.1
113.00856	1.3
115.00696	1.5
115.02434	1.5
116.00244	2.3
116.02525	1.0
116.98626	31.4
118.71736	0.8
119.01932	5.1
119.02671	1.0
120.02019	4.4
121.01684	1.2
124.00757	0.7
126.02307	1.3
127.00726	0.7
127.03913	1.8
128.98630	3.7
130.04019	0.7
131.00160	1.1
131.01903	1.5
132.10208	0.7
133.01672	1.0
133.03458	1.2
134.03549	1.2
134.99648	6.4
140.00206	0.9
140.03860	1.2
142.05400	1.6
143.00130	0.9
143.01875	2.1
144.01985	1.0
145.01649	1.7
145.03448	1.8
145.04970	0.9
146.99678	3.2
147.01396	0.7
147.05051	1.5
150.05476	1.1
154.03896	2.1
155.01851	1.2
155.04599	0.8
157.03485	1.1
158.04893	3.0
158.99701	3.2
159.01003	0.6
160.06450	2.3
161.01202	1.2
161.02953	2.2
162.03185	1.0
163.04401	1.2
165.00674	0.9
168.03578	0.7
169.99979	1.9
170.04961	1.9
170.99704	0.8
171.03310	3.4
173.02924	1.1
174.03004	0.6
175.00873	0.9
175.04506	1.1
177.00739	1.6
183.01483	0.9
185.03001	0.9
185.06660	0.7
187.00792	0.6
187.04460	0.9
188.01027	1.9
188.02588	0.9
188.05972	2.8
189.00696	2.1
189.03278	0.6
189.04465	5.8
197.99413	0.7
200.03110	0.8
201.00732	1.0
201.02457	1.1
202.02728	0.9
205.00136	1.0
206.02098	0.8
206.07007	8.0
207.01717	2.7
207.05357	1.8
212.06036	1.3
213.04427	0.8
216.00443	3.8
224.01811	0.6
224.08069	5.8
230.07019	29.9
230.98006	0.7
231.05386	2.1
248.05479	1.4
248.08069	38.9
248.99240	1.0
260.01297	0.6
266.09131	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05509	5.1
57.07074	1.3
61.03465	1.0
65.20039	1.1
67.05502	4.8
69.07067	4.3
71.02180	2.6
79.05503	4.1
81.07067	5.6
83.08642	2.6
85.69742	1.0
88.33002	1.2
90.24519	1.0
91.05487	8.1
93.07058	13.6
95.08627	12.1
102.20791	1.1
105.07047	19.3
107.08601	17.6
109.06514	2.0
109.10159	3.4
117.07008	2.8
119.08587	29.5
121.10145	6.3
123.11749	1.3
129.07074	1.5
131.08592	18.7
133.10152	33.0
135.11635	1.1
143.08580	1.8
145.10141	31.8
147.11707	7.2
149.06036	1.7
151.07562	1.8
153.09056	1.3
157.10133	2.6
158.89720	1.0
159.11716	25.1
161.13275	5.2
163.07603	6.6
165.09152	1.8
171.11690	1.4
172.12524	2.0
172.81032	1.2
173.09709	3.1
173.13306	10.1
175.14914	1.3
177.09125	19.2
186.14049	3.8
187.11237	2.0
191.10686	3.7
199.14726	1.9
201.16411	100.0
203.16339	1.3
203.17848	6.1
219.17479	4.3
223.89803	1.2
229.15889	9.3
238.66565	1.2
247.16974	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.79352	0.4
53.03931	0.8
55.01868	0.9
55.05514	3.7
57.07060	1.1
67.05512	3.3
69.03443	0.7
69.07069	3.2
71.50233	0.7
79.05482	3.0
81.07056	6.4
83.04999	1.0
83.08600	0.9
91.05482	5.8
93.07047	10.3
95.08605	6.3
97.10181	0.9
105.07038	10.8
107.08598	11.7
109.06544	0.9
109.10132	3.3
111.08065	0.5
115.05453	1.3
116.06251	0.7
117.07037	3.4
119.08586	17.1
121.06482	0.7
121.10149	5.8
123.11728	1.2
125.05930	0.9
128.06239	0.6
129.07004	1.9
130.07790	1.2
131.07605	0.9
131.08574	14.6
133.10139	12.7
135.08047	0.8
135.11703	1.0
139.07555	1.2
141.06963	1.0
142.07742	0.7
143.08563	1.8
144.05699	1.1
144.09355	1.3
145.06459	0.6
145.10135	23.1
146.10905	0.7
147.08052	0.9
147.11693	3.9
148.15607	0.5
149.06012	0.8
149.09656	1.1
151.07558	1.4
156.05716	1.0
157.06467	1.0
157.10161	1.4
159.08078	3.2
159.11700	18.3
161.13264	3.7
163.07568	2.5
165.09174	0.8
169.10123	0.5
171.11693	1.4
173.09677	1.2
173.13245	7.1
175.07542	1.1
175.14818	1.1
177.09145	2.6
179.10606	1.0
186.14050	6.5
187.07594	2.6
187.11226	2.8
187.14810	1.9
191.07027	1.0
191.10663	0.9
201.16394	100.0
202.16710	1.1
203.07082	0.9
203.17987	3.5
205.12262	1.0
211.14871	0.6
215.07040	0.9
217.08527	1.2
218.09268	0.8
219.10129	0.8
219.17506	2.8
229.08638	0.5
229.12190	1.3
229.15906	4.5
229.19435	0.6
247.07539	0.7
247.09802	2.4
247.13254	2.1
247.16954	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05512	1.8
57.07070	0.5
67.05496	1.7
68.96285	0.4
69.03465	0.4
69.07078	4.4
69.47897	3.2
71.08630	0.3
79.05510	2.0
81.07067	4.0
83.08616	1.0
87.73776	0.4
91.05486	3.9
93.07043	5.2
95.04987	0.4
95.08616	6.1
95.16864	0.4
97.06572	0.5
103.05497	0.4
104.20509	0.4
105.07047	7.6
107.04957	0.5
107.08599	5.7
107.97728	0.4
109.06506	0.7
109.10162	2.1
115.05464	1.6
116.06258	1.4
117.07022	2.9
119.08578	7.0
121.02840	0.5
121.06506	0.6
121.10139	2.9
123.11673	0.7
127.09064	0.4
128.06253	0.8
129.07021	3.8
130.07765	1.1
131.04994	0.7
131.08578	14.4
133.06509	0.5
133.10150	7.2
135.08083	0.7
135.11728	1.0
141.06989	1.9
143.08585	1.1
144.05725	3.7
144.09381	0.8
145.06506	1.0
145.10138	20.4
147.11670	2.7
149.05991	0.6
149.09612	0.6
149.13258	0.6
155.08710	0.4
156.05707	2.3
157.06491	1.4
157.10062	1.0
158.07300	1.1
159.08067	6.0
159.11703	9.4
159.86594	0.4
160.05188	0.8
161.06035	0.6
161.09599	1.1
161.13258	1.8
163.07585	0.5
166.12579	0.4
169.06406	0.5
169.07689	0.8
171.11700	0.7
172.05273	0.7
173.05994	0.5
173.09602	1.4
173.13304	4.6
175.07529	1.3
175.14845	0.5
177.09157	1.0
179.10657	2.6
184.05048	0.4
185.13293	0.5
186.06831	1.1
186.14075	1.2
187.07571	6.4
187.11211	1.5
187.14850	1.1
189.05484	0.7
191.06886	0.4
191.10683	1.4
201.16397	100.0
202.16708	1.1
203.07005	1.1
203.17986	1.9
204.07742	0.4
211.14871	0.6
215.07028	1.6
217.08563	4.1
217.10083	0.4
218.09273	0.8
219.08080	0.8
219.10158	1.1
219.17444	4.2
229.12302	0.7
229.15889	1.4
247.02472	0.7
247.05638	0.5
247.07587	0.7
247.09706	5.9
247.13150	1.1
247.16953	26.8
247.24165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.93084	0.4
55.05492	1.2
57.07070	0.7
59.11602	0.4
60.90870	0.4
61.01156	0.4
67.05486	1.6
69.07074	3.6
71.49953	0.4
79.05502	2.0
81.07066	3.7
83.08598	0.8
83.60899	0.4
83.92886	0.4
91.05502	3.1
93.07034	3.9
95.08614	4.9
98.98425	0.4
105.07034	6.2
107.08599	5.7
109.06502	0.5
109.10154	2.3
115.05394	0.4
117.07018	1.9
119.08590	6.4
121.06472	0.5
121.10155	1.8
129.07021	1.2
129.56784	0.4
130.07765	0.9
131.08568	11.3
133.10135	6.1
135.11670	0.5
141.07054	0.4
142.01175	0.4
143.08556	0.6
144.05647	0.5
144.09274	0.5
145.06470	0.5
145.10135	21.0
147.11737	3.2
149.09567	0.8
151.87352	0.4
156.05748	0.7
157.10167	0.9
159.08081	1.9
159.11697	7.9
161.09633	0.7
161.13248	1.5
163.11157	0.7
171.11740	0.8
173.09642	0.8
173.13243	5.4
175.03902	0.4
177.09123	0.8
179.10709	2.5
183.11726	0.7
185.13298	0.4
186.14052	1.4
187.07549	1.1
187.11256	0.8
187.14868	0.8
191.10706	1.9
199.14789	0.4
201.16396	100.0
202.16750	1.6
203.12416	0.4
203.17998	3.1
215.06934	0.4
217.08699	0.9
219.10185	0.6
219.17461	4.2
229.15909	1.5
243.38647	0.4
247.09718	1.2
247.16960	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05509	10.4
67.05497	6.8
68.79281	1.6
69.07066	7.8
69.49995	1.6
71.39589	2.5
79.05489	8.1
81.07063	11.1
83.08607	5.2
90.92945	1.5
91.05486	16.4
93.07042	22.2
93.43631	1.6
95.08608	23.4
99.08073	1.7
103.05435	1.9
105.07033	32.8
107.08600	27.7
109.06512	3.3
109.10146	6.6
117.06997	6.5
119.08591	49.2
121.10146	13.4
123.11724	2.8
124.33369	1.5
129.07018	2.4
129.54601	1.9
130.07806	2.1
131.08582	30.5
133.06464	2.2
133.10138	59.5
135.08113	2.3
135.11713	1.9
139.07550	1.8
142.07771	1.7
143.08537	2.7
145.06348	1.8
145.09065	2.7
145.10136	35.8
147.11697	11.2
149.05991	3.2
149.09604	4.0
151.07477	3.5
153.09096	2.2
157.10124	4.8
158.10901	2.6
159.08060	5.1
159.11705	43.7
161.13222	7.9
163.07530	11.0
163.11195	2.3
165.09085	3.2
171.11673	1.8
172.12447	2.1
173.09621	5.1
173.13289	16.1
175.14857	12.8
177.09137	40.9
179.10632	2.0
186.14102	2.5
187.11205	4.2
187.14821	4.4
191.10701	4.9
201.16391	100.0
202.16699	1.9
203.17966	11.4
205.12242	2.8
219.17442	4.4
229.15912	19.4
229.19545	5.0
247.14537	2.7
247.16945	37.1
247.20554	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	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03954	1.5
55.05515	7.8
57.07077	1.7
65.25280	0.7
67.05504	4.8
69.07075	5.9
69.81795	0.7
70.00081	3.4
71.08628	0.8
79.05494	5.2
80.42590	0.8
81.07061	6.4
83.08632	3.1
88.32451	0.6
91.05481	10.0
93.07057	13.4
95.08613	13.0
97.10168	1.3
98.98464	0.9
105.07043	20.1
107.08607	18.5
109.06540	1.0
109.10184	5.3
111.08139	0.9
115.05445	1.7
116.06239	1.6
117.07008	5.3
119.06094	0.9
119.08595	30.9
121.10150	6.4
123.11729	0.8
125.05939	1.0
129.06932	0.9
130.07819	2.1
131.08585	21.8
133.06529	0.9
133.10139	37.8
135.08067	1.1
135.11707	1.2
139.07561	1.5
143.08582	1.3
144.09357	2.1
145.06517	0.8
145.10139	27.8
147.11710	6.1
149.09624	1.9
149.13139	1.0
151.07568	2.6
153.09146	1.7
155.08607	0.8
157.10170	2.6
158.10988	1.5
159.08069	2.2
159.11703	27.6
161.13275	5.7
163.07535	5.0
165.09085	1.4
167.00543	0.7
171.11694	1.5
172.12523	1.4
173.09628	3.7
173.13281	12.0
175.14867	1.6
177.09129	20.7
179.10696	2.0
186.14076	2.0
187.11198	2.8
187.14761	1.4
191.10715	3.5
199.14645	1.0
201.16402	100.0
202.16808	1.4
203.17998	6.3
205.12222	1.3
211.14871	0.9
219.17476	2.4
229.15907	9.0
233.52510	0.8
247.16943	30.9
247.20677	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03947	0.5
55.05510	0.8
59.87798	0.3
67.05496	1.2
69.07068	4.6
70.87220	0.6
70.87550	0.7
79.05482	1.7
81.07078	2.9
86.91748	0.4
91.05472	2.3
93.07056	3.2
94.44714	0.4
95.08610	3.3
95.46336	0.3
105.07032	6.3
107.04919	0.3
107.07989	0.5
107.08606	5.4
109.10159	1.8
117.07035	1.5
119.08581	5.5
121.10114	2.0
130.07747	0.6
131.07607	0.7
131.08563	10.1
131.09543	0.5
133.10147	6.0
135.11705	0.5
140.06689	0.4
143.08551	0.6
145.10133	18.8
146.10896	0.4
147.11702	3.5
149.05867	0.5
157.10138	0.9
159.07988	0.4
159.11707	8.7
161.09589	0.8
161.13307	1.6
163.07626	0.5
165.09169	0.4
171.11778	0.7
173.09605	0.6
173.13261	4.9
179.10623	3.1
186.14059	1.1
187.14774	0.7
191.10649	1.5
201.16391	100.0
202.16724	0.8
203.17972	2.6
219.17410	3.9
229.15865	1.3
247.16954	25.5
247.24583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03936	0.8
55.05506	2.2
55.81032	0.6
57.07066	0.6
66.24229	0.5
67.05492	2.9
69.07084	3.3
69.88205	0.6
71.49472	0.8
79.05486	2.5
79.74519	0.6
81.07069	5.1
83.08634	0.6
85.32843	0.5
91.05470	3.6
93.07064	6.3
95.08607	5.9
105.07043	9.2
107.08596	9.3
109.06497	0.7
109.10168	2.5
117.06993	2.2
119.08595	16.3
121.10170	4.0
123.11721	0.6
125.06011	1.1
129.00163	0.6
129.07018	0.9
130.07867	0.8
131.08568	12.1
133.10144	12.1
143.08586	1.1
144.09361	1.5
145.10139	24.0
146.10918	0.8
147.11708	4.1
151.07555	1.2
157.10159	1.1
158.10840	0.7
159.11703	14.3
161.13313	4.5
163.07556	2.7
171.11665	1.3
173.09631	1.3
173.13290	4.7
175.14787	0.8
177.09145	2.5
179.10742	1.1
186.14072	7.2
187.11125	1.0
191.10693	1.9
201.16405	100.0
202.16641	0.8
203.17984	3.6
219.17586	4.0
229.15878	4.2
247.16969	18.0
247.20676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94441	1.1
59.18885	1.2
70.98183	1.7
70.98509	1.6
95.20359	1.3
95.24889	1.2
101.00858	3.2
119.01926	3.2
121.01643	2.2
148.71533	1.4
157.44641	1.2
167.03172	3.2
208.05505	1.3
215.00359	3.0
229.03180	30.0
247.04274	100.0
268.22195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67052	0.9
53.03947	1.6
55.01867	1.3
55.05511	1.1
56.96549	1.0
57.03424	3.6
60.28134	1.0
67.05486	1.1
68.99796	1.3
69.03436	100.0
71.04971	1.3
71.48579	0.8
73.02907	2.4
79.05496	2.2
81.03426	18.5
81.07056	2.8
83.04989	1.8
83.08637	0.8
85.02921	6.4
91.05471	2.1
93.07032	1.9
95.04977	1.9
97.02911	6.7
99.03855	1.4
99.04466	18.7
100.13445	0.8
103.03946	13.2
105.07027	2.3
107.04963	1.7
107.08619	1.3
109.02901	1.1
109.06510	2.1
111.04455	2.2
113.02402	0.9
115.03940	2.8
119.08611	1.5
121.02876	8.9
121.06478	1.0
121.10196	0.8
131.04968	1.5
132.95836	0.9
135.04425	0.8
137.06003	1.3
145.06508	1.8
147.04408	1.9
150.96828	1.1
153.01857	2.0
159.04350	1.1
159.08113	1.3
159.11694	1.2
161.05940	1.2
162.40129	0.9
163.03880	4.4
173.05977	2.6
173.13301	1.1
175.03882	1.1
177.05458	1.2
187.03903	1.4
191.03423	2.8
201.05463	2.6
201.12697	1.5
205.04942	1.4
213.53931	1.0
219.02849	1.4
229.05000	3.1
229.12138	1.2
230.40155	0.9
247.02463	3.6
247.05977	14.1
247.08159	31.9
247.13423	2.8
248.08444	1.3
249.95486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05511	0.7
56.96568	100.0
57.03436	1.9
57.07062	0.6
59.47752	0.6
60.04543	0.6
61.02930	2.6
67.05501	1.3
69.03433	2.8
69.07047	0.6
69.34516	0.6
70.98123	31.4
71.05005	0.6
71.10705	0.9
71.95267	1.7
72.08174	1.4
73.02913	1.0
74.97593	3.4
78.67072	0.6
81.03442	1.1
83.05013	0.9
84.08150	0.7
84.96028	7.4
84.99588	0.9
85.02933	3.4
86.09728	0.9
86.97604	4.8
88.95358	0.7
88.99168	12.3
89.00854	0.5
97.02906	2.5
98.97588	25.8
99.91781	0.6
100.99157	10.7
101.00880	4.9
101.48766	0.7
103.00639	4.8
103.02457	0.9
107.00205	1.5
108.96032	0.7
109.02888	0.7
110.97576	11.1
112.07595	0.8
112.95511	4.4
113.00842	0.9
115.00681	3.4
116.98627	10.4
119.00220	2.3
119.01930	6.4
120.02096	0.7
121.01675	5.2
124.99128	0.9
126.97056	3.6
127.00723	1.2
127.03939	1.1
128.98605	17.6
129.02303	1.1
129.04034	0.7
130.08620	1.1
130.12299	0.6
130.96541	4.1
131.00203	0.9
131.01883	1.1
131.05621	0.7
132.62061	0.6
132.95840	0.6
133.01744	6.5
133.03458	1.1
134.99699	3.1
135.03186	0.5
135.04416	0.9
137.06023	0.6
138.97034	0.9
140.98671	0.9
141.02229	1.2
143.00185	3.4
143.01961	1.8
144.98091	41.7
145.01709	3.7
145.03511	1.1
146.59564	0.6
146.99652	14.7
147.03284	4.0
148.97649	2.4
149.01202	0.9
150.01767	0.9
153.01878	0.8
155.02000	0.9
156.98134	2.1
157.01614	3.2
158.99709	3.6
159.03305	2.5
161.01250	3.2
161.03000	2.7
162.99153	25.5
163.01469	1.0
163.02670	4.9
163.03928	0.6
165.00719	7.1
165.04340	1.3
169.01660	1.4
170.99586	1.0
173.01485	0.8
173.03011	1.5
174.99144	4.5
175.02849	1.7
176.59196	0.7
177.00700	3.4
177.04301	1.0
179.02379	1.2
181.00250	3.5
181.01703	0.9
182.99620	1.0
185.03098	0.7
186.99165	7.5
187.00940	1.5
187.02821	6.3
187.04424	1.0
189.04237	1.3
193.00270	2.9
197.03061	0.6
199.01215	0.7
199.02861	2.1
201.00737	1.5
201.02527	2.0
203.02286	0.8
203.07741	0.9
205.00209	54.4
205.03934	2.8
212.07840	1.2
215.00462	1.7
219.01727	1.4
219.03625	1.1
223.01263	53.5
228.01880	1.2
229.03372	1.7
237.02875	1.1
241.02277	3.9
247.01355	2.5
247.04781	7.6
247.06697	1.7
265.02393	1.1
265.05963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1902
Annotation	(-)-Falcarinol
Peak:m/z	Relative Intensity
55.05518	11.1
57.07078	3.2
62.90369	1.5
64.48601	1.6
67.05519	10.5
69.07067	8.3
71.50352	2.5
79.05484	11.7
81.07059	16.9
83.05000	2.3
83.08607	5.5
91.05493	18.6
93.07041	22.0
95.04974	2.1
95.08615	54.1
97.10191	3.7
105.07041	29.7
107.08593	23.0
108.55840	1.6
109.10190	16.1
111.08127	9.3
111.09260	1.6
113.09654	1.7
117.07026	7.1
119.08585	32.3
121.10144	23.2
123.08070	2.8
123.11729	5.2
125.09644	3.1
128.06235	4.0
129.07001	10.4
130.07750	2.4
131.08572	21.4
133.10130	41.7
135.08124	2.1
135.11700	8.6
137.09656	3.5
141.07008	2.6
142.07799	4.7
143.08565	17.4
145.10133	33.1
147.11713	13.8
149.09608	5.2
156.09285	3.3
157.10136	23.4
159.11694	19.7
161.09625	2.8
161.13252	26.9
162.10391	2.3
163.11179	4.2
169.10143	7.4
170.10925	2.9
171.11710	24.8
173.13269	13.9
175.11224	9.6
175.14828	3.3
177.09221	2.1
183.11719	5.7
184.12502	5.4
185.13278	21.6
187.14821	20.4
189.12758	3.9
189.16414	7.2
198.14154	3.9
199.14822	33.1
201.16382	4.2
202.21626	6.7
203.17975	2.8
212.15704	2.3
215.17903	4.1
217.15941	6.6
217.19470	23.1
227.17960	95.0
245.04459	3.0
245.11659	2.1
245.15491	18.2
245.19029	100.0
245.22752	3.9
245.26627	11.4
246.19286	1.7
259.60043	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	69.8
57.03432	1.7
58.99861	3.4
60.26372	1.3
60.88572	1.2
61.02927	1.1
68.98286	3.4
69.03426	5.1
69.84676	5.5
70.04988	1.1
70.06573	2.0
70.97801	1.5
70.98128	18.2
70.99863	2.1
71.05000	1.1
71.95267	14.2
72.96048	7.4
81.03402	2.5
82.99827	8.9
84.08124	3.4
84.96045	7.1
85.02901	3.8
86.06088	1.8
86.09702	5.7
86.99317	2.2
88.99148	3.4
89.00902	1.5
92.38665	1.4
97.01360	1.6
97.02908	8.1
98.20823	1.4
98.97591	90.6
101.00889	78.4
102.96909	2.5
103.02469	1.9
109.02880	2.6
110.97581	3.1
111.02985	1.8
112.99128	2.0
113.00876	14.1
113.03519	1.9
115.00665	3.7
115.02432	4.6
116.98631	38.6
116.99474	2.0
117.04005	1.7
119.01929	67.6
121.01669	1.5
124.95480	17.0
124.99123	2.2
127.02402	7.3
127.03925	1.3
128.98613	4.5
129.00349	1.3
129.03970	2.1
131.00230	2.6
131.01909	17.8
131.05537	2.1
133.01694	2.2
133.03464	4.0
134.99643	7.6
137.00832	4.4
137.03012	6.0
139.02414	6.0
141.02243	6.8
142.03566	1.4
142.96544	14.0
143.00204	2.3
143.01906	44.7
145.01733	2.6
145.03458	29.6
146.99648	3.1
147.01364	1.6
147.05115	1.7
152.94992	5.4
155.01892	24.6
156.98114	3.1
157.03471	24.0
158.99681	2.0
159.01405	2.8
159.03291	2.4
159.05043	4.0
160.97537	3.6
161.02971	60.9
162.03229	1.8
163.04549	6.1
167.01950	15.7
169.03499	3.8
170.96021	27.3
171.01414	2.4
171.05104	4.1
173.01396	2.7
173.02933	20.9
174.99152	11.9
175.04503	10.1
179.01996	5.9
184.97609	7.7
185.01364	2.1
185.02956	51.6
186.99258	1.3
187.04544	6.6
188.97084	50.9
189.06158	1.8
190.98717	1.8
191.03947	2.7
193.00175	6.9
197.02959	22.7
199.04572	5.5
201.00815	1.8
202.98665	16.2
203.00421	2.6
203.02235	8.3
203.04041	20.7
206.98148	13.3
215.04109	7.2
217.05382	2.7
220.99773	6.8
221.03175	3.3
221.05042	8.5
222.05374	3.1
227.04012	8.9
230.98088	5.1
232.09122	1.6
239.00597	1.5
240.06410	2.4
244.99763	4.5
245.05089	100.0
246.05234	2.3
248.99272	1.9
255.47263	1.4
263.00610	2.2
263.03021	6.3
263.06168	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	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	11.9
57.03449	1.0
58.99864	1.9
61.02943	2.1
68.98300	4.5
69.03423	2.9
70.94001	1.0
70.98132	1.2
70.99857	6.9
71.13276	1.9
71.95275	4.9
77.00929	1.1
81.03411	2.8
82.99847	17.4
84.96049	1.3
85.01434	1.3
85.02913	1.4
86.99325	2.4
89.00890	4.2
93.18742	0.9
93.39766	1.1
94.99835	2.4
97.01406	2.6
97.02915	6.7
98.97600	19.2
101.00893	100.0
102.00979	1.6
105.00374	1.6
109.01311	1.1
109.02882	3.0
111.02941	1.6
113.00885	17.8
113.03537	1.0
115.02450	6.2
116.98614	4.3
119.01933	77.6
120.02017	2.1
121.82584	1.0
124.95486	4.4
125.00853	2.4
127.02422	12.3
129.00369	2.9
129.03958	3.4
131.00281	1.0
131.01924	18.6
133.03448	2.8
134.99619	1.6
135.01302	1.0
137.00836	7.8
137.01743	1.2
137.02924	4.1
139.02422	7.8
142.03461	1.1
142.96533	2.9
143.01915	37.5
145.01743	1.2
145.03477	29.0
146.05841	1.0
147.01392	4.4
147.05034	2.3
153.04013	1.1
154.04648	1.4
155.01917	39.7
155.04620	1.2
156.02676	1.3
157.02252	1.9
157.03497	28.0
159.01410	1.6
159.05043	3.0
161.02979	45.1
163.04498	2.8
167.01904	32.0
168.02051	1.1
169.03513	6.5
170.96014	7.1
171.05055	5.6
173.02988	27.0
174.99182	1.0
175.04593	7.6
179.01920	14.8
181.03487	1.9
184.97639	2.1
185.02977	94.3
186.03162	2.6
187.04515	8.4
188.97070	8.3
191.04025	2.6
193.00171	1.4
197.02972	41.9
199.00845	1.5
199.04549	2.8
202.98676	4.8
203.02380	0.7
203.04008	19.4
203.05792	1.7
204.04068	1.2
206.98094	1.9
208.04451	1.2
215.04007	10.8
217.05650	1.1
220.99646	1.5
221.03038	2.0
221.05070	10.3
222.05183	3.9
227.03973	8.0
227.05841	1.1
233.04916	1.4
240.06293	4.3
245.05074	66.7
246.05109	1.8
263.05933	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	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	8.9
60.99989	3.1
69.03407	2.8
70.99856	6.4
71.18335	6.0
72.39256	2.9
82.99835	17.6
86.99316	3.8
89.00902	3.9
94.86440	3.3
97.01405	4.4
97.02908	4.8
98.97569	11.1
101.00893	100.0
106.98891	3.4
113.00853	15.5
115.02433	6.0
116.98645	3.7
119.01929	66.5
120.01910	3.1
127.02413	8.2
129.00366	4.8
129.03995	4.4
131.01921	21.0
132.41812	3.0
133.03535	4.6
137.00862	5.8
137.02951	4.3
139.02452	7.4
143.01906	35.4
145.03485	24.0
153.03896	4.6
155.01903	37.1
156.36514	3.5
157.03448	24.1
161.02979	38.5
167.01942	20.4
169.03499	5.9
170.96049	3.6
171.05061	7.5
173.02983	28.1
175.04518	6.2
179.01933	10.9
185.02953	82.5
187.04570	9.6
188.97101	8.4
197.02971	35.2
203.04037	22.3
215.04012	8.4
221.05086	8.2
227.04041	5.9
245.05096	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.45229	1.4
53.03939	3.9
55.01852	1.5
61.02931	11.5
65.03935	10.1
67.05506	3.3
69.03461	2.0
69.07068	1.7
70.95573	3.3
77.03928	1.7
79.05513	6.9
81.07064	3.7
82.04201	3.1
85.02907	5.4
91.05486	17.1
93.03387	2.2
95.04971	15.3
97.02887	2.5
97.06541	2.4
105.03380	2.6
107.04934	7.0
109.06525	15.4
110.03664	4.0
119.04951	5.6
122.03636	1.4
123.04436	16.9
125.02334	8.7
125.06012	2.6
133.02847	13.7
135.04424	3.6
137.05977	21.5
138.03120	3.1
140.04688	100.0
142.02669	2.5
142.36401	1.4
145.06487	3.4
147.04443	7.5
152.04745	2.6
153.05484	4.5
155.07031	90.8
160.60477	1.3
161.63277	1.5
163.03954	3.1
165.01831	1.9
165.05466	18.1
165.06735	1.8
167.07068	2.7
171.06567	4.0
173.08119	3.1
179.07040	12.2
180.04213	18.3
181.04959	68.6
181.06569	3.3
183.06554	5.3
184.03619	1.4
193.04967	25.0
195.06540	11.6
197.06090	3.3
197.08093	7.9
207.06523	28.5
207.47850	1.3
225.07591	21.2
243.06497	2.6
243.08588	10.5
250.20975	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84293	0.5
53.03933	0.7
53.83036	0.5
55.01862	1.0
55.05511	0.6
57.03444	5.7
63.89981	0.7
65.03953	0.5
67.05495	0.7
68.99791	2.5
69.03418	0.5
71.04972	0.7
71.49690	1.1
72.05845	0.5
75.04476	2.0
81.03423	6.2
83.04977	1.0
85.02942	1.1
86.09687	0.6
88.23194	0.6
89.40717	0.5
90.72346	0.5
91.05505	0.7
95.04968	0.9
96.24390	0.5
97.02886	1.0
98.03708	0.6
99.04454	1.3
107.08594	0.6
109.02892	18.1
111.00807	6.8
111.04425	1.4
119.45105	0.5
121.10149	0.9
124.01606	0.5
126.03139	17.1
127.03889	1.2
140.04681	0.7
141.05475	58.4
147.04420	0.5
154.02646	0.9
154.96077	0.5
155.03436	1.0
155.44217	0.6
169.04974	100.0
197.05966	0.6
211.05981	3.8
215.07103	0.6
243.06468	1.3
243.08336	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	243.0866
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.02377	1.4
53.03938	3.6
54.84139	1.3
55.01863	3.7
55.05513	1.5
57.03439	1.5
57.07064	2.3
61.02935	10.6
65.03954	8.1
67.05496	5.4
68.99776	1.6
69.03419	3.7
69.07050	1.5
70.69170	2.7
71.05013	1.9
72.08167	1.3
77.03936	1.5
79.05494	8.6
81.03413	2.7
81.07047	7.9
82.04183	3.0
83.04969	2.0
84.04520	1.7
84.08129	3.6
85.02895	5.5
86.06014	1.4
91.05495	20.4
93.03423	1.2
94.04176	2.3
95.01337	3.3
95.04968	18.3
95.08585	1.3
97.02869	2.2
97.06525	3.2
98.97607	1.8
103.05441	2.9
105.03398	3.1
105.04554	1.6
105.07044	1.8
107.04964	9.8
108.02087	1.6
109.06523	17.8
109.10202	1.2
110.03653	3.0
110.95733	1.4
111.04451	1.7
113.07135	2.8
115.05461	1.8
117.07031	2.3
118.04209	1.6
119.04958	8.2
121.02832	2.6
121.06440	1.9
122.03663	1.6
123.04424	21.0
125.02334	6.9
125.06028	2.1
132.02109	1.7
133.02858	12.6
133.10117	1.4
135.04420	4.9
137.02299	2.3
137.05995	29.8
140.04691	100.0
141.06931	1.3
142.02626	2.8
145.06488	2.4
146.03564	1.5
147.04419	9.4
148.01559	1.9
149.02290	2.4
152.04689	2.6
153.05495	3.9
155.07040	90.3
163.03883	4.7
164.04683	1.5
165.05502	26.4
167.07036	3.8
169.06465	3.1
171.06578	3.3
173.05933	2.3
173.08098	3.9
179.07062	23.2
180.04187	15.9
181.04973	75.7
183.06561	6.6
184.03735	1.6
184.05251	2.9
192.04141	1.5
193.04977	27.3
195.06534	11.9
197.05981	11.1
197.08087	21.0
205.46875	1.6
207.06531	26.3
215.06976	6.3
225.05508	2.4
225.07530	19.0
225.60669	1.4
225.81171	1.2
226.08340	1.3
243.02815	1.7
243.06735	9.5
243.08522	11.6
243.17189	3.2
262.75015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.05492	1.1
56.05050	0.3
56.96570	2.8
57.03429	0.5
57.69560	0.2
58.06603	20.1
61.02933	1.4
67.05492	0.3
69.03421	1.1
70.06596	3.4
70.18406	0.9
70.18759	0.4
71.04980	0.4
71.95255	0.3
72.02770	0.3
72.08136	0.4
73.02909	0.8
73.06551	0.5
77.00875	0.3
81.03403	0.9
84.08150	9.8
84.96036	0.4
85.02905	1.4
91.05450	0.4
97.02914	1.5
98.06055	0.4
98.09695	1.6
98.97585	9.6
99.04432	0.4
100.11266	0.4
101.00863	0.9
103.00614	0.3
110.97549	0.7
111.02893	0.3
113.00876	0.4
114.05531	0.3
116.07104	0.5
116.98631	2.8
119.01887	1.1
124.07626	0.3
125.73363	0.3
126.05450	0.4
127.00634	0.4
127.03898	0.4
128.10713	3.6
128.98601	0.4
129.03961	0.3
131.01907	0.9
131.05492	0.4
134.99648	0.8
136.06200	0.3
137.05765	0.3
137.06636	0.4
143.01915	1.0
144.10208	1.4
145.03418	0.6
147.04462	0.6
147.05789	1.4
148.04704	0.5
154.03880	0.4
155.01874	0.4
155.04666	1.7
157.03511	0.4
158.99670	0.8
160.06590	0.7
161.02979	1.0
163.04181	0.3
168.10220	1.1
169.04486	0.4
173.02969	0.4
177.00819	0.4
191.03989	0.3
196.07982	0.4
196.09706	5.1
199.00940	0.3
203.04044	0.4
208.55106	1.1
213.15988	0.9
217.00102	0.5
217.55635	0.6
219.01677	0.4
221.05006	0.4
237.02859	0.4
241.15482	100.0
242.15822	1.1
255.03670	0.3
258.99756	1.2
259.02347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	13.9
56.94289	8.2
56.96558	19.9
57.03442	26.3
57.03887	3.5
58.06585	9.1
61.02936	41.8
69.03407	12.5
69.31596	17.4
69.32022	15.5
69.44991	3.7
70.06604	6.3
70.63254	4.6
71.01342	9.2
72.93785	8.2
73.02901	14.9
82.01444	5.9
85.02901	20.9
87.04455	13.6
89.02374	7.2
90.94872	4.2
96.34326	3.9
97.02878	8.4
98.29338	4.0
98.97588	11.6
100.02484	12.3
101.00844	16.5
101.02384	30.1
110.07140	4.2
113.00845	5.9
113.02348	10.7
113.96409	19.3
114.32133	3.9
115.02466	7.8
115.03927	44.1
119.01918	19.5
124.03928	9.9
126.43674	4.0
126.98812	4.5
128.98636	5.7
129.01859	31.4
131.01900	8.5
131.97444	5.9
132.00771	4.6
132.01942	4.7
133.01595	4.8
133.03445	14.5
139.04233	6.9
143.01823	5.5
143.03407	24.0
144.99854	9.1
146.04974	8.2
147.05009	8.5
148.01965	4.2
148.04898	4.9
155.03619	5.1
155.05537	4.5
157.01366	38.8
157.02541	8.9
160.02188	5.0
161.04456	15.2
162.01944	4.5
168.01405	5.2
172.99323	13.7
175.04463	4.4
183.05104	4.7
187.00821	5.5
189.03964	94.1
191.00343	5.8
191.02269	4.5
196.00972	21.2
197.10104	5.9
205.01860	4.7
214.01907	8.7
219.01732	6.0
219.03691	4.9
228.03568	9.0
242.15816	100.0
251.04132	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	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
52.86674	2.2
53.03944	4.0
54.90577	2.1
55.05512	32.8
57.03432	4.2
57.07085	18.6
59.05005	27.0
63.39021	2.4
67.05506	33.8
69.03426	5.6
69.07072	55.1
71.04980	8.2
71.08611	3.9
71.49325	3.0
71.86160	2.1
79.05501	19.5
79.93454	2.4
81.07059	94.4
83.04964	3.8
83.08624	24.7
85.02881	2.3
85.06546	11.6
91.05470	14.8
93.07043	33.9
95.04971	7.7
95.08613	100.0
97.06529	17.8
97.10159	20.2
99.08094	6.6
101.06058	2.5
105.07034	33.3
107.08602	52.7
109.06519	8.1
109.09478	4.5
109.10167	51.7
109.49249	2.3
111.08082	16.4
111.11726	14.9
113.09607	4.2
115.07552	3.8
117.07047	5.0
119.08582	50.6
121.06483	9.1
121.10151	39.9
123.08051	7.4
123.10859	2.5
123.11716	37.6
124.06988	2.2
125.09647	13.2
127.15321	2.3
131.08594	13.4
133.06590	2.7
133.10130	37.9
135.11684	33.8
137.09616	5.0
137.13269	85.7
139.11180	15.9
142.07805	3.7
143.08559	3.8
143.10683	6.9
145.10100	9.4
147.08023	7.4
147.11697	33.6
149.13315	18.2
151.07544	4.5
151.11177	10.5
151.14830	2.6
155.08536	3.3
157.10172	5.4
159.11723	7.7
159.43993	2.6
161.09607	7.8
161.13286	23.2
163.14822	35.6
165.05527	3.3
165.06918	4.6
165.12732	7.6
169.10092	4.6
170.10895	3.1
173.13292	5.9
175.14844	27.2
177.16420	12.4
179.91805	2.3
183.11769	3.5
185.13287	5.7
191.14369	11.2
193.15926	2.6
193.19464	7.8
197.13264	3.1
197.58792	2.6
203.14410	18.9
203.17981	52.8
221.07941	2.7
221.15369	8.3
221.19035	53.4
222.19453	2.3
239.06819	4.8
239.08931	10.8
239.14325	3.7
239.16107	5.1
239.17961	9.9
239.20049	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.44540	3.1
55.05512	25.2
56.33636	3.1
57.03442	3.4
57.07073	16.8
59.04992	14.7
61.58377	3.4
67.05505	22.4
67.18958	2.9
67.79563	2.6
69.03463	2.6
69.07069	46.4
70.82959	2.5
71.04994	18.3
71.38437	6.7
79.05509	24.1
81.07057	100.0
83.08624	13.9
85.06559	12.7
91.05482	15.3
93.07050	36.7
95.04996	3.7
95.08614	78.8
97.06531	7.8
97.10184	15.7
99.08126	9.3
105.07053	17.6
107.08600	48.4
109.06495	6.7
109.10162	52.0
111.08084	6.2
111.11725	24.2
119.08581	35.6
121.10160	34.2
123.08093	5.5
123.11713	31.2
125.09622	9.2
125.13290	3.6
131.08499	4.2
133.10132	25.3
135.11708	49.7
137.06001	4.2
137.09644	7.5
137.13271	52.5
139.11177	16.0
145.10089	4.4
147.11705	23.2
149.13251	21.0
151.11185	7.3
153.12753	13.8
159.11653	4.6
161.13266	16.3
163.14798	22.8
165.12778	6.9
168.02025	3.4
169.10159	3.5
175.14857	10.8
177.16368	8.9
203.14362	4.0
203.17966	54.8
221.15497	6.1
221.18988	59.7
239.06927	5.9
239.08939	7.5
239.10910	5.1
239.17921	8.6
239.20027	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03925	4.6
55.01864	5.5
55.05514	31.7
55.69141	3.3
57.03423	5.8
57.07075	18.7
57.73767	3.0
59.05005	21.5
59.62523	3.2
67.05505	28.5
67.20724	2.7
69.07072	38.9
69.15650	35.0
71.04983	9.8
71.08632	7.4
73.06532	2.8
77.77930	2.8
77.78436	3.0
79.05483	13.6
81.06607	5.1
81.07059	84.3
83.04976	6.1
83.08625	23.4
85.06537	9.2
87.04447	3.5
89.06058	3.9
91.05474	12.5
93.07047	31.2
95.04954	7.8
95.08608	100.0
97.06522	13.1
97.10191	15.0
98.21544	6.9
99.08081	5.4
105.07033	27.7
107.08607	40.7
109.06506	7.6
109.10155	49.7
111.08064	9.5
111.11729	7.6
113.06015	5.0
115.07562	4.0
119.08619	29.2
121.10143	33.3
123.08032	10.1
123.11717	31.0
125.05902	3.9
125.07594	3.0
125.09608	11.3
127.11172	6.4
131.08568	4.6
133.06503	3.0
133.10136	22.1
135.11699	36.3
137.05983	5.6
137.09596	4.0
137.13258	81.2
139.11218	19.7
143.10681	11.6
145.10088	3.7
147.11688	33.6
149.13235	18.6
151.11205	8.0
151.14844	5.0
153.12717	8.2
161.13243	20.3
163.14824	28.8
165.09137	3.6
165.12846	8.1
170.07167	3.3
175.14813	12.9
177.16376	8.6
179.10628	3.7
183.11655	5.8
193.15874	11.6
193.19421	3.9
197.08023	13.5
197.13220	3.3
203.14439	4.7
203.17952	54.9
211.07610	5.5
211.39799	3.5
221.15552	15.9
221.19032	61.3
228.11461	3.2
239.06844	5.8
239.08928	12.4
239.10942	5.8
239.14323	6.4
239.16211	5.6
239.18175	7.3
239.20117	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05511	25.0
57.07082	22.0
59.05007	24.2
65.84766	3.3
67.05509	22.0
69.03428	5.3
69.07072	39.9
70.70233	6.1
70.70576	5.5
71.04983	17.2
71.08621	3.8
79.05486	19.7
80.95580	2.9
81.07060	100.0
83.04975	3.1
83.08642	19.3
85.06546	14.7
90.34432	3.7
91.05484	10.9
91.39866	3.3
93.07037	36.9
95.04945	4.3
95.08613	94.5
97.06533	11.5
97.10177	14.1
99.08094	6.6
101.06007	3.7
105.07048	18.3
107.08604	43.2
109.06485	4.4
109.10168	52.8
111.08064	12.6
111.11730	16.1
115.07633	3.1
119.08585	30.6
121.10149	31.0
121.66354	3.2
123.08025	4.4
123.11712	36.6
125.09618	7.7
126.92638	3.0
127.11253	3.0
133.10132	31.8
135.11707	47.2
137.13264	67.8
139.11200	19.2
147.11667	20.6
149.13258	16.0
151.11191	6.2
153.12770	19.3
154.28775	3.0
161.13232	16.6
163.14835	25.8
165.12769	5.5
169.10141	5.5
175.14804	10.2
177.16394	5.6
193.19577	4.7
203.17970	51.7
221.19026	59.4
239.08801	4.3
239.18047	4.6
239.20091	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.70293	2.7
55.01868	4.2
55.05516	33.5
57.03437	3.0
57.07087	17.5
59.04997	5.5
64.08138	2.7
67.05504	36.5
69.03414	3.1
69.07070	100.0
71.05016	6.6
71.08620	5.4
71.50001	4.9
72.51859	3.5
79.05490	15.4
81.06594	6.5
81.07060	92.3
83.04990	6.8
83.08620	24.3
85.06553	7.0
89.06059	4.3
91.05489	13.9
93.07056	28.6
95.04970	5.0
95.08611	87.8
97.06541	7.7
97.10151	14.6
99.04480	4.7
99.08127	4.7
101.06026	8.8
105.07020	27.7
107.08588	37.1
109.06515	5.4
109.10159	77.1
111.08079	8.4
111.11733	25.4
115.07550	4.4
118.77409	3.0
119.08582	29.9
121.10118	22.9
123.08082	11.9
123.11710	25.7
125.13246	4.3
127.03771	3.2
129.07030	3.9
133.10135	17.8
135.11694	11.8
137.09650	11.0
137.13268	12.0
139.11194	9.5
141.06972	3.4
141.09123	9.5
145.10117	6.5
145.56360	3.0
147.11699	26.3
149.13269	10.8
151.11205	9.5
151.14813	3.5
155.08560	8.7
155.10655	11.7
157.10033	3.2
161.13293	11.6
163.14888	18.0
164.90540	3.2
165.12758	10.1
169.10127	44.2
175.14822	6.3
180.75009	3.6
181.10139	5.3
183.11707	18.4
191.17963	5.8
191.97800	3.1
195.11783	5.0
196.12465	4.0
197.13277	20.7
203.14326	4.1
203.17952	35.1
209.13255	13.1
210.13985	7.0
211.14780	7.4
221.18994	30.7
224.15704	5.5
239.08926	13.3
239.14304	9.4
239.15587	4.0
239.17935	79.4
239.20119	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	239.1642
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.08492	2.4
53.81281	2.5
55.01891	2.9
55.05513	10.3
57.03426	6.8
57.07080	4.3
62.41338	2.7
63.23851	2.1
64.71481	2.3
64.81480	2.4
67.05502	12.7
69.07075	22.0
71.04974	5.3
71.09819	5.3
79.05505	11.7
81.03422	4.3
81.07053	31.2
83.08615	4.7
85.32232	2.4
87.07336	2.5
89.06031	5.2
91.05477	29.2
93.07050	31.7
95.04971	4.0
95.08617	31.7
97.06541	5.6
99.04443	3.1
105.06328	4.4
105.07030	74.3
107.08594	42.6
107.17332	2.4
109.06544	6.1
109.10152	14.4
111.04404	5.1
111.08111	2.7
115.05489	2.4
117.07014	19.8
119.08588	100.0
121.06511	36.6
121.10146	21.2
123.08069	5.8
123.11691	7.5
128.06224	5.6
129.06963	8.7
131.08572	43.5
133.06522	5.5
133.10138	56.0
135.08060	7.2
135.11699	8.0
137.09630	6.2
137.48810	2.8
141.06976	3.0
142.07762	6.6
143.08575	15.9
144.09343	6.1
145.10152	34.0
147.08041	27.3
147.11694	28.0
149.09642	4.6
149.13252	8.8
154.07748	3.4
155.08569	7.9
157.10124	13.6
159.11687	36.1
160.08755	3.0
161.09616	24.7
161.13257	25.7
163.11188	11.2
163.14809	7.9
165.09119	3.4
165.12823	3.5
168.09224	2.8
169.10162	15.9
170.10867	7.3
173.13248	27.4
175.11185	4.4
175.14836	80.5
177.12691	4.8
179.10699	5.5
179.14330	3.5
181.10225	2.8
183.11700	9.5
185.13292	21.0
191.14307	57.5
193.15942	5.9
195.11707	2.7
196.12566	3.0
197.13235	7.1
203.14313	57.9
209.13405	4.2
210.14174	2.6
221.13362	4.6
221.15352	33.8
239.08902	18.9
239.16394	28.3
239.18095	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1642
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03959	2.8
55.05510	13.6
55.43970	3.1
55.73016	3.0
56.60984	3.0
57.03437	7.8
57.07074	3.9
67.05507	20.3
69.03423	5.9
69.07082	18.6
71.04987	4.5
71.49773	4.7
79.05502	15.9
81.07060	37.8
83.05002	3.3
83.08627	9.4
85.02910	6.5
87.50525	3.1
89.06050	5.7
91.05474	33.7
93.07036	35.3
95.04955	7.7
95.08607	43.4
97.06530	9.5
99.04454	5.3
105.07040	81.0
107.08596	46.2
109.02900	3.7
109.06513	6.9
109.10162	17.1
111.08033	3.7
115.05529	3.4
115.85044	3.1
117.07024	21.0
119.08590	100.0
121.06508	35.3
121.10151	25.9
123.08071	6.1
123.11732	6.8
125.09644	4.4
128.06226	7.3
129.07002	11.3
130.07819	4.1
131.08568	45.4
133.06516	4.2
133.10133	60.8
135.08109	8.7
135.11713	13.3
137.09613	7.5
137.13208	5.3
141.06970	3.7
142.07787	6.6
143.08586	22.9
144.09329	3.9
145.10150	24.8
147.08060	26.8
147.11679	32.2
149.09660	6.9
149.13257	9.5
154.07877	3.1
155.08600	6.9
156.70003	3.2
157.10144	16.5
159.11678	35.4
161.09599	20.6
161.13293	27.0
163.11252	11.6
163.14835	6.2
165.09120	7.4
167.08606	4.5
169.10149	13.3
170.10924	8.1
173.13298	27.6
175.11255	7.7
175.14841	90.1
177.12758	4.9
179.10718	8.2
183.11667	15.2
185.13329	16.3
191.14310	50.1
193.15886	9.3
195.11807	4.6
197.13293	11.4
203.14322	71.4
209.13292	4.4
214.32903	3.3
215.70087	2.9
221.15335	32.9
239.08907	21.7
239.16275	18.4
239.18013	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01867	4.9
55.05516	31.4
56.96563	2.4
57.03441	10.0
57.07072	3.4
60.72761	2.1
67.05176	3.2
67.05508	31.2
67.90577	1.9
69.03421	6.8
69.07075	13.0
71.04996	6.4
71.48280	2.2
79.05493	26.1
81.03422	100.0
81.07063	35.1
82.17477	1.9
83.04980	26.2
83.08627	34.8
85.02903	3.2
85.06538	4.4
85.10152	2.5
85.89774	1.8
89.06007	2.4
91.05489	32.1
93.07041	24.2
95.04975	33.8
95.08610	20.6
97.06519	5.6
97.10169	6.7
98.21529	5.5
99.04453	3.6
99.08105	5.1
105.04505	2.4
105.07044	25.6
107.04939	7.5
107.08598	14.9
109.02880	4.1
109.06535	17.4
109.10146	8.3
111.04447	4.7
111.08102	17.3
115.05495	3.2
117.07003	4.3
119.08579	26.9
121.06502	6.2
121.10175	12.7
122.36314	2.2
123.04422	2.7
123.08076	7.2
123.11710	2.7
125.09577	2.1
129.07014	10.7
131.08575	15.7
133.06474	6.4
133.10129	21.2
137.09633	4.7
142.07785	4.5
143.08562	4.0
145.10110	5.2
147.08076	5.8
147.11690	17.9
148.57916	2.0
149.09589	6.5
151.11269	3.0
155.08548	6.7
157.10123	20.1
159.11696	2.7
161.09683	2.2
161.13243	3.3
165.12724	3.7
167.08441	3.4
168.09258	4.5
169.10117	26.7
171.11757	4.3
175.11165	17.3
175.14821	7.6
181.10161	4.5
183.11734	12.0
185.13260	4.1
191.14351	3.7
193.12251	60.3
193.15845	6.5
195.11751	3.3
197.13269	8.2
203.14346	5.1
209.13297	5.2
211.13225	3.1
221.11635	3.4
221.15385	8.3
224.15489	3.3
239.08893	28.3
239.12584	4.3
239.14229	6.5
239.18167	43.3
240.08824	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.8
55.01875	12.2
55.05516	86.9
56.96566	2.4
57.07071	2.4
64.83881	1.2
67.05511	4.1
69.03437	1.4
69.07072	2.9
70.26817	2.4
71.04984	4.5
71.08614	1.4
72.84418	1.1
72.93817	1.5
73.02912	5.1
74.99086	9.7
79.05481	4.0
81.03436	2.3
81.07061	9.8
83.08625	100.0
89.06043	2.6
91.05497	1.9
93.00103	11.2
93.07041	1.6
95.04955	1.9
95.08624	3.5
97.02892	2.4
98.97604	1.6
101.09665	12.7
102.98531	12.0
103.05464	1.4
105.07088	2.9
107.04906	2.5
109.02896	1.5
109.06500	1.3
109.36315	1.1
113.03514	2.2
120.99576	58.9
121.02900	1.3
123.04426	1.3
123.05647	1.2
133.06544	2.0
137.05934	1.7
139.00581	4.0
147.08078	1.2
161.06004	1.3
163.03934	2.1
164.04175	1.4
167.70622	1.3
175.07516	2.5
179.03343	1.5
184.69466	1.3
193.05115	1.5
221.08241	3.6
230.94208	1.4
239.01869	2.7
239.08987	29.8
239.14230	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.94006	2.3
53.03938	3.3
55.01868	5.2
55.05501	9.9
57.07065	5.1
59.04991	5.7
67.05507	20.2
69.03442	14.7
69.07057	10.3
69.87286	2.8
70.83234	5.5
71.05004	33.9
79.05505	27.3
81.07059	100.0
83.04983	3.4
83.08622	6.8
85.06541	6.2
91.05483	15.9
93.05292	2.2
93.07045	28.7
95.04977	8.8
95.08612	21.9
97.06524	11.2
97.10176	4.7
99.08108	43.8
103.05412	2.6
105.07050	33.6
107.04964	7.1
107.08594	24.1
109.06524	21.6
109.10170	26.2
111.04487	3.7
111.08061	4.1
111.11693	2.6
117.07014	5.0
119.08595	15.8
121.10170	13.6
123.08062	6.1
123.11720	12.9
125.09656	7.8
127.07580	26.6
127.11214	28.7
131.08556	6.5
133.10135	43.2
135.04404	3.5
135.08078	4.0
135.11702	10.4
137.09651	3.2
139.07605	2.5
139.11194	7.0
143.10616	4.7
144.05696	4.1
145.02774	2.7
145.10126	9.5
147.04485	3.7
147.11728	13.2
149.09633	3.5
149.13257	10.4
149.31956	3.1
151.11189	54.8
155.10680	8.2
159.11655	6.2
161.13274	7.1
163.03923	28.5
163.07549	3.5
163.11169	5.1
163.86534	2.4
165.12749	6.9
169.12215	4.1
173.13353	3.1
177.09137	2.8
177.12842	3.2
191.03423	49.9
191.07101	4.3
191.17839	3.0
201.16406	8.9
209.04411	7.5
219.02898	9.9
219.13985	2.9
219.17540	13.2
237.03876	16.4
237.07578	6.7
237.14799	4.5
237.18535	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	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03941	4.2
55.01867	7.7
55.05524	14.0
57.03445	2.7
57.07059	6.9
58.48445	2.4
59.04988	3.4
67.05515	23.5
67.20984	2.1
69.03431	13.2
69.07063	12.7
69.17441	25.3
71.05002	33.5
79.05492	29.1
80.64532	2.3
81.07062	100.0
83.04989	8.0
83.08603	5.9
85.06547	5.6
87.04470	2.6
91.05495	16.9
92.27390	2.2
93.06561	3.0
93.07051	31.3
94.52202	2.3
95.04962	7.6
95.08607	29.2
97.06540	16.8
97.10169	3.7
99.08098	47.6
105.07027	39.0
107.04948	5.8
107.08594	33.6
109.06531	17.2
109.10157	30.4
111.08054	2.6
117.07030	9.1
119.08569	19.7
121.06496	6.3
121.10165	17.6
123.08072	6.6
123.11713	12.7
125.06005	6.1
125.09607	15.9
127.07571	23.1
127.11209	27.8
129.06953	3.3
131.04933	3.9
131.08577	13.8
133.06496	5.2
133.10143	41.5
135.04346	2.8
135.08092	13.9
135.10806	2.3
135.11662	12.9
136.05270	2.6
137.09624	3.3
139.07539	12.7
139.11209	3.6
143.10675	6.1
145.06415	2.6
145.10110	18.3
147.11674	11.8
149.09613	9.9
149.13251	9.5
151.07513	3.0
151.11192	54.4
155.10635	10.0
159.08067	5.3
159.11700	8.3
161.06064	3.9
161.13254	9.5
163.03886	6.0
163.07484	3.2
163.11192	4.6
165.12738	5.3
167.07034	6.6
167.08542	4.1
169.12244	4.9
173.13298	5.4
175.14919	2.8
177.05548	2.6
177.09106	4.8
177.12811	6.0
181.08586	3.7
183.11621	2.8
187.07506	4.8
191.03410	6.0
191.07034	10.3
191.14305	10.1
191.17853	3.4
195.10217	4.2
201.12671	2.8
201.16411	12.0
207.10004	2.9
219.10146	4.0
219.11993	4.0
219.13820	11.2
219.17426	21.7
237.03877	5.5
237.07309	2.9
237.09285	4.7
237.11189	5.0
237.14798	11.1
237.16498	8.3
237.18471	20.3
237.21962	2.7
255.08154	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01848	2.9
55.05514	12.6
56.17142	1.7
57.07058	2.1
59.05009	3.5
67.05505	21.9
67.33219	1.6
69.03426	17.8
69.07088	8.5
69.46807	12.7
71.05000	37.4
72.82308	1.7
79.05502	26.1
81.03397	2.0
81.07063	100.0
83.04981	4.4
83.08588	4.3
83.29372	1.7
85.06543	5.2
85.34060	1.8
91.05486	11.2
93.07045	28.3
94.05325	1.8
95.04977	7.5
95.08621	23.2
97.06534	6.6
97.10173	4.8
99.07505	2.9
99.08109	48.8
105.07027	26.1
107.08601	25.1
109.06521	20.8
109.10173	26.5
111.08093	4.6
117.07042	3.2
119.08603	11.6
121.10164	13.5
123.08040	4.1
123.11714	13.2
125.09612	8.3
127.07571	27.6
127.11207	33.0
130.62148	1.7
131.08603	6.3
133.10135	46.1
135.11722	8.7
139.11166	1.9
143.10661	6.7
145.10130	17.6
147.11650	9.0
149.13287	7.2
151.11197	56.5
155.10713	12.1
159.11714	7.7
161.13283	5.9
163.03717	1.8
165.12718	4.1
169.12296	3.4
173.13344	2.5
177.12808	2.3
177.16420	4.2
191.03426	2.3
191.14355	3.3
193.08665	2.5
193.29279	1.9
201.16347	8.8
213.18227	1.9
219.17485	14.4
237.07387	2.2
237.14690	3.9
237.16762	2.3
237.18542	17.7
238.77119	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0759
Annotation	Schinicoumarin
Peak:m/z	Relative Intensity
53.03946	6.3
53.37639	2.9
55.01880	17.7
55.05518	6.7
56.96579	3.1
57.03437	3.5
57.07066	5.8
63.08730	2.8
65.03939	6.1
67.05502	8.3
68.99801	6.2
69.03413	3.5
69.07072	7.7
70.47099	4.3
70.47430	6.4
72.08138	3.5
76.80828	3.2
79.05499	24.0
80.36295	3.0
81.03460	3.8
81.07050	15.7
83.04975	9.2
85.02905	5.2
89.03918	6.4
91.05495	29.9
93.03419	3.1
93.07058	24.6
95.04972	9.1
95.08617	10.3
97.06541	6.0
98.97610	3.4
103.05479	47.0
105.03399	8.6
105.04539	3.9
105.07051	16.4
106.04208	5.6
107.04964	29.5
107.08612	11.6
109.06541	3.7
109.10184	5.2
111.04441	5.4
117.03394	5.6
117.07043	6.8
118.06586	3.6
119.04989	6.2
119.08578	3.3
121.02875	10.9
121.06509	66.5
121.10136	5.4
123.04424	5.4
125.09647	4.6
131.04950	41.0
131.08594	9.8
133.06509	3.6
134.03654	5.5
135.04417	11.8
135.08104	8.1
137.02399	3.5
137.05946	5.0
145.02866	3.0
147.04427	11.7
148.05212	9.5
149.06006	50.4
149.09576	3.0
151.03926	3.6
153.05498	7.0
159.04404	7.0
159.05577	4.2
159.11798	3.2
161.05931	4.0
162.03139	8.0
163.03893	18.9
163.07576	10.9
167.07092	8.9
173.13286	10.9
175.03912	3.7
176.04700	6.2
176.96957	3.9
177.05482	100.0
181.08665	6.9
191.03439	14.3
191.07050	13.4
193.04955	5.4
193.08539	3.1
195.06555	5.7
205.04985	66.3
206.05859	3.7
209.04366	3.6
209.06288	4.8
209.08092	38.7
209.09924	3.6
219.02979	4.1
219.06500	9.0
219.13893	5.9
222.05228	6.5
237.04102	5.5
237.07561	73.3
237.09677	4.8
237.12875	4.0
237.14890	19.8
237.22246	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	235.1694
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
51.02365	1.5
55.01875	2.0
55.05515	11.5
57.07082	17.0
60.22652	1.4
64.45169	1.3
67.05511	21.1
69.03419	4.0
69.07081	11.3
71.04996	26.8
71.49149	2.1
73.06563	2.7
79.05494	15.2
81.07060	31.0
83.04969	5.5
83.08609	4.9
85.06548	2.3
85.52842	1.4
89.06019	8.3
91.05489	17.3
93.07047	29.2
93.30360	1.4
95.04973	11.9
95.08622	28.5
97.06513	3.0
97.10151	1.8
99.08098	2.0
103.05483	2.1
105.07037	41.6
107.04958	2.0
107.08600	72.3
109.06532	7.6
109.10162	37.5
111.08092	18.3
115.05463	2.0
117.07025	4.7
119.08588	34.9
121.06499	5.3
121.10149	24.2
123.04465	1.7
123.08071	5.3
123.11711	2.6
125.06038	1.9
125.08778	2.5
125.09642	29.0
127.07589	2.8
129.06989	4.4
130.07785	1.7
131.08583	17.0
133.06480	2.6
133.10147	31.1
135.08055	4.0
135.11694	24.4
137.09624	3.0
139.07539	1.7
139.11107	1.9
141.20882	1.7
143.08566	3.9
145.06465	2.1
145.10153	20.6
147.08064	8.0
147.11697	74.8
149.09616	6.4
149.13275	3.2
153.12744	3.1
155.06133	1.5
157.10117	6.4
159.11697	7.4
160.05185	1.7
161.05994	1.9
161.09637	6.4
161.13293	7.4
163.07538	1.7
163.11163	3.4
165.09137	2.0
165.12750	10.2
166.78279	1.6
171.11710	3.2
173.06020	3.0
173.13264	6.2
175.07588	4.5
175.11162	6.7
175.14845	15.0
177.12753	2.2
179.08478	2.1
179.10689	11.9
187.07512	3.8
189.12737	2.4
189.16380	41.0
191.06963	2.4
193.15894	5.1
199.14830	5.9
207.17464	1.8
217.08714	2.3
217.12355	2.4
217.15897	34.8
217.19424	1.7
235.09656	3.8
235.13272	3.5
235.16940	100.0
244.78494	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	Macrophyllic acid A
Peak:m/z	Relative Intensity
55.05517	13.4
57.07079	26.9
59.04984	2.7
66.83933	1.9
67.05505	16.6
69.03432	4.0
69.07076	13.9
70.84629	5.5
71.04990	5.5
79.05515	13.4
81.03413	2.3
81.07076	24.2
83.08624	8.2
85.06546	4.9
91.05496	17.4
93.07047	21.7
95.04965	6.8
95.08080	2.4
95.08624	34.2
97.06570	4.4
97.10144	2.2
103.05480	2.4
105.07046	33.6
107.08611	43.9
109.06535	9.4
109.10159	18.5
111.08095	5.3
115.05430	3.6
117.07034	4.6
119.08595	99.7
121.06496	3.1
121.10161	18.7
123.04501	2.1
123.08076	6.6
123.11716	6.1
127.81113	1.8
128.06180	2.3
128.71573	2.1
129.07062	3.5
131.08600	13.5
133.09129	3.1
133.10143	58.8
135.08087	15.7
135.11713	11.9
137.09627	9.3
139.07599	1.8
142.07808	4.7
143.08557	11.1
145.06613	3.4
145.10127	14.4
145.27522	2.1
146.10835	2.4
147.08063	9.0
147.11699	23.5
149.09612	2.0
149.13306	4.9
151.11208	8.6
153.09097	2.4
156.09308	2.8
157.10167	8.8
158.10876	2.5
159.11728	13.3
161.09633	26.4
161.13275	7.2
171.11713	8.8
173.13280	19.5
175.11195	13.7
175.14836	24.4
177.12794	4.7
179.10689	17.6
184.12605	4.7
187.11171	4.6
187.14819	4.8
189.12738	4.5
189.16409	41.8
193.15883	2.7
199.14848	10.9
202.13570	2.6
217.15909	92.9
217.19501	8.9
220.12434	3.2
235.15077	4.2
235.16954	100.0
235.20447	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	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42265	0.3
53.86938	0.3
55.05516	0.9
57.03440	1.7
57.07084	0.4
60.15163	0.3
65.37491	0.3
71.98817	0.3
79.05488	1.3
81.07058	4.7
88.09810	0.4
94.04072	1.5
97.39007	0.3
98.97610	0.9
103.05476	1.0
111.72949	0.3
118.06546	0.8
119.03551	2.8
120.08120	7.6
136.06195	100.0
137.04617	1.9
140.72206	0.3
143.11098	0.3
144.08105	0.4
146.06004	1.4
148.06081	0.4
168.08923	0.4
177.00699	0.4
188.07124	1.5
190.10896	1.8
206.08163	1.4
214.08398	0.5
234.13515	61.2
235.13622	0.6
235.16837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0965
Annotation	GTRI-02
Peak:m/z	Relative Intensity
53.03940	6.0
53.92289	1.7
55.05511	3.7
57.07082	16.4
62.55229	1.2
67.05499	5.0
69.07073	2.5
69.93661	3.5
69.94071	3.9
71.04995	1.3
79.05502	7.6
81.03424	76.9
81.07049	6.1
83.04903	1.3
91.05490	25.1
93.07049	7.1
95.04990	2.8
95.08607	6.0
97.10162	1.2
103.05479	10.8
104.06264	3.3
105.07036	15.0
107.04959	16.7
107.08596	8.3
109.06554	1.5
109.10150	5.5
111.08051	1.8
115.05456	63.3
117.07031	63.0
119.04941	1.8
119.08594	16.5
121.06494	2.2
121.10135	3.8
123.04459	3.6
125.09664	1.4
128.06218	10.0
129.06978	12.3
130.04167	3.9
131.04955	6.9
131.08577	2.8
132.05722	10.0
133.06525	9.1
133.10135	6.0
135.08109	1.5
135.11703	2.7
143.04961	10.3
143.08568	2.3
144.05664	1.7
145.06491	96.1
146.07185	4.3
147.04399	4.3
147.08060	26.8
147.11720	5.1
149.13258	3.0
155.04877	2.2
155.06053	24.1
156.05707	23.5
157.06557	7.2
157.07657	2.1
157.10191	1.7
159.04376	1.9
160.05261	7.8
161.05986	15.0
161.09682	1.5
161.13222	2.7
163.07568	2.8
163.11293	1.7
167.07068	16.1
173.05998	100.0
174.06686	5.2
175.03920	4.9
175.07555	38.6
175.11234	2.5
175.14816	3.8
177.05527	1.9
179.10701	10.3
181.04962	2.0
184.05196	2.2
189.05554	2.3
189.12740	3.2
189.16379	6.9
190.06258	47.5
191.07011	4.7
191.10445	1.6
192.05760	1.8
192.07791	5.3
193.08566	5.9
199.14890	3.0
202.06236	5.0
203.07031	21.7
205.08611	27.7
207.08257	2.7
207.10124	20.2
217.08626	45.1
217.12115	2.4
217.15871	3.7
217.19623	1.8
235.07607	2.8
235.09654	45.7
235.13242	3.1
235.14966	1.8
235.16951	47.7
235.20547	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	234.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.8
55.77895	0.3
57.03445	2.2
57.21350	0.3
64.58146	0.3
70.26584	0.8
77.26283	0.3
79.05502	1.1
79.09335	0.3
81.07065	5.0
81.41282	0.3
84.96988	0.3
84.98036	0.3
86.51315	0.3
94.04061	1.2
97.42365	0.3
98.20860	0.4
119.03564	3.3
120.08062	0.4
136.06197	100.0
137.04579	1.1
148.06224	0.3
156.51413	0.3
190.10881	2.3
230.09616	0.3
234.13518	71.9
235.13783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.54891	0.4
55.01883	0.5
56.05041	18.0
56.96568	2.8
57.03436	3.1
58.06607	3.6
70.06587	0.4
70.24511	0.8
70.24910	1.2
71.61795	0.4
71.87120	0.4
72.08144	0.6
73.63203	0.5
74.06086	100.0
75.04491	0.8
75.06409	0.5
81.03413	0.6
81.07082	0.5
83.04956	0.5
84.04504	2.8
85.02927	0.8
86.06126	0.6
86.09714	21.4
91.05511	0.5
97.02930	0.6
98.97582	2.2
101.07163	2.4
110.97610	0.7
116.98664	0.5
119.08526	0.4
124.11311	0.4
126.12779	0.6
131.04875	0.4
132.10219	17.4
132.95819	0.6
142.12306	1.0
143.11868	1.0
145.06487	0.5
153.01898	1.2
155.04822	0.5
159.08023	0.5
161.04817	0.6
161.06146	0.4
169.13434	1.2
187.14433	10.7
197.47688	0.5
215.13902	3.7
231.01857	0.5
233.04536	0.6
233.15013	9.3
233.17168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03921	2.0
55.01857	4.3
55.05501	3.1
57.07063	1.8
58.08870	1.5
62.31494	1.4
65.03947	3.5
67.05517	12.1
69.03437	17.8
69.07046	3.4
69.34334	11.8
71.05001	7.6
78.53327	1.7
79.05499	13.0
81.03415	2.9
81.07054	13.3
83.04967	2.7
84.13626	1.4
85.06513	3.5
91.05484	28.4
93.06563	1.8
93.07047	16.2
94.54245	1.4
95.04962	12.9
95.08589	2.8
97.06524	2.9
98.21552	3.3
99.03923	1.9
99.04455	16.4
103.05463	4.2
104.74477	1.6
105.07037	58.2
107.04982	7.5
107.08615	9.4
109.06500	5.0
115.05460	12.0
116.06238	4.3
117.07018	32.3
119.04957	13.2
119.08582	19.7
121.06505	17.1
121.10122	4.0
123.08092	2.0
125.05971	1.8
128.06192	6.2
129.07008	14.6
130.07774	11.4
131.04887	6.4
131.08575	36.4
133.06514	7.5
133.10147	11.0
135.04366	5.0
135.08015	5.0
137.05981	4.9
141.06966	8.8
142.07784	3.0
143.08566	16.5
144.05666	6.8
144.09367	11.7
144.10361	2.5
145.05457	2.1
145.06497	26.0
145.10126	96.4
146.07187	1.7
147.08072	4.4
147.11668	5.8
149.05963	3.8
149.09613	1.9
153.06960	4.3
154.07762	11.2
155.06055	3.4
155.08505	6.0
156.09271	3.3
157.10074	4.8
158.07309	11.7
159.04410	3.1
159.08098	12.6
159.11696	57.2
160.03900	11.2
160.05118	2.7
161.06012	8.1
161.09593	3.6
161.13162	1.7
163.07536	4.4
163.11162	17.0
169.10132	23.9
171.08022	2.9
171.11687	5.1
172.05206	18.8
172.08842	6.8
173.05869	4.2
173.09628	90.2
173.13257	2.5
174.06758	3.8
175.07567	5.1
177.05437	2.3
177.09058	2.9
177.12766	3.5
179.08583	2.4
182.07199	2.8
187.07556	5.7
187.11182	100.0
189.09071	7.3
189.12747	3.4
191.06937	2.5
191.10640	11.0
197.09645	14.7
200.04616	4.5
201.12933	1.8
203.06967	5.8
205.04822	1.8
205.08527	8.0
205.12250	14.3
215.07321	3.5
215.10684	78.4
217.40738	1.8
218.05701	7.5
233.04326	2.8
233.08107	34.9
233.11693	60.5
233.15099	7.8
246.72939	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03945	3.9
55.01862	5.1
55.05497	6.3
65.03943	2.8
67.05511	14.2
69.03432	14.8
69.07050	5.9
71.05000	6.7
71.28857	2.2
71.29202	2.3
77.03922	1.6
79.05503	19.6
79.35874	1.5
81.03413	3.3
81.07069	16.4
83.04993	2.1
83.08607	1.9
85.06547	3.4
87.04468	2.4
91.05489	33.5
93.07052	30.6
95.04969	13.9
95.08621	8.3
97.06533	5.2
98.98457	3.0
99.04459	11.4
103.05441	5.0
105.07039	70.0
107.04956	9.4
107.08592	16.7
109.06538	9.2
109.10156	7.7
113.06026	1.8
115.03938	2.4
115.05471	8.2
116.06248	3.8
117.07020	35.5
119.04134	2.9
119.04955	59.3
119.08596	31.1
121.02895	1.5
121.06509	27.2
121.10157	5.4
123.04440	2.6
123.08058	3.0
125.05970	3.5
128.06201	6.4
129.07005	13.0
130.07780	9.7
131.04919	7.7
131.07605	2.8
131.08577	39.8
133.06514	7.5
133.10146	23.0
135.04395	2.8
135.08031	6.9
135.11650	4.2
137.05957	4.5
141.07001	8.0
142.07747	2.9
143.08578	13.6
144.05681	5.2
144.09406	8.9
145.06496	24.8
145.10136	100.0
147.08035	4.9
147.11699	12.3
149.05981	4.2
149.09645	5.0
151.07547	2.7
153.06998	1.7
154.07814	6.7
155.06065	3.8
155.08575	4.4
156.09370	2.7
157.06488	3.0
157.10110	4.4
158.07271	7.9
159.04422	3.9
159.08060	14.7
159.11705	51.5
160.05182	3.4
161.05971	5.8
161.09647	3.2
161.13226	3.4
163.03896	1.7
163.07544	6.2
163.11198	26.0
167.08540	2.2
169.10144	20.9
171.08043	3.3
171.11720	5.7
172.05191	8.8
172.08757	7.1
173.06044	7.0
173.09642	78.2
173.13176	8.2
174.06671	2.2
175.07600	6.9
175.11284	1.5
177.05522	3.1
177.09160	3.3
177.12758	3.5
179.08604	6.2
182.07227	4.1
187.07591	2.4
187.11189	79.4
187.14804	23.6
189.09122	5.7
189.12801	5.7
189.16412	1.6
190.06224	2.7
191.03383	2.6
191.10709	11.1
197.09641	21.6
197.13240	3.3
200.04739	2.4
201.05539	2.2
203.06990	2.7
205.04996	2.1
205.08588	9.1
205.10620	1.7
205.12236	13.6
215.07329	2.6
215.10686	60.1
215.14078	10.1
215.17949	1.6
218.05716	4.6
233.04457	3.0
233.08142	23.7
233.11737	59.4
233.15327	29.1
233.18973	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	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.43520	1.0
55.01868	2.3
55.05497	2.7
57.03416	1.2
59.83355	0.7
65.03946	1.2
67.05505	5.7
69.03432	6.1
69.07039	1.5
70.54993	2.5
71.04973	2.3
79.05499	5.6
81.03404	1.6
81.07047	5.8
83.04976	1.6
85.06527	1.0
91.04913	0.9
91.05482	14.6
93.07065	8.1
95.04971	4.6
95.08588	2.5
97.06519	1.6
99.04450	3.2
103.05459	4.9
105.03358	3.6
105.07038	17.7
106.23447	0.9
107.04939	2.5
107.08588	4.8
109.02853	1.1
109.06505	3.6
109.10141	1.3
111.04446	1.5
115.05468	12.7
116.06237	9.1
117.07032	15.8
119.04968	5.1
119.08584	10.2
121.02852	1.6
121.06515	6.4
121.10131	3.0
123.04447	1.1
123.08018	1.8
127.87555	0.9
128.05397	0.9
128.06230	4.9
128.07008	1.0
129.07014	9.7
130.07791	2.6
131.04918	9.0
131.08571	11.3
132.05736	1.8
133.06493	3.1
133.10117	4.2
135.08058	52.5
135.11649	1.4
136.08363	1.2
137.05972	2.4
141.07001	5.0
143.08560	3.8
144.05705	11.9
144.09387	4.1
145.06500	17.4
145.10133	24.1
147.04443	4.0
147.08049	3.4
147.11725	2.5
149.06003	1.6
149.09627	2.0
151.01668	0.8
151.07523	1.7
154.07768	2.9
155.04897	1.4
155.06021	3.9
155.08560	2.1
156.09358	4.7
157.06483	3.6
157.10130	2.6
158.07259	4.8
159.04428	7.3
159.08069	7.5
159.11719	18.0
160.05191	7.4
161.05986	13.6
161.09628	2.8
161.13277	1.1
162.06746	1.7
163.03938	2.4
163.07530	1.2
163.11218	5.3
169.06508	1.6
169.10146	5.8
171.08047	1.5
171.11700	2.7
172.05196	57.6
172.08800	9.7
173.06017	6.3
173.09624	32.9
173.13232	3.1
174.06763	4.6
175.03951	2.2
175.07558	1.9
177.05446	4.6
177.09102	2.4
182.07352	1.1
183.60599	0.9
187.03932	2.8
187.07605	6.5
187.11180	36.4
187.14772	3.0
188.11525	1.0
189.05476	2.4
189.09161	7.5
189.12704	2.9
190.06267	6.6
191.03415	1.3
191.06912	2.1
191.10640	4.6
197.09605	2.8
200.04724	13.5
200.58992	0.9
201.05484	2.4
203.07065	3.0
205.04965	4.9
205.08611	15.4
205.12253	3.8
215.03386	1.8
215.07016	7.5
215.10651	21.2
215.14088	1.7
215.17896	0.9
217.04988	1.1
218.05753	22.7
233.04712	8.1
233.08096	100.0
233.11591	19.9
233.15216	8.5
234.08391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.081
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
52.27501	0.9
53.03938	2.0
55.01859	3.8
55.05485	1.0
57.03431	1.3
65.03949	0.9
67.05518	2.2
68.99799	1.1
69.03424	2.1
69.31823	0.9
69.88210	1.8
69.88621	3.7
71.01351	2.5
71.04974	1.6
77.03893	1.1
79.05485	3.8
81.03424	1.9
81.07047	3.3
91.05492	14.4
93.07037	3.8
95.04953	2.1
95.08588	1.6
98.21537	1.2
99.04434	1.4
102.04688	1.1
103.05477	16.1
103.49811	1.0
105.07033	9.0
107.04950	3.7
107.08595	2.7
109.02876	2.1
109.06518	1.8
109.10178	1.1
111.04464	1.0
115.05463	28.9
116.06235	5.1
117.07030	64.8
118.04182	1.1
119.04935	4.4
119.08590	4.5
121.06497	5.0
121.10139	1.3
122.03624	1.0
127.05447	2.5
128.06219	4.1
129.07019	6.0
130.04156	1.5
130.07793	1.7
131.04945	32.6
131.08580	6.2
132.05687	1.4
133.06468	3.8
133.10143	2.1
135.08038	3.1
137.05998	13.2
141.07024	1.9
143.04918	2.6
143.08594	2.5
144.05714	16.3
145.06496	100.0
145.10144	11.7
146.03650	7.0
147.04454	5.2
147.08029	1.7
147.11652	2.9
148.05161	2.1
149.05956	3.5
151.03932	8.0
151.05017	1.5
155.04900	12.7
155.06062	5.8
155.08607	2.0
157.06485	3.1
158.07277	1.9
159.04424	18.7
159.08083	7.0
159.11728	5.0
160.05214	9.3
161.05995	22.1
161.09662	1.4
162.06732	4.0
163.03889	6.8
163.07567	24.0
163.11159	5.4
165.05476	1.5
171.04425	1.6
172.05212	15.7
172.08842	1.6
173.06010	23.9
173.09639	18.2
173.13277	2.7
174.06776	6.9
175.03912	2.7
175.07579	16.9
176.04706	3.0
176.08310	3.1
177.05515	12.1
177.07658	1.9
177.09125	28.5
183.04459	12.3
183.07994	1.4
184.05162	3.5
187.03917	6.6
187.07550	42.3
187.11215	7.3
187.14857	1.4
188.04642	1.3
189.05444	4.8
189.09129	12.3
190.06248	12.1
191.03407	2.8
191.07028	14.6
191.10672	2.2
200.04710	9.3
201.05461	11.2
203.07010	4.2
204.07796	3.4
205.04982	15.1
205.08606	24.8
205.12227	2.4
215.03381	3.4
215.07050	25.4
215.10481	6.6
215.14194	1.5
218.05753	3.1
233.04536	12.3
233.08080	58.6
233.11624	13.4
233.15236	6.7
233.19028	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0809
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.03935	1.7
55.01882	3.8
65.03924	1.3
67.05486	2.4
69.03419	2.2
71.01347	3.3
71.04990	1.1
71.49232	1.1
79.05481	3.0
81.03404	3.2
81.07049	3.3
82.92619	0.9
85.02905	1.1
87.70370	0.8
89.03873	0.8
91.05491	12.4
93.07041	3.2
95.04957	3.4
95.08634	1.0
96.01507	0.7
97.06538	1.9
99.04434	1.7
103.05479	15.4
105.07043	8.1
107.04958	4.8
107.08587	3.3
109.02929	1.7
109.06514	2.2
115.05462	29.3
115.06285	1.4
116.06284	4.2
117.07026	60.6
118.04164	1.0
118.52991	0.9
118.74590	0.8
119.04981	3.9
119.08581	4.0
121.06516	3.2
127.05438	2.0
128.06277	3.9
129.07019	5.6
130.07797	0.9
131.04944	27.7
131.08603	4.7
132.05693	1.9
133.06519	4.4
133.10100	1.7
134.07211	0.8
135.08029	3.3
137.05983	12.9
141.06931	0.7
143.04941	4.7
143.08525	1.2
144.05716	19.3
145.06496	100.0
145.10129	10.9
146.03653	8.8
146.07193	1.3
147.04463	4.0
147.08063	1.2
147.11621	2.1
148.05185	2.2
149.05965	4.3
149.09644	1.5
151.03938	6.6
154.07747	0.9
155.04893	12.6
155.06044	6.8
155.08504	2.5
156.05658	1.0
157.06509	4.1
157.10136	1.2
158.07269	1.5
159.04439	12.9
159.08034	7.2
159.11691	3.0
160.05219	9.2
161.06000	23.2
161.09641	1.2
162.06750	5.2
163.03925	3.7
163.07559	24.6
163.11169	4.6
169.10085	1.4
171.04442	2.3
172.03896	0.8
172.05191	16.4
173.06004	24.0
173.09663	13.5
173.13216	1.7
174.06798	5.0
175.03906	3.1
175.07556	17.7
176.04677	1.9
176.08318	2.8
177.05511	8.5
177.09126	29.3
177.10686	1.4
183.04422	10.1
183.08043	1.3
184.05164	2.6
187.03995	3.7
187.07565	44.1
187.11128	5.4
189.05554	4.9
189.07321	1.2
189.09114	13.7
190.06273	9.6
191.03398	1.4
191.07030	13.8
191.10686	3.2
197.09621	1.1
200.04738	9.7
201.05482	11.8
203.06989	2.5
204.07816	3.8
205.04994	7.9
205.06587	1.6
205.07100	0.9
205.08598	22.5
205.12201	2.6
215.03447	2.6
215.07047	26.0
215.10541	5.8
215.14110	1.0
218.05721	2.9
233.04622	7.8
233.08073	61.0
233.11629	12.8
233.15276	6.7
233.19107	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13502	1.0
55.01874	2.1
55.05515	1.9
56.58489	1.1
56.96568	36.6
57.03423	5.9
58.99853	2.0
59.61504	1.2
61.02667	1.2
61.02931	14.2
61.85254	1.0
66.05289	1.1
67.19464	1.0
69.03438	6.4
70.54379	1.0
70.98089	3.3
70.99843	2.8
71.05007	1.4
71.48220	1.8
71.48579	1.3
72.08157	4.4
73.02935	8.0
74.06085	1.9
81.03404	3.1
81.07081	1.7
82.99837	9.6
83.04993	1.8
84.04500	1.3
84.96040	5.1
85.01417	6.8
85.02916	9.2
86.09705	5.4
87.01160	2.2
87.04466	1.7
88.99113	1.3
89.00843	2.4
94.41676	1.0
97.01379	1.2
97.02887	5.1
98.96951	1.6
98.97585	26.1
100.99157	8.1
101.00885	66.2
102.00963	1.6
102.01567	1.6
103.00668	9.3
103.02443	9.5
105.02181	3.0
106.81527	1.2
109.02920	1.4
110.01258	5.4
110.97584	12.1
111.02953	1.6
113.00898	10.5
113.02338	4.1
115.02429	10.8
116.98627	7.2
119.01920	67.4
120.02066	1.8
121.01665	12.7
121.03518	2.6
124.99105	1.6
126.97047	2.6
127.02393	4.2
127.03910	3.7
128.02365	6.9
128.98607	10.5
131.00151	3.5
131.01909	14.7
133.01767	2.3
133.03474	54.7
133.39656	1.5
135.03143	2.6
137.02917	5.5
139.02536	2.3
140.98618	2.3
142.03487	1.4
143.00121	4.5
143.01906	94.5
144.98122	2.6
145.01662	4.4
145.03471	14.8
146.99615	6.3
147.03171	6.1
147.05037	4.9
148.01979	1.4
149.01154	5.3
149.02940	2.3
151.04520	11.1
153.01828	3.5
154.03056	1.5
155.01837	5.9
156.98021	1.5
157.01651	1.7
157.03513	8.2
158.99654	3.8
159.01353	2.9
159.03186	1.5
160.02042	1.3
161.02965	100.0
162.01817	2.2
162.03081	2.7
162.99110	2.7
163.02690	6.7
165.00688	3.2
165.04272	3.1
167.02025	1.4
168.98041	1.8
169.03561	1.7
170.99632	4.1
171.05130	1.2
172.97533	2.2
173.01282	3.4
173.02969	22.9
174.01767	2.1
175.02809	2.3
175.04523	6.7
177.00784	1.5
177.02420	3.1
182.06621	1.4
183.02257	1.8
184.04576	2.5
185.02974	5.2
186.99187	3.3
187.00900	8.4
187.02759	5.9
187.04372	8.6
189.00650	4.3
189.02299	2.3
189.05902	1.2
190.98621	6.6
191.00555	2.0
191.02226	12.6
191.04013	15.7
201.00697	3.0
201.02464	11.8
203.02261	2.6
203.04057	3.7
204.02840	3.1
205.05481	1.3
207.01833	1.9
208.99684	8.7
209.03313	3.2
210.02451	3.7
210.04332	3.6
213.03432	6.1
215.03909	9.9
217.00166	1.5
219.01823	1.9
219.03595	10.6
221.03319	2.0
230.97978	1.5
233.04901	18.0
233.06441	20.5
237.02840	5.2
251.04340	3.0
251.06395	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13502	1.0
55.01874	2.1
55.05515	1.9
56.58489	1.1
56.96568	36.6
57.03423	5.9
58.99853	2.0
59.61504	1.2
61.02667	1.2
61.02931	14.2
61.85254	1.0
66.05289	1.1
67.19464	1.0
69.03438	6.4
70.54379	1.0
70.98089	3.3
70.99843	2.8
71.05007	1.4
71.48220	1.8
71.48579	1.3
72.08157	4.4
73.02935	8.0
74.06085	1.9
81.03404	3.1
81.07081	1.7
82.99837	9.6
83.04993	1.8
84.04500	1.3
84.96040	5.1
85.01417	6.8
85.02916	9.2
86.09705	5.4
87.01160	2.2
87.04466	1.7
88.99113	1.3
89.00843	2.4
94.41676	1.0
97.01379	1.2
97.02887	5.1
98.96951	1.6
98.97585	26.1
100.99157	8.1
101.00885	66.2
102.00963	1.6
102.01567	1.6
103.00668	9.3
103.02443	9.5
105.02181	3.0
106.81527	1.2
109.02920	1.4
110.01258	5.4
110.97584	12.1
111.02953	1.6
113.00898	10.5
113.02338	4.1
115.02429	10.8
116.98627	7.2
119.01920	67.4
120.02066	1.8
121.01665	12.7
121.03518	2.6
124.99105	1.6
126.97047	2.6
127.02393	4.2
127.03910	3.7
128.02365	6.9
128.98607	10.5
131.00151	3.5
131.01909	14.7
133.01767	2.3
133.03474	54.7
133.39656	1.5
135.03143	2.6
137.02917	5.5
139.02536	2.3
140.98618	2.3
142.03487	1.4
143.00121	4.5
143.01906	94.5
144.98122	2.6
145.01662	4.4
145.03471	14.8
146.99615	6.3
147.03171	6.1
147.05037	4.9
148.01979	1.4
149.01154	5.3
149.02940	2.3
151.04520	11.1
153.01828	3.5
154.03056	1.5
155.01837	5.9
156.98021	1.5
157.01651	1.7
157.03513	8.2
158.99654	3.8
159.01353	2.9
159.03186	1.5
160.02042	1.3
161.02965	100.0
162.01817	2.2
162.03081	2.7
162.99110	2.7
163.02690	6.7
165.00688	3.2
165.04272	3.1
167.02025	1.4
168.98041	1.8
169.03561	1.7
170.99632	4.1
171.05130	1.2
172.97533	2.2
173.01282	3.4
173.02969	22.9
174.01767	2.1
175.02809	2.3
175.04523	6.7
177.00784	1.5
177.02420	3.1
182.06621	1.4
183.02257	1.8
184.04576	2.5
185.02974	5.2
186.99187	3.3
187.00900	8.4
187.02759	5.9
187.04372	8.6
189.00650	4.3
189.02299	2.3
189.05902	1.2
190.98621	6.6
191.00555	2.0
191.02226	12.6
191.04013	15.7
201.00697	3.0
201.02464	11.8
203.02261	2.6
203.04057	3.7
204.02840	3.1
205.05481	1.3
207.01833	1.9
208.99684	8.7
209.03313	3.2
210.02451	3.7
210.04332	3.6
213.03432	6.1
215.03909	9.9
217.00166	1.5
219.01823	1.9
219.03595	10.6
221.03319	2.0
230.97978	1.5
233.04901	18.0
233.06441	20.5
237.02840	5.2
251.04340	3.0
251.06395	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.6
57.07070	3.4
65.03912	1.1
66.14617	0.9
67.05508	22.0
69.06725	1.0
69.07076	11.3
71.50106	1.1
79.05506	8.8
81.07063	33.1
83.08617	6.0
91.05478	8.8
93.07050	23.5
95.04996	1.2
95.08613	57.8
97.10185	1.5
105.07037	14.8
105.99182	0.9
107.08603	30.1
109.10159	35.0
111.11726	1.5
119.08590	15.6
121.10146	30.0
123.11716	28.2
131.08531	1.9
133.10138	12.9
135.11699	35.0
137.13278	7.7
145.10088	2.0
146.10869	1.1
147.11707	16.1
149.12209	1.6
149.13278	16.6
158.79602	0.9
159.11711	1.3
161.13263	20.1
163.14816	2.3
173.13185	1.3
175.14836	17.4
187.14926	1.1
188.15543	1.6
189.16389	14.4
213.53644	1.0
231.10181	1.4
231.21091	100.0
232.21413	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1743
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
53.03944	1.3
55.05508	7.9
57.07068	2.6
65.03967	1.1
67.05516	9.2
69.03419	2.5
69.07073	13.0
69.48432	3.3
69.48857	4.7
79.05499	7.4
81.07066	15.0
83.04977	2.2
83.08610	6.4
85.68565	1.1
91.05482	11.0
93.07059	10.4
95.04994	7.2
95.08613	22.8
97.06554	2.0
98.21477	2.5
98.98457	2.8
105.07040	18.6
107.08599	18.1
109.06512	5.5
109.10160	13.8
115.05445	1.2
117.07018	5.0
119.08584	30.1
121.06500	2.1
121.10148	14.3
123.08070	3.8
123.11713	8.7
128.06297	1.3
129.06989	2.1
130.07799	1.4
131.08592	10.9
133.06583	1.2
133.10133	40.5
135.08043	4.7
135.11696	8.1
137.09676	1.3
141.07037	1.9
142.07791	3.6
143.08559	11.4
144.09346	1.4
145.10141	14.3
147.08058	3.8
147.11699	24.5
149.09673	3.3
149.13263	3.5
156.09355	6.4
157.10126	18.4
158.10898	5.2
159.11707	16.5
161.09630	19.8
161.13271	11.5
163.11125	1.3
163.14919	1.7
169.10054	1.6
170.10983	1.8
171.11697	14.5
173.09618	1.7
173.13280	29.3
175.11179	9.8
175.14827	4.4
183.11661	2.2
185.13245	4.1
187.14836	12.8
189.12823	5.6
189.16386	24.3
198.14037	3.2
201.12685	1.4
201.16336	2.1
203.14334	2.0
203.17967	9.3
213.13074	1.2
213.16394	27.4
231.13730	3.9
231.17456	100.0
231.20799	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	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03941	0.6
55.05516	10.7
57.03452	0.5
57.05821	0.8
67.05505	0.8
69.03443	4.2
69.07077	0.5
69.30671	0.4
69.84235	0.5
70.06584	0.8
71.05010	0.5
72.08161	100.0
76.60491	0.4
81.03430	2.2
81.07105	0.5
83.04988	0.5
85.02893	2.1
86.09714	4.9
87.04505	0.7
91.05472	0.9
93.07014	0.5
95.04997	0.5
97.02913	1.4
97.04206	0.4
97.06575	0.7
98.97581	0.5
98.98465	3.9
99.04497	0.8
105.07032	0.6
109.02900	0.9
111.04423	0.5
115.03919	0.5
115.05478	1.3
127.03958	1.2
129.07028	0.5
132.10222	4.0
133.06508	0.7
147.04483	1.5
155.01074	1.3
157.06532	1.1
157.12157	0.4
160.05284	0.7
161.06049	0.5
161.09665	0.5
171.04453	0.9
175.03957	0.7
175.07645	0.7
185.05896	0.8
185.16556	1.2
189.05630	0.5
189.09113	0.5
192.01077	0.5
203.03534	0.8
203.07074	1.1
213.05571	0.6
231.03056	2.3
231.06442	3.8
231.10214	0.8
231.17044	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	231.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
56.96573	22.3
57.03418	1.1
57.59186	0.8
58.99860	3.0
61.02919	0.9
69.03389	1.2
69.52469	3.9
69.52888	1.9
70.06573	2.5
70.98119	2.2
70.99849	2.3
71.95274	1.4
73.06562	2.7
81.72047	0.9
82.99844	4.9
84.96040	4.6
85.01402	3.5
85.02897	1.7
89.29977	0.9
94.99836	1.6
98.21475	1.1
98.97582	21.6
99.97916	3.0
101.00890	27.5
103.00626	3.8
103.02450	4.5
109.85102	0.9
110.97574	4.4
111.02931	4.0
112.99138	4.4
113.00876	13.3
113.04511	15.6
115.00674	2.0
115.02425	3.8
116.98617	10.0
117.04012	3.7
119.01074	1.8
119.01928	30.7
121.01660	6.9
121.03496	1.3
124.99120	3.1
125.04559	0.9
127.02400	1.8
127.64931	0.9
128.98573	3.3
129.00346	2.5
129.03983	14.5
131.00229	2.6
131.01915	28.2
131.05553	100.0
132.05653	1.3
133.01788	1.2
133.03468	6.3
134.48013	0.8
134.99602	1.2
135.03220	1.3
135.05058	2.0
137.02917	2.0
139.02486	1.5
141.00363	1.2
142.08627	1.0
143.00206	5.0
143.01888	7.3
145.03494	15.1
146.99586	1.8
147.01390	7.7
147.05028	6.1
149.01157	1.4
149.02988	6.3
149.06602	78.5
151.04543	1.0
151.06931	0.9
154.07169	1.2
155.01936	2.7
157.03455	4.0
158.99690	1.7
159.01398	3.8
159.05035	1.3
161.01265	2.8
161.02959	15.1
163.04446	3.2
167.01884	2.2
167.05502	4.6
167.07622	1.0
170.99889	2.0
171.01393	10.8
171.05034	4.0
173.02988	5.7
174.99103	1.3
177.00859	2.1
177.02440	5.7
183.01384	1.3
185.01360	1.3
185.03011	8.8
185.06609	51.9
187.04576	1.8
187.08157	9.1
189.00697	7.4
189.02457	32.4
189.04219	1.5
189.05986	4.3
190.02934	1.1
191.04036	2.0
198.99081	0.8
199.00890	1.3
201.02420	6.1
203.02307	1.6
203.03923	4.2
203.07635	16.1
205.09254	3.4
207.01733	3.4
207.03563	4.9
207.26848	0.8
208.04539	5.3
213.02711	1.7
213.06096	28.9
217.00119	1.5
219.03421	5.7
230.98091	3.0
231.03708	10.9
231.07156	63.4
231.16162	2.0
232.07423	1.7
233.04996	1.2
235.04999	1.1
248.99200	7.9
249.02415	1.1
249.04582	3.2
249.08229	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.7
55.01875	2.3
57.03431	3.0
61.02938	1.5
65.76572	1.0
67.48697	1.0
68.99815	2.6
69.03432	100.0
69.62030	5.2
69.62432	1.7
71.04997	6.7
73.79938	1.1
81.03419	44.5
83.01343	1.9
85.02908	44.2
87.00831	16.1
91.05464	1.0
93.07048	2.0
93.71143	1.1
97.02891	25.8
98.98492	1.3
99.04455	18.0
103.67670	0.9
105.01843	2.6
105.06998	1.0
109.02882	15.0
119.08588	1.6
121.94003	1.3
125.02413	1.1
127.03918	23.8
129.07056	1.5
143.04918	2.0
143.08508	1.7
145.04987	2.8
145.10103	1.2
147.04416	4.1
157.06514	1.8
157.10141	1.6
161.05988	3.4
175.07605	1.7
185.05922	1.1
185.09650	1.2
189.05495	5.3
203.07014	1.5
203.10764	1.2
213.03906	2.0
213.09096	1.7
213.12778	1.1
231.04774	5.4
231.10202	2.7
231.13792	1.4
231.17361	1.4
232.17018	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	25.7
61.02936	0.4
70.22276	1.2
71.95275	2.7
72.96034	2.0
74.97633	0.5
82.79297	0.4
83.97646	1.1
84.96027	0.9
86.09715	2.6
98.97591	100.0
101.00900	0.9
102.00979	1.2
110.97577	0.8
116.00225	2.0
116.98631	35.0
118.11450	0.4
119.01925	1.2
120.02023	1.4
124.00751	0.7
126.02336	1.1
128.98598	1.1
133.03548	0.4
134.01268	1.0
134.99667	6.0
140.03789	1.9
142.05426	2.5
146.99706	0.5
153.00626	0.6
153.02229	0.5
158.04903	1.5
160.06520	2.0
169.99930	0.5
170.04932	1.5
171.03311	3.3
178.07608	0.5
188.01022	1.0
188.05913	2.5
189.04355	8.8
202.07445	0.6
206.07019	7.7
207.01778	0.5
207.05394	2.3
212.05937	0.9
216.00540	0.8
224.08075	5.4
230.07028	12.6
230.15802	2.4
230.98053	0.4
231.05405	1.1
248.08105	13.2
248.99286	0.4
249.06438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.155
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
53.03915	0.5
55.01872	1.0
55.05499	0.5
55.80317	0.4
56.96302	0.6
56.96568	9.2
57.03442	2.3
58.06347	0.5
58.06599	5.7
58.99852	0.7
59.07372	1.1
60.08165	8.3
61.02948	1.9
65.97916	0.3
68.05019	1.1
68.98277	0.6
69.03438	2.0
69.52715	2.6
70.06596	39.1
70.28438	0.3
70.98141	2.2
70.99873	0.9
71.05000	0.5
72.08145	0.8
73.02923	2.5
78.44239	0.4
78.63631	0.3
81.03410	0.8
82.99854	2.1
83.04986	0.6
84.96021	1.0
85.01414	0.6
85.02482	0.4
85.02910	2.8
86.09703	0.6
86.97525	0.4
88.99117	0.4
89.00864	0.4
91.05448	0.4
96.08148	2.1
97.02884	2.1
98.06050	1.1
98.96941	0.8
98.97590	15.6
99.04478	0.7
101.00887	18.3
102.00973	0.5
103.00606	1.1
106.01034	0.8
109.02880	1.2
110.01288	0.9
110.97601	2.8
112.99152	0.5
113.00880	1.3
113.04491	0.4
113.05329	0.4
114.05533	3.5
114.09164	2.8
115.00647	0.5
115.02437	1.4
116.07095	1.3
116.57859	0.3
116.98623	6.1
117.02000	0.6
119.01929	23.8
119.51987	0.4
120.01998	0.6
121.01643	1.4
123.00211	0.5
124.07587	3.7
126.09153	0.6
126.98787	1.6
127.02403	0.4
127.03874	1.1
128.02332	2.5
128.98674	1.8
129.00281	0.5
129.02118	0.3
129.03937	0.4
131.00267	0.5
131.01920	3.5
131.05559	0.8
133.01596	1.1
133.03479	3.0
134.99673	1.1
135.03131	0.7
137.02950	3.0
137.06006	0.7
138.97072	0.4
140.98645	0.5
142.08644	33.4
143.00171	0.8
143.01869	1.5
143.05508	0.5
144.99846	2.0
145.01639	0.5
145.03481	1.7
146.99635	0.9
147.01385	1.0
147.03236	0.7
147.04347	0.4
148.03891	1.0
149.02937	0.6
149.06596	0.7
151.04655	0.5
153.01828	1.0
155.01843	0.4
156.03343	0.5
156.98056	0.8
157.02553	0.7
157.03607	1.0
158.04834	0.6
158.99765	0.8
159.01266	0.7
159.03233	0.5
160.02045	0.5
161.01210	0.8
161.02948	1.7
163.02638	0.5
163.03871	0.6
168.01797	1.3
168.51880	0.5
168.98270	0.7
168.99826	4.1
169.02536	1.1
169.03683	0.8
170.08127	1.8
170.99579	0.5
171.03233	0.5
172.97617	0.8
172.99329	0.7
173.01288	0.4
173.02980	0.9
174.99184	1.5
175.00673	0.4
175.02650	0.7
175.04616	1.0
177.00883	0.5
177.02399	1.6
179.02206	0.7
182.99725	0.4
183.02466	0.9
184.03087	0.9
185.06635	0.8
186.96809	0.4
186.99147	1.1
187.00900	6.6
187.02719	1.0
187.04526	2.8
188.06047	0.6
189.00696	0.9
189.02357	0.5
189.04337	1.2
191.02225	0.6
191.03960	0.6
192.02806	0.7
193.00194	0.7
193.03619	0.8
196.99324	1.3
197.01051	0.5
199.03638	0.4
201.02502	0.8
201.04201	0.5
201.05991	0.7
205.00203	0.9
205.01973	1.3
205.03787	0.8
205.05640	0.9
205.98804	0.6
206.07059	1.3
207.05420	0.8
215.00401	4.4
215.02263	0.6
219.01810	0.9
224.08104	0.9
229.05635	3.2
229.15488	100.0
230.15819	0.9
237.02782	1.6
247.01166	0.4
247.06732	0.7
248.08119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.05505	13.0
57.03415	15.2
60.98317	11.8
67.05519	100.0
69.07053	23.8
70.06571	15.7
79.05486	20.5
80.71543	11.2
81.07060	59.3
91.05463	30.5
93.07036	17.5
95.08603	15.5
96.20977	11.0
96.80357	12.8
98.21513	32.7
102.09174	11.8
105.07026	48.2
107.08588	25.3
109.10174	68.9
111.82328	12.2
119.08572	40.5
121.10178	17.0
123.11699	13.6
131.08545	34.6
133.10132	19.8
143.08551	14.2
145.10106	35.3
147.11668	66.0
155.08510	13.3
157.10138	31.2
159.11661	33.3
165.12761	34.3
169.10117	19.0
173.09612	11.9
173.11780	11.1
173.13293	22.9
175.11209	22.9
184.46182	12.5
187.11212	18.1
187.14908	16.6
229.12259	25.9
229.14307	55.3
229.15933	48.6
229.19534	52.3
229.23520	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
56.96563	2.4
57.03448	1.9
58.06605	5.9
59.07381	1.5
60.08162	7.6
61.02929	2.6
68.05021	1.2
69.03429	1.1
69.11196	0.4
70.06597	35.5
70.98113	0.8
70.99877	0.8
71.48891	0.6
72.08173	0.6
73.02911	1.7
81.03432	0.7
82.99851	2.9
85.01387	0.4
85.02911	2.0
96.08138	1.7
97.02904	1.3
98.06062	0.6
98.97591	3.2
101.00891	18.5
102.00948	0.9
108.97808	0.4
110.01293	1.1
110.97562	1.1
113.00871	1.7
114.05540	4.1
114.09187	1.7
115.02428	0.8
116.07111	0.6
116.98624	0.8
118.01083	0.5
119.01921	21.6
120.02027	0.9
121.01666	0.8
124.07603	3.2
126.09162	0.5
126.98786	1.6
127.03962	0.5
128.02354	2.3
128.98601	0.9
131.01904	3.1
132.00760	0.4
133.03470	3.4
135.03061	0.6
137.02945	2.0
141.01262	0.4
142.08643	31.9
143.01930	1.2
144.99893	2.1
145.01646	0.7
145.03499	0.6
146.99673	0.8
147.01352	0.5
148.02057	0.6
153.01358	0.5
157.03479	0.8
158.99573	0.4
161.02951	1.3
168.01746	0.7
168.99854	5.5
169.02533	1.1
170.08147	1.5
170.99686	0.6
172.99312	0.6
173.02943	0.6
174.01846	0.6
174.99190	0.4
175.04486	0.5
177.00844	0.4
177.02354	0.9
183.02325	0.7
184.03127	0.7
186.99286	0.5
187.00883	7.4
187.02524	0.5
187.04440	0.4
189.00612	0.7
196.99358	1.2
197.01044	0.7
205.02000	1.1
213.03596	0.8
215.00386	6.0
229.03372	2.3
229.15486	100.0
230.15805	1.3
237.02861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.05519	9.2
57.03158	1.1
57.03442	18.6
57.07081	2.0
59.05008	5.2
65.03944	1.9
65.64933	0.5
67.05511	100.0
68.05873	0.6
69.07069	2.3
70.28094	0.5
71.04993	3.1
74.15523	0.4
79.05510	1.7
81.07065	13.8
83.08630	6.5
85.06548	3.2
91.00948	0.5
91.05489	6.4
93.07047	3.2
95.04984	0.7
95.08624	4.8
98.20762	1.5
99.08086	0.8
104.07640	0.5
105.07055	1.0
107.08593	2.4
109.10167	82.2
110.10507	0.8
111.08101	3.0
119.08601	6.6
121.10164	0.6
129.07101	0.5
131.08589	0.7
137.09618	4.2
145.10155	0.7
155.10670	5.5
159.11684	0.9
162.49426	0.6
169.24666	0.6
173.11766	21.4
173.13161	0.9
211.14952	0.6
229.14333	26.8
229.19330	2.5
229.23593	3.7
230.14536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05513	9.1
57.03440	20.4
57.07069	1.3
59.05001	5.5
65.03943	1.1
65.88327	0.7
65.94608	0.7
67.05508	100.0
69.06721	0.6
69.07080	1.9
69.81854	3.5
71.04985	3.2
77.39420	0.6
78.54269	0.7
79.05499	1.7
81.07056	14.6
83.08633	7.0
85.06554	3.1
85.18390	0.6
91.05489	4.5
93.07072	3.2
95.08606	5.5
99.08119	0.7
107.08598	2.9
109.10162	87.1
109.84872	0.7
110.10483	0.9
111.08086	4.2
119.08588	6.7
131.08487	0.7
137.09641	4.2
155.10669	8.0
173.11745	21.2
229.14336	22.8
229.19499	1.2
229.23514	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1224
Annotation	Mansonone C
Peak:m/z	Relative Intensity
50.53830	0.5
53.03947	5.3
55.01867	0.8
55.05509	1.0
65.03922	1.2
67.05511	2.9
69.03431	23.0
69.07031	0.6
69.31345	3.2
69.31769	1.3
70.59087	0.5
75.55878	0.6
77.80416	0.6
79.05483	2.4
81.03385	0.6
81.07037	1.6
83.04968	2.8
91.05483	7.5
93.03392	1.5
93.07048	6.6
95.04966	2.3
95.08562	0.6
98.48358	0.5
98.97572	0.5
105.07027	5.9
107.04934	0.6
107.08585	0.8
109.02883	17.2
109.06511	1.3
109.10151	1.6
115.05447	1.4
116.06188	0.7
117.07022	2.3
119.08585	8.6
121.06514	9.4
121.10113	1.6
128.06229	2.5
129.07004	4.4
130.07761	1.5
131.08565	14.9
133.06522	0.6
133.10126	11.3
135.08057	1.4
141.07002	3.1
142.07758	2.5
143.08560	13.3
144.09367	5.9
145.06464	4.1
145.10132	9.4
146.07268	0.8
147.08026	1.1
153.06987	2.5
154.07780	0.8
155.08569	5.0
156.09306	1.0
157.06497	1.3
157.10165	3.7
158.07266	2.1
158.10921	16.7
159.08063	9.5
159.11696	11.3
160.08838	0.8
161.09615	1.2
167.08563	0.8
168.09369	6.1
169.10129	2.4
170.10915	7.7
171.08066	8.4
171.11691	1.2
172.08829	10.1
173.09636	43.8
173.13264	43.4
175.07547	1.3
178.07765	1.0
181.06477	1.8
183.11702	9.3
185.06030	1.1
185.09654	3.3
185.13246	1.8
186.10405	25.1
187.07710	3.2
187.11182	67.8
188.11554	0.7
189.09029	0.7
193.08311	0.5
193.10092	1.5
195.07965	1.2
196.08812	7.1
199.03806	1.0
199.07541	2.3
201.12752	56.1
202.13080	0.9
211.11180	13.6
214.06232	2.3
214.09891	6.0
229.08551	3.8
229.12242	100.0
230.12602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
56.96569	7.3
57.03442	5.7
58.06605	6.6
58.99866	1.1
59.07389	1.0
60.08169	5.9
61.02936	9.2
68.05044	0.9
69.03436	2.8
70.06599	33.9
70.98123	2.0
70.99863	4.0
71.00751	1.1
71.05009	0.7
71.95242	0.7
72.08150	0.9
73.02914	4.8
77.84360	0.6
81.03427	1.2
82.99838	9.9
83.01567	0.7
84.96048	1.1
85.01427	1.2
85.02921	5.7
86.09741	0.7
86.99345	0.8
87.04449	0.6
88.95300	0.6
88.99162	1.0
89.00883	1.8
91.02431	1.0
95.00777	0.9
96.01663	0.6
96.08150	1.6
97.02899	5.3
98.97595	11.1
101.00892	69.5
102.00992	1.6
103.00646	2.3
103.02446	1.6
109.02927	0.9
110.01274	2.7
110.97621	3.3
111.00380	0.8
111.02930	1.4
113.00871	5.3
114.05536	3.7
114.09122	1.3
115.00572	1.1
115.02461	4.5
116.07118	1.9
116.98641	1.7
117.00227	0.9
117.02043	0.9
118.01106	0.8
119.01929	100.0
120.02036	1.9
121.01645	1.7
121.02885	1.3
123.00230	0.7
124.01011	1.0
124.07603	2.9
124.95486	0.9
125.01840	0.6
126.98804	6.3
127.01596	0.6
127.02441	1.4
127.03920	1.1
127.95512	0.6
128.02348	5.5
128.98610	3.8
129.03990	0.8
131.00278	0.9
131.01918	11.5
132.00771	1.5
132.02057	0.7
133.01695	1.3
133.03479	13.0
134.03546	0.7
135.03091	4.4
137.02968	11.4
139.01558	1.6
139.04205	1.7
140.98566	1.2
142.03522	1.5
142.08644	30.4
143.00198	1.2
143.01936	4.1
143.05563	0.6
144.99844	9.5
145.01588	1.3
145.03496	1.9
146.02312	0.8
146.99693	1.5
147.01367	2.1
147.03227	2.4
147.05043	1.3
148.02032	1.5
148.03758	0.8
148.04755	1.9
149.02960	1.6
151.04512	1.9
153.01318	1.0
154.02022	0.7
154.98251	0.6
155.01880	1.0
156.03488	0.7
156.98106	0.6
157.03517	2.8
158.99635	1.7
159.01324	1.0
159.03265	0.7
160.02049	1.2
161.01601	0.9
161.02972	4.7
162.01797	1.9
162.03142	0.9
163.00989	0.6
163.02657	1.7
168.01805	2.4
168.98386	1.0
168.99849	20.1
169.02495	3.0
169.03783	0.9
170.08144	1.2
170.99689	1.4
172.99362	4.1
173.00842	1.0
173.02957	2.2
173.99431	0.8
174.01833	1.1
174.99210	1.2
175.02621	1.7
175.04541	2.2
177.00972	0.8
177.02348	3.4
179.02121	0.8
183.02403	1.3
184.03098	1.7
185.02980	0.6
185.06512	0.7
186.99309	1.1
187.00903	27.5
187.02605	1.9
187.04337	2.8
188.01131	0.7
189.00696	1.7
189.02351	0.7
189.04259	1.1
190.03085	0.7
190.98654	0.9
191.04015	1.4
192.02797	1.0
193.00191	1.0
196.99310	6.6
197.01118	3.1
197.02905	1.1
199.00865	1.0
201.00778	1.0
201.02530	1.2
201.05869	0.8
204.02893	1.1
205.00285	1.1
205.01953	5.0
205.03754	1.4
205.05600	1.3
210.02536	0.8
211.04575	0.8
213.03377	0.9
215.00380	25.3
215.02072	1.2
217.00104	0.9
219.01711	1.1
220.04160	1.1
229.03436	1.9
229.05406	2.1
229.15491	89.0
231.15347	0.7
237.02791	2.0
244.99791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05526	0.6
56.96569	7.3
57.03439	4.3
58.06604	5.5
58.99858	1.0
59.07389	0.8
60.08164	6.5
61.02926	9.5
68.05048	0.9
68.98293	0.8
69.03436	2.7
70.06594	34.9
70.40459	1.7
70.98115	2.4
70.99870	3.5
72.08166	1.5
73.02910	5.2
77.00912	0.5
80.84975	0.6
81.03419	1.5
82.99845	7.6
83.04992	0.8
84.96034	1.0
85.01392	1.2
85.02900	4.9
86.09713	0.8
86.99352	0.5
87.04446	0.6
88.99159	0.8
89.00858	1.7
90.01538	0.8
91.02454	0.7
96.08132	1.2
97.02901	4.4
97.79652	0.5
98.06082	0.7
98.20903	0.5
98.97586	10.5
99.04415	1.2
100.02604	0.6
100.04243	0.5
101.00886	56.9
102.00948	1.2
102.96879	0.6
103.00606	2.0
103.02437	2.6
103.03910	0.5
104.01317	0.6
109.02872	1.4
110.01321	2.5
110.97570	3.5
111.00343	0.6
113.00879	5.1
113.02417	0.9
114.05541	4.4
114.09161	2.1
115.02412	3.9
115.60107	0.5
116.07097	2.6
116.98629	2.1
117.02026	1.4
117.02882	0.7
118.01057	1.0
119.01918	75.6
120.02020	1.8
121.01655	2.0
121.02911	1.2
124.07661	2.5
124.99156	0.8
126.02603	1.4
126.09156	0.9
126.98787	4.4
127.02435	0.6
127.03918	2.0
127.98914	0.5
128.02315	4.4
128.98616	4.1
129.00333	0.8
129.03926	0.7
131.00157	0.6
131.01907	9.7
132.00752	1.4
132.01872	0.4
133.01627	0.8
133.03471	11.5
134.03552	0.5
134.99669	0.6
135.03119	5.5
137.02959	9.6
139.01523	0.8
139.02441	0.7
139.04202	2.0
140.98582	1.4
142.03593	0.7
142.08638	32.1
143.00125	1.0
143.01898	4.0
144.99818	6.9
145.01627	1.4
145.03508	3.0
145.05006	0.5
145.99963	0.9
146.02274	0.7
146.99670	1.3
147.01376	1.9
147.03203	1.7
147.05005	0.9
148.02043	1.2
148.03743	1.2
148.04778	2.0
149.02966	2.0
151.04539	2.2
153.01280	0.8
155.01875	0.9
157.01541	0.8
157.03558	1.4
158.99704	1.4
159.01346	1.2
159.03276	0.6
160.01968	1.4
161.01054	0.6
161.02969	5.2
161.06607	0.7
162.01819	2.1
163.02705	0.9
168.01808	2.1
168.98398	1.1
168.99846	16.7
169.02458	0.6
169.03706	0.6
170.08145	1.4
170.99681	1.5
171.05235	0.7
172.99377	2.7
173.01186	1.5
173.02789	2.6
173.99471	1.5
174.01825	0.8
174.99132	1.4
175.00989	0.7
175.02617	1.6
175.04530	2.0
176.03352	0.9
177.00800	1.1
177.02431	2.4
178.02771	1.0
183.02328	1.6
183.07683	0.5
184.03151	2.3
184.97609	0.6
185.02875	0.8
186.99280	0.9
187.00900	21.6
187.02603	1.3
187.04526	2.0
189.00751	1.6
189.04321	0.8
190.03087	1.2
191.00481	0.9
191.02272	0.9
191.03993	1.3
192.02914	0.9
193.00201	0.8
193.03651	1.3
196.99321	5.4
197.01091	3.2
197.02824	0.6
198.02907	0.6
201.00644	1.5
201.02409	1.1
201.04193	0.7
204.02850	1.1
205.00169	1.1
205.01967	4.0
205.03740	0.7
210.02568	0.8
211.04601	0.7
213.03375	0.7
215.00378	21.9
215.02069	1.0
216.00621	0.7
217.00264	0.8
219.01634	1.2
219.03632	0.7
220.04289	1.4
223.01199	0.6
229.03372	2.8
229.05560	2.0
229.15480	100.0
233.01384	1.2
237.02818	1.8
247.06705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03939	5.6
55.01873	15.8
55.05519	42.4
57.03458	9.1
57.07082	6.1
59.04988	6.8
67.05497	16.9
69.03436	14.1
69.07077	29.2
71.04990	23.4
71.41042	9.7
79.05496	32.2
80.96214	5.6
81.03433	6.3
81.07048	33.2
83.01343	20.3
83.04983	17.4
83.08610	18.1
85.06547	18.7
91.05499	35.8
93.03406	8.8
93.07046	43.0
95.04981	22.7
95.08617	33.2
95.71593	5.5
97.06532	23.4
97.10162	8.2
99.04465	40.3
99.08119	53.9
100.11263	48.2
101.05999	8.8
103.05461	7.3
105.03363	6.3
105.07027	29.0
107.04951	16.9
107.08603	61.3
109.06509	22.0
109.10183	38.8
110.61665	5.7
111.04500	8.7
111.08103	16.2
119.08563	17.4
121.06553	45.8
121.10163	86.8
123.04454	21.6
123.08031	8.9
123.11707	11.8
125.06007	11.4
125.09637	29.1
127.11248	5.2
129.07001	6.1
131.04994	5.9
131.08598	15.5
133.10141	60.1
135.08063	20.6
135.11694	21.3
137.06017	9.9
137.09685	18.4
137.13297	10.6
139.07578	20.7
139.11145	8.2
140.04730	9.6
147.11732	9.1
148.05196	23.9
149.06020	38.3
149.09624	72.1
149.13252	31.1
151.03879	8.4
151.11201	28.1
152.04718	6.4
152.06161	9.3
153.05524	7.5
153.09116	20.2
154.12233	11.0
155.07103	7.3
163.03964	8.4
163.14867	29.9
165.07005	9.1
166.07828	12.1
167.07065	100.0
167.08557	38.7
169.06526	6.2
169.12299	6.2
171.14903	13.9
173.13272	39.3
177.05531	39.6
181.04945	10.2
184.05368	7.8
188.52849	6.4
190.44131	5.9
191.14339	55.6
194.05804	28.2
195.06531	58.4
195.08113	37.4
197.05991	15.0
209.06155	6.9
209.08075	92.8
209.15312	88.2
212.08440	11.6
227.07014	18.4
227.10782	70.7
227.16362	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.94882	3.3
54.72143	2.9
55.05516	25.0
57.03434	9.2
57.07064	6.0
65.63958	2.8
65.83779	3.8
67.05508	27.0
69.03436	7.3
69.07071	42.2
70.75932	9.0
71.01337	4.6
71.04980	14.0
79.05492	20.6
79.64907	3.2
81.07066	49.2
83.04966	10.5
83.08622	9.8
85.06532	6.6
87.04468	6.2
89.94028	3.8
91.05480	25.2
93.07056	56.8
95.04964	14.4
95.08612	50.8
97.06517	13.3
97.10145	5.1
99.04424	3.8
99.08060	7.6
100.11237	10.3
105.07041	26.2
107.08611	46.8
109.06508	9.6
109.10165	30.0
111.08092	8.0
111.11716	3.9
119.08582	14.0
121.06557	4.6
121.10159	100.0
123.08073	14.4
123.11706	43.5
125.09615	15.1
127.07479	4.8
127.11228	33.0
131.08569	10.3
133.10147	42.9
135.08047	12.3
135.11694	12.6
137.09634	17.4
137.13275	27.1
139.11165	7.4
145.10153	5.0
147.11751	16.1
149.05966	4.0
149.09627	88.2
149.13254	30.7
151.11206	35.4
153.09102	15.1
155.07042	4.1
158.10925	4.0
161.13181	3.8
163.14865	22.5
165.12775	17.9
167.07066	16.5
167.08318	3.6
167.10689	65.6
167.14386	4.2
173.13290	27.6
179.14328	3.6
181.04927	3.6
191.14331	39.1
209.15366	31.1
213.17889	4.4
227.16399	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03936	2.8
55.01864	4.0
55.05523	6.7
57.03430	5.0
57.07061	5.2
59.04987	4.2
65.03933	3.4
66.54277	1.5
67.05511	10.1
69.03403	4.2
69.07069	10.9
70.07600	1.3
70.83928	2.1
70.84265	2.6
71.04999	28.2
73.02904	5.9
73.06552	2.0
79.05506	11.8
81.07064	17.4
83.04963	6.1
83.08609	5.6
85.06548	23.5
91.05486	8.3
93.06489	2.9
93.07043	31.3
95.04975	100.0
95.08616	19.9
97.06542	19.3
97.10164	3.2
99.04459	11.7
99.08101	38.2
100.11230	3.3
105.07027	14.3
107.04944	2.8
107.07898	1.8
107.08604	29.0
109.06521	17.0
109.10155	9.0
111.04442	3.4
111.08087	8.0
113.06013	2.2
113.09666	1.5
115.07565	10.8
117.07006	2.8
119.08590	10.5
121.06498	3.3
121.10142	26.5
123.04436	4.7
123.08048	4.3
123.11696	8.4
125.05981	2.0
125.09633	13.5
127.07564	19.1
131.08574	15.1
133.10141	41.3
135.08049	8.4
135.11694	8.0
137.09592	3.8
139.03853	2.4
139.11201	16.5
140.04686	10.0
141.34723	1.7
143.10684	3.3
145.10155	4.1
147.11691	9.1
149.06047	1.8
149.09647	11.7
149.13298	11.1
151.11223	7.3
153.09109	35.0
155.07076	9.6
158.10960	1.8
163.11224	3.3
163.14807	7.7
165.09131	1.7
165.12679	1.9
167.07039	6.8
167.10655	5.5
167.14299	1.5
171.10193	16.8
173.09756	1.5
173.13277	17.7
177.05585	1.6
179.06947	1.7
181.04964	13.2
183.06487	1.7
191.10678	7.7
191.14290	13.7
193.07065	1.3
195.06540	4.5
209.08107	9.0
209.11783	8.9
209.15366	20.6
212.65053	1.5
227.09073	3.3
227.12910	2.4
227.16420	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01871	1.3
55.05516	10.0
56.02658	1.4
57.07063	1.4
57.30536	0.8
67.05508	24.9
69.03423	1.1
69.07076	5.9
71.04996	100.0
71.50546	1.2
74.37968	0.8
79.05489	11.6
79.29117	0.8
80.05833	0.8
81.07057	37.2
83.04989	2.0
83.08620	6.8
85.06553	2.0
91.05478	8.2
93.07050	17.8
95.04954	2.6
95.08614	19.9
97.06553	4.2
97.10169	2.5
99.08102	1.3
100.11259	6.2
105.07028	5.5
107.04964	1.4
107.08604	7.7
109.06508	1.5
109.10166	3.4
111.08089	2.4
113.06004	1.1
115.05498	1.0
117.07008	5.6
119.08583	5.9
121.06546	1.4
121.10155	3.0
121.89195	0.8
123.11711	1.0
125.09628	2.9
128.06224	2.1
129.06967	2.0
131.08566	8.7
133.10133	5.2
135.08069	1.3
135.11707	9.5
142.07794	4.8
143.08560	8.0
145.10109	2.8
149.05952	1.5
149.13289	6.0
155.08585	1.7
156.09302	3.7
157.10138	19.7
159.11696	8.8
163.11292	0.9
167.07053	6.2
167.08362	1.4
169.10161	2.3
170.10963	1.1
171.07936	0.8
171.11694	11.2
175.14853	1.1
177.05446	2.2
177.12729	2.5
181.04962	1.0
183.11696	1.9
184.12502	1.2
185.13286	7.5
195.13768	1.2
197.13309	1.1
198.14082	0.9
199.14827	2.7
209.15166	1.2
212.15598	1.2
227.07086	1.8
227.10617	2.1
227.12543	1.3
227.13190	1.3
227.14632	7.4
227.17955	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03933	1.4
55.01873	3.5
55.05501	6.3
57.03433	3.2
57.07067	6.0
60.54392	1.3
64.67583	1.4
64.70805	1.2
65.03930	2.1
67.05510	32.1
69.03423	2.6
69.07082	9.0
69.25833	3.6
69.26251	8.5
71.04998	19.2
73.02897	3.7
76.65659	1.3
77.03917	1.5
79.05495	32.4
81.03449	1.5
81.07058	16.0
83.04991	8.8
85.06548	100.0
91.05485	23.2
93.06493	1.9
93.07050	27.2
95.04977	14.8
95.08597	4.5
97.06517	3.9
99.04470	2.8
99.08125	6.8
100.11277	6.3
103.05439	2.1
105.04531	1.5
105.07047	20.3
107.04956	13.7
107.08593	32.2
109.06540	7.1
109.10163	1.5
111.04438	13.1
111.08112	1.4
117.07014	8.6
119.08600	17.2
121.06526	15.3
121.10147	24.0
123.04437	3.4
123.08065	3.0
125.06025	7.2
125.09627	2.3
129.07013	6.4
130.07809	2.0
131.08577	67.7
133.10117	5.9
135.04424	1.4
135.08047	4.4
135.11667	6.1
137.05959	4.3
137.09619	9.5
139.07489	1.7
139.11169	2.6
140.04691	4.9
145.06427	1.4
145.09125	1.3
145.10121	28.0
147.08057	6.5
147.11565	1.9
149.05972	4.8
149.09631	70.9
149.13205	2.1
151.11133	2.2
153.05432	4.2
153.09106	2.0
155.07019	7.3
155.08423	2.0
163.07509	4.5
163.11194	23.7
163.34740	1.3
165.09114	12.8
167.07065	8.7
167.10692	31.3
173.09601	5.8
173.13260	1.6
179.07117	1.7
179.10612	2.0
181.04938	8.7
187.13585	1.4
191.10674	55.8
191.14308	2.8
197.11746	2.8
209.08145	1.9
209.11748	47.8
209.15199	2.4
227.12773	19.0
227.16437	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	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03934	1.8
55.01863	1.5
55.05513	0.8
56.07330	0.3
67.05487	0.9
69.07069	0.6
70.23848	1.7
77.03916	0.6
78.04713	3.7
79.05492	2.7
80.58355	0.4
80.75381	0.4
81.07034	0.8
83.08599	0.6
87.71852	0.4
89.03908	0.9
91.05492	7.0
93.07063	3.7
95.04992	2.2
95.08588	0.4
97.10175	0.5
98.20812	0.6
100.11271	1.7
103.05483	5.9
105.03368	1.2
105.07063	0.9
106.04193	2.4
107.04951	2.7
107.08593	0.7
109.06522	0.8
109.10128	0.5
117.03365	1.4
118.66474	0.4
119.04942	1.5
119.08566	0.5
120.05730	0.7
121.06510	12.4
122.03635	0.8
123.04434	7.9
124.05219	2.6
128.06168	0.5
129.06999	0.6
131.04941	5.5
131.05881	0.7
131.08621	0.5
133.02840	1.6
133.10150	0.4
134.03632	2.3
135.04425	1.2
137.05978	8.7
138.60144	0.4
140.04698	2.7
142.07884	0.4
143.08595	1.7
145.02832	1.2
145.10100	0.6
147.04411	1.4
148.05191	1.8
149.05989	14.0
151.03908	1.5
152.04759	2.1
155.07018	1.9
155.08429	0.5
156.09311	0.5
157.10132	3.5
159.04433	4.2
161.97403	0.4
163.03931	1.1
165.05447	0.7
167.07045	100.0
168.07381	0.8
169.10132	0.5
171.11710	2.6
176.04707	0.8
177.05479	23.7
178.05920	0.6
181.08618	1.5
182.95308	0.5
183.11595	0.7
185.13303	1.4
191.07071	1.0
194.05728	0.8
195.06470	0.5
197.08066	0.6
199.14775	0.5
209.08081	6.5
209.13428	0.5
227.06999	1.3
227.08971	0.9
227.10861	0.7
227.14337	1.3
227.17947	5.1
232.13684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03946	2.5
55.01883	6.0
55.05504	1.0
57.03477	0.7
62.93924	0.6
65.03949	5.9
67.05510	5.1
69.03425	1.8
69.07034	0.9
69.95236	3.1
71.04995	1.7
73.02926	41.2
76.95190	0.7
79.05484	1.2
81.07021	0.7
82.04204	3.1
85.02928	4.4
91.05481	2.6
93.03419	2.7
93.07040	3.1
95.04990	7.9
95.08632	1.7
97.06533	2.6
98.21532	0.8
99.04443	1.3
100.11250	5.3
103.05479	1.8
105.07059	1.1
105.71019	0.6
107.04960	1.3
107.08610	1.4
108.02084	0.8
109.06518	0.8
110.03667	4.2
110.97607	0.7
111.04427	1.3
121.06535	3.3
121.10173	1.7
123.04438	9.1
123.08116	0.9
125.02345	3.1
125.06002	2.3
133.10162	1.6
137.06001	1.2
138.03110	1.5
140.04703	52.9
141.63086	0.8
142.02620	3.1
149.05977	1.7
153.05457	4.6
155.07051	63.0
165.05547	0.6
167.07077	8.7
171.06514	3.1
173.02089	0.8
173.08084	2.8
173.13246	0.9
177.05475	2.2
179.07056	3.2
181.04984	100.0
181.08310	3.9
209.08119	21.3
209.16536	0.8
227.07045	1.6
227.09178	14.6
227.16405	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.02387	0.5
53.03959	1.5
53.06858	0.3
55.01871	1.1
55.05508	0.8
65.03945	0.5
67.05506	0.7
69.07076	0.7
69.32271	0.6
69.32673	2.7
73.56386	0.3
77.03933	0.4
78.04705	3.6
79.05492	2.7
81.03406	0.5
81.07052	1.2
83.08650	0.5
89.01190	0.3
89.03922	1.1
91.05487	7.1
93.07053	4.1
95.04979	2.2
95.08602	0.7
97.06520	0.4
100.11260	1.0
103.05472	6.6
105.03405	0.8
105.04490	0.8
105.07043	0.7
106.04176	2.8
107.04969	4.0
107.08590	0.6
109.02847	0.4
109.06518	0.8
117.03384	1.6
118.46083	0.3
119.04942	1.4
121.06515	11.0
121.10149	0.7
122.03642	1.1
123.04435	8.1
124.05212	1.9
125.06084	0.4
131.04936	6.4
133.02864	1.2
133.10117	0.3
134.03648	1.9
135.04414	1.4
135.11633	0.4
137.05989	9.6
140.04675	3.3
143.08572	0.6
145.02861	1.2
147.04416	1.2
148.05191	1.9
149.04788	0.7
149.05994	14.8
150.06319	0.4
151.03925	1.8
152.04683	1.8
155.07095	1.7
155.08263	0.5
157.10149	0.9
159.04410	3.8
159.11755	0.3
162.03102	0.5
163.03922	1.0
163.07513	0.7
163.11179	0.7
165.05444	1.2
166.06265	0.5
167.07048	100.0
168.07405	1.4
171.11707	0.8
176.04701	0.7
177.05482	25.7
178.06015	0.5
180.07831	0.7
181.08635	0.8
185.13313	0.4
191.07048	1.6
194.05792	1.1
199.09129	0.4
209.08110	7.6
209.09981	0.6
222.04881	0.4
227.06989	0.9
227.08977	0.7
227.10751	0.7
227.12657	0.7
227.14539	0.5
227.17966	1.9
228.17487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03935	1.5
55.01859	1.5
55.05500	1.5
57.07067	0.5
65.03921	0.6
67.05503	1.1
69.07064	1.5
70.80857	1.5
71.04989	0.6
73.02905	0.6
77.03946	0.7
78.04720	4.5
79.05489	2.2
81.03403	0.6
81.07078	1.3
85.06584	0.7
89.03909	1.4
91.05486	7.1
93.07047	3.7
95.04967	2.0
95.08614	0.9
97.06483	0.5
100.11241	2.0
103.05470	7.6
105.03398	0.8
105.04565	1.2
105.07066	0.6
106.04179	2.4
107.04961	4.4
107.08620	1.6
109.02888	0.6
109.06532	1.1
109.10103	0.8
117.03364	1.8
119.04922	1.4
121.06512	12.8
121.10160	0.7
122.03647	1.4
123.04430	8.6
123.11729	0.8
124.05195	2.1
125.05998	0.5
131.04942	5.9
133.02832	0.8
134.03664	2.5
134.81230	0.5
135.04465	0.6
135.11656	0.8
137.05028	0.8
137.05995	9.5
140.04694	3.9
141.05475	0.7
145.02861	1.1
147.04410	1.2
148.05164	1.5
149.05983	12.5
151.03862	1.4
152.04698	2.1
152.05923	0.6
155.07011	2.2
157.10126	1.5
159.04419	4.4
162.03134	0.7
163.03882	1.2
163.07588	0.9
163.11168	0.6
165.05489	1.0
166.06259	0.7
167.07047	100.0
168.07399	0.9
169.04956	1.6
171.11674	1.0
176.04680	0.7
177.05481	26.3
178.11542	0.5
181.05016	0.6
181.08614	1.4
181.10059	0.5
184.05302	0.5
184.94502	0.5
185.13287	1.3
191.06982	1.4
194.05678	0.8
209.08070	5.4
227.06999	1.4
227.10593	1.5
227.14320	1.2
227.17943	2.8
229.58583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03945	1.5
55.01865	1.1
55.05498	1.2
57.03421	0.8
58.55157	0.6
67.05497	2.0
69.07057	1.2
71.04996	6.4
71.27484	0.6
75.51591	0.6
78.04722	3.4
79.05486	2.1
81.07055	2.2
83.05003	0.7
83.08612	1.2
84.87716	0.6
85.06543	2.7
89.03927	1.4
91.05489	7.3
93.07038	5.2
95.04961	3.1
95.08596	2.0
97.10180	0.6
98.20698	0.9
99.04463	13.0
99.08087	1.4
100.11298	3.3
100.11843	0.6
103.05472	6.7
105.04477	0.7
105.07025	2.1
106.04163	3.3
107.04976	3.7
107.08610	3.2
109.02894	0.7
109.06499	1.5
109.10148	2.1
117.03362	2.2
118.04137	0.7
119.04929	0.7
119.08581	0.9
121.05701	0.9
121.06522	11.5
121.10145	1.9
122.03671	1.1
123.04424	7.2
123.08113	1.6
123.11700	1.2
124.05243	3.4
124.55478	0.8
125.09631	1.3
129.07014	0.6
131.04926	6.4
133.02859	1.4
133.10133	2.4
134.03632	2.3
135.04420	1.0
135.11713	0.8
137.05994	10.1
137.09616	2.1
139.11182	1.3
140.04659	3.5
145.02898	1.5
147.04373	1.0
148.05241	0.9
149.05974	14.2
149.13319	1.2
151.03886	1.6
151.11200	0.7
152.04738	1.2
152.06192	1.2
155.07019	1.6
159.04425	4.1
163.03979	0.8
165.05618	0.7
165.07011	0.8
166.06380	0.7
166.07790	0.8
167.07053	100.0
168.07397	1.9
169.04994	1.0
169.06471	0.7
169.12250	0.7
173.13283	1.4
176.04785	1.0
177.05484	26.7
177.07063	1.5
178.05963	0.8
178.75299	0.6
181.04941	1.2
181.08575	1.2
183.13803	2.2
191.07083	1.7
191.14386	1.7
194.05794	1.4
195.06526	0.6
195.08044	3.3
197.05948	1.6
209.08076	6.6
209.09729	0.7
209.11786	1.4
209.15263	0.9
212.08311	1.2
227.07133	1.3
227.10786	7.9
227.14398	0.7
227.16510	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03941	1.5
55.01884	6.0
57.03413	1.2
63.12809	0.8
65.03941	5.6
67.05492	2.8
67.56124	0.9
69.03435	1.2
70.26656	2.4
70.26971	1.2
73.02926	38.6
82.04201	2.9
85.02927	4.1
87.34547	0.9
91.05477	1.7
93.03407	2.1
93.07053	1.3
95.04997	6.0
97.06560	2.8
99.08105	1.2
100.11246	2.8
107.04945	1.0
110.03680	3.0
111.04433	1.9
121.06511	2.3
123.04455	7.4
125.02383	2.1
125.05984	1.4
125.09612	1.0
133.10115	1.0
137.07610	1.1
138.03131	2.5
140.04701	53.7
142.02646	1.7
149.05930	1.7
153.05487	5.2
155.07047	56.2
167.07071	6.8
169.12299	0.8
171.06519	2.5
173.08104	1.3
179.07040	2.5
181.04973	100.0
181.08511	2.9
182.05312	1.5
183.13834	1.0
209.08115	20.4
227.09171	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	227.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01883	6.0
55.05504	1.0
57.03477	0.7
62.93924	0.6
65.03949	5.9
67.05510	5.1
69.03425	1.8
69.07034	0.9
69.95236	3.1
71.04995	1.7
73.02926	41.2
76.95190	0.7
79.05484	1.2
81.07021	0.7
82.04204	3.1
85.02928	4.4
91.05481	2.6
93.03419	2.7
93.07040	3.1
95.04990	7.9
95.08632	1.7
97.06533	2.6
98.21532	0.8
99.04443	1.3
100.11250	5.3
103.05479	1.8
105.07059	1.1
105.71019	0.6
107.04960	1.3
107.08610	1.4
108.02084	0.8
109.06518	0.8
110.03667	4.2
110.97607	0.7
111.04427	1.3
121.06535	3.3
121.10173	1.7
123.04438	9.1
123.08116	0.9
125.02345	3.1
125.06002	2.3
133.10162	1.6
137.06001	1.2
138.03110	1.5
140.04703	52.9
141.63086	0.8
142.02620	3.1
149.05977	1.7
153.05457	4.6
155.07051	63.0
165.05547	0.6
167.07077	8.7
171.06514	3.1
173.02089	0.8
173.08084	2.8
173.13246	0.9
177.05475	2.2
179.07056	3.2
181.04984	100.0
181.08310	3.9
209.08119	21.3
209.16536	0.8
227.07045	1.6
227.09178	14.6
227.16405	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	MKN-003A
Peak:m/z	Relative Intensity
50.40617	1.1
51.00757	1.2
51.32275	1.1
53.03935	3.3
55.01857	1.6
55.05516	8.9
57.03427	3.8
57.07062	1.6
59.04968	1.3
67.05507	11.5
69.03430	1.8
69.07071	6.8
71.04993	11.1
71.08624	1.5
73.80781	1.2
79.05491	7.4
81.03374	1.5
81.06609	2.2
81.07061	36.7
83.04992	10.0
83.08585	2.5
85.02906	4.6
85.06522	3.8
91.05468	4.1
93.07022	5.9
95.04980	13.8
95.08616	14.3
97.02889	3.1
97.06502	4.5
97.10194	2.0
98.21529	3.0
98.97581	1.2
99.04459	100.0
99.08104	7.1
105.03382	2.7
105.07037	2.3
107.04962	8.2
107.08598	10.3
109.06542	6.2
109.10158	11.6
111.08087	3.9
115.03925	3.7
119.04931	1.6
119.08578	5.4
121.06491	1.6
121.10122	9.6
123.04374	2.4
123.08079	12.8
123.11709	8.3
124.58313	1.5
125.06023	2.8
125.09676	1.9
127.07549	4.7
127.11218	7.8
133.02873	2.0
133.10118	1.5
135.04398	2.2
135.08055	1.6
135.11662	2.3
137.05954	4.1
137.09615	9.6
137.13266	7.2
139.07501	1.5
141.09087	8.1
145.10135	1.7
147.08000	1.7
147.11697	7.4
149.02399	2.4
149.09648	7.4
151.07503	2.4
151.11209	8.2
153.09102	3.4
160.38747	1.1
161.13257	2.9
163.03912	4.1
163.11169	4.2
165.01875	2.3
165.05511	4.0
165.12764	7.0
167.06973	2.2
169.71703	1.3
175.03979	1.9
179.14264	2.2
180.04218	13.0
181.12292	1.3
182.05759	1.9
183.06516	2.4
183.13850	3.8
189.12753	7.3
193.04953	8.4
195.06577	3.0
207.06407	2.1
207.13889	6.7
225.07541	4.6
225.14859	15.3
229.02202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Annuionone A
Peak:m/z	Relative Intensity
53.03942	1.2
55.01886	0.9
55.05509	4.3
55.51871	1.0
57.07063	1.1
67.05508	3.8
69.03443	2.2
69.07064	1.4
69.62566	1.3
69.62982	3.4
71.04998	35.0
79.05084	1.0
79.05506	4.1
81.03419	2.8
81.07065	6.7
83.04974	4.2
83.08633	6.0
85.02906	3.3
91.05485	6.5
93.07052	4.0
95.04986	2.1
95.08633	8.8
97.06528	2.4
99.04463	100.0
101.05984	0.9
105.03406	2.0
105.07037	4.9
107.04964	1.3
107.07877	2.1
107.08603	33.3
109.06518	23.3
109.10157	1.7
111.08069	1.1
113.09647	5.5
119.04955	3.5
119.08611	3.3
121.06518	1.5
121.10160	10.3
123.08070	15.3
123.11720	12.4
125.06017	4.0
125.09631	7.8
131.08601	1.7
133.10158	1.0
135.11684	1.4
137.09633	2.3
137.13269	1.1
139.11208	2.4
141.12761	1.5
145.10167	1.3
147.04430	2.6
147.11707	7.2
149.09634	11.5
151.07547	3.8
161.13371	1.2
163.11194	8.1
165.09212	1.2
165.12767	8.7
167.10686	23.3
175.03920	3.7
180.04185	0.9
182.07246	1.6
182.57242	0.8
183.12140	1.9
183.13814	28.1
189.12762	3.1
192.04201	1.1
197.09517	1.1
207.06491	5.0
207.11996	1.5
207.13673	4.7
225.09148	2.6
225.12814	1.9
225.14879	10.9
225.16603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03951	3.1
55.01873	5.0
55.05517	13.2
55.17516	2.3
57.03399	3.0
57.07069	3.2
59.04993	2.6
61.09022	2.2
67.05510	17.7
68.08521	2.4
69.03432	56.8
69.06723	2.8
69.07062	16.6
69.92877	9.6
71.04996	42.9
73.68745	2.1
79.05504	20.0
81.03412	9.5
81.07063	31.9
83.05006	11.9
83.08621	10.8
84.35104	2.1
85.02899	6.4
87.04496	2.8
91.05478	16.0
91.34195	2.2
93.07059	17.2
95.04977	8.4
95.08617	24.0
97.02915	6.0
97.06554	12.7
98.20900	3.6
99.04459	100.0
99.08100	3.5
105.03375	3.4
105.07041	40.7
107.04940	7.6
107.08601	45.3
109.06530	36.7
109.10146	9.2
111.08067	7.3
113.09634	4.6
117.07021	2.9
119.04971	4.0
119.08581	25.9
121.06512	5.9
121.10149	30.6
123.04454	8.8
123.08073	28.3
123.11712	18.1
125.09632	10.7
127.07488	2.8
131.08597	7.0
133.06465	9.4
133.10147	35.1
135.08105	2.9
135.11690	5.4
137.05966	9.8
137.09613	23.9
137.13251	4.0
139.11177	16.1
140.41232	2.2
143.08575	3.2
145.10065	5.4
147.04434	3.4
147.08098	7.1
147.11707	28.1
149.09607	17.5
151.07541	7.3
151.11145	4.6
155.08453	3.1
156.09398	6.5
159.08069	3.7
159.11673	3.9
161.09529	2.6
161.13225	11.9
163.11176	6.8
163.68248	2.5
165.12787	14.7
167.07129	5.3
167.10683	20.4
169.10167	4.4
171.11710	6.5
174.10320	4.0
175.03955	4.4
177.12775	2.6
179.07111	2.7
179.14243	3.1
180.04202	4.8
181.08650	3.7
183.13814	29.7
189.12772	20.2
192.09326	2.4
193.04968	4.0
207.06477	4.5
207.13782	25.5
220.14819	2.6
225.07515	3.0
225.12827	5.0
225.14740	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	225.1486
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
55.05515	8.1
57.07070	1.1
58.92933	0.5
59.04980	0.7
62.78460	0.5
67.05515	5.6
69.42697	0.6
71.04971	0.8
71.19243	1.1
79.05479	1.0
81.07066	4.9
83.04939	0.7
85.02913	14.7
91.05476	2.4
93.07032	1.1
95.04884	0.5
95.08617	10.2
105.07033	1.2
107.08575	1.8
109.06506	1.1
109.10158	6.1
113.06030	0.6
117.07041	0.6
118.65652	0.5
119.04991	0.9
119.08617	4.2
121.10117	1.5
122.07304	2.8
123.08078	4.4
123.11716	8.4
125.05976	1.2
125.09584	0.7
135.08054	4.0
135.11719	1.0
137.05954	0.7
137.09627	16.2
138.06703	0.6
147.11777	1.1
149.09639	2.2
151.07558	8.2
152.08334	1.8
153.09116	11.7
161.13260	0.8
165.09126	100.0
175.03934	1.0
179.14351	0.8
189.12737	2.0
192.11450	0.9
207.06511	1.0
207.13823	14.9
225.14908	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	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01890	1.3
55.05515	6.0
59.04995	1.4
67.05505	2.3
67.62313	1.4
69.07079	2.2
69.40366	7.4
71.05001	44.1
79.05481	5.3
81.03432	3.0
81.07064	6.5
83.04972	2.1
83.08623	6.3
85.02902	4.2
91.05494	7.5
93.07034	3.3
94.29642	1.3
95.04955	2.5
95.08604	6.6
97.06535	2.0
99.04461	100.0
105.03401	2.7
105.07036	5.5
105.17224	1.2
107.04952	1.5
107.08607	29.9
109.06534	20.4
109.10169	2.0
111.04496	1.1
113.09657	5.6
119.04995	2.5
119.08569	3.8
121.10168	11.8
123.08085	16.9
123.11716	14.1
125.05986	2.4
125.09644	8.2
131.08623	1.5
137.05984	2.7
139.11182	2.6
141.12741	1.6
147.04419	1.7
147.11720	6.6
149.09622	9.6
151.07520	2.0
152.73055	1.2
154.07858	1.2
161.13232	1.2
165.05630	1.4
165.07014	3.5
165.12756	9.7
167.07079	1.8
167.10686	24.3
169.06393	1.4
175.03938	1.8
179.03366	2.2
179.07108	1.7
179.08522	1.3
182.07288	1.2
183.13824	29.4
189.12787	3.9
197.06062	1.9
207.06570	4.0
207.13840	4.3
210.06767	3.3
213.12227	1.0
222.63159	1.0
225.09151	12.6
225.12769	1.5
225.14778	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03944	1.2
55.01878	1.5
55.05495	3.8
56.76046	0.8
57.03428	1.0
59.05003	1.7
65.03948	0.9
67.05511	7.8
69.03444	5.2
69.07063	3.0
69.61414	2.1
69.61830	3.7
71.05003	15.7
78.92358	0.9
79.05499	8.8
81.07067	8.8
82.51652	0.9
83.04982	3.1
91.05486	11.8
93.07049	20.5
95.04959	3.6
95.08607	5.1
97.06527	2.0
98.20841	1.4
99.04455	4.1
105.03374	2.2
105.07040	18.2
107.04955	1.7
107.08610	9.5
109.06537	5.4
109.10167	16.8
110.03525	0.9
111.08080	3.3
117.06977	1.0
119.04970	6.2
119.08601	13.3
121.06489	2.9
121.10156	40.0
123.04431	1.6
123.08102	6.4
123.11710	2.9
125.06024	2.3
125.09606	1.3
131.08574	4.7
133.06480	1.7
133.10130	6.4
135.08038	3.3
135.11691	3.4
137.05968	1.4
137.09637	27.7
145.10121	3.7
147.04384	2.5
147.08090	5.1
147.11684	10.0
147.47507	1.0
149.09634	100.0
150.10008	1.5
151.07571	3.0
151.11224	3.0
156.09352	3.0
157.96115	0.9
159.08083	1.6
159.11667	1.3
161.09631	2.5
161.13281	10.9
163.11160	2.7
164.04622	1.6
165.05420	1.1
165.09126	3.6
165.12845	4.4
167.06987	1.7
171.11740	6.0
174.10399	4.2
175.03888	3.0
179.14258	1.3
180.04028	1.0
181.53569	1.1
183.13803	1.1
189.12764	20.7
192.04211	2.8
207.06534	5.9
207.10165	1.1
207.13849	7.3
210.05241	3.0
225.07626	3.3
225.14803	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03976	3.6
55.05510	16.5
56.38556	3.7
57.03429	9.6
57.07065	4.9
59.04998	6.6
67.05502	14.0
69.03432	6.6
69.07077	29.7
69.91432	6.5
69.91821	9.4
72.39362	3.9
73.83036	3.6
78.30489	3.2
79.05499	16.3
81.07059	34.6
83.04990	10.1
83.08625	8.1
84.49186	3.7
85.06553	6.6
91.05497	18.5
93.07058	44.0
95.04979	4.5
95.08599	45.6
97.06508	6.7
97.10145	4.2
99.08102	8.9
105.07042	75.1
107.08596	90.1
109.06535	9.0
109.10165	33.2
111.08086	8.3
117.07007	10.9
119.08596	51.5
121.06525	10.9
121.10154	93.8
123.08080	13.1
123.11739	20.0
130.07864	3.9
131.08575	29.5
132.37279	4.0
133.10121	27.0
135.08017	17.4
135.11713	22.1
137.13271	9.0
138.84129	3.3
143.08565	4.9
144.09282	4.2
145.10136	90.6
147.11684	51.5
149.02388	7.4
149.09616	24.1
149.13269	45.3
151.11185	6.6
157.10149	6.3
158.10893	4.9
159.11687	22.2
161.13275	27.0
163.11229	15.8
163.14833	100.0
165.12930	6.4
172.12505	7.5
175.14810	7.4
177.16446	28.8
187.14832	92.8
205.15880	87.7
223.16919	66.6
225.19836	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	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03958	4.6
55.05515	16.3
57.03427	7.1
57.07079	7.5
59.05014	4.2
65.58505	4.5
66.10183	4.5
67.05513	23.8
69.03426	6.6
69.07074	39.4
71.09158	10.4
79.05509	20.6
81.03422	4.8
81.07069	44.7
83.04975	6.3
83.08594	18.7
85.06561	8.7
87.04462	6.3
91.05486	27.1
93.07049	44.6
95.04993	6.4
95.08609	58.6
95.09177	5.6
97.06562	8.2
97.10185	5.4
99.08099	8.4
105.07038	60.3
107.04917	6.0
107.08607	93.4
109.06525	15.6
109.10156	34.5
111.08112	6.8
117.07021	10.1
119.08587	54.1
119.69787	4.0
121.06529	14.1
121.10155	82.2
123.08081	14.5
123.11730	16.7
130.07787	7.5
131.08603	21.4
133.10109	22.5
135.04411	5.4
135.08043	14.0
135.11655	24.7
137.09677	5.6
137.13283	10.4
143.08629	5.7
144.09352	5.2
145.10135	95.2
147.11714	57.6
148.24992	4.7
149.02374	5.7
149.09572	23.0
149.13274	46.3
151.11208	4.2
157.10126	4.6
158.10910	5.0
159.11708	16.7
161.13251	24.8
163.03920	8.7
163.11201	15.6
163.14830	100.0
165.12741	8.1
175.14857	6.0
177.12784	4.0
177.16423	36.0
187.14841	70.3
205.15906	85.8
223.06027	5.5
223.09531	4.0
223.13278	10.7
223.14970	9.9
223.16893	63.1
223.20538	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	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
55.05505	14.5
57.03439	8.0
57.07063	10.4
59.04995	7.4
65.03938	4.8
65.71811	4.5
67.05499	17.3
69.03419	8.9
69.07075	36.5
79.05486	19.1
81.03392	4.3
81.07064	39.8
81.72187	5.3
83.04990	6.9
83.08617	15.6
87.04475	8.3
89.99306	4.6
91.05487	21.2
93.07051	43.0
95.08607	43.1
97.06519	7.7
98.77431	4.1
99.08115	7.0
105.07031	67.2
107.08604	90.6
107.25669	4.5
109.06518	10.1
109.10157	32.1
110.73140	4.3
111.08092	7.4
117.07007	8.2
119.08579	47.2
121.06495	12.5
121.10147	72.0
123.08080	16.6
123.11720	26.4
125.09609	5.9
126.55159	4.1
130.07823	6.0
131.08597	32.4
131.44926	4.6
133.10123	27.9
135.08064	16.4
135.11702	22.3
137.13245	11.4
143.08562	5.8
145.10127	73.0
147.11682	58.6
149.02393	32.2
149.09631	20.7
149.13254	42.4
151.11163	6.4
158.10892	7.2
159.11723	14.9
161.13287	27.5
163.11182	20.5
163.14836	100.0
165.06915	4.7
165.12776	5.8
175.14886	6.8
177.12793	7.0
177.16411	23.0
181.10127	5.8
187.14828	73.2
193.10199	5.9
205.15881	86.3
208.12347	8.5
214.59595	5.6
223.11308	5.4
223.13091	9.0
223.14803	17.4
223.16844	74.5
225.04306	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	223.1694
Annotation	Rishitin
Peak:m/z	Relative Intensity
52.39322	2.1
53.03941	5.0
54.72384	2.4
55.05520	16.7
57.03427	8.5
57.07070	9.6
59.04984	4.6
67.05498	10.7
68.77208	2.4
69.03429	6.2
69.07078	32.7
69.59455	17.0
71.04999	5.0
79.05520	16.6
81.07066	34.2
83.04971	5.3
83.08633	12.3
85.06557	4.3
85.55581	2.4
86.90916	1.9
87.04480	6.9
90.12501	2.0
91.05481	21.8
92.99898	2.6
93.07045	36.7
95.04971	5.0
95.08614	44.3
97.06531	2.5
97.10161	3.3
99.08093	9.1
105.07037	60.1
107.08598	83.2
109.06506	11.1
109.10169	22.7
111.08086	7.6
117.07028	9.9
119.08588	44.9
121.06525	13.3
121.10152	79.0
123.08097	16.1
123.11697	19.6
130.07814	4.4
131.08566	23.7
133.10133	26.8
135.08064	14.8
135.11687	23.4
137.09676	5.2
137.13258	7.2
143.08572	4.4
144.09270	3.1
145.10133	76.3
147.11697	42.1
149.02356	7.1
149.09615	15.8
149.13261	39.0
151.11203	4.3
157.10118	4.3
159.11746	12.5
161.13271	27.4
163.11256	15.7
163.14833	100.0
165.12790	6.1
175.14856	6.0
177.16408	24.2
187.14845	58.7
193.10165	3.3
205.15887	78.8
212.54863	2.4
223.14827	8.3
223.16890	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03940	3.2
55.05518	16.1
57.03443	11.2
57.07069	7.6
59.04995	5.2
62.32817	2.1
67.05495	10.9
69.03429	5.1
69.07076	26.8
70.67447	6.6
71.04966	3.6
79.05511	16.2
81.07063	38.1
83.04974	4.6
83.08629	11.7
85.06544	5.1
87.04465	9.1
91.05469	19.4
93.06495	3.9
93.07049	37.3
95.04965	4.2
95.08611	50.7
97.06515	4.3
99.08086	6.2
105.07039	53.4
107.07890	5.0
107.08601	80.6
109.06519	9.6
109.10162	31.4
111.08070	4.7
112.85057	2.8
117.07034	10.6
119.07824	3.7
119.08596	48.4
121.06553	14.4
121.10149	88.7
123.08060	19.5
123.11712	21.7
125.09646	2.8
129.06992	3.3
130.07762	5.9
131.08586	27.4
133.10117	24.7
135.08060	15.2
135.11696	18.3
137.09602	2.8
137.13245	13.9
143.08543	5.9
145.10126	91.8
147.11703	53.1
149.09642	20.6
149.13269	50.7
151.11192	5.7
157.10100	6.7
158.10921	4.0
159.11685	12.7
161.13274	30.6
163.11214	16.9
163.14833	100.0
165.12758	5.9
172.12480	4.6
175.14780	4.5
177.16406	27.7
187.14825	70.8
205.15891	82.3
213.71400	2.1
223.11374	2.9
223.14888	4.8
223.16925	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Rishitin
Peak:m/z	Relative Intensity
51.43488	3.6
54.64982	4.0
55.05500	9.1
57.03421	9.6
57.07056	8.4
59.04979	4.0
67.05473	8.9
69.03429	6.9
69.07061	28.3
70.83611	10.5
79.05482	12.1
81.07055	32.7
83.04971	6.9
83.08601	7.9
85.06535	4.0
87.04458	4.2
91.05505	18.2
93.07047	29.7
95.04932	4.6
95.08607	45.1
99.08118	6.4
102.04254	3.3
102.39323	3.7
105.07032	52.9
107.08587	69.9
109.06521	10.9
109.10165	26.4
111.08089	6.0
112.59643	3.7
117.07005	10.9
119.08578	44.9
121.06494	7.8
121.10140	69.8
123.08064	19.7
123.11688	16.3
130.07669	3.6
131.08566	21.6
133.10107	24.1
135.08046	14.4
135.11757	17.4
137.13237	8.4
143.08604	6.6
143.23851	4.0
145.10124	79.1
147.11685	43.4
149.09616	14.9
149.13229	36.4
157.10065	5.7
159.11693	9.7
161.13293	21.6
163.11169	15.7
163.14828	100.0
165.12743	6.5
172.12440	8.5
175.14719	4.5
177.16386	35.4
187.14816	64.2
205.15884	79.4
208.00658	3.7
223.14998	5.0
223.16928	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
51.68728	3.9
55.05508	18.7
56.79016	4.4
57.03416	11.5
57.07064	6.7
59.05001	4.5
67.05482	16.1
69.07065	31.8
69.84803	21.6
71.04971	4.4
71.31718	3.9
79.05496	21.7
81.06616	4.3
81.07058	50.8
83.04966	7.6
83.08611	13.7
85.06544	6.6
85.50727	5.1
87.04456	12.7
91.05486	24.1
93.07057	43.8
95.04945	4.9
95.08609	61.0
97.06503	5.3
99.08090	10.5
105.07034	71.0
107.08590	93.2
109.06513	9.7
109.10137	29.2
110.32989	4.3
111.08096	10.0
117.06987	9.8
119.08588	56.0
121.06465	16.5
121.10151	93.1
123.08069	17.5
123.11676	21.7
126.82216	4.6
130.07756	4.9
131.08571	28.4
132.27376	3.6
133.10144	29.7
135.08047	15.7
135.11719	23.9
137.13246	16.7
141.30954	3.6
143.08588	8.8
145.10126	92.5
147.11674	59.6
149.09630	19.6
149.13261	51.6
151.11163	4.3
157.39432	3.7
158.10875	7.2
159.11699	17.2
161.13271	30.5
163.11162	15.7
163.14827	100.0
175.14810	8.0
177.16382	28.9
181.10167	5.3
187.14833	66.7
193.10168	9.4
194.10959	4.7
205.15883	97.6
208.12415	12.1
208.15704	4.5
223.14828	19.2
223.16922	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
55.05523	18.2
57.03429	9.5
57.07071	6.5
58.62787	3.1
59.04987	4.0
67.05518	20.9
69.03413	7.7
69.07070	33.5
69.40887	6.7
69.41305	16.5
71.05001	3.5
71.08611	3.2
74.48436	2.9
79.05500	24.3
81.03410	5.2
81.07054	46.9
83.04995	7.6
83.08619	11.7
85.06529	7.3
87.04455	6.1
91.05466	20.4
93.07046	40.6
95.04948	11.7
95.08615	50.2
97.06522	9.4
99.08076	9.4
103.05441	3.3
105.06322	3.6
105.07043	73.4
107.07881	5.9
107.08599	92.5
109.06512	10.5
109.10154	33.3
111.08078	8.9
115.05475	3.2
117.06999	11.8
119.07831	4.2
119.08593	49.1
121.06516	19.6
121.10155	87.8
121.11039	4.3
123.08058	16.9
123.11714	17.6
130.07799	5.1
131.04987	3.6
131.08595	24.8
133.06516	5.1
133.10139	25.2
135.08060	17.6
135.11732	18.1
137.13196	6.5
143.08545	6.1
145.10136	90.6
147.11697	41.7
149.02347	13.9
149.09604	19.1
149.13258	39.3
151.11218	3.5
157.10188	3.2
158.10934	4.4
159.11716	19.3
160.10472	3.0
161.13290	22.2
163.07591	3.7
163.11195	21.5
163.14832	88.0
165.06978	3.3
165.12738	6.9
167.08588	3.5
167.10730	4.0
170.94142	3.0
172.12442	5.4
175.14836	7.3
177.16403	28.0
187.14828	65.4
193.10155	3.8
205.12425	4.4
205.15895	100.0
208.12476	5.7
223.07736	5.5
223.13185	15.6
223.15031	5.6
223.16891	57.0
225.04321	6.2
234.02296	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	223.1694
Annotation	Rishitin
Peak:m/z	Relative Intensity
55.05510	10.9
57.03432	10.3
57.07075	8.3
59.05000	6.4
67.05514	13.0
69.03429	4.8
69.07075	31.9
75.65534	2.5
79.05508	12.0
81.07063	20.4
83.04983	10.0
83.08633	9.1
91.05473	16.8
93.07047	39.6
95.04989	11.2
95.08608	38.5
97.06521	6.8
99.08092	3.3
105.07034	33.5
107.07889	4.7
107.08604	70.6
109.06538	5.5
109.10156	20.1
111.08132	3.6
117.07034	11.6
119.08568	23.2
121.06561	13.6
121.10151	62.1
122.83385	2.5
123.08090	13.6
123.11714	12.3
124.71026	2.6
130.07820	5.0
131.08600	14.1
133.10133	18.2
134.41257	2.3
135.08040	12.2
135.11700	14.3
137.09673	4.8
142.66171	2.5
143.08658	2.8
145.10133	35.5
147.11705	29.8
149.02362	25.2
149.09631	14.8
149.13269	34.7
151.11208	2.6
159.11726	7.0
161.13274	9.2
163.11211	11.6
163.14833	100.0
165.12790	2.6
173.13249	3.3
177.12778	2.3
177.16394	21.2
179.08588	2.9
180.09433	3.4
187.14818	25.6
193.10248	4.0
205.15886	48.2
208.12679	4.1
223.11334	4.7
223.14870	12.9
223.16969	33.5
223.20499	4.0
225.04398	4.7
228.09503	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03937	6.0
55.01870	4.1
55.05524	15.8
57.03440	12.4
57.07068	8.5
59.04991	4.0
65.03936	2.7
67.05512	18.9
69.03414	6.7
69.07069	32.0
71.04991	4.2
71.50159	3.1
79.05506	20.0
81.03421	3.0
81.07056	36.3
83.04970	8.7
83.08639	14.8
85.02874	2.4
85.06538	6.4
87.04462	5.7
91.05479	18.8
93.07053	45.9
95.04990	11.8
95.08614	52.4
95.96022	2.3
97.06506	6.4
99.08073	9.2
103.05446	3.9
105.03397	2.9
105.07034	64.7
107.04964	6.8
107.08601	81.4
109.06510	16.9
109.10166	33.6
111.08057	9.4
113.09612	2.6
115.05415	2.5
117.07043	11.6
119.08585	43.4
121.06499	16.9
121.10142	76.9
123.08075	20.2
123.11698	16.5
125.09590	3.4
129.06981	5.0
130.07802	3.2
131.04959	3.3
131.08566	25.1
132.09103	2.6
133.10144	23.7
133.66533	2.3
135.04462	2.4
135.08070	14.3
135.11700	24.0
137.05930	3.2
137.09680	3.7
137.13260	6.9
142.47621	2.5
143.08543	6.4
145.06497	3.1
145.10126	75.1
147.11697	39.0
149.02377	12.1
149.09627	16.5
149.13268	41.0
151.11198	2.5
157.10104	5.2
158.10927	4.2
159.11717	18.7
161.13251	25.0
163.03896	4.1
163.07509	2.7
163.11214	13.9
163.13440	4.8
163.14830	100.0
165.06950	3.1
165.12828	4.7
168.66455	2.4
172.12436	6.7
175.14818	6.5
177.12679	6.3
177.16406	24.2
181.08603	4.7
181.10088	4.0
187.14825	65.3
193.10208	5.4
195.11690	3.1
195.48099	2.5
205.12413	3.7
205.15895	76.0
208.12459	3.9
223.07648	3.6
223.09499	3.1
223.13187	9.9
223.14857	10.5
223.16922	51.5
225.04259	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	223.1329
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.03946	3.1
55.01858	4.1
55.05518	7.1
57.03421	1.5
57.07061	1.9
59.04991	2.2
62.99739	1.2
64.31956	1.3
65.03937	2.9
67.05517	11.2
69.03435	21.5
69.07059	4.0
69.18626	12.4
71.05007	1.6
79.05495	10.4
81.03410	1.9
81.07064	17.4
83.04995	10.9
83.08626	2.8
85.02899	5.9
87.03947	1.5
87.04478	27.8
91.04990	2.2
91.05486	25.8
93.06493	1.9
93.07053	25.6
95.04976	11.8
95.08601	7.4
97.06537	3.7
99.04454	1.8
101.02374	3.5
103.05467	3.9
105.07032	14.4
107.01338	1.8
107.04939	5.9
107.08615	14.3
109.02835	1.7
109.06527	58.4
109.07274	3.2
109.10152	9.3
110.07346	1.8
111.04440	2.4
111.08068	3.9
114.95554	1.2
115.05477	1.9
117.07001	8.1
119.06066	6.4
119.08587	13.7
121.02856	2.0
121.06519	52.3
121.07392	2.8
121.10134	13.1
122.07291	10.4
123.08089	6.2
125.05976	3.5
129.06967	1.9
131.04895	2.0
131.08597	3.7
133.06525	1.5
133.10150	4.1
135.08070	8.7
135.11699	4.2
137.05957	5.7
137.09628	100.0
138.09999	1.9
139.03899	3.5
139.07510	4.3
139.11220	1.6
144.09261	1.4
145.06509	4.7
145.10124	7.7
147.04414	2.4
147.08043	4.5
147.11720	1.6
149.02336	5.5
149.05986	9.0
149.09615	12.3
151.07480	1.9
153.05415	2.1
159.08040	2.6
159.11687	8.5
161.05977	2.0
161.09624	3.2
162.06781	2.6
163.03931	4.3
163.07579	8.4
163.11192	12.8
165.09094	3.0
165.12712	1.5
167.06984	1.8
167.08496	2.2
175.11180	2.2
177.05464	3.7
177.09195	1.6
177.12790	11.4
179.10582	1.4
181.08609	6.7
181.12221	2.9
187.11235	3.7
190.06160	2.0
191.07040	3.6
195.06531	6.4
195.08118	2.5
205.04968	1.5
205.12239	10.9
208.07298	2.7
223.05978	2.9
223.07736	3.1
223.09625	13.9
223.11371	1.6
223.13229	20.7
223.16887	2.7
225.04269	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
55.01860	3.3
55.05521	7.7
57.03416	2.2
63.05391	1.6
65.03936	3.4
67.05508	12.4
69.03431	18.1
69.07056	4.0
69.89003	8.8
71.05000	11.8
79.05502	13.6
81.07059	10.5
81.57266	1.5
83.01351	13.0
83.04992	9.0
90.97040	1.7
91.05486	20.8
93.07053	19.6
95.04974	10.3
95.08607	7.2
95.31923	1.9
97.06524	2.9
105.07037	24.4
107.04948	4.6
107.08603	24.5
109.06538	7.3
109.10157	5.0
111.04433	3.7
111.84927	1.6
115.05458	2.3
117.07038	11.2
119.08593	31.0
120.09399	1.9
121.06512	16.2
121.10146	22.7
122.07299	22.8
123.08083	13.0
125.05987	11.5
128.06212	2.3
129.07008	11.6
130.07770	4.5
131.08551	11.4
133.10182	9.3
135.08067	50.1
135.11696	32.0
136.08844	20.4
137.06000	5.2
137.09622	21.9
137.13264	2.2
143.08586	3.1
144.09331	18.9
145.10144	15.6
147.08081	6.0
147.09123	1.9
148.08942	1.7
149.02307	2.7
149.06009	6.0
149.09628	88.1
149.13272	9.5
150.06783	30.9
151.07562	10.5
151.11179	4.2
153.09131	6.2
157.10135	3.1
159.08144	2.1
159.11691	48.7
161.05919	2.9
161.09604	7.5
161.13310	2.1
162.10429	4.8
163.07533	9.5
163.11188	69.8
165.09137	30.1
172.08858	8.6
175.07547	29.1
176.08342	5.7
177.05498	3.5
177.09317	2.9
177.12750	98.4
179.10645	5.4
181.12227	1.7
187.11191	22.2
189.09200	2.5
190.09901	23.2
195.08008	2.1
203.10670	15.3
205.12250	100.0
206.12668	2.3
223.13287	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05507	12.1
57.07058	4.0
59.45579	1.8
65.03963	2.3
67.05499	10.7
69.07054	10.0
70.69345	2.0
70.69684	5.1
71.04994	17.6
79.05488	12.7
81.06599	3.6
81.07061	63.3
83.05016	2.4
83.08617	6.1
91.05485	11.3
93.07049	33.4
95.04932	2.4
95.08610	37.9
97.06500	3.1
99.08089	3.3
105.07038	21.4
107.08592	61.8
109.09467	3.3
109.10144	24.4
111.08126	3.2
111.11688	3.0
119.08582	31.4
121.10149	12.2
123.11700	20.6
125.09666	2.5
127.11186	5.4
133.10139	27.4
135.11696	100.0
137.09616	4.0
137.13281	2.5
145.10162	2.3
147.11676	23.2
149.13275	7.2
151.11172	4.8
154.83418	1.9
161.05959	2.0
161.13234	15.4
163.14830	6.7
175.14894	3.2
177.09113	4.4
177.16402	4.2
193.19472	2.6
203.17976	40.3
211.07861	2.2
221.15681	2.5
221.19019	64.0
222.19418	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05507	9.3
57.07084	3.3
59.05015	1.8
67.05499	7.6
69.07082	11.0
69.39606	13.4
71.05006	15.9
78.55628	1.9
79.05491	13.7
79.72011	1.6
81.07060	50.1
83.08603	5.9
85.06558	2.3
91.05481	11.0
93.07053	32.2
95.08615	20.5
95.78626	1.7
96.67593	2.0
96.75152	1.7
97.06494	2.7
97.10167	5.4
97.64945	1.9
99.08069	4.1
105.07034	19.6
107.08600	63.1
107.09315	4.1
109.10152	22.0
111.08079	3.1
117.06968	2.5
119.04948	2.4
119.08588	36.2
121.10163	7.4
123.11733	15.1
127.11214	4.8
133.06494	2.6
133.10136	26.2
135.11699	100.0
137.09573	4.7
137.13277	3.1
139.86632	1.7
145.10095	4.3
147.04384	4.6
147.11717	17.9
149.13268	7.4
151.11214	3.3
161.05952	3.4
161.13237	14.4
163.14832	6.6
165.12724	2.6
175.03830	2.2
175.07561	3.3
177.09119	13.2
177.16423	3.4
191.07164	2.4
203.10831	2.2
203.17978	35.5
221.04684	2.4
221.15381	5.1
221.17418	3.2
221.19031	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01892	2.1
55.05498	6.7
56.30350	1.6
57.07064	2.9
61.78449	1.8
67.05523	8.4
69.07085	9.5
70.77984	4.0
70.78316	2.0
71.05000	15.7
73.14883	1.5
79.05499	13.4
81.07059	40.4
83.08604	3.4
85.75217	1.9
91.05482	9.3
91.16264	1.7
93.07050	33.7
95.04957	2.7
95.08614	22.0
97.10154	2.1
99.08058	4.0
105.07032	20.9
107.07891	3.1
107.08598	53.2
109.06559	3.5
109.10154	15.3
111.08053	2.2
119.08586	31.7
121.10137	8.9
123.08121	2.0
123.11706	15.5
125.09666	2.1
127.11186	3.2
131.08589	2.7
133.10130	25.0
135.11702	100.0
137.09630	3.2
137.13239	3.2
139.11205	1.7
147.11717	18.5
149.13237	6.6
151.11243	3.1
161.06009	2.5
161.13286	10.4
163.14813	4.0
165.12762	2.5
175.14799	4.3
177.09132	18.8
186.34470	1.5
203.17964	31.3
208.24031	1.8
221.15398	5.8
221.19005	48.6
237.58365	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03948	2.6
55.05508	14.7
57.07079	4.8
58.17727	1.8
65.03918	2.3
67.05499	8.7
69.07072	11.2
70.80962	6.1
71.04993	23.0
79.05494	15.2
81.06595	3.3
81.07059	48.9
82.07397	1.9
83.04984	2.6
83.08617	5.9
87.08093	2.2
88.87669	2.0
91.05471	11.8
93.07046	39.9
95.08611	28.3
97.06528	1.9
97.10173	3.0
98.20918	2.4
98.50503	2.3
99.08091	4.6
105.07040	20.9
107.08595	68.9
109.10172	21.5
111.08108	2.8
111.11743	4.3
117.07091	2.1
119.08591	39.7
121.10156	7.2
123.08102	3.0
123.11720	17.7
125.09631	3.5
127.11227	5.1
133.10138	25.0
135.11693	100.0
137.09627	5.5
137.13271	5.1
145.10114	2.4
147.11708	22.6
149.13307	11.2
151.11214	6.2
152.39189	2.0
161.13295	9.3
163.14848	4.2
165.12817	3.5
175.14827	6.1
177.09132	7.5
177.16420	5.3
203.17961	34.6
210.04616	2.4
221.08199	2.7
221.15524	4.1
221.19020	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	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.64863	2.1
53.03949	3.8
55.05510	16.1
57.03431	4.1
57.07067	3.9
65.03934	3.8
67.05506	15.0
69.03424	4.6
69.07076	20.9
70.36499	4.6
70.36885	4.5
71.05000	5.0
77.03937	2.4
79.05495	22.9
81.07066	43.1
83.04951	2.6
83.08607	7.6
91.05475	31.4
91.48722	2.7
93.07044	47.6
93.63268	1.9
95.04977	34.7
95.08070	3.4
95.08618	37.0
97.06503	5.0
97.10175	3.0
98.20887	2.1
103.05470	3.5
105.07033	100.0
107.08595	60.0
109.06519	9.2
109.10166	11.9
111.08076	6.1
113.05982	2.5
115.05427	2.6
117.07063	11.8
117.07773	2.2
119.04977	2.0
119.08583	82.9
121.06527	24.3
121.10155	37.4
123.08070	7.8
123.11708	6.2
129.07014	11.5
130.07751	3.4
131.08569	99.5
133.06476	7.3
133.10138	49.0
135.08049	5.8
135.11716	10.1
137.09598	4.9
142.07777	5.0
143.08565	21.5
144.09319	8.0
145.10120	32.7
147.08008	9.6
147.11713	23.6
149.09604	5.5
149.13235	6.8
153.09143	3.4
156.09293	3.8
157.10112	12.6
158.10887	8.7
159.11708	17.0
161.09665	14.6
161.12018	3.0
161.13283	27.9
163.11172	6.4
163.14821	24.8
165.09114	4.8
165.12726	3.2
170.10924	8.6
173.13271	96.8
175.11194	6.8
175.14821	56.0
177.09157	7.4
177.12666	3.6
185.13283	25.7
191.08554	3.4
191.14314	45.2
193.15894	5.7
203.14322	64.2
203.17961	7.1
206.10846	6.6
206.16254	6.5
221.13284	6.4
221.15355	67.3
221.18790	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	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03946	3.6
55.01877	2.1
55.05517	13.1
57.03433	3.5
57.07076	8.5
59.04996	2.0
65.03942	2.8
67.05507	19.2
68.60326	2.1
69.03426	3.5
69.07075	25.1
71.04993	4.2
71.06781	3.1
75.75630	1.7
79.05494	16.7
81.07053	33.2
83.04961	2.2
83.08610	9.1
84.99079	2.1
86.34586	1.8
91.05473	25.5
93.06485	3.7
93.07047	43.7
95.04984	18.5
95.08613	43.7
97.06528	4.9
97.10200	2.2
99.08093	6.3
103.05428	2.6
105.03338	1.9
105.07039	100.0
107.08603	50.2
109.06530	8.5
109.10157	28.7
111.04446	2.9
111.08074	4.3
116.06234	2.1
117.07022	8.0
119.08591	70.3
121.06503	8.6
121.10155	28.1
123.08081	5.1
123.11702	8.7
125.05971	2.1
125.09637	4.5
128.06244	3.8
128.77832	1.7
129.07033	4.4
131.08569	71.8
133.06487	5.9
133.09129	4.0
133.10132	84.3
135.08063	4.0
135.11717	12.8
137.09590	4.5
137.13255	2.2
139.07468	2.1
142.07777	4.2
143.08569	16.0
144.09375	4.4
145.10110	22.1
147.08055	6.6
147.11697	29.5
149.09624	3.9
149.13274	41.5
151.11206	4.5
153.09113	2.4
155.08559	3.9
156.09438	3.7
157.10123	13.0
158.10985	9.8
159.11687	9.9
161.06049	5.1
161.09639	7.2
161.13269	21.9
163.11201	2.2
163.14841	19.6
165.09151	3.4
170.10931	4.5
173.13278	87.3
175.11235	3.4
175.14839	58.0
175.16325	3.9
177.12833	2.8
177.16408	8.1
185.13264	15.1
189.05510	2.2
191.08679	1.9
191.14294	15.9
192.09270	2.0
193.15999	2.4
203.14316	40.5
203.17970	30.2
206.10966	5.3
206.16240	6.2
221.07938	3.0
221.13274	10.0
221.15369	42.1
221.19022	34.5
241.02701	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16831	0.1
55.01867	0.7
55.05516	1.1
57.03426	0.3
57.07060	0.4
65.03941	0.6
66.92522	0.2
67.05509	2.0
69.03430	0.9
69.07077	1.3
70.40955	0.2
71.04982	0.6
71.22755	0.4
77.03942	0.2
79.05499	2.5
81.03407	0.4
81.06613	0.2
81.07066	3.1
83.04992	0.8
83.08617	0.6
85.06532	0.3
89.03968	0.2
91.05486	7.0
93.03387	0.2
93.07054	2.7
93.77974	0.2
95.04998	0.8
95.05494	0.2
95.08614	2.6
97.02870	0.5
97.06516	0.5
97.10169	0.2
99.08138	0.2
103.05472	1.3
103.07284	0.2
104.06244	0.2
105.03410	0.2
105.07036	4.9
107.04963	0.6
107.08593	2.8
109.06546	1.0
109.10164	2.2
111.08069	0.8
111.11700	0.2
115.05460	2.5
116.06226	0.7
117.07029	5.2
118.04151	0.2
118.06566	0.3
119.04955	5.0
119.06850	0.4
119.08591	4.8
121.06498	0.9
121.10158	1.5
123.08062	0.9
123.11680	0.9
123.21194	0.2
125.09711	0.3
128.06258	1.2
129.03403	0.3
129.07005	0.4
131.04935	2.8
131.08565	0.7
132.05722	0.4
132.08076	0.2
133.06506	4.2
133.10133	3.0
134.07277	0.8
135.08081	1.3
135.11699	2.6
137.06000	0.8
137.09601	1.1
137.13243	0.3
139.03839	0.3
139.11131	0.2
143.04939	0.4
143.08563	1.4
144.05708	0.7
145.06500	1.0
145.10126	0.7
146.03632	0.7
146.07300	0.4
147.04422	12.0
147.08061	3.3
147.11710	1.7
149.02371	0.7
149.06001	0.5
149.09621	0.5
149.13274	0.4
150.58109	0.2
151.02457	0.2
151.03891	0.9
151.07539	0.3
151.11182	1.3
153.01834	1.8
153.05386	0.2
153.09123	0.2
155.08531	0.2
157.10106	0.3
159.04446	0.5
159.08061	0.3
159.11729	0.5
160.05174	1.0
160.08879	0.2
161.05998	4.3
161.09622	1.2
161.13268	2.3
162.06766	6.3
163.03922	0.5
163.07538	0.4
163.09500	0.2
163.11220	0.3
163.14856	0.4
165.05508	2.7
165.06940	0.4
165.09125	1.6
170.10950	0.3
171.05525	0.4
171.08083	0.7
173.13287	0.3
175.03928	6.9
175.07532	4.0
175.11243	1.0
175.14845	1.1
176.04662	0.5
176.14388	0.4
177.09116	100.0
177.14421	1.1
178.09477	1.1
179.03386	0.4
179.14301	0.2
185.13194	0.5
189.03931	0.3
189.05484	3.4
190.06287	0.3
191.07072	1.5
191.14310	0.5
192.04277	0.2
193.04977	4.9
193.06761	0.2
193.08691	1.0
193.15909	0.8
201.06644	0.5
203.03406	2.6
203.06987	1.2
203.10745	0.7
203.14304	1.1
203.17995	1.5
206.05705	0.5
206.10834	0.2
206.16206	0.5
221.04468	7.4
221.07909	2.8
221.11667	1.1
221.15355	4.3
221.17355	5.3
221.19046	1.5
222.18745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Flossonol
Peak:m/z	Relative Intensity
55.01867	0.5
55.05497	1.1
57.03406	0.4
57.07073	0.7
67.05511	1.3
69.03428	0.8
69.07072	0.8
69.42507	0.8
69.42912	2.2
71.04987	0.7
79.05495	1.6
81.03422	0.4
81.07060	2.2
83.08614	0.5
91.05472	4.0
91.94112	0.4
93.03405	0.5
93.07027	1.4
95.04968	1.0
95.08598	1.4
103.05470	1.7
105.07032	3.9
107.04972	0.6
107.08590	1.5
109.06520	1.2
109.10146	1.1
111.08061	0.9
115.05459	3.6
116.06265	0.5
117.07037	6.4
118.04105	0.5
119.04921	1.1
119.08613	2.9
121.06514	1.4
121.10153	0.6
123.08074	0.7
128.06230	2.3
129.07018	0.7
131.04938	1.8
131.08559	0.5
132.05717	0.9
133.06549	2.2
133.10144	2.1
134.07281	1.2
135.08047	1.8
135.11688	0.8
137.05994	1.2
137.09608	0.9
142.07776	0.5
143.04948	1.4
143.08578	2.1
144.05713	0.9
145.06503	2.3
145.10091	0.7
146.07286	1.8
147.04454	1.0
147.08092	2.4
147.11688	0.7
151.03943	4.7
151.05040	0.8
151.07581	1.3
153.05531	0.6
159.04404	0.4
159.08028	0.7
160.05237	2.2
160.08873	0.4
161.06013	4.8
161.09621	2.2
161.13275	1.3
162.05505	0.6
162.06787	7.5
163.03926	0.6
163.07558	0.8
165.07043	1.2
165.09222	0.6
171.08084	1.2
173.13385	0.4
174.06866	0.5
175.07567	19.1
175.11110	2.7
175.14825	0.9
177.09128	100.0
178.07768	1.0
178.09453	0.8
179.07088	0.5
179.10703	1.1
188.08374	0.8
189.05518	0.6
191.07054	1.6
193.10107	0.9
193.15909	0.9
203.07071	1.8
203.08827	0.7
203.10667	5.3
203.14365	0.6
206.16193	0.9
221.00919	0.9
221.04285	0.6
221.06030	1.1
221.08064	2.0
221.09744	1.7
221.11676	5.4
221.15126	1.8
221.18344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
56.64070	0.3
57.03405	0.3
57.07069	0.6
67.05500	1.0
67.46432	0.3
67.51167	0.3
69.07055	0.8
71.05002	1.5
79.05500	2.3
81.07060	4.6
91.05474	1.6
93.07057	3.3
95.04891	0.4
95.08618	2.6
105.07042	3.8
107.08611	3.4
109.10155	1.8
111.08092	0.6
115.05460	1.4
116.06193	0.6
117.07024	5.4
119.04903	0.7
119.08609	3.2
121.06538	0.5
121.10122	1.4
123.11716	1.0
125.09679	0.3
127.11221	0.3
128.06192	0.9
131.04947	0.9
131.08588	0.6
132.05768	0.3
133.06541	1.4
133.10141	2.5
134.07269	1.2
135.08060	0.9
135.10822	0.3
135.11710	5.2
143.05013	0.4
143.08562	1.2
144.05714	0.8
145.06485	0.9
145.10100	0.5
147.04439	0.9
147.08069	0.5
147.11693	2.0
149.13257	0.7
159.11678	0.5
160.05222	0.8
161.06010	2.0
161.09587	0.4
161.13300	1.5
162.05502	0.6
162.06772	6.3
163.14890	0.4
175.07581	2.6
175.14861	1.0
177.09120	100.0
178.09482	0.4
185.13234	0.5
189.05368	0.3
190.06325	0.7
190.16652	0.3
193.08641	0.7
203.10626	0.7
203.14326	1.1
203.17937	2.3
206.05798	0.6
221.04396	0.6
221.07953	1.6
221.11615	0.7
221.15570	1.5
221.19087	4.1
222.11227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51672	0.6
69.52099	0.4
79.05489	0.2
81.07037	0.2
91.05486	0.7
92.25017	0.2
98.63300	0.1
103.05451	0.2
105.07032	0.5
108.11994	0.2
115.05457	1.4
116.06247	0.7
117.07027	4.2
118.06515	0.2
119.04916	0.2
119.06866	0.3
119.08596	0.3
121.06573	0.2
128.06253	1.1
131.04962	0.2
132.05727	0.2
133.06540	0.8
134.07294	1.1
135.08073	0.8
143.08574	1.0
144.05714	0.5
145.06517	0.7
147.04437	0.2
147.08147	0.3
160.05148	0.3
161.06010	0.6
162.06778	4.8
171.08051	0.4
175.07584	2.6
175.11131	0.2
177.09120	100.0
178.09462	0.8
203.10689	0.4
214.67787	0.2
221.08144	0.2
221.11742	0.4
221.17317	4.8
226.06248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
55.05501	0.8
57.03436	0.3
57.07064	0.4
57.24903	0.2
65.03929	0.3
67.05512	1.2
69.03445	0.4
69.07076	1.3
70.06597	0.2
71.04981	0.5
71.49039	0.3
71.49414	0.3
79.05492	1.4
81.07060	3.2
83.05001	0.4
83.08620	0.6
85.90849	0.2
89.07946	0.2
91.05482	2.9
93.07053	2.0
95.04957	0.8
95.08611	1.8
97.02887	0.2
101.03848	0.2
103.05473	0.6
105.07043	3.5
107.04932	0.4
107.08575	2.2
109.06512	0.6
109.10155	1.1
111.08071	0.5
115.05460	1.9
116.06217	0.6
117.07023	5.3
119.04945	1.4
119.08588	2.9
119.71185	0.2
121.06511	0.9
121.10141	1.2
123.08054	0.4
123.11732	0.3
128.06232	1.4
129.06998	0.5
131.04916	0.7
131.08580	0.9
132.05737	0.3
133.06534	2.1
133.10133	1.9
134.07301	1.4
135.08084	1.2
135.11688	1.0
137.05975	0.5
137.09650	0.5
143.08569	1.1
144.05684	0.5
145.06494	0.8
145.10132	0.5
147.04425	2.8
147.08034	0.7
147.11685	1.3
149.02385	0.6
149.06001	0.3
149.09605	0.4
149.13278	0.3
151.03917	0.6
151.07500	0.2
157.10136	0.5
159.11655	0.5
160.05174	0.8
161.05978	2.1
161.09599	0.4
161.13277	1.9
162.06773	6.0
163.07559	0.2
163.11243	0.3
165.05533	0.3
165.06906	0.5
165.09131	0.6
170.10889	0.3
171.08047	0.9
173.13284	0.8
175.03838	0.2
175.07550	4.0
175.11214	0.4
175.14870	1.6
176.04755	0.3
177.09114	100.0
178.09453	0.6
179.10640	0.2
185.13306	0.5
189.05463	0.5
190.06285	0.3
191.06979	0.8
193.04974	0.3
193.08636	1.1
193.10139	0.3
193.15915	0.6
201.06798	0.2
203.03418	0.3
203.07076	0.4
203.10629	0.7
203.14442	1.0
203.17960	0.8
206.16238	0.4
221.04378	0.5
221.08012	2.1
221.11761	1.0
221.15379	2.2
221.17339	0.6
221.19342	1.2
221.22020	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	221.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16831	0.1
55.01867	0.7
55.05516	1.1
57.03426	0.3
57.07060	0.4
65.03941	0.6
66.92522	0.2
67.05509	2.0
69.03430	0.9
69.07077	1.3
70.40955	0.2
71.04982	0.6
71.22755	0.4
77.03942	0.2
79.05499	2.5
81.03407	0.4
81.06613	0.2
81.07066	3.1
83.04992	0.8
83.08617	0.6
85.06532	0.3
89.03968	0.2
91.05486	7.0
93.03387	0.2
93.07054	2.7
93.77974	0.2
95.04998	0.8
95.05494	0.2
95.08614	2.6
97.02870	0.5
97.06516	0.5
97.10169	0.2
99.08138	0.2
103.05472	1.3
103.07284	0.2
104.06244	0.2
105.03410	0.2
105.07036	4.9
107.04963	0.6
107.08593	2.8
109.06546	1.0
109.10164	2.2
111.08069	0.8
111.11700	0.2
115.05460	2.5
116.06226	0.7
117.07029	5.2
118.04151	0.2
118.06566	0.3
119.04955	5.0
119.06850	0.4
119.08591	4.8
121.06498	0.9
121.10158	1.5
123.08062	0.9
123.11680	0.9
123.21194	0.2
125.09711	0.3
128.06258	1.2
129.03403	0.3
129.07005	0.4
131.04935	2.8
131.08565	0.7
132.05722	0.4
132.08076	0.2
133.06506	4.2
133.10133	3.0
134.07277	0.8
135.08081	1.3
135.11699	2.6
137.06000	0.8
137.09601	1.1
137.13243	0.3
139.03839	0.3
139.11131	0.2
143.04939	0.4
143.08563	1.4
144.05708	0.7
145.06500	1.0
145.10126	0.7
146.03632	0.7
146.07300	0.4
147.04422	12.0
147.08061	3.3
147.11710	1.7
149.02371	0.7
149.06001	0.5
149.09621	0.5
149.13274	0.4
150.58109	0.2
151.02457	0.2
151.03891	0.9
151.07539	0.3
151.11182	1.3
153.01834	1.8
153.05386	0.2
153.09123	0.2
155.08531	0.2
157.10106	0.3
159.04446	0.5
159.08061	0.3
159.11729	0.5
160.05174	1.0
160.08879	0.2
161.05998	4.3
161.09622	1.2
161.13268	2.3
162.06766	6.3
163.03922	0.5
163.07538	0.4
163.09500	0.2
163.11220	0.3
163.14856	0.4
165.05508	2.7
165.06940	0.4
165.09125	1.6
170.10950	0.3
171.05525	0.4
171.08083	0.7
173.13287	0.3
175.03928	6.9
175.07532	4.0
175.11243	1.0
175.14845	1.1
176.04662	0.5
176.14388	0.4
177.09116	100.0
177.14421	1.1
178.09477	1.1
179.03386	0.4
179.14301	0.2
185.13194	0.5
189.03931	0.3
189.05484	3.4
190.06287	0.3
191.07072	1.5
191.14310	0.5
192.04277	0.2
193.04977	4.9
193.06761	0.2
193.08691	1.0
193.15909	0.8
201.06644	0.5
203.03406	2.6
203.06987	1.2
203.10745	0.7
203.14304	1.1
203.17995	1.5
206.05705	0.5
206.10834	0.2
206.16206	0.5
221.04468	7.4
221.07909	2.8
221.11667	1.1
221.15355	4.3
221.17355	5.3
221.19046	1.5
222.18745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.86048	0.6
55.01868	1.1
55.14830	0.7
56.96569	5.3
57.03434	1.7
61.02922	0.9
67.05492	1.0
68.56501	0.6
69.03422	2.1
70.02140	2.4
70.02560	1.2
72.25246	0.6
73.02907	2.1
74.02428	1.0
81.03406	1.1
82.01445	0.8
82.02934	1.4
85.02895	2.8
91.05480	2.1
94.06567	3.9
95.08614	0.8
97.02900	2.3
98.97590	11.1
100.98021	0.8
101.00833	1.9
102.96877	1.4
103.05456	0.8
110.01267	1.7
110.71697	0.6
110.97583	2.0
115.05435	1.4
116.98605	2.2
119.01830	2.0
119.04948	1.3
120.08082	1.5
127.02361	0.8
128.02362	0.9
130.06534	66.5
131.06912	0.9
132.04456	45.6
137.02887	1.0
137.05984	1.5
138.06508	0.7
138.65813	0.9
143.00203	1.0
143.01871	1.4
147.04425	2.0
147.09148	0.9
148.07593	2.8
153.01830	2.1
155.02873	1.3
156.02530	0.8
157.07622	33.8
158.06024	75.3
158.99692	1.4
161.02911	1.5
162.98969	0.7
170.99612	0.8
173.02942	1.6
175.08679	100.0
176.07098	1.7
176.08989	1.3
177.00761	0.9
182.03305	0.7
185.01242	0.9
185.07056	1.2
186.05492	2.3
191.03946	1.9
193.15921	0.9
200.04449	2.5
203.08176	11.1
204.06590	5.4
219.01825	1.1
221.04964	2.2
221.09227	20.9
221.11400	1.1
237.02843	2.0
239.04076	0.9
239.06215	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1381
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
52.72716	0.7
55.05516	2.2
57.07074	0.8
61.11298	0.8
67.05497	0.9
69.07064	2.5
70.09743	3.1
79.05506	3.6
80.14182	0.8
81.03423	2.0
81.07058	3.3
82.39911	0.7
85.06541	3.3
86.37623	0.7
91.05488	32.5
93.07062	5.2
95.04955	1.0
95.08597	2.1
97.06563	0.9
98.20832	1.0
99.08076	2.5
103.05481	2.5
104.06250	0.8
105.07037	14.2
107.04945	1.7
107.08608	2.5
109.06512	0.9
115.05455	4.5
116.06229	1.5
117.07034	19.9
119.04959	3.9
119.08595	18.8
121.06523	2.0
121.10153	2.2
128.06224	2.5
129.07010	8.2
130.07780	1.0
131.04947	23.7
131.08580	15.3
133.06500	8.2
133.10143	5.1
135.08078	3.8
135.11661	1.2
141.06897	0.9
142.07762	0.8
143.08557	3.1
144.09364	1.5
145.06505	13.5
145.07588	0.9
145.10126	5.3
147.08060	100.0
148.08369	1.3
149.06003	3.5
149.09608	1.5
155.08542	4.1
157.10164	2.6
158.10902	1.1
159.08101	4.4
159.11685	3.1
161.09631	10.1
168.09372	3.0
171.11681	1.1
173.09665	0.9
173.13277	9.8
175.11211	1.1
175.14761	1.3
177.12811	1.7
183.11699	5.9
191.14316	0.9
201.12761	33.8
201.16428	1.5
203.14386	3.4
219.13832	23.0
219.17377	13.2
221.35234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03939	2.0
55.01852	1.1
55.05510	7.4
57.03432	0.8
57.07062	2.8
59.04994	0.9
64.15870	0.7
65.03917	0.8
67.05499	7.2
69.03402	0.9
69.07077	6.8
70.78359	0.7
71.04986	1.6
71.49866	0.9
77.03889	1.1
79.05073	1.2
79.05495	15.6
81.07063	15.2
83.04973	1.9
83.08605	3.2
85.06535	1.7
91.05486	40.3
93.06507	1.4
93.07049	14.9
95.04942	3.5
95.08073	0.9
95.08615	11.3
97.06532	4.2
99.08096	6.1
103.05470	10.8
104.06323	0.8
105.07037	63.2
107.04957	5.9
107.08606	13.0
109.06521	4.7
109.10162	6.0
110.62167	0.8
111.04447	1.0
111.08078	1.1
115.05447	7.4
116.06229	3.6
117.07025	28.1
119.04932	1.8
119.08585	42.3
121.06499	7.5
121.10137	11.5
123.04408	1.2
123.08035	2.3
123.11679	1.2
125.05982	11.8
127.36436	0.7
128.06224	1.9
129.07018	12.5
130.07788	4.3
130.08653	0.7
131.04936	51.6
131.08569	44.5
133.06482	4.5
133.10136	15.8
135.08041	3.9
135.11720	5.4
137.09692	1.2
141.06973	1.9
142.07787	0.9
143.08556	6.8
144.09319	3.6
145.06487	5.6
145.09067	1.5
145.10127	19.5
147.08046	36.2
147.11696	7.8
149.05986	100.0
149.09561	2.0
149.13313	3.8
151.03897	3.3
151.66661	0.8
155.06927	1.0
155.08553	1.7
156.09328	1.0
157.10130	1.9
158.10889	3.1
159.08078	4.1
159.11702	17.4
160.12527	0.8
161.09631	6.5
161.13266	7.5
163.07545	5.4
163.11147	2.4
163.14810	1.5
168.09355	1.0
171.11673	1.6
173.09645	1.3
173.13271	22.9
175.07527	1.9
175.11154	4.9
175.14784	3.3
177.09076	2.4
177.12732	3.0
183.11682	4.5
186.10402	1.0
187.03848	1.0
188.12003	0.9
189.09059	1.2
189.16348	1.0
191.07054	1.0
191.10764	1.1
191.14273	2.8
191.17874	1.2
201.08957	0.9
201.12752	18.5
201.16396	9.8
203.14326	17.1
204.09352	0.8
219.06494	1.7
219.10188	4.4
219.13857	59.6
219.17415	70.1
219.20930	2.1
220.14188	1.0
220.17561	0.8
237.14803	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.43684	0.3
51.02346	0.4
53.03903	0.7
55.01834	0.7
55.05511	2.4
57.07036	0.4
65.03898	0.7
67.05511	1.3
67.05784	0.3
69.03426	1.4
69.07027	1.0
70.06552	0.5
70.65495	0.5
70.65827	0.4
71.04955	0.5
71.06908	0.4
72.63023	0.2
77.03905	0.7
78.04677	0.5
79.05495	3.1
81.07056	1.7
81.78283	0.3
83.04985	3.5
83.08616	0.4
85.06522	0.6
88.07610	0.6
89.07925	0.3
91.05479	13.2
93.06586	0.2
93.07042	2.8
95.04965	1.3
95.08571	1.1
97.06513	1.1
102.04668	0.6
102.09175	0.3
103.05470	33.0
104.06274	3.6
105.03401	0.3
105.04526	0.5
105.07037	6.1
106.07857	0.3
106.08639	0.5
106.57353	0.3
107.04942	1.3
107.08593	13.0
109.06506	1.1
109.10142	1.0
111.04464	0.3
111.08051	0.2
115.05457	9.3
116.06266	1.6
117.07029	6.6
119.04934	0.8
119.06063	0.2
119.08585	4.0
120.05643	0.3
121.06496	1.3
121.10162	2.6
123.04413	1.3
123.08060	0.7
125.09689	0.5
127.07571	0.4
128.06232	3.0
129.07002	3.6
130.07790	1.1
131.04930	37.7
131.08565	4.2
132.05742	5.0
132.09381	0.4
133.06500	1.1
133.10132	3.1
134.07289	0.6
135.08057	33.0
135.11720	1.2
137.05994	1.0
137.09689	0.3
141.06967	1.5
143.04916	0.6
143.08577	1.0
144.05713	1.7
144.09387	0.5
145.06488	5.4
145.10121	2.5
146.03662	0.9
146.07246	1.6
147.04381	0.6
147.08055	6.5
147.09250	0.3
147.11725	1.0
148.05231	0.7
149.06027	0.8
149.09680	0.9
149.13277	0.6
155.06013	0.3
157.06485	1.3
157.10196	0.3
158.07272	1.8
158.10962	1.1
159.04417	20.8
159.08055	2.7
159.11684	2.8
160.05206	5.9
160.08917	0.7
161.05991	3.5
161.07234	0.3
161.09631	1.2
161.13313	0.8
161.78137	0.3
162.06868	0.4
163.07539	1.8
163.11163	0.5
168.09381	0.3
169.06552	0.4
170.07266	0.4
171.04538	0.3
172.08829	0.4
173.06039	0.6
173.09698	0.6
173.13284	4.1
174.06767	13.0
175.07549	35.1
175.14894	0.7
176.08221	0.9
177.09195	0.6
177.12820	1.0
183.11829	0.4
183.29298	0.3
185.05922	0.3
186.06895	0.7
186.10483	1.0
187.03905	17.4
187.07640	0.7
188.04402	0.3
188.08432	0.7
189.09117	2.6
191.07085	0.7
191.10748	0.6
191.14435	1.1
191.18015	0.3
201.09109	2.6
201.10867	0.2
201.11266	0.2
201.12820	1.6
201.16414	1.6
201.20563	0.5
203.14323	1.4
219.06796	18.3
219.10159	100.0
219.13968	15.1
219.17310	8.3
219.21474	6.4
220.10500	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03931	0.9
55.01863	0.6
55.05503	1.6
57.03420	0.4
57.07072	0.6
63.02356	0.3
65.03938	0.4
67.05516	1.6
69.07076	1.8
71.05003	0.4
71.49974	0.6
77.03930	0.3
78.04707	0.6
79.05143	0.3
79.05498	3.3
79.44487	0.3
81.07058	2.5
83.04961	0.4
86.72952	0.3
87.30334	0.3
91.05482	10.7
93.07038	2.5
95.04944	1.0
95.08621	1.7
97.06526	2.2
97.47310	0.3
103.05470	18.2
104.05658	0.3
104.06261	3.6
105.06403	0.4
105.07036	4.2
107.04953	1.2
107.08595	2.4
109.06525	0.5
109.10122	1.4
115.05453	9.4
116.06231	1.2
117.07027	8.1
119.04936	0.5
119.08578	3.8
121.06528	0.8
121.10153	2.2
123.04440	2.6
123.08065	0.4
125.09591	0.4
128.06253	2.6
129.07007	4.6
130.07780	1.3
131.04936	24.1
131.08559	5.1
132.05733	5.3
133.06467	1.0
133.10106	2.8
135.08018	1.0
135.11667	0.8
137.05997	0.6
141.06992	3.0
143.04933	0.9
144.05756	1.9
145.06490	5.5
145.10091	2.0
146.03613	0.4
146.07256	0.9
147.04359	0.4
147.08054	6.1
147.11650	0.7
148.05194	1.0
149.05992	0.8
149.09584	0.5
149.13202	0.4
151.03920	2.3
155.06000	0.4
157.06461	2.4
158.06226	0.4
158.07278	2.8
159.04424	10.9
159.08063	3.7
159.11693	2.6
160.05209	6.8
160.08762	0.5
161.05984	3.0
161.09625	1.2
161.13222	1.3
163.04031	0.4
163.07565	0.6
163.11203	0.4
169.06488	0.7
170.07291	0.5
173.05992	1.0
173.09628	0.5
173.13260	1.3
174.05234	0.7
174.06766	15.9
175.07552	33.4
175.14806	0.9
176.04718	0.6
176.08197	0.7
177.09207	0.3
186.06778	1.5
187.03915	8.1
187.07527	0.9
188.08307	1.0
189.09106	6.4
191.07010	0.9
191.10632	0.7
201.09108	3.5
201.12801	0.5
201.16371	1.7
203.14316	3.5
219.06557	9.4
219.10162	100.0
219.17416	13.7
219.21060	0.7
220.10556	2.2
225.97331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05505	1.1
58.08336	0.9
67.05502	2.0
69.90234	4.2
71.04984	1.0
77.16299	0.9
79.05486	1.3
81.07055	2.7
84.82864	0.8
85.06498	0.9
91.05489	14.9
93.07041	1.9
95.04980	1.0
95.08610	2.1
103.05465	3.9
105.06419	0.9
105.07008	5.9
107.04965	1.4
107.08599	2.8
109.10136	1.4
115.05466	12.9
116.06236	4.1
117.07029	5.5
118.07887	1.0
119.04966	0.8
119.08588	3.5
119.30714	1.0
121.06522	0.8
121.10136	3.0
128.06229	8.3
129.07018	44.5
130.07770	2.8
131.04942	8.4
131.08578	41.8
131.09425	0.7
132.05676	1.0
133.10135	6.2
135.08098	1.1
137.05977	5.0
141.07004	37.6
143.04939	2.2
143.08527	2.5
144.05716	7.2
145.06514	8.7
145.10185	2.3
146.07292	6.0
147.08084	1.6
147.11723	1.2
148.05232	2.1
151.03859	2.8
155.06081	1.2
157.06499	21.3
158.07292	25.1
159.04424	3.4
159.08064	29.5
159.11710	3.6
160.05205	7.1
161.06030	1.8
161.09639	5.1
161.10905	1.1
162.06784	1.2
163.03944	0.9
163.07484	2.7
169.06494	15.4
169.07718	1.0
170.07263	8.3
171.08060	2.0
173.06003	3.5
173.09650	3.1
173.13225	1.7
174.06776	85.0
175.07567	25.3
183.11670	1.0
185.05974	2.5
186.06772	20.5
187.07518	2.6
188.08336	4.0
189.09119	94.4
190.09579	1.4
191.10687	8.2
191.14238	1.0
201.09119	41.5
201.16461	0.9
203.14334	4.8
208.46100	1.0
219.10176	100.0
219.13757	4.0
219.17404	13.5
233.19582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05500	2.2
57.03439	1.2
62.11538	0.9
67.05499	2.6
68.47787	1.0
69.91891	2.4
69.92294	2.9
76.33360	1.0
79.05481	1.3
81.07053	1.5
91.05494	14.6
92.56963	1.1
93.06991	1.2
93.37482	1.1
95.08617	1.4
98.20906	1.4
103.05453	4.1
105.07011	6.7
107.08563	1.8
115.05470	9.7
116.06229	2.2
117.07037	3.3
119.08585	3.5
119.70444	1.1
121.10098	2.1
125.09673	1.3
128.06247	11.0
129.07011	46.0
130.07805	2.5
131.04936	9.5
131.07617	2.4
131.08574	37.9
133.10130	6.7
135.02097	1.2
137.05984	3.1
141.07007	36.7
143.04907	1.4
143.08511	1.9
144.05753	6.7
145.06480	9.0
145.10101	2.2
146.07260	4.4
147.11694	1.1
148.05171	1.5
155.05971	1.5
157.06494	21.2
158.07297	22.9
159.04424	4.9
159.08066	27.4
159.11647	2.3
160.05196	6.0
161.05995	1.8
161.09601	4.1
163.07527	2.8
168.05661	1.8
169.06482	18.4
169.07756	1.3
170.07230	6.4
171.08092	1.1
173.06046	5.7
173.09747	1.2
173.13278	1.2
174.06776	83.6
175.07558	13.9
185.05937	1.5
186.06757	17.0
187.07462	1.7
188.08279	3.5
189.09120	95.3
190.09496	2.0
191.07021	2.4
191.10643	6.7
201.07317	2.5
201.09132	38.3
201.16385	1.7
203.14314	3.6
219.10173	100.0
219.17432	12.8
220.10547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54940	18.4
69.68169	100.0
69.68533	15.5
76.46606	16.0
79.87011	16.2
98.21507	31.1
115.57316	16.8
199.25775	17.6
204.89888	17.5
238.26839	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.22364	0.9
55.05503	1.5
57.03446	1.7
62.31688	0.8
65.03930	1.0
67.05503	3.5
69.43803	8.0
70.40517	0.9
71.04994	1.8
79.05477	2.9
81.07060	6.8
82.99236	0.9
83.04994	1.1
91.05483	15.2
93.07053	4.4
95.04948	1.9
95.08578	2.6
103.05472	5.9
105.07045	11.7
107.08604	3.4
109.06522	1.9
109.10186	2.0
115.05466	10.7
116.06221	3.1
117.07028	4.2
119.04897	1.1
119.08595	5.0
121.06535	1.3
121.10168	5.3
125.09679	2.5
128.06207	9.3
129.07019	38.7
130.07800	2.8
131.04938	10.6
131.08575	37.4
133.10138	14.5
135.08063	2.0
135.11694	1.3
137.05966	3.9
141.07001	35.1
142.07782	1.1
143.04947	1.3
143.08557	3.1
144.05710	5.6
145.06482	7.8
145.10098	3.9
146.07259	5.5
147.11688	2.3
155.08566	1.6
156.05682	1.2
157.06508	21.3
158.07291	20.7
159.04430	3.5
159.08072	26.7
159.11707	5.9
159.63081	1.0
160.05164	7.1
161.06062	1.6
161.09653	4.6
161.13260	2.7
163.07536	3.5
169.06479	13.6
169.07654	1.9
170.07288	7.5
171.08049	1.7
173.06006	6.1
173.09596	2.3
173.13249	2.4
174.06779	75.0
175.07550	16.0
176.04599	1.2
186.06755	19.2
187.07565	3.1
188.08334	3.2
189.09119	89.6
190.09465	1.9
191.07045	2.2
191.10660	7.6
201.09122	40.6
201.12816	2.7
201.16414	3.4
203.14319	6.2
219.10184	100.0
219.13797	5.7
219.17429	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1953
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
52.12849	1.0
53.03946	1.6
55.05515	32.3
57.07069	2.2
59.04992	1.3
65.03948	1.6
67.05508	21.3
69.07070	21.0
69.37999	8.7
74.15407	1.1
79.05499	9.8
81.07059	27.8
83.04987	29.1
83.08629	9.0
85.06544	2.3
87.04465	3.1
89.02374	3.2
89.06036	5.2
91.05491	11.5
93.07053	18.2
95.08613	46.2
97.10182	1.9
98.21592	1.7
99.04461	2.3
101.06017	11.5
105.07037	45.9
107.08596	28.6
109.06512	1.3
109.10164	40.0
111.04445	39.7
111.11742	1.8
113.05986	5.4
117.06989	3.5
119.08586	51.9
121.10149	28.3
123.11702	17.5
123.73082	1.0
124.21286	1.0
127.07555	4.7
128.06279	1.5
129.05476	4.9
129.07014	3.6
130.07840	1.4
131.08582	6.9
133.10139	43.9
133.87784	1.0
135.07974	1.2
135.11703	13.0
137.13235	2.3
143.08562	3.4
145.10158	7.4
147.11694	43.0
149.13280	2.4
155.07040	53.2
156.09380	1.1
157.10129	3.1
159.11702	6.6
161.05981	1.8
161.09659	1.4
161.13268	52.2
171.08549	1.1
171.11650	3.8
173.08116	24.6
173.13290	5.4
174.14082	2.2
175.11263	2.0
175.14854	20.8
186.54094	1.1
189.16443	7.7
199.09657	2.4
199.11275	1.6
199.14803	3.9
217.08698	1.5
217.10622	25.4
217.16199	15.6
217.19519	100.0
217.95665	1.1
218.19865	1.5
224.98341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.03938	2.7
55.05517	46.8
57.07066	2.3
59.05004	3.4
65.03934	1.7
67.05513	24.9
69.03427	3.7
69.07077	13.1
69.31831	12.2
73.02901	2.2
79.05504	12.1
81.06606	1.8
81.07064	29.8
83.04498	2.3
83.04988	51.3
83.08641	7.3
85.06562	4.3
87.04463	5.7
89.02390	5.7
89.06030	7.7
91.05492	14.7
93.07058	20.9
95.08617	54.9
99.04459	5.0
101.06024	21.4
105.07041	42.0
107.08607	36.1
109.10168	53.2
111.04455	69.1
111.08053	2.1
113.06026	8.2
115.05450	1.9
117.07028	6.5
119.08586	40.9
121.10167	33.9
123.08086	1.8
123.11730	16.9
127.07584	11.7
128.06226	3.3
129.05484	12.7
129.06973	4.0
131.08589	12.7
133.10146	22.2
135.07973	2.1
135.11717	9.4
137.13281	1.6
139.44945	1.6
142.07785	4.3
143.08562	8.5
144.09312	1.5
145.06465	3.8
145.10115	9.7
147.06433	1.4
147.08072	4.5
147.11710	30.2
149.13246	2.3
155.07050	100.0
156.05666	3.3
156.09329	4.1
157.10146	9.9
159.08104	1.8
159.11722	8.3
161.09604	4.0
161.13272	37.2
170.10944	1.5
171.11725	9.8
173.08119	51.2
173.13272	4.2
175.07616	1.9
175.11192	2.9
175.14864	12.9
182.97125	1.6
184.12436	3.2
187.14841	1.9
189.12849	1.9
189.16370	9.6
199.09654	4.0
199.11307	1.8
199.14819	13.5
214.14964	1.7
217.08702	3.2
217.10687	45.4
217.12311	6.9
217.16046	26.9
217.19514	91.3
218.19720	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.086
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
51.79113	0.5
55.01861	0.6
55.05516	8.5
59.04985	1.0
60.93122	0.4
67.05493	1.5
69.03426	0.9
71.04984	0.4
78.04681	0.5
79.05479	0.5
81.07052	0.9
82.04367	0.4
82.37585	0.4
83.04500	0.6
83.04987	13.0
83.08585	0.6
85.06541	1.2
87.04460	1.5
89.02378	1.2
89.06046	2.9
91.05473	1.4
93.07034	1.6
95.04934	0.6
95.08596	1.4
99.04446	1.0
101.06042	5.3
102.04673	0.7
103.05436	0.7
104.06246	2.3
105.07056	2.4
107.08599	1.3
109.10181	1.0
111.04453	17.4
111.05223	0.9
111.08054	0.4
113.05997	2.1
115.05453	0.9
115.86913	0.4
116.06238	0.9
117.07089	0.5
119.08566	1.6
121.10139	1.3
127.07539	2.6
128.06232	24.9
128.62573	0.5
129.05495	3.1
129.07021	2.9
131.04936	3.1
131.08553	1.4
133.10132	1.7
137.41704	0.5
142.07768	0.5
143.08557	0.9
144.05704	1.4
145.06543	1.3
145.10138	1.2
146.07239	0.7
147.08080	0.6
147.11687	1.1
155.05798	1.0
155.07043	24.0
156.05705	86.9
157.06540	2.3
157.10170	1.7
159.04420	1.1
159.08057	0.9
159.11694	1.6
160.05223	0.7
161.06007	0.8
161.09612	0.8
161.13284	1.3
171.04405	0.8
171.11716	1.2
172.05122	1.0
173.06003	5.7
173.08121	13.2
173.09537	0.9
173.13315	0.6
174.06728	3.1
175.11168	0.6
175.14766	0.5
184.05199	10.9
185.06012	0.5
186.06836	0.8
187.03940	1.1
187.07622	0.6
189.09109	1.3
199.07736	0.6
199.09677	1.1
199.14819	1.0
201.05469	1.5
202.06256	20.6
217.08641	100.0
217.10677	10.5
217.15765	3.5
217.19559	1.8
218.09001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.086
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
50.47105	0.5
55.01855	0.8
55.05513	11.9
56.83236	0.5
59.04988	0.9
67.05473	2.2
68.31224	0.7
69.03413	1.1
69.07047	1.8
71.49699	0.9
71.81975	0.7
71.94708	0.5
73.02942	0.6
79.05479	1.3
81.07033	2.2
83.04508	1.1
83.04983	17.9
83.08602	1.7
85.06541	1.5
85.35097	0.5
87.04443	2.1
87.04918	0.5
89.02380	1.8
89.06030	3.2
91.05457	2.8
93.07004	1.3
95.04958	0.7
95.08606	3.5
99.04424	1.2
101.06026	7.3
103.05465	0.9
104.06236	2.7
105.07050	4.3
107.08578	2.5
109.10157	2.1
111.04445	25.6
112.22397	0.6
113.06032	2.8
115.05459	1.6
117.07050	1.4
119.08595	3.3
121.10146	1.4
127.07519	2.8
128.06227	25.5
129.05505	3.0
129.06989	2.4
131.04933	2.8
131.08591	3.2
133.06448	0.6
133.10110	4.0
135.11694	0.9
142.07793	0.9
143.08559	2.0
143.39412	0.7
144.05704	2.1
145.06456	1.2
145.10098	1.6
146.07242	0.9
147.08070	1.4
147.11694	3.2
155.07045	34.7
156.05708	96.1
157.06493	1.3
157.10133	1.8
159.04428	1.8
159.08064	1.2
159.11719	2.2
160.05168	0.9
161.06020	0.8
161.09647	1.9
161.13272	2.5
171.04410	0.9
171.07928	0.6
171.11719	2.2
172.05222	1.4
173.05997	6.3
173.08115	17.3
173.13281	1.3
174.06792	3.8
175.07597	1.0
175.11255	1.2
175.14877	1.5
184.05220	11.8
185.05972	0.7
186.06856	0.8
187.03983	1.1
187.07622	1.4
187.14795	0.8
189.09135	1.6
189.12781	1.0
189.16403	1.2
199.09671	1.8
199.11287	0.7
199.14816	2.7
201.05534	1.4
202.06253	23.8
213.14604	0.6
217.08652	100.0
217.10698	14.5
217.12369	4.5
217.15802	6.6
217.19444	4.5
218.08975	0.9
237.44403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0861
Annotation	2-(6-methoxynaphthalen-2-yl)acetic acid
Peak:m/z	Relative Intensity
52.73555	1.2
53.34896	1.5
55.01877	9.1
55.05321	1.0
55.05523	10.4
56.90867	1.3
57.61632	1.1
62.00106	1.3
67.05500	1.3
69.03435	1.6
69.34232	5.4
69.34661	5.3
76.83667	1.4
83.04983	15.6
83.08617	1.7
87.04440	1.9
89.06027	1.8
91.05489	3.7
93.03415	1.3
99.04485	2.0
99.51953	1.3
101.06023	8.7
103.05465	2.6
105.07050	1.7
107.08624	1.5
111.03730	1.8
111.04458	25.7
113.06021	3.5
114.43542	1.3
115.05450	9.3
116.07040	1.5
117.07059	3.0
121.06429	1.5
127.07567	3.4
128.06236	46.9
129.05490	4.2
129.07018	81.5
131.04922	8.8
131.08575	3.8
137.06015	2.6
137.15944	1.3
139.05446	15.1
141.07007	6.0
143.04938	4.2
143.08578	16.3
144.05733	4.0
145.06483	7.6
146.07320	2.8
147.08051	2.2
153.07025	2.1
155.06006	4.8
155.07063	29.1
156.05707	21.6
157.06503	94.3
157.10135	2.3
158.07274	2.4
159.04466	5.5
159.08104	2.6
160.05173	11.0
161.06015	4.2
161.09656	4.3
167.04936	13.5
168.05737	3.5
171.08061	23.9
171.09393	2.4
173.05992	10.3
173.08104	17.3
174.06789	37.6
175.07547	31.2
184.05241	11.0
185.06001	35.5
186.06793	2.1
187.07602	5.5
188.08333	3.0
189.07738	0.8
189.09120	66.3
199.07564	70.4
199.14780	1.3
202.06255	12.3
217.05251	2.8
217.08650	100.0
217.10721	14.1
217.15892	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	217.086
Annotation	2-(6-methoxynaphthalen-2-yl)acetic acid
Peak:m/z	Relative Intensity
52.45958	1.2
53.12589	1.3
55.01872	11.1
55.05513	15.8
59.04991	2.2
59.14266	1.2
63.02348	1.1
64.27041	1.2
67.05500	2.5
69.03419	1.3
71.22736	2.7
73.02914	1.9
78.74448	1.2
83.04989	24.5
85.06540	1.7
87.04454	3.1
89.02375	2.9
89.06022	3.7
91.05479	2.6
99.04486	1.4
101.06017	9.4
103.05466	3.3
105.07011	3.6
111.03732	2.2
111.04453	35.1
113.05998	3.9
115.05449	9.9
117.06985	2.2
119.08561	1.8
127.07554	3.6
128.06233	45.8
129.05461	3.3
129.07010	82.7
131.04945	8.1
131.08525	2.9
137.05974	2.0
139.05438	14.5
141.06995	6.0
143.04909	4.4
143.08580	15.4
144.05687	4.1
145.06470	7.9
146.07277	5.3
147.07988	1.9
152.06160	1.4
153.06880	1.5
155.06007	3.9
155.07056	38.9
156.05714	15.5
157.06494	95.8
158.07219	5.5
159.04448	8.4
159.08089	2.5
159.11685	1.8
160.05217	11.2
161.05968	5.0
161.09573	3.2
164.70801	1.4
167.04942	9.4
168.05685	4.5
169.06514	2.2
171.08055	27.3
172.05209	3.6
173.05986	8.6
173.08122	23.7
174.06784	42.2
175.06062	2.1
175.07550	27.8
184.05209	12.9
185.05994	35.3
186.06754	3.2
187.07556	9.7
188.08331	4.5
189.05515	2.3
189.09122	70.3
199.07567	70.8
199.09497	4.0
202.06290	8.9
217.08595	100.0
217.10695	22.8
217.15857	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	217.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
55.05239	1.3
55.05514	22.0
56.96568	63.9
57.03429	1.6
58.99845	1.5
59.04996	2.0
67.05500	3.1
69.03419	3.5
69.68343	5.2
69.68764	2.1
70.06577	2.3
70.98124	12.3
70.99863	5.4
72.08160	8.5
72.41167	1.0
72.93789	1.4
73.02927	4.3
73.06564	1.4
81.03438	1.4
82.99850	3.9
83.04984	30.5
83.08617	3.0
84.08162	1.6
84.96041	1.3
85.01381	1.6
85.02904	3.7
85.06554	2.6
87.04469	3.8
88.99182	2.2
89.02395	3.0
89.03912	2.3
89.06030	6.0
90.63673	0.9
97.02880	1.7
98.21489	2.5
98.97596	28.8
98.98582	1.3
99.04430	1.7
101.00895	26.8
101.06016	11.9
102.96854	1.0
103.00611	3.1
103.02431	3.5
104.73933	1.1
110.97581	33.3
111.04449	44.4
112.99178	1.1
113.00874	2.1
113.06001	5.7
115.02454	2.5
116.98633	12.3
117.04052	1.9
118.61656	1.1
119.01925	34.5
121.01690	5.6
124.95488	1.5
124.99129	2.3
127.01611	1.0
127.02458	3.4
127.07541	7.3
128.98613	25.9
129.03986	1.4
129.05492	4.9
131.01906	5.9
131.38367	1.2
132.95836	2.1
133.01619	1.6
133.03487	10.0
134.99638	2.4
135.03421	1.0
135.04399	3.2
137.02939	4.5
137.06024	2.0
140.98567	1.2
142.96544	1.8
143.00163	3.1
143.01888	1.8
144.95850	2.2
145.01704	1.3
145.03496	32.0
146.99654	9.6
149.03012	2.1
151.04527	1.2
155.07042	56.4
156.98105	28.4
157.01605	1.3
157.03513	1.6
158.99631	2.7
161.01282	1.1
161.02966	3.2
163.01794	1.2
163.03976	9.0
165.00763	1.3
165.04057	1.2
168.98045	1.4
170.99994	1.8
171.01353	9.0
173.02931	2.9
173.08105	31.8
174.99167	100.0
175.00847	6.6
177.00693	2.8
177.02449	1.4
185.05490	1.3
186.96933	2.4
189.00819	2.7
189.02353	10.2
191.04004	5.2
193.00217	71.4
194.00525	1.3
194.03003	4.4
199.00925	2.5
199.09717	2.9
203.02309	2.5
207.03583	2.5
211.01280	2.1
217.00179	2.2
217.02020	8.1
217.05350	2.4
217.07495	1.5
217.10779	30.4
221.03229	1.5
231.01717	2.1
235.03004	2.3
235.04973	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50368	0.7
55.01878	1.0
55.05513	0.8
56.96568	24.2
56.96856	1.1
57.03436	3.6
61.02930	4.7
62.99117	0.7
69.03426	4.3
69.07072	9.7
69.77464	0.6
70.06590	2.3
70.71849	1.2
70.98126	3.2
71.04980	1.1
71.95274	1.8
72.03862	0.7
72.08154	0.7
73.02924	6.1
76.67702	0.8
81.03437	1.1
82.01454	1.8
82.99835	7.1
83.00829	0.7
83.04993	0.9
84.08162	1.9
84.96031	1.6
85.02896	5.3
86.09709	89.0
89.00795	1.0
97.02883	2.2
97.06532	11.6
97.96841	0.8
98.03162	0.9
98.97588	25.6
99.04459	1.6
99.97926	2.4
100.02503	3.4
100.99156	2.3
101.00885	53.1
102.96902	1.1
104.01303	0.8
109.02853	0.8
110.01289	1.8
110.97574	6.6
112.02493	1.5
112.99167	0.9
113.00888	2.9
114.04053	1.4
115.02432	1.5
116.98612	5.8
117.02104	0.7
117.99020	1.0
118.03528	10.2
119.01922	100.0
120.01966	1.0
121.01640	0.8
122.01299	0.7
124.99158	1.2
126.04019	1.2
126.07672	0.9
126.97069	1.4
127.03925	2.7
128.02292	2.1
128.98613	5.0
130.03514	1.9
131.01917	5.7
132.05019	0.7
133.03458	2.4
136.04578	1.4
137.02956	15.6
137.53151	0.7
140.02345	1.5
140.98654	0.7
142.03468	1.1
143.00156	1.0
143.01912	2.2
144.05063	2.9
144.08704	2.6
144.98123	2.0
145.03473	1.9
146.02403	1.3
146.03568	1.0
146.99683	2.4
148.01996	0.9
149.02899	2.7
152.02220	1.1
154.03539	2.1
154.96448	0.9
155.00105	0.8
155.05533	2.2
158.99675	2.5
161.02852	3.8
162.09802	1.3
164.04628	1.1
168.01878	0.7
168.08693	6.2
170.03336	1.9
170.99648	1.7
172.04469	1.7
172.94415	1.1
172.97581	3.2
173.01283	1.1
173.02994	2.8
173.06595	3.4
177.00832	1.3
177.02446	1.0
186.09764	60.2
189.00728	1.1
190.98607	4.7
191.02364	1.1
191.03973	4.8
191.07666	2.5
196.08124	3.5
197.06578	5.0
201.00725	1.5
204.10844	16.2
208.99669	1.5
214.03813	2.3
214.05797	1.7
214.09247	34.9
215.07724	4.6
219.01729	2.0
232.10312	64.0
232.96393	0.9
233.08720	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	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03928	1.1
55.01868	3.1
55.05516	9.8
57.07076	2.9
67.05507	7.2
69.03423	3.1
69.06743	1.4
69.07080	18.9
71.04994	5.1
75.10231	1.2
79.05497	7.0
81.03424	1.2
81.07067	20.8
83.08633	9.6
85.06532	4.5
91.05469	2.6
93.07058	17.9
95.04951	1.7
95.08617	38.3
97.10181	8.0
99.04388	1.1
99.08102	35.5
103.05462	1.8
105.07022	4.6
107.04969	9.1
107.07896	1.8
107.08607	37.6
109.02911	2.4
109.10175	12.4
111.08093	17.0
113.09650	2.3
115.05438	1.6
121.10158	61.0
123.04459	1.3
123.11755	1.7
125.09634	6.5
127.03934	6.3
135.08054	2.4
135.11694	11.8
137.13287	8.8
139.11198	3.1
149.13272	5.2
151.03972	1.5
157.10172	1.5
163.07489	5.8
167.07060	20.2
177.16403	100.0
178.89038	1.3
185.09712	1.8
195.10188	1.6
195.17494	15.0
213.09142	2.2
213.18520	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03941	2.4
53.96494	1.8
55.01860	3.5
55.05517	24.4
57.03442	3.6
57.07078	5.7
59.05007	4.1
65.99257	1.6
67.05517	12.3
69.07076	51.8
71.04999	10.5
71.08652	1.8
71.16668	2.0
71.17000	2.6
78.04739	3.5
79.05504	17.8
80.05841	1.9
81.07063	40.7
83.04986	4.9
83.08628	15.3
85.06557	20.2
88.07652	2.0
91.05487	7.6
93.07056	20.9
95.05001	4.2
95.08618	57.1
95.56847	1.6
97.06538	5.9
97.10188	10.2
97.23439	1.6
99.08105	16.6
103.05457	9.3
105.07029	11.3
107.04967	56.6
107.08602	36.7
109.10175	21.4
111.08090	5.6
111.11736	5.2
113.09656	6.7
115.05493	4.7
121.06543	1.9
121.10152	46.6
123.04401	5.8
123.11753	9.0
124.05255	1.7
125.05994	3.0
125.09637	5.9
129.07054	2.1
135.08066	13.2
135.11713	19.1
137.13264	17.0
139.03983	2.6
139.11174	7.6
142.07776	3.0
143.08582	2.6
145.07642	2.7
145.10089	2.2
149.13313	3.5
151.03920	2.9
151.14790	2.5
153.07031	2.6
153.12819	2.9
154.06296	2.5
156.09334	1.9
157.10226	4.0
161.13271	2.3
163.07578	28.8
167.07060	100.0
171.11758	1.8
177.16414	49.1
180.07918	2.8
181.07655	4.1
195.08359	3.3
195.10187	14.2
195.17459	11.8
198.06767	2.0
207.39348	1.7
213.05516	6.9
213.09212	7.5
213.12958	2.5
213.16553	3.7
213.18597	4.1
231.89914	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03947	1.5
53.62575	0.8
55.01862	0.9
55.05275	1.1
55.05517	19.1
57.03434	1.8
57.07080	12.3
67.05498	5.2
69.07067	5.0
74.92524	0.8
79.05499	5.9
79.62176	0.9
81.07057	7.8
83.04990	9.3
83.08607	1.8
85.06539	5.8
88.07622	2.4
91.05485	6.1
92.54760	0.8
93.07042	15.4
95.04971	1.4
95.08620	12.5
97.06545	5.5
98.20820	2.8
105.07037	8.1
107.04942	2.6
107.08600	22.8
109.06522	3.0
109.10152	3.6
111.04447	100.0
111.08084	3.6
113.05994	1.5
115.05511	0.8
117.07024	1.9
119.08583	7.9
121.06509	3.7
121.10163	4.1
122.07320	1.1
123.08068	1.2
125.05998	29.1
125.09655	1.0
127.07573	2.6
128.06242	3.7
129.07002	3.6
130.07796	2.4
131.08594	1.1
133.10153	1.6
135.08066	13.6
135.11700	22.9
137.13245	1.4
139.07559	4.7
141.06993	2.0
142.07776	3.1
143.08563	16.8
145.10124	17.0
153.12761	5.0
155.08536	1.8
156.09360	3.1
157.10139	17.7
163.11185	21.6
167.07025	1.0
169.10135	1.8
170.10953	1.8
171.11705	12.3
181.12241	37.1
183.11728	1.9
184.12442	1.4
185.13260	3.0
195.13834	5.8
198.14091	2.8
213.12756	3.1
213.16408	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	213.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52496	0.3
55.05503	1.6
57.07063	0.8
64.48267	0.3
69.07073	4.0
71.50177	0.4
79.05470	0.7
81.07027	0.4
86.71635	0.4
88.07632	0.5
91.05478	0.9
93.07040	0.8
105.07010	1.7
107.04899	0.5
107.08591	1.0
115.05463	0.5
119.08596	4.7
121.10134	0.5
128.06247	3.0
129.07021	1.9
131.08592	0.7
133.10135	0.6
141.07010	1.0
142.07814	4.0
143.08566	18.2
145.10106	2.3
153.06876	0.4
154.07756	0.4
155.08528	1.3
156.09344	9.9
157.10135	20.9
158.10931	1.9
159.11739	2.3
167.07040	0.6
168.00642	0.4
169.10135	2.4
170.10907	3.4
171.11691	29.0
172.12399	1.4
183.11696	4.4
184.12535	2.1
185.13269	5.2
196.12334	0.4
197.13266	0.5
198.14046	5.1
211.14847	1.2
213.16380	100.0
214.16731	1.7
217.61882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.5
53.03939	1.3
55.01873	1.1
65.03939	0.8
67.05495	0.7
70.81537	1.4
71.05009	0.5
77.03925	0.6
78.04710	2.2
79.05503	8.1
81.07078	0.9
87.18100	0.4
91.05489	3.6
93.07047	0.5
94.04226	0.8
95.04977	2.8
103.05471	7.4
103.15900	0.4
105.04522	1.0
105.07040	4.6
105.68039	0.5
106.04173	2.0
107.04962	56.8
107.08585	0.7
109.02867	0.5
109.06532	0.5
115.05472	4.0
117.07039	1.8
119.04945	0.5
120.05714	2.2
121.06565	0.6
122.03690	0.8
123.04425	6.2
124.05234	3.0
125.06029	0.7
127.03940	0.5
131.04938	1.9
133.06497	0.7
135.04401	0.5
135.08061	14.7
137.05983	1.4
139.03918	0.7
145.07613	1.5
147.04436	1.0
147.84641	0.5
151.03896	1.9
152.04683	1.9
154.06265	1.5
163.07555	27.1
166.44043	0.5
167.07050	100.0
168.07445	0.7
180.07828	3.0
195.10182	14.1
213.11250	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
52.03195	0.3
53.03950	1.7
55.01873	1.1
55.05525	0.4
59.40684	0.3
65.03946	0.8
66.89420	0.3
67.05505	1.0
69.03433	0.9
71.04357	0.7
71.04986	0.4
77.03918	0.5
78.04720	2.9
79.05501	9.1
81.03400	0.7
81.07061	1.3
83.04957	0.4
83.13316	0.3
85.02915	0.6
85.06560	0.4
88.07626	0.6
91.05493	5.0
92.06306	0.3
93.03427	0.7
93.07064	1.0
94.04203	0.6
95.04964	2.7
95.08598	0.6
97.06567	0.3
100.79800	0.3
103.04807	0.6
103.05476	8.5
105.03392	0.4
105.04533	0.6
105.07042	5.5
106.04162	1.8
107.04964	61.3
107.08613	0.9
109.02901	0.8
109.06557	0.6
109.10224	0.3
110.03671	0.7
111.04457	0.6
111.54538	0.4
115.05464	4.4
117.07029	1.5
119.04942	0.8
120.05707	2.0
121.06490	0.7
121.10191	0.5
122.03651	1.0
123.04437	6.2
124.05241	3.7
125.02358	0.3
125.05965	1.2
127.03951	0.5
128.06253	0.4
131.04947	2.4
133.06471	0.9
134.03670	0.6
135.04459	0.6
135.08067	14.7
137.06018	1.7
139.03893	0.5
142.07808	0.6
143.08583	0.7
145.06592	0.4
145.07564	1.6
147.04419	1.3
148.05118	0.4
149.02342	0.4
149.05939	0.6
149.09613	0.4
151.03925	1.8
152.04681	2.3
154.06255	3.5
156.09309	0.4
157.06468	0.5
157.10141	1.1
163.07556	26.4
164.08200	0.3
165.05486	0.8
165.06935	0.5
167.07047	100.0
168.07431	0.4
171.08069	0.5
171.11748	0.4
177.16324	0.4
180.07851	3.4
181.04971	1.1
185.05920	0.5
185.09593	0.6
185.13341	0.4
195.10176	14.5
195.11676	0.6
213.05688	0.4
213.09071	2.2
213.11201	2.1
213.12769	1.6
213.16370	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03955	1.2
53.72210	0.9
58.36166	0.7
59.42358	0.7
61.08308	0.8
65.68336	0.8
70.77654	0.8
70.77971	1.4
78.04720	2.1
79.05496	6.7
79.89595	1.1
83.21167	1.0
85.58619	0.8
88.07734	0.9
91.05492	4.6
95.05006	1.8
103.05479	8.2
105.04533	0.9
105.07057	4.0
106.04173	1.0
107.04967	55.0
115.05460	3.3
119.04988	0.9
120.05721	2.1
123.04433	5.8
124.05222	2.8
125.06010	0.9
131.04926	2.2
135.08073	14.1
137.47026	1.0
139.03877	0.9
145.07574	1.4
149.05975	0.9
151.03859	1.2
152.04669	1.9
154.06271	3.6
163.07564	28.2
167.07054	100.0
180.07874	3.7
181.08676	0.8
195.10182	15.1
195.82538	0.9
196.12314	0.8
213.11189	1.4
228.32332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01867	1.2
55.31902	0.4
56.38794	0.5
56.39055	0.5
60.88341	0.4
62.27165	0.5
65.03957	0.6
69.03472	0.5
69.07069	0.5
69.50091	3.7
70.06606	0.6
78.04720	1.9
79.05499	8.5
81.07061	0.8
83.06290	0.5
91.05484	4.2
93.03435	0.7
93.07035	0.7
95.04975	2.1
96.05729	0.5
103.05476	8.8
105.04523	0.8
105.07040	5.2
106.04180	2.6
107.04967	59.9
107.08578	1.2
109.06527	0.7
115.05467	3.9
117.07013	1.5
119.04918	0.5
120.05721	2.1
121.06509	1.1
123.04428	5.7
124.05238	3.0
125.05988	1.7
131.04935	2.5
133.02888	0.7
133.06520	0.8
134.03615	0.7
134.72664	0.4
135.04436	0.7
135.08060	13.8
137.05998	1.2
139.03912	0.7
145.07628	1.7
147.04431	1.2
149.05946	1.1
151.03900	2.7
152.04680	2.2
153.05418	0.5
154.06271	2.2
162.06792	0.6
163.07561	25.3
164.08228	0.5
165.05495	0.9
167.07053	100.0
174.42519	0.5
180.07861	4.1
195.10199	16.6
202.36356	0.5
213.09384	0.5
213.11232	2.6
226.17291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61334	0.7
53.03942	1.2
55.01862	0.8
57.56296	0.6
67.05498	1.3
69.61456	3.7
78.04707	2.4
79.05502	6.7
81.07048	1.1
85.37713	0.6
91.05484	3.7
95.04947	1.9
96.49961	0.7
98.20860	1.4
101.16484	0.7
103.05470	8.2
105.07025	5.4
106.04187	1.6
107.04958	55.6
107.08630	1.0
110.03653	0.9
115.05457	5.2
117.07024	1.4
119.04938	1.0
120.05751	1.7
122.03670	1.3
123.04453	5.2
124.05180	2.2
125.06007	0.7
131.04927	1.9
133.06433	0.8
135.08063	14.2
137.06001	1.9
145.07658	1.8
147.04353	1.1
149.05978	0.7
151.03871	2.0
152.04697	1.6
154.06239	2.6
163.07544	26.5
165.05455	1.0
167.07043	100.0
171.11703	0.6
180.07806	3.5
195.10173	14.4
213.09181	1.5
213.11244	1.9
213.16422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1124
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.02390	0.4
51.18249	0.3
53.03948	1.3
55.01877	0.9
65.03954	0.5
67.05499	0.4
69.03455	0.5
69.53109	2.3
73.16182	0.3
77.03948	1.0
78.04714	2.7
79.05503	8.9
81.03425	0.6
81.07063	1.2
84.99880	0.3
85.06535	0.3
91.05489	4.2
93.03425	0.6
93.07056	1.1
95.04988	2.0
95.08608	0.4
96.05767	0.3
99.08103	0.3
103.05481	8.6
105.03384	0.4
105.04528	0.7
105.07043	6.3
106.04190	2.6
107.04967	62.1
107.08598	1.0
109.06552	0.4
109.10229	0.3
109.89956	0.3
110.03671	0.7
111.08054	0.4
115.05460	3.8
117.07021	1.8
119.04935	0.8
119.08581	0.3
120.05743	2.4
121.06506	1.1
121.10146	1.1
121.17177	0.3
122.03674	0.7
123.04443	6.4
124.05225	3.2
125.02356	0.4
125.05991	0.5
131.04994	2.0
133.06525	0.6
134.03610	0.5
135.08069	14.9
137.06009	1.6
139.03859	0.5
139.07504	0.4
145.07585	2.1
147.04411	1.0
148.05183	0.3
149.05992	0.7
149.99820	0.3
151.03922	1.2
152.04686	2.6
152.05939	0.4
153.01939	0.4
154.06247	2.2
157.00893	0.3
157.10127	0.4
163.07562	28.6
164.08241	0.4
165.05487	0.6
167.07057	100.0
168.07413	0.9
177.16425	0.4
180.07814	3.5
188.21356	0.3
195.10188	15.5
208.65135	0.3
213.09396	0.4
213.11070	1.9
213.16388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03942	2.1
55.01870	1.7
59.09748	0.7
61.02939	8.0
65.03951	6.5
67.05519	3.5
68.99810	0.7
70.06602	3.8
70.54397	2.2
70.67085	0.7
77.03920	1.1
78.01001	0.7
79.05503	19.2
81.03420	1.0
85.71185	0.8
88.07686	0.9
89.03956	1.7
91.05477	4.4
92.97719	0.8
93.03410	12.2
95.04986	2.7
105.03398	2.1
105.04530	1.6
107.04964	26.8
108.02122	3.0
110.03676	22.1
111.04462	8.9
116.07145	1.1
117.03369	1.7
119.05000	1.0
120.77180	0.8
121.06515	8.7
122.03690	6.0
125.06007	64.0
133.02864	11.4
134.03680	0.9
135.04422	28.4
137.05983	5.2
141.05460	3.1
149.05997	21.0
150.03131	12.2
151.03926	100.0
151.05049	12.0
153.05476	11.7
162.03146	3.0
163.03914	7.2
164.04723	0.8
165.05501	36.2
167.07071	16.2
177.05489	19.0
186.99330	0.8
188.10028	0.8
195.06540	11.9
208.64461	0.7
213.07576	6.4
225.30473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03949	4.4
54.02158	1.4
55.01868	3.3
55.05510	17.5
57.03435	7.0
57.07063	5.8
59.04982	2.6
67.05505	27.2
69.03424	6.2
69.07069	19.4
71.04998	15.6
71.08855	1.8
77.03933	2.2
78.46454	1.5
79.05494	34.4
81.03394	3.9
81.07057	49.4
83.04970	7.0
83.08602	6.5
85.06511	4.8
87.00456	1.4
91.05482	31.0
93.07047	73.4
95.04989	8.5
95.08609	57.5
97.06522	6.4
97.10153	2.9
99.08079	3.4
103.05461	5.4
105.07036	58.6
106.04163	2.3
107.04972	1.8
107.08602	38.7
109.06515	6.4
109.10161	41.5
111.08082	17.5
117.07013	2.3
118.04150	1.6
119.04939	4.2
119.08586	100.0
121.06496	4.9
121.10149	94.8
123.03602	1.6
123.04439	23.7
123.08081	17.8
123.11684	18.8
125.09612	6.3
133.06526	4.1
133.10133	58.4
135.11693	65.9
137.05986	3.5
137.09616	45.1
137.13239	2.1
139.11182	5.9
144.45770	1.4
145.10106	2.9
147.04424	2.5
147.11714	13.7
149.05981	10.2
149.13271	6.4
150.06783	1.6
151.03914	2.4
151.07559	12.5
151.11212	1.7
151.14783	2.5
155.10661	1.4
161.05949	1.6
165.05534	1.7
165.09157	1.9
165.12788	3.2
165.16335	2.0
166.06190	2.7
167.07042	57.2
169.10144	2.1
175.14822	95.6
176.15128	2.2
179.07056	32.6
181.08597	7.4
193.08591	7.0
193.12238	2.5
193.14220	2.9
193.15886	38.8
196.12517	2.4
211.07695	2.1
211.09628	5.5
211.14838	5.5
211.16924	11.4
223.98558	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03942	3.1
55.01871	2.6
55.05518	18.8
57.03447	7.4
57.07067	4.1
59.04998	1.4
65.03939	1.7
67.05509	31.2
69.03429	2.7
69.06738	1.5
69.07073	16.9
69.48181	1.5
70.82504	2.6
70.82823	2.4
71.04989	7.1
71.08654	2.2
79.05505	11.3
79.70563	1.3
81.03410	2.5
81.07059	33.1
81.61546	1.3
83.04990	8.4
83.08611	11.7
85.06535	8.1
87.41834	1.4
91.05506	8.6
93.07053	25.9
95.04962	3.3
95.08613	60.0
97.06532	9.2
97.10176	4.5
99.08095	2.9
105.07034	15.8
105.96315	1.6
107.08598	30.5
109.06534	10.9
109.10160	100.0
111.08088	42.7
113.05986	3.7
114.27386	1.5
117.07085	1.7
119.08585	46.7
121.10143	27.0
122.07292	1.6
123.04459	6.3
123.08067	49.4
123.11720	17.3
125.09635	7.9
127.11177	2.7
129.52872	1.4
131.08638	2.2
133.10139	45.1
135.11694	42.8
137.09622	98.4
137.13266	4.5
138.10390	11.7
139.11186	3.1
142.82439	1.6
145.10088	1.6
147.11711	7.8
149.05986	1.4
149.13283	14.0
149.14424	2.2
151.07562	5.6
151.11211	4.5
151.14789	11.6
163.11241	4.3
165.12776	11.9
165.16423	3.8
165.45464	1.3
167.07040	5.7
175.10944	1.6
175.14830	51.0
178.13644	1.8
179.07033	11.4
185.82028	1.5
193.08636	1.4
193.15880	30.3
193.17484	2.7
196.21544	1.5
211.09615	2.1
211.16917	27.4
223.19650	1.5
224.80925	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03947	2.3
55.05517	16.8
57.03426	1.7
57.07073	4.2
59.05013	1.6
65.01117	1.1
65.03949	2.2
67.05512	35.6
68.30997	1.2
68.99118	1.1
69.03436	12.6
69.07081	18.7
69.86377	4.4
71.04987	5.8
72.70594	1.1
79.05492	8.9
81.03440	1.5
81.07068	33.2
83.04984	12.6
83.08632	10.8
84.52532	1.2
85.06560	4.0
91.05495	8.4
93.07050	18.0
95.04971	4.1
95.08616	55.7
97.10165	2.9
98.21589	1.8
99.08102	4.7
103.05483	3.0
105.07046	14.7
107.08605	28.2
109.06529	15.6
109.10168	100.0
111.08086	4.8
113.05926	1.4
113.09650	1.4
117.07071	1.8
119.04988	2.5
119.08596	27.7
121.06508	1.7
121.10175	16.0
123.04429	16.7
123.08080	16.3
123.11713	11.6
125.09631	5.5
133.06537	3.1
133.10152	21.9
135.08133	1.5
135.11708	67.5
137.09642	19.1
139.11180	1.8
145.10095	1.6
147.04448	1.8
147.11720	5.3
149.06003	2.3
149.13284	6.3
151.07555	7.0
151.11198	13.1
151.14836	11.2
153.12698	3.5
163.11273	3.3
165.09120	1.4
165.16438	2.4
167.07063	6.2
169.10103	1.8
175.11191	3.9
175.14848	23.4
179.07057	32.3
181.08493	1.3
193.08559	3.4
193.12123	1.3
193.15903	19.2
211.09685	4.3
211.14999	2.9
211.16977	7.5
216.23717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.55367	1.8
53.02016	2.2
53.03949	4.6
55.01882	3.1
55.05515	20.5
57.03427	4.7
57.07078	2.4
65.42559	2.2
67.05513	36.3
69.03432	19.3
69.07073	24.0
69.42879	15.8
69.49010	2.4
71.04995	13.3
75.66831	2.0
78.04702	2.6
79.05486	12.4
81.03415	6.8
81.07059	35.7
83.04990	17.9
83.08616	12.0
85.06534	6.8
91.05484	17.1
93.07059	21.3
95.04972	23.3
95.08614	53.5
97.06535	2.5
97.10155	6.1
98.21583	4.1
99.04475	11.8
99.08076	9.6
105.04472	2.2
105.07050	15.8
107.08599	30.8
109.06525	16.3
109.10163	100.0
111.08086	6.9
113.09623	2.5
119.06064	5.6
119.08593	26.8
121.06522	7.1
121.10154	19.3
123.04417	8.3
123.08079	20.8
123.11772	11.2
125.09657	24.2
133.06461	4.4
133.10150	28.3
135.08151	3.1
135.10722	4.0
135.11707	56.0
137.02396	2.0
137.06018	4.4
137.09621	26.1
140.04720	2.5
141.41920	2.1
147.11723	3.3
149.05998	6.7
149.13307	9.9
151.07541	3.3
151.11217	13.9
151.14835	12.8
153.12732	2.5
155.10635	2.6
165.05537	3.4
165.16359	4.7
167.07042	34.2
168.05692	2.6
169.12199	2.9
175.14842	25.7
179.07054	4.1
181.08569	5.5
182.03828	2.1
193.08670	2.6
193.12195	2.5
193.15892	22.8
211.07555	9.0
211.09531	3.8
211.14958	2.8
211.16913	5.0
212.11804	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02378	1.6
51.29532	0.9
53.03946	5.8
55.01875	5.6
55.05513	48.9
57.03444	6.5
57.07088	1.4
59.04986	1.3
64.04811	1.0
65.03943	2.4
67.05511	33.1
69.03436	11.9
69.07071	12.0
69.57497	6.6
71.04635	1.0
71.04985	5.8
79.05499	34.8
81.03421	100.0
81.07056	45.0
83.04984	50.4
83.08618	32.4
85.02921	1.3
85.06554	4.3
91.05483	39.8
93.07050	24.7
95.04975	35.8
95.05579	1.9
95.08613	18.7
97.02885	3.1
97.06520	7.1
97.10175	7.7
98.28876	1.1
98.98469	1.2
99.04447	2.6
99.08112	2.4
103.05485	2.0
105.04519	1.4
105.07033	30.4
106.94012	0.9
107.04974	6.7
107.08595	12.1
109.06549	6.9
109.10152	7.0
111.04450	4.4
111.08079	13.7
113.06039	1.0
115.05442	2.9
117.07069	1.8
119.04930	1.2
119.08589	30.5
121.06507	4.3
121.10148	23.0
123.04440	5.5
123.08080	4.7
123.11749	2.8
125.09642	3.6
129.07010	12.9
131.08577	11.3
133.06519	4.6
133.10138	17.9
135.11696	6.7
137.05963	1.6
137.09622	5.1
141.06984	1.7
142.07785	3.9
145.10161	2.8
147.08063	4.1
147.11688	15.4
149.05995	1.1
149.09634	7.8
151.07568	2.3
151.11165	1.6
154.07806	1.4
155.08525	3.5
157.10133	17.2
163.11261	1.5
163.97697	1.6
165.12766	4.2
167.07066	24.2
167.08447	1.9
169.10149	8.0
175.11194	16.3
175.14839	7.9
179.07066	4.4
181.08649	1.8
181.10098	2.9
182.10945	1.4
183.07895	1.0
183.11708	3.4
193.08595	1.5
193.12250	34.1
193.15868	2.1
196.12505	4.3
199.56961	1.0
205.98773	1.4
211.07593	2.3
211.09500	2.3
211.11253	3.0
211.13284	15.6
211.14894	11.1
211.16859	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.40472	3.5
51.17072	3.3
51.23154	3.3
55.01867	11.4
55.05521	17.5
57.03425	6.6
67.05185	4.7
67.05515	48.8
69.03452	3.5
69.07073	23.8
70.43958	5.2
70.44319	12.9
71.04991	5.8
79.05501	40.6
81.03420	16.6
81.07064	100.0
83.04990	17.1
83.08620	12.2
85.06544	7.7
91.05485	72.1
93.07048	26.0
95.04964	15.0
95.08617	26.5
97.02953	3.7
97.06558	17.6
99.08081	5.5
105.07043	55.1
107.08597	15.5
109.06512	12.0
109.10159	4.1
111.04423	4.6
113.06010	4.4
119.08592	49.0
121.10159	25.0
123.04404	5.6
123.08057	6.2
123.11683	23.3
129.07036	12.5
131.08563	13.9
133.06589	5.5
133.10149	48.6
147.11702	89.5
149.09608	10.7
155.08572	6.0
157.10127	27.4
165.12784	28.3
167.07089	26.3
169.10220	19.7
175.11214	27.8
175.28513	3.9
179.07077	5.1
181.10188	6.1
183.11717	4.9
184.09355	3.6
188.25995	3.5
193.12245	22.7
196.12489	7.9
210.07877	3.3
211.11464	5.5
211.13196	12.8
211.14925	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
50.56997	0.8
53.03939	3.3
55.01867	4.8
55.05512	19.1
56.05470	0.7
56.22347	0.7
57.03428	4.3
59.04992	1.1
65.03921	1.7
67.05504	17.0
69.03432	6.0
69.07072	6.1
69.30380	3.4
69.30813	3.6
71.04974	3.7
77.03932	1.1
78.04694	3.1
79.05499	20.9
81.03420	43.9
81.06603	1.2
81.07058	20.7
83.04498	1.5
83.04983	21.4
83.08623	16.0
85.02872	1.0
85.06533	2.1
91.05481	21.1
93.07043	10.5
95.04390	1.1
95.04970	16.3
95.08604	10.6
97.02888	1.8
97.06524	2.0
97.10148	3.1
98.20834	1.7
103.05456	3.4
105.07036	20.9
106.04173	2.5
107.04987	5.9
107.05606	1.4
107.08582	6.0
109.02850	1.0
109.06519	3.8
109.10148	3.2
111.04466	1.2
111.08076	5.7
111.33933	0.8
115.05453	2.8
118.04183	1.4
119.04948	3.0
119.08584	10.2
121.02848	1.4
121.06514	2.8
121.10130	5.3
123.04427	29.4
123.08058	4.8
123.11705	2.7
124.05202	3.0
125.09628	1.2
127.40513	0.8
129.06958	4.9
131.08563	5.5
133.06479	7.8
133.10124	8.5
134.03630	1.3
135.08058	1.0
135.11653	2.2
137.05984	2.7
137.09605	2.6
139.11188	3.2
142.07806	2.6
147.04440	2.1
147.08046	1.8
147.11665	9.3
149.05942	4.3
149.09602	3.6
150.06740	2.2
151.03918	3.0
151.06503	0.8
151.07558	11.7
152.04689	2.2
152.06033	1.3
153.06996	2.2
155.08517	3.1
156.35786	0.8
157.10147	6.8
161.05975	1.6
162.69588	0.9
165.09120	2.0
165.12730	1.5
167.07042	100.0
168.09357	3.1
169.10094	1.8
170.11824	1.0
175.11185	8.9
175.14841	2.5
178.07774	1.5
179.07036	38.9
181.06467	2.3
181.08571	2.6
181.10010	1.1
183.11703	4.9
186.00807	0.8
193.08632	6.4
193.10258	1.6
193.12225	18.2
193.15886	1.7
195.08070	1.1
196.08817	6.7
196.12378	0.9
211.07500	3.5
211.09557	4.5
211.11203	12.3
211.13268	5.0
211.14879	3.0
211.16852	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03943	5.2
55.01880	6.2
55.05517	28.4
57.03439	6.5
57.07067	1.6
57.55037	0.7
58.57141	0.6
59.04993	1.2
65.03941	2.3
66.04714	0.9
66.44634	0.7
67.05510	25.5
69.03436	6.2
69.07072	10.0
69.80697	2.7
69.81120	1.4
71.04994	5.0
77.03925	1.4
78.04726	3.3
79.05502	27.3
81.03425	57.3
81.07061	34.2
83.04992	30.7
83.08624	20.6
85.02900	1.5
85.06516	4.0
91.05487	33.3
93.03421	1.4
93.06494	1.5
93.07053	23.5
93.07641	1.4
95.04973	27.5
95.08613	20.3
96.87337	0.6
97.02927	1.7
97.06519	4.5
97.10175	5.1
99.08092	2.0
103.05482	9.6
105.03432	1.1
105.04509	1.3
105.07038	31.5
106.04192	3.9
107.04447	0.7
107.04984	7.6
107.08609	10.1
109.06508	7.0
109.10168	14.5
110.03630	1.1
111.04442	1.8
111.08099	11.7
113.05990	1.3
115.05460	2.3
117.07001	1.9
118.04157	3.4
119.04948	4.7
119.07710	1.1
119.08585	21.2
120.05714	1.2
121.06519	14.2
121.10147	11.2
122.03661	1.0
122.07312	0.8
123.04444	27.4
123.08060	8.5
123.11711	5.2
124.05190	2.5
125.05998	1.0
125.09639	3.2
127.07531	1.3
128.06155	0.9
129.07024	7.0
131.04961	0.9
131.06032	0.8
131.08580	6.8
133.06502	11.6
133.10133	14.5
134.03671	1.0
135.04446	1.1
135.08035	1.5
135.11700	7.9
137.05974	5.4
137.09628	12.1
137.13286	1.3
139.07605	1.0
142.07782	2.5
145.10153	1.6
147.04401	1.4
147.08012	2.0
147.11684	13.4
149.05994	21.0
149.09584	4.7
149.13284	1.8
150.06783	3.5
151.03923	12.1
151.07547	9.2
151.11163	1.2
151.14824	1.6
152.04747	2.2
155.06883	0.8
155.08566	1.0
157.10136	7.9
161.05994	4.3
161.07167	1.0
165.05457	3.3
165.09149	3.8
165.12753	3.6
166.06276	5.8
167.07053	100.0
168.05713	1.0
168.07372	1.2
169.10184	2.0
175.11240	11.7
175.14835	9.1
179.07047	32.4
180.07762	2.1
181.08614	19.7
181.10138	1.0
193.08627	12.5
193.12270	21.4
193.14200	1.1
193.15828	6.3
196.12411	1.1
205.98650	0.8
209.20039	0.7
211.07600	2.0
211.09683	6.9
211.13153	8.8
211.14909	2.3
211.16924	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03949	8.2
55.01875	7.2
55.05514	39.4
57.03440	8.0
57.07065	5.0
59.05000	1.9
67.05512	33.4
69.03444	10.1
69.07071	10.1
71.04986	6.2
71.08620	2.7
76.16241	1.2
77.83457	1.3
79.05073	2.3
79.05500	29.4
81.03424	100.0
81.07063	36.7
82.63777	1.6
83.04503	2.9
83.04990	51.4
83.08161	2.4
83.08627	30.3
89.38987	1.4
91.04927	2.1
91.05489	34.3
93.07063	15.9
95.04972	33.4
95.08607	17.5
97.02890	3.9
97.06535	3.2
97.10168	10.0
98.98415	1.4
99.08094	3.0
105.04506	1.9
105.07044	24.3
107.04939	5.9
107.08618	8.2
109.06539	7.2
109.10144	4.4
111.04475	2.9
111.08125	8.0
115.05473	2.1
117.07026	2.4
117.68317	1.4
119.08590	20.7
121.06556	1.6
121.10165	8.1
123.08041	4.2
129.07034	11.5
131.08603	11.8
133.06445	3.7
133.10153	10.4
137.09596	3.9
142.07813	4.2
145.96649	2.8
147.08078	2.8
147.11687	12.5
149.09619	4.9
155.08589	2.3
157.10130	14.9
163.97733	4.4
165.12743	3.7
169.10150	5.0
175.11194	16.1
181.10197	1.8
193.12262	31.1
196.12469	1.7
205.98772	5.8
211.13101	12.0
211.14848	7.7
211.16637	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	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.81441	0.8
53.03957	5.6
55.01878	6.7
55.05514	42.8
57.03436	9.6
57.07058	1.0
59.05008	1.4
60.28543	1.0
65.03940	1.9
67.05511	29.3
69.03430	9.7
69.07072	10.8
69.54874	5.8
71.04987	6.0
79.05495	32.0
81.03421	100.0
81.07059	39.0
83.04984	50.9
83.08622	31.9
85.02930	1.5
85.06540	3.4
91.05487	35.0
93.07045	19.0
95.04976	33.1
95.08611	11.7
97.02917	3.1
97.06530	4.7
97.10175	10.5
99.08125	1.9
103.05495	1.7
105.07034	26.2
107.04964	9.1
107.08606	8.1
109.06536	5.6
109.10164	2.7
111.04478	3.5
111.08094	11.4
115.05464	1.6
117.07026	1.6
119.05023	1.2
119.08590	19.5
121.06511	2.0
121.10169	9.0
123.08096	2.8
123.11754	1.1
125.09620	2.4
127.31937	0.8
129.07010	14.3
131.08571	12.9
133.06503	4.3
133.10130	11.4
137.09615	2.0
142.07793	3.5
145.10107	1.7
145.96619	1.0
147.08061	3.4
147.11687	13.9
149.09654	7.1
155.08537	1.9
157.10143	18.6
163.97815	1.1
165.12773	2.2
167.08595	1.2
169.10152	1.6
175.11186	17.5
193.12248	35.7
196.12491	1.7
205.98798	2.4
211.11319	1.0
211.13307	17.1
211.14877	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02379	1.1
53.03942	5.0
55.01881	6.7
55.05515	42.1
57.03438	9.9
57.07065	1.5
58.52861	1.0
67.05511	32.7
69.03434	10.8
69.07069	11.0
69.42606	9.8
71.04993	7.1
74.12682	1.1
79.05501	33.1
79.05966	1.7
81.03425	100.0
81.06601	2.5
81.07063	40.2
83.04501	2.6
83.04988	50.9
83.08624	33.5
85.02892	1.2
85.06543	2.4
91.05495	35.7
93.07055	20.2
94.01436	1.2
95.04979	33.2
95.08616	13.9
95.13857	1.1
97.02888	4.1
97.06535	5.8
97.10160	7.5
99.08085	1.9
105.07039	24.9
107.04964	8.1
107.08618	9.5
109.06555	5.9
109.10154	3.3
111.04446	3.8
111.08074	12.7
113.06010	1.4
115.05457	2.5
117.06983	2.2
119.04975	2.1
119.08602	18.9
121.06512	1.8
121.10149	8.9
123.08044	2.6
123.11715	1.8
128.06252	1.6
129.07025	11.8
131.08589	12.0
133.06516	2.6
133.10133	10.9
137.09647	2.2
142.07787	2.6
145.10222	1.5
145.96667	1.9
147.08049	3.2
147.11705	15.8
149.09596	6.4
155.08563	3.2
157.10133	16.2
163.97679	2.7
165.12773	2.5
167.07001	1.7
169.10153	5.7
175.11206	15.8
179.07117	2.3
181.10147	3.2
193.12259	35.2
196.12466	3.9
205.98849	3.0
211.07591	1.2
211.11292	2.5
211.13129	14.5
211.15149	6.5
211.16643	2.1
216.37750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.01591	1.3
53.03945	5.8
53.22775	1.3
55.01873	4.4
55.05517	40.7
56.74569	1.3
56.96561	1.8
57.03434	7.7
57.07069	1.6
59.04984	1.9
65.03949	1.2
66.16201	1.2
67.05513	28.4
69.03431	8.9
69.07073	11.2
71.04998	5.5
71.50188	1.5
71.50589	2.1
73.73003	1.1
77.70610	1.5
78.66683	1.1
79.05072	2.2
79.05499	29.5
81.03427	100.0
81.07063	39.0
83.04989	46.3
83.08621	33.9
85.02905	2.4
85.06556	3.6
91.05493	37.3
93.07058	19.5
95.04980	31.4
95.08609	13.7
97.02903	4.4
97.06544	4.9
97.10167	7.9
98.98451	1.2
105.07037	28.4
107.04997	7.8
107.08610	8.6
109.06551	6.1
109.10164	4.1
111.04453	3.1
111.08112	11.7
115.05479	2.7
117.07033	2.0
118.39450	1.1
119.04987	1.9
119.07821	1.6
119.08603	20.0
119.95774	1.3
121.06548	2.4
121.10146	9.1
121.80123	1.1
123.08065	5.1
123.11715	2.9
125.09638	1.9
129.07028	11.3
131.08574	13.6
133.06512	3.6
133.10139	13.7
137.09602	2.7
141.06995	2.5
142.07796	3.8
143.08574	1.7
145.10139	1.9
145.96634	1.4
147.08041	4.2
147.11684	18.7
149.09628	7.3
151.07507	1.4
153.06982	1.7
154.07808	2.5
155.08578	6.6
157.10149	15.0
163.11203	2.0
163.97667	2.1
165.12741	2.2
167.07022	1.8
167.08525	1.6
168.09349	1.9
169.10132	13.8
175.11205	18.0
179.07057	1.5
181.10147	6.7
182.10916	3.3
183.11719	3.3
190.74625	1.2
190.87595	1.1
193.12251	33.9
196.12460	6.4
205.98782	4.5
211.07471	2.3
211.11212	1.8
211.13249	13.3
211.14857	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03951	3.6
55.01864	2.7
55.05497	3.1
57.03428	1.9
57.07052	1.1
58.51797	0.7
65.03936	1.1
67.05509	8.8
69.03419	2.7
69.07069	3.6
71.04953	2.0
71.05296	1.0
74.85840	0.6
78.04707	4.1
79.05497	10.8
81.03436	3.4
81.07050	8.8
83.04968	2.9
83.08618	3.2
85.02929	0.8
85.06552	1.0
91.05489	19.3
93.03416	0.9
93.07054	14.0
95.04977	7.1
95.08600	6.9
97.06522	1.9
99.04478	0.9
99.08073	1.6
103.05477	13.4
104.06245	0.9
105.03402	1.4
105.04514	1.1
105.07042	20.4
106.04195	3.3
107.04962	4.2
107.08601	4.0
108.05730	0.9
109.02934	1.3
109.06523	4.3
109.10168	12.5
110.03654	1.0
111.04454	1.2
111.08067	2.2
115.05428	1.9
118.04173	6.4
119.04945	5.6
119.08556	4.2
120.05708	1.3
121.06511	18.8
121.10131	2.4
122.03661	1.0
122.07317	0.8
123.04438	28.1
123.08066	6.4
123.11703	2.9
124.05247	4.2
125.05973	1.1
125.09627	2.4
129.07036	0.8
131.06030	0.7
133.06499	12.3
133.10149	3.9
134.07217	1.1
135.04414	2.0
135.08070	1.6
135.11720	7.6
136.05205	0.9
137.06004	6.4
137.09616	2.8
140.07146	0.8
146.03613	1.2
147.04419	3.0
147.11678	2.7
149.05997	30.2
149.09669	0.8
149.13252	0.7
150.06760	6.4
151.03922	4.2
151.06459	1.3
151.07555	13.4
151.11150	1.6
151.14838	1.2
152.04689	1.8
153.05470	1.0
155.03365	1.7
155.08549	1.4
157.10197	0.8
161.05980	4.4
161.07156	1.4
163.11287	1.0
165.05508	1.6
165.07048	1.3
165.09142	6.5
165.12851	0.9
166.06268	6.3
167.07048	100.0
169.10123	1.9
175.11136	1.2
175.14769	3.4
179.07045	41.0
180.07784	1.9
181.08614	22.3
181.10088	1.3
183.11742	1.4
192.99280	0.7
193.04816	0.7
193.08620	17.5
193.12260	1.7
193.15933	2.2
196.12439	1.0
211.05807	0.8
211.07658	1.9
211.09619	11.4
211.13013	1.1
211.14850	3.8
211.16948	2.5
211.20680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01861	1.9
55.05518	5.5
57.03431	3.2
57.07072	1.2
62.74462	0.6
64.02316	0.6
67.05511	5.8
69.03426	2.0
69.07072	4.3
69.61993	1.6
69.62419	2.1
71.04988	2.6
78.04704	3.7
79.05496	6.5
81.03427	7.9
81.07064	10.6
83.04985	5.0
83.08621	4.2
85.06553	1.3
91.05490	10.3
93.03393	0.8
93.07046	5.7
95.04981	5.8
95.08615	5.7
97.02846	0.7
97.06529	1.5
97.10144	0.7
99.04443	0.7
99.08118	1.2
103.05460	2.3
105.03387	1.0
105.07029	8.1
106.04189	2.2
107.04961	1.8
107.08588	3.4
109.06557	3.2
109.10165	6.1
110.06841	0.9
111.04496	0.6
111.08066	2.1
115.05447	1.4
119.04974	1.6
119.08610	5.2
121.06503	4.4
121.10151	2.9
122.03577	0.8
123.04437	13.4
123.08084	2.5
123.11706	2.3
124.05247	3.4
129.06984	1.7
131.08565	1.6
133.06445	2.9
133.10155	2.9
134.03662	0.8
135.08034	1.0
135.11728	3.5
137.05962	3.1
137.09605	1.6
141.06996	1.4
142.07796	0.8
143.08635	0.6
147.04416	0.8
147.11719	4.4
149.05966	6.4
149.13347	0.9
151.03935	3.8
151.06540	0.8
151.07562	4.2
151.11176	1.3
152.04686	2.5
153.07022	0.6
155.07271	0.7
155.08534	3.2
157.10098	1.9
159.73375	0.6
161.05974	1.4
163.97740	1.2
165.05490	1.0
165.06944	1.4
165.09123	1.3
165.12737	1.6
166.06310	1.6
167.07051	100.0
168.05710	1.2
168.07324	1.1
169.10124	6.2
175.11246	2.1
175.14842	1.7
179.05693	1.0
179.07069	11.5
181.08606	3.9
181.10149	2.3
182.10893	1.0
183.08121	0.7
183.11740	2.3
193.04871	1.0
193.08621	4.1
193.10184	0.5
193.12294	3.8
193.15903	1.3
194.68300	0.6
196.05109	1.3
196.08824	1.1
196.12485	3.1
205.98773	1.3
211.05943	0.9
211.07700	5.3
211.09604	1.6
211.11229	2.1
211.13048	1.1
211.14902	8.6
211.16901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.02374	0.4
53.03952	0.6
55.01860	0.8
55.05513	1.8
56.10003	0.2
57.03440	0.7
57.07061	0.4
65.03960	0.3
67.05507	2.3
68.99783	0.3
69.03425	0.6
69.07066	0.7
69.63658	1.8
70.25600	0.2
71.04981	0.6
73.33317	0.3
77.03920	0.4
78.04716	3.0
79.05064	0.4
79.05495	2.8
81.03421	2.0
81.07058	3.5
83.04995	1.3
83.08609	1.1
85.06534	0.5
91.05482	3.4
93.03400	0.3
93.07059	2.1
95.04979	2.1
95.08598	1.3
97.06492	0.5
97.10143	0.3
103.05444	1.1
105.04530	0.3
105.07030	4.1
106.04185	2.1
107.04952	1.2
107.08572	0.8
109.02906	0.3
109.06548	0.7
109.10156	0.6
111.08136	0.5
118.04141	0.6
119.04969	0.7
119.08569	2.1
121.02876	0.3
121.06510	1.7
121.10129	1.5
122.03667	0.6
123.04431	12.2
123.08076	1.0
123.11700	1.0
124.05241	2.2
129.06934	0.4
131.08589	0.4
133.06473	1.7
133.10123	1.0
134.03632	0.5
135.04378	0.6
135.11720	0.6
137.05975	1.2
137.09604	0.6
147.04407	0.6
147.08060	0.3
147.11681	2.0
149.02364	0.3
149.05997	2.4
150.03107	0.3
150.06732	0.9
151.03914	1.7
151.06593	0.3
151.07558	3.0
152.04698	1.7
154.65889	0.3
157.10138	0.5
159.51907	0.3
161.05981	0.8
161.07167	0.4
165.09146	0.6
166.06238	1.0
167.07042	100.0
168.07372	0.7
169.10118	0.6
175.11157	0.9
175.14832	1.0
179.07042	10.0
181.08620	1.9
183.11691	0.5
193.08586	3.6
193.10172	0.4
193.12300	0.9
196.08818	0.3
198.52284	0.3
208.42039	0.4
211.07722	0.5
211.09657	2.1
211.11391	0.4
211.13033	0.3
211.14844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.93120	0.6
53.03942	1.5
55.01882	2.7
55.05521	4.5
57.03439	3.1
65.03926	1.1
67.05515	5.9
68.99781	0.9
69.03439	1.0
69.07060	2.1
69.84325	2.8
71.04986	1.1
76.01755	0.5
77.03901	0.7
77.49641	0.5
78.04727	4.2
79.05079	0.6
79.05508	7.7
81.02998	0.9
81.03428	10.2
81.07058	5.7
83.04983	5.3
83.08631	4.6
90.04701	0.5
91.05487	11.2
93.03385	1.0
93.07059	5.5
95.04983	8.1
95.08632	3.4
96.05770	0.7
97.06522	0.9
99.74326	0.5
103.05473	4.4
105.03391	1.2
105.04526	0.6
105.07048	13.8
106.04174	3.2
107.04980	3.1
107.08596	1.5
108.05744	0.9
109.02901	1.3
109.06545	2.5
109.10160	1.3
110.03668	1.6
111.04463	0.8
111.08085	1.2
115.05476	0.9
118.04173	2.8
119.04955	4.2
119.08585	3.1
120.05695	0.9
121.02902	1.4
121.06541	3.0
121.10147	1.5
122.07293	1.0
123.04443	36.7
123.08039	3.1
123.11683	0.8
124.05226	2.1
125.06028	0.7
127.03871	0.5
129.07021	1.1
131.08591	1.1
133.06519	7.3
133.10110	1.5
134.03641	0.7
135.04404	1.2
135.08083	1.5
135.11699	0.5
136.05219	1.2
137.06000	3.2
137.09598	1.1
147.04436	3.4
147.11688	2.1
148.05223	0.5
149.05984	4.9
149.09688	0.9
150.06773	3.9
151.03932	3.7
151.07555	17.6
151.11198	0.5
152.04686	2.5
155.08582	1.6
157.10121	1.6
161.05992	1.7
161.07140	1.4
165.05556	0.7
165.09171	3.7
165.12852	0.7
167.07056	100.0
168.05774	1.2
168.07390	0.9
168.09204	0.5
169.10123	2.1
172.63849	0.5
175.11234	1.4
179.07056	56.7
180.07581	1.2
181.06599	0.6
181.08611	2.5
181.10100	1.0
183.11819	0.5
184.75879	0.6
193.08621	10.3
193.12283	3.3
196.05244	0.9
196.12532	1.6
211.07574	4.0
211.09673	8.5
211.11497	1.0
211.13194	1.2
211.14970	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	211.0966
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.10176	0.7
53.03938	1.9
55.01864	2.3
55.05518	4.2
57.03426	1.9
57.07063	0.7
65.03922	2.4
67.05509	8.3
69.03426	1.6
69.07057	2.9
69.28079	2.7
69.28510	3.2
71.04987	1.2
77.03916	1.4
79.05503	8.7
81.03401	2.4
81.07055	7.7
83.04968	2.7
83.08620	3.3
85.06531	1.3
88.77967	0.6
91.05490	13.5
93.07041	4.7
94.04213	1.0
95.04976	9.1
95.08610	11.3
97.06516	2.0
97.10176	1.3
103.05476	4.8
105.07035	18.1
107.04945	4.0
107.08578	4.2
109.02879	0.9
109.06521	3.6
109.10165	14.8
110.03638	1.9
111.08096	6.3
113.06015	0.8
115.05453	1.2
118.04187	5.8
119.04948	9.0
119.08593	7.2
120.05756	1.6
121.02857	1.1
121.03948	0.8
121.06474	3.9
121.10146	4.9
122.03633	0.7
122.07254	1.6
123.04436	50.1
123.08070	12.8
123.11696	2.9
124.05239	1.1
125.05982	0.9
125.09632	1.4
127.11178	0.9
131.04930	0.9
133.06502	11.6
133.10120	6.4
135.04398	2.1
135.08058	2.0
135.11702	8.6
136.05206	1.1
137.05972	4.2
137.09624	15.8
138.10393	1.4
139.11125	0.8
147.04433	5.3
147.11720	2.0
149.06000	4.6
149.13239	1.9
150.06773	6.0
151.03928	5.5
151.07552	26.4
151.11197	0.9
151.14848	1.1
152.04567	0.9
161.05978	2.1
161.07118	2.2
163.11200	0.9
165.09126	6.7
165.12784	1.9
167.07065	15.0
169.10110	0.7
175.14864	7.4
179.07040	100.0
180.07564	1.3
181.08559	2.2
193.08621	15.7
193.12262	1.1
193.15927	4.8
196.68979	0.6
211.07658	1.8
211.09615	13.3
211.15036	1.3
211.16949	3.2
211.18791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03953	3.1
55.01870	1.3
55.05513	4.8
56.07462	0.5
57.03439	0.8
57.07065	1.4
59.04989	0.7
65.03938	0.7
67.05513	6.3
67.34681	0.5
69.03426	1.9
69.07069	5.8
70.74458	1.3
71.04675	0.4
71.05009	3.7
77.03936	1.1
78.04720	3.3
79.05499	4.9
81.03399	1.3
81.07068	7.0
83.04990	2.4
83.08610	2.7
85.02905	0.5
85.06561	2.9
91.05486	20.1
92.69177	0.5
93.07050	17.9
94.07329	0.5
95.04974	12.4
95.08618	4.5
97.06551	1.3
99.04429	1.7
99.08101	6.3
103.05481	10.0
105.03362	0.6
105.04531	1.5
105.07045	11.5
106.04184	3.0
107.04935	1.9
107.08604	4.0
109.02851	0.5
109.06530	5.8
109.10153	5.5
111.08073	1.4
113.05980	1.0
115.05447	1.0
119.04938	1.1
119.08602	3.8
121.06512	18.9
121.10157	1.7
123.04440	9.3
123.08070	0.7
123.11720	1.5
124.05227	2.8
125.09621	2.6
126.09953	0.5
127.07571	0.8
131.06056	1.0
131.08557	1.8
133.06494	3.4
133.10141	24.1
135.04375	0.8
135.11707	2.0
137.06003	4.1
137.09601	3.6
147.11703	5.3
149.05991	31.3
149.13290	0.6
151.03958	2.8
151.07555	1.8
151.11200	13.5
152.04663	1.8
155.07079	4.4
155.09612	0.5
155.10637	2.5
157.10144	0.6
161.05984	4.8
165.05492	1.9
165.12784	1.4
166.06271	6.7
167.07050	100.0
168.07417	0.8
168.88757	0.5
169.14951	0.6
175.11244	2.9
175.14856	1.1
180.07782	2.3
181.08604	26.9
193.08549	1.5
193.12289	4.5
193.15921	1.6
211.07756	1.1
211.09711	3.6
211.13220	4.0
211.17149	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	3.0
55.01863	4.0
55.05513	69.1
55.87202	1.2
57.07061	4.6
59.04997	5.1
65.03963	1.8
67.05487	6.2
69.03409	6.4
69.06734	1.6
69.07048	8.5
70.33097	4.1
70.33453	1.9
71.04974	3.4
76.46001	1.5
78.76993	1.3
79.05484	5.4
81.07059	15.7
83.04983	100.0
83.08620	36.4
85.06516	4.0
89.06021	1.5
91.05479	8.6
93.06498	1.7
93.07050	20.6
95.04967	23.3
95.08609	10.2
97.06541	8.9
97.10194	9.4
99.04445	5.2
99.08083	1.5
102.39745	1.3
103.05451	2.4
105.07050	7.2
106.04153	2.0
107.04939	3.1
107.08601	28.3
109.06522	20.6
109.10155	21.9
111.05564	1.6
111.08096	11.5
113.09632	2.6
119.08565	4.9
121.06490	5.2
121.10147	36.9
123.08073	4.1
123.11717	12.2
125.06053	2.4
125.09644	11.9
131.04939	3.6
131.08589	2.3
133.10110	6.8
135.08047	4.9
135.11639	1.9
137.09584	1.8
145.10121	3.9
147.04333	1.8
148.05121	2.1
148.09744	1.5
149.05954	4.5
149.09628	3.7
149.13292	8.9
151.11188	35.0
153.09146	10.7
159.04416	1.9
163.03865	2.6
163.07426	1.9
163.14795	6.0
167.14330	74.2
173.13272	5.3
177.05449	6.3
191.14320	7.9
194.15663	1.6
209.08073	4.4
209.15370	36.7
218.13095	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	6.0
53.77799	3.9
55.01871	13.1
55.05515	61.6
57.03438	9.3
57.07069	7.4
59.05005	7.8
67.05508	19.5
69.03429	17.1
69.07072	29.8
69.78962	7.0
69.79368	11.7
71.04998	15.9
79.05499	22.1
81.07081	33.3
83.04988	91.5
83.08623	27.5
85.06541	7.4
90.87355	3.9
91.05486	31.1
93.07049	52.1
95.04967	52.8
95.08616	28.8
97.06535	19.9
97.10190	14.5
98.87344	4.6
99.04466	11.7
99.08102	8.9
103.05476	7.7
105.07058	25.3
106.04187	12.3
107.04931	9.4
107.05654	3.7
107.08604	75.6
109.06528	96.1
109.10172	37.0
111.08094	17.4
113.06005	5.1
119.08576	13.6
121.06511	20.2
121.10159	67.5
123.08083	15.7
123.11722	22.4
125.06032	7.9
125.09631	45.5
127.07540	4.6
131.04950	8.1
131.08574	15.2
133.10130	49.1
135.08035	31.5
135.11691	10.9
137.09618	12.3
139.07550	14.4
139.11179	7.9
145.10152	11.4
147.11691	9.1
149.05963	19.8
149.09639	80.9
149.13260	28.2
151.11180	62.1
153.05568	4.6
153.09103	27.3
156.40494	5.0
163.07532	4.2
163.14850	19.8
165.12817	9.7
167.10684	6.2
167.14375	35.5
173.13292	25.0
177.05510	10.4
181.08627	5.0
191.14326	48.8
209.08139	11.8
209.11583	5.2
209.15384	100.0
209.17384	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	209.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01860	3.5
55.05508	8.1
57.03440	2.0
57.07079	10.0
57.83687	1.2
65.03934	2.0
67.05505	9.0
67.51006	1.2
69.03432	17.4
69.07076	6.5
69.67601	4.3
69.68015	3.3
78.04707	1.6
78.74369	1.1
79.05504	7.2
81.03411	1.8
81.07063	13.9
83.04990	16.4
83.08618	3.9
85.06545	8.0
89.03879	1.4
91.05482	10.3
93.03393	4.1
93.07043	8.4
95.04959	5.3
95.08607	9.4
97.06516	4.2
97.10200	1.7
99.08081	1.6
103.05457	2.6
105.07040	6.7
106.04179	11.5
107.04964	1.5
107.08595	30.6
109.06528	11.4
109.10161	5.0
111.08091	8.9
111.32171	1.1
116.72433	1.2
119.08562	6.3
121.06503	12.6
121.10136	11.5
123.08073	5.6
123.11710	6.5
123.81183	1.2
125.06008	3.2
125.09637	61.3
131.08554	5.2
133.10152	8.2
135.08064	12.2
135.11684	4.7
145.10135	3.0
147.04367	1.4
147.11655	3.6
149.05965	13.1
149.09692	7.1
149.13274	9.2
150.10381	1.6
151.11206	3.8
153.09117	14.3
158.10960	1.9
161.09602	1.7
163.11177	3.4
163.14803	4.4
165.12755	17.7
167.07111	1.4
167.14349	3.4
173.13281	17.2
177.05524	6.7
179.08672	1.6
181.08609	2.6
191.14314	88.5
192.14632	1.5
209.08110	3.7
209.15375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	7,8-Dihydro-alpha-ionone
Peak:m/z	Relative Intensity
53.03949	1.1
55.01869	1.8
55.05510	1.2
56.54443	0.3
57.07074	0.7
59.05002	1.0
65.03943	0.7
66.76739	0.3
67.05510	3.3
69.03444	0.6
69.07083	0.7
69.57639	1.6
71.05012	0.3
74.18609	0.3
78.04726	0.3
79.05068	0.5
79.05505	6.0
81.07079	2.1
83.04975	1.1
83.08640	0.8
85.06548	0.6
85.93166	0.3
91.05492	7.5
93.03426	0.8
93.07054	17.7
95.04992	2.2
95.08608	6.6
95.65745	0.3
97.06529	1.1
99.08117	0.4
103.05470	1.2
105.07018	1.5
106.04179	1.7
107.04958	0.5
107.08608	3.4
109.06535	2.4
109.10153	3.5
111.08099	0.3
113.06013	0.4
117.03380	0.9
117.07060	1.1
119.04970	0.5
119.08595	9.5
121.06513	4.2
121.10162	1.4
122.79369	0.3
123.08101	0.3
123.11696	0.4
125.06002	0.6
125.09660	0.7
127.93168	0.3
130.39806	0.3
131.04939	0.7
131.08604	1.3
133.10130	0.7
134.03683	0.4
135.04453	0.5
135.08070	0.5
135.11703	5.1
135.28062	0.3
137.09630	100.0
138.09972	0.6
145.02861	0.6
145.10127	0.7
147.04411	0.3
147.11646	0.5
148.05226	0.6
149.05989	3.1
149.09650	0.4
149.13289	1.0
151.11197	0.4
153.05513	0.6
153.09183	0.8
163.07628	0.4
163.11188	0.5
163.14844	0.9
165.06999	0.4
167.08560	0.7
167.14351	0.7
173.13300	2.3
177.05508	2.9
179.08569	1.3
181.08618	0.3
181.10158	0.4
191.07040	0.6
191.10664	0.3
191.14326	3.5
194.10925	1.1
209.04416	0.4
209.08090	1.3
209.09883	0.5
209.11507	0.5
209.13292	3.2
209.15393	3.4
217.08572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	2.5
55.01862	2.1
55.05515	9.7
57.07087	8.1
59.05011	1.5
65.03930	2.4
67.05519	10.2
69.03091	2.0
69.03433	22.1
69.07084	7.3
70.83033	2.8
70.83416	2.7
71.04957	1.9
75.04459	1.4
78.04720	2.0
79.05513	9.6
81.07073	12.8
83.04987	16.2
83.08620	4.2
85.02912	1.9
85.06560	10.2
91.05479	11.3
93.03400	5.5
93.07058	9.5
95.04958	4.2
95.08624	10.8
97.06519	4.4
103.05491	3.8
105.04541	1.5
105.07040	7.4
106.04180	9.8
107.04950	2.5
107.08608	30.5
109.06525	9.9
109.10165	4.0
111.08109	10.8
117.07018	1.5
119.08579	4.9
121.06513	12.7
121.10147	11.4
123.08069	6.4
123.11708	8.0
125.05986	3.7
125.09644	65.1
131.08548	6.5
133.10179	7.6
134.03693	1.5
135.08084	14.6
135.11705	6.0
137.05992	1.9
137.09564	2.1
137.13182	2.1
137.67561	1.4
145.10162	3.5
147.11665	4.3
149.06013	10.2
149.09618	9.7
149.12241	1.5
149.13274	9.1
151.11191	8.1
153.09120	17.2
156.06976	1.4
158.10896	4.3
158.35400	1.5
161.09633	2.6
163.11203	3.9
163.14832	5.8
165.12755	15.9
167.14294	3.7
173.13295	18.5
176.11884	1.6
177.05522	11.3
181.08661	2.5
191.14330	90.7
209.08069	3.9
209.15390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	7,8-Dihydro-alpha-ionone
Peak:m/z	Relative Intensity
53.03948	0.7
54.06669	0.3
55.01863	1.4
55.05511	0.8
59.04993	1.1
65.03934	0.5
67.05515	3.1
69.07069	0.5
70.78107	0.8
77.03944	0.4
79.05496	5.9
81.07059	1.7
83.04977	0.8
84.24622	0.3
85.06516	0.4
89.03922	0.6
91.05493	7.7
91.75069	0.4
93.03432	1.0
93.07053	15.7
95.04962	2.1
95.08617	6.1
97.06533	0.7
103.05461	1.3
105.04517	0.6
105.07040	1.6
106.04174	3.4
107.08601	3.1
109.06533	0.9
109.10168	3.1
111.08115	0.3
117.03423	0.4
117.07018	1.2
119.08594	9.6
121.06522	5.1
121.10168	0.9
123.08089	0.5
125.06036	0.8
125.09676	0.5
131.04913	0.5
131.08572	1.0
133.10083	0.5
134.03700	0.5
135.08072	0.9
135.11708	5.1
137.09628	100.0
138.06793	0.4
145.02866	0.9
148.05220	0.5
149.05965	4.2
149.09595	0.4
149.13246	0.5
153.09138	1.5
163.11253	0.4
163.14850	1.4
173.13301	1.5
177.05476	2.6
179.08572	0.9
181.08585	0.8
191.07048	0.5
191.14325	3.0
193.10168	0.4
194.10934	0.8
209.08124	1.4
209.13301	1.4
209.15413	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	3.0
55.01862	3.2
55.05505	5.1
59.04990	3.2
65.03932	3.2
67.05494	5.5
69.03431	3.3
69.07062	8.3
70.84218	1.3
71.01065	3.3
74.13580	1.1
75.04488	1.2
78.04688	1.6
79.05496	27.0
81.06611	2.8
81.07064	48.9
83.04972	4.0
83.08615	2.8
85.02911	3.1
91.05491	17.6
93.03445	6.3
93.07050	13.0
95.04956	5.0
95.08603	5.6
97.06535	6.4
103.05453	4.5
105.04513	1.8
105.07045	11.3
106.04173	15.6
107.04964	1.5
107.08604	100.0
109.06525	24.9
109.10143	5.7
110.03661	1.1
110.50198	1.2
115.05444	2.2
115.07576	2.8
117.03412	1.8
117.07023	3.3
119.08562	3.9
121.06526	13.1
121.10150	24.9
122.07277	2.7
123.08049	3.7
123.11707	1.2
125.05977	3.8
131.08533	2.9
133.10141	41.9
134.03616	2.5
135.08060	12.7
135.11668	1.7
137.05980	1.6
137.08582	1.3
137.09625	24.9
145.02959	1.4
145.10136	2.9
147.11729	1.7
148.05148	2.6
149.05981	16.6
149.09604	2.6
149.13243	6.8
151.11154	2.6
153.05412	1.3
153.09116	3.3
163.07523	1.4
163.14795	7.9
173.13239	5.0
177.05493	7.0
181.08609	2.7
191.03369	1.6
191.10690	1.7
191.14323	15.7
209.08026	4.5
209.11755	1.6
209.15413	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	4.1
55.01859	8.3
55.05514	21.3
57.03427	6.1
57.07064	4.0
59.05007	5.4
63.76691	2.0
65.03944	4.3
67.05506	13.5
68.99796	3.5
69.03418	9.0
69.07069	21.1
70.22566	1.9
71.01186	4.0
71.04988	7.3
78.04703	2.4
79.05499	22.8
81.03412	2.5
81.07062	30.0
83.01357	17.0
83.04987	35.5
83.08624	12.0
85.02943	2.6
85.06539	9.7
87.45477	2.2
87.81418	2.3
91.05481	19.5
93.03416	6.2
93.07051	36.2
95.04972	15.1
95.08620	25.5
97.06542	23.7
97.10191	4.8
99.04450	4.5
99.08099	31.5
99.91349	2.0
101.05979	4.3
103.05466	7.4
105.07042	18.8
106.04201	12.0
107.04952	5.5
107.08605	69.3
109.06525	18.2
109.10166	22.8
111.04480	4.5
111.08084	12.6
119.08574	9.7
121.06514	28.4
121.10147	46.6
123.08087	17.7
123.11724	11.2
125.06006	12.3
125.09621	28.8
131.04915	3.4
131.08609	11.9
133.10127	24.7
135.08072	22.8
135.11679	6.8
137.05946	2.3
137.09630	12.7
139.07541	20.6
139.11183	8.8
144.09401	2.5
145.10136	6.3
147.04465	4.5
147.11707	7.8
148.05159	2.7
149.06021	16.0
149.09633	100.0
149.13254	23.2
151.11198	54.5
153.09094	24.0
154.09816	2.8
158.10989	4.1
163.11212	4.6
163.14845	14.2
173.13280	21.9
177.05518	11.3
181.08620	4.9
181.15880	7.1
191.07123	2.3
191.14311	45.5
194.05679	3.1
209.08070	13.5
209.15379	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.85321	2.1
55.05516	83.1
57.03445	4.3
57.07082	5.9
59.05000	6.0
67.05511	11.9
69.03448	8.0
69.07072	8.0
70.54878	5.3
71.05000	4.3
73.02915	2.2
79.05493	7.5
81.07073	20.3
83.04986	100.0
83.08624	35.7
83.79193	2.3
84.63322	2.4
91.05489	6.9
92.06823	2.2
92.33281	2.3
93.07046	12.2
95.04980	13.1
95.08617	8.4
97.06548	14.6
97.10168	10.9
98.21481	2.5
99.04419	2.6
99.08057	2.5
105.07042	6.9
107.08598	26.7
109.06531	28.5
109.10165	26.6
109.49536	2.2
111.08083	14.0
119.08588	4.4
121.06503	3.8
121.10161	15.5
123.11723	13.1
125.08800	2.5
125.09616	17.6
130.66554	2.3
131.08612	2.7
133.10144	14.9
149.06010	2.6
149.09616	5.7
149.13264	7.1
151.10114	4.7
151.11208	33.7
153.09093	7.2
167.14340	69.1
173.13251	3.4
191.14465	3.3
209.15407	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.67253	1.1
53.03942	3.6
55.01876	7.9
55.05515	31.1
57.03431	4.0
57.07059	4.1
59.05009	2.3
65.03938	3.2
67.05506	9.6
69.03437	8.7
69.07075	16.7
69.95098	4.1
69.95489	2.0
71.04987	6.9
79.05502	10.4
81.07070	12.0
83.01353	55.4
83.04987	18.9
83.08634	8.9
85.06554	6.4
91.05479	15.5
93.03400	4.0
93.07054	19.5
95.04980	10.8
95.08606	10.2
97.02875	2.3
97.06541	27.8
97.10155	3.7
99.04446	6.7
99.08102	31.4
101.06006	7.2
103.05473	5.2
105.07046	9.0
106.04169	10.5
107.04958	3.4
107.07883	2.3
107.08600	33.2
109.06506	11.0
109.10152	14.0
111.04463	2.4
111.08090	19.2
117.07014	1.5
119.04926	1.4
119.08566	5.7
121.06523	17.7
121.09330	2.2
121.10147	24.9
123.08053	5.7
123.11713	4.9
125.06002	6.2
125.09638	32.2
127.07551	2.8
131.04933	2.4
131.08575	9.0
133.10141	20.4
135.04320	1.3
135.08055	12.8
135.11691	6.2
137.05994	2.4
137.09634	9.3
139.06540	2.3
139.07555	34.1
139.11198	14.6
145.10123	4.7
147.11694	5.7
148.05190	3.1
149.06021	13.4
149.09633	23.1
149.13272	10.8
151.11215	15.3
153.05533	1.5
153.09129	20.3
154.09872	1.9
155.10703	2.3
155.27130	1.3
158.10924	1.7
163.03915	1.9
163.06448	1.6
163.11310	2.0
163.14815	7.4
165.12715	1.9
167.10660	4.3
167.14323	3.7
173.13266	13.4
177.05457	10.6
181.08662	2.2
181.15892	13.1
191.10683	1.3
191.14340	36.4
194.05696	2.8
209.08081	10.6
209.15381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	2.3
55.05514	37.0
57.07076	1.2
59.04985	3.2
67.05496	4.3
69.03425	3.3
69.07071	7.9
70.93655	2.1
70.93982	1.7
71.04993	4.8
79.05502	6.2
80.54160	1.2
81.07061	7.6
83.04981	47.2
83.08622	20.1
85.06535	1.2
88.92728	1.2
91.05467	3.9
93.06495	1.8
93.07049	28.1
93.07629	1.9
95.04967	32.7
95.08597	5.4
96.04173	1.2
97.06520	4.9
97.10158	5.3
99.04476	5.9
105.07028	6.7
107.07878	2.5
107.08590	35.6
109.06512	6.8
109.10166	13.0
111.08075	4.9
119.08570	3.8
121.10147	100.0
123.08079	2.4
123.11732	7.2
125.09608	5.9
133.10129	5.6
135.11694	3.2
149.09622	1.5
149.13245	4.0
151.11182	17.7
153.09113	8.7
163.14847	20.2
167.14320	39.3
168.75026	1.3
173.13263	3.6
191.14265	8.9
209.15379	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	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.93414	2.9
53.03962	3.0
55.05518	97.8
57.03438	3.2
57.07058	3.9
59.05003	6.0
67.05505	10.8
69.03427	7.2
69.07067	9.4
70.17746	9.8
70.18086	3.7
71.05000	6.8
79.05499	11.7
81.07075	23.9
83.04994	100.0
83.08626	67.4
85.06564	6.7
91.05486	12.0
93.07069	29.6
95.04984	76.6
95.08611	10.2
97.06539	19.6
97.10179	10.4
99.04452	10.8
100.11297	16.3
105.07036	9.3
105.12868	3.3
107.08604	45.3
109.06525	62.7
109.10166	36.4
111.08108	19.9
113.09612	3.2
119.08582	4.7
121.06522	3.4
121.10161	89.8
123.08105	9.1
123.11737	18.6
125.09661	17.1
131.08556	5.5
133.10164	17.4
135.08116	3.6
135.11754	4.0
145.10092	3.5
149.13254	13.2
151.11203	51.4
153.09134	30.8
163.14873	16.5
167.14334	85.2
173.13258	8.1
177.05513	5.6
191.14351	18.2
192.53076	3.4
209.08022	3.4
209.15274	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1175
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02394	1.8
53.03947	2.8
55.01875	9.4
55.05515	17.3
57.03419	3.6
57.07088	2.0
59.04992	1.6
65.03930	2.1
67.05513	10.3
69.03419	4.5
69.06734	1.7
69.07078	20.0
70.55406	3.3
71.05003	24.8
75.89847	1.2
77.03906	1.5
79.05504	41.8
81.03419	2.1
81.07058	14.3
83.04989	21.6
83.08611	5.0
84.95133	1.3
85.02915	1.5
85.06532	2.8
89.46668	1.2
91.05490	34.6
92.92106	1.2
93.03397	1.9
93.07057	44.6
95.04383	1.9
95.04984	32.7
95.08598	4.4
97.06536	15.3
97.10183	1.2
99.04447	5.1
103.05479	7.0
105.07043	30.8
106.04160	5.5
107.04968	20.8
107.07883	2.8
107.08606	57.1
109.06540	16.2
109.10150	5.8
110.97034	1.3
111.04456	4.3
111.08075	3.9
113.06056	1.3
116.06206	2.5
117.07038	7.3
119.04958	2.5
119.08585	11.1
121.06519	46.9
121.10155	43.0
123.04444	2.5
123.08077	5.6
123.11710	2.4
125.06001	9.3
125.09681	6.4
129.07028	6.4
131.04926	3.2
131.08585	100.0
133.06523	1.5
133.10162	6.2
134.03645	1.9
135.04404	3.7
135.08058	5.3
135.11742	7.2
137.05980	2.6
137.09599	1.4
139.07552	5.1
141.05452	3.3
145.10141	38.8
147.08046	3.7
147.11696	4.0
148.05150	1.6
149.06017	15.6
149.09636	76.7
149.13293	1.9
151.07518	2.5
151.11192	7.2
153.05484	11.8
153.09137	10.9
155.07039	1.6
163.07472	2.2
163.11205	29.4
163.14842	2.8
165.09135	4.5
167.07030	5.0
167.10709	4.2
167.14314	12.7
173.09612	2.7
173.13350	2.8
177.05498	12.4
181.08598	2.2
186.47008	1.2
191.07080	2.0
191.10703	33.3
191.14366	8.4
209.04420	2.0
209.08101	7.7
209.11749	55.8
209.15276	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03929	4.5
53.96998	1.0
55.01878	8.5
55.05514	24.5
57.03427	4.4
57.03846	1.0
57.07076	2.6
65.03937	4.3
67.05504	22.2
69.03416	4.2
69.07073	12.8
70.63851	1.8
71.04997	20.9
75.04478	1.6
77.03925	1.6
78.04690	1.6
79.05497	42.2
81.03393	2.3
81.07059	18.5
83.01320	1.2
83.04984	38.7
83.08618	11.7
85.06551	6.1
88.49970	1.0
89.03905	1.7
91.04914	1.4
91.05489	31.7
93.03411	4.9
93.07048	40.8
95.04972	97.0
95.08616	8.0
97.06532	13.5
97.10166	2.9
99.04457	17.1
99.08094	3.1
103.05472	4.7
105.07037	27.7
106.04174	9.7
107.04963	30.7
107.08599	52.8
109.06521	21.3
109.10168	10.0
111.04453	6.9
111.08086	7.0
113.06017	1.1
115.05451	1.6
116.06230	2.1
117.07031	9.5
119.08576	13.6
121.06514	39.6
121.07392	2.1
121.10146	34.8
123.04420	4.0
123.08072	5.5
123.11700	4.5
125.05997	13.8
125.09660	5.9
127.07557	1.1
127.72739	1.1
129.06999	6.9
130.07887	1.7
131.04958	2.3
131.08572	73.7
133.06474	1.5
133.10127	8.7
134.03656	2.5
135.04404	2.4
135.08069	8.5
135.11681	8.8
137.05975	4.0
137.09613	3.1
139.07538	7.7
139.11186	1.7
141.05502	1.0
143.08618	1.3
145.02847	1.8
145.06470	2.2
145.10127	39.7
147.04456	1.6
147.08041	5.5
147.11705	3.2
148.05200	4.4
149.06001	19.6
149.09628	100.0
149.13275	4.3
151.11188	13.2
153.05470	9.0
153.09103	28.8
155.07048	1.6
155.08557	1.2
158.10799	1.1
163.07578	9.5
163.11192	34.8
163.14828	2.3
165.09123	15.7
167.07042	5.6
167.10704	12.6
167.14322	25.0
173.09641	8.7
173.13287	5.3
176.04729	1.2
177.05511	6.7
181.04936	2.8
181.08606	2.6
191.10683	56.1
191.14279	12.1
194.02084	1.7
194.05704	3.4
209.04478	2.2
209.08202	14.8
209.11743	66.7
209.15329	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.5
53.96998	1.0
55.01878	8.5
55.05514	24.5
57.03427	4.4
57.03846	1.0
57.07076	2.6
65.03937	4.3
67.05504	22.2
69.03416	4.2
69.07073	12.8
70.63851	1.8
71.04997	20.9
75.04478	1.6
77.03925	1.6
78.04690	1.6
79.05497	42.2
81.03393	2.3
81.07059	18.5
83.01320	1.2
83.04984	38.7
83.08618	11.7
85.06551	6.1
88.49970	1.0
89.03905	1.7
91.04914	1.4
91.05489	31.7
93.03411	4.9
93.07048	40.8
95.04972	97.0
95.08616	8.0
97.06532	13.5
97.10166	2.9
99.04457	17.1
99.08094	3.1
103.05472	4.7
105.07037	27.7
106.04174	9.7
107.04963	30.7
107.08599	52.8
109.06521	21.3
109.10168	10.0
111.04453	6.9
111.08086	7.0
113.06017	1.1
115.05451	1.6
116.06230	2.1
117.07031	9.5
119.08576	13.6
121.06514	39.6
121.07392	2.1
121.10146	34.8
123.04420	4.0
123.08072	5.5
123.11700	4.5
125.05997	13.8
125.09660	5.9
127.07557	1.1
127.72739	1.1
129.06999	6.9
130.07887	1.7
131.04958	2.3
131.08572	73.7
133.06474	1.5
133.10127	8.7
134.03656	2.5
135.04404	2.4
135.08069	8.5
135.11681	8.8
137.05975	4.0
137.09613	3.1
139.07538	7.7
139.11186	1.7
141.05502	1.0
143.08618	1.3
145.02847	1.8
145.06470	2.2
145.10127	39.7
147.04456	1.6
147.08041	5.5
147.11705	3.2
148.05200	4.4
149.06001	19.6
149.09628	100.0
149.13275	4.3
151.11188	13.2
153.05470	9.0
153.09103	28.8
155.07048	1.6
155.08557	1.2
158.10799	1.1
163.07578	9.5
163.11192	34.8
163.14828	2.3
165.09123	15.7
167.07042	5.6
167.10704	12.6
167.14322	25.0
173.09641	8.7
173.13287	5.3
176.04729	1.2
177.05511	6.7
181.04936	2.8
181.08606	2.6
191.10683	56.1
191.14279	12.1
194.02084	1.7
194.05704	3.4
209.04478	2.2
209.08202	14.8
209.11743	66.7
209.15329	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03955	8.4
55.01877	15.6
55.05489	2.1
57.15196	1.6
59.88165	1.6
61.02946	1.7
64.25401	1.5
65.03944	10.5
67.05497	5.2
69.37264	3.5
69.37673	8.1
71.04983	2.7
71.98712	1.6
75.04485	9.2
76.91364	1.5
77.03939	1.7
78.04710	14.2
79.05491	7.5
81.03419	1.7
81.07050	2.5
82.04185	2.1
83.04966	2.9
83.08585	1.3
85.02906	9.4
89.03918	7.6
91.05488	46.9
93.03409	32.5
93.07049	18.5
95.04968	14.3
95.08605	2.1
97.06528	11.9
103.05472	18.6
105.03384	3.4
105.04514	3.6
105.07038	2.5
106.04178	80.3
107.04963	5.7
107.08588	6.6
109.02858	1.5
109.06528	4.8
109.10121	1.4
117.03371	6.5
118.04138	2.2
119.04929	4.6
119.08588	1.7
120.05724	2.1
121.06512	86.9
121.10170	4.0
122.07283	2.4
123.04435	3.9
123.08073	2.8
125.06013	20.7
125.09663	2.0
131.04935	9.2
131.05804	1.9
133.02843	1.6
133.10162	2.5
134.03635	15.3
135.04398	2.0
135.08055	1.5
135.93257	1.4
137.05980	10.0
137.09642	1.6
138.06769	4.3
139.07520	5.3
145.02846	9.1
147.04367	3.4
148.05185	7.3
149.05992	100.0
151.07542	4.0
152.08269	2.1
153.05457	6.4
153.09126	16.5
159.04395	3.5
163.07547	5.6
163.14821	2.3
165.05418	2.2
166.06357	3.5
167.07050	3.1
176.04680	1.7
177.05493	41.7
181.08614	21.3
191.07074	7.3
191.14314	2.3
209.08170	19.7
209.13333	2.6
209.15396	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0811
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
50.95039	1.5
53.03953	8.6
55.01685	1.3
55.01882	17.0
55.05515	1.9
65.03951	12.7
67.05508	5.8
69.07067	1.6
69.79242	4.0
69.79636	4.1
75.04491	11.6
77.03930	3.1
78.04723	12.5
79.05520	7.3
81.03390	3.3
82.04224	1.5
85.02926	9.6
89.03915	6.0
89.06019	4.6
91.05489	43.8
93.03412	33.2
93.07050	19.3
93.24674	2.0
95.04981	14.9
97.06540	14.0
98.52557	1.4
103.05478	25.2
105.03379	3.9
105.04535	3.8
105.07067	3.6
106.04188	87.5
107.04957	4.9
107.08604	1.6
109.06511	2.3
110.03724	1.7
115.05489	1.5
117.03386	5.6
119.04931	5.6
121.06520	81.1
122.03746	1.6
122.07323	2.4
123.04413	2.6
124.05276	2.4
125.06018	23.6
126.75293	1.4
131.04056	1.6
131.04926	8.5
134.03659	14.6
135.04424	3.2
137.05952	10.2
138.06757	4.3
139.07562	6.0
145.02888	4.3
147.04454	2.6
148.05228	10.6
149.06003	100.0
151.07530	4.2
152.08351	1.8
153.05476	7.3
153.09122	22.2
157.50508	1.6
159.04451	2.7
163.07542	7.0
166.06316	5.0
167.07034	1.7
177.05498	44.6
181.08632	22.6
189.55933	1.6
191.07077	5.9
209.08150	22.0
209.15205	1.6
212.29884	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.02383	1.1
53.03950	8.9
55.01871	15.8
57.03442	1.3
65.03946	11.1
67.05517	4.9
70.22326	1.9
70.22698	1.7
75.04484	11.7
77.03919	4.0
78.04714	12.3
79.05495	6.2
81.03436	1.6
81.07057	1.6
85.02914	10.1
89.03915	6.2
89.06036	2.2
91.05489	45.0
92.06271	1.3
93.02829	2.0
93.03410	31.8
93.07043	15.7
94.04208	1.5
95.04987	14.0
96.05748	1.8
97.06543	11.5
98.21475	1.4
103.05476	20.2
105.03399	2.2
105.04537	4.3
105.07038	2.2
106.04178	80.7
107.04980	5.4
109.06494	2.9
110.03609	1.3
110.07330	1.3
111.04459	1.0
117.03381	4.6
118.04174	1.8
119.04951	3.8
121.06515	73.5
122.03596	1.4
123.04448	2.9
123.08087	2.9
124.05197	2.0
125.06005	23.4
131.04939	6.9
131.05830	1.1
133.02905	1.6
134.03629	13.7
135.04462	3.7
137.05975	12.1
137.09608	1.8
138.06784	4.6
139.07539	4.5
145.02823	6.1
145.58237	1.0
147.04434	3.1
148.05173	8.3
149.05991	100.0
151.03998	1.2
151.07549	2.6
152.08366	1.1
153.05501	5.2
153.09111	14.9
159.04425	2.0
162.03122	1.3
163.07530	6.0
165.05537	1.1
166.06213	3.7
167.07077	1.3
176.04584	1.1
177.05482	44.2
181.08607	19.6
181.10205	1.5
184.91753	1.2
191.07065	7.8
194.05878	1.2
209.08089	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	209.0809
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02417	1.5
53.03944	10.8
55.01880	12.8
65.03940	15.1
67.05492	5.7
69.03430	1.5
69.07083	2.0
70.80147	1.6
70.80492	2.8
71.04996	1.3
75.04480	11.6
77.03925	3.7
78.04718	12.9
79.05502	9.8
81.03419	2.3
81.07046	3.5
82.04184	1.8
85.02920	12.0
89.03918	7.0
89.06038	3.1
91.05486	51.1
93.03415	32.0
93.07050	18.0
94.86176	1.3
95.04972	18.1
95.08611	3.0
95.35982	1.2
97.06549	13.9
103.05466	20.3
105.03394	3.4
105.04508	5.1
105.07040	4.7
106.04179	98.9
107.05023	6.0
107.08613	4.8
108.05688	1.6
109.06530	8.3
109.10191	1.4
110.43508	1.3
111.04468	1.9
117.03366	5.8
118.04170	1.7
119.04930	6.2
121.06515	89.9
121.10155	2.7
122.07301	1.8
123.04436	2.6
123.08058	4.2
124.05221	2.0
125.06000	26.4
131.04973	6.4
133.06497	1.8
133.10168	2.1
134.03639	15.2
135.04407	3.1
135.07954	1.8
137.05995	12.1
138.06778	4.0
139.07571	5.6
145.02832	5.6
147.04497	2.3
148.05188	9.5
149.05986	100.0
149.13300	1.5
151.03905	2.2
151.07571	4.7
151.11156	6.8
152.08563	1.6
153.05495	7.7
153.09102	17.4
159.04433	2.5
162.03123	1.7
163.03957	1.4
163.07570	7.0
166.06204	3.6
173.13228	1.9
177.05476	32.6
181.08632	17.6
184.93739	1.6
191.07030	4.2
191.14351	3.2
200.56517	1.3
209.08092	21.5
209.09949	2.0
209.15358	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02369	1.7
51.04908	1.4
53.03955	9.2
55.01872	13.1
55.05512	9.3
57.03435	3.3
57.29007	1.3
59.05003	2.3
65.03943	13.2
67.05506	11.9
69.03417	4.1
69.07076	8.4
70.80521	2.8
71.05000	6.5
71.52145	1.5
74.78850	1.4
75.04484	8.8
77.03938	4.3
78.04697	10.2
79.05499	11.0
80.66644	1.3
81.03407	4.4
81.07057	13.3
83.04991	11.7
83.08631	5.6
85.02908	8.6
85.06538	2.6
89.03922	7.3
89.06038	2.3
91.05487	56.5
93.03412	26.1
93.06482	2.8
93.07050	38.2
94.37738	1.4
95.04979	23.0
95.08604	9.9
95.90376	1.4
97.06532	14.3
99.04457	3.7
99.08086	1.9
103.05469	26.0
105.03415	3.1
105.04502	4.4
105.07030	9.0
106.04182	73.0
107.04955	8.0
107.08602	20.2
109.06537	14.2
109.10143	7.8
111.04385	3.2
111.08091	4.9
117.03381	6.3
117.06983	3.1
118.04137	2.8
119.04951	5.3
119.05867	1.4
119.08616	7.6
120.05716	2.3
121.06516	81.3
121.10146	19.8
123.04429	4.5
123.08067	5.3
123.11687	2.9
124.05225	1.7
125.06009	20.7
125.09641	4.1
131.04961	10.2
131.05798	2.0
131.08553	3.6
133.10143	7.3
134.03659	14.1
135.04422	3.0
135.08092	9.7
135.11678	4.0
137.05995	11.7
137.09631	16.3
138.00598	1.3
138.06726	2.1
139.07564	7.9
145.02872	6.1
145.10143	4.6
147.04388	3.0
147.11696	6.8
148.05194	10.0
149.05995	100.0
149.09628	7.1
149.13289	8.6
151.07530	4.1
151.11195	6.2
151.57993	1.3
152.08290	1.5
153.05519	8.1
153.09108	21.0
157.61360	1.2
159.04428	3.6
163.03909	2.2
163.07550	5.7
163.11203	4.5
163.14836	3.5
165.05466	2.6
165.12759	2.2
166.06288	4.2
167.07004	2.4
167.08459	1.2
167.14336	4.3
173.13278	4.9
176.04655	2.1
177.05504	46.5
180.07861	1.4
180.66008	1.2
181.05020	2.9
181.08600	20.1
191.07048	5.5
191.10661	1.6
191.14305	20.8
194.05756	3.4
209.08109	25.5
209.11740	4.4
209.15401	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.47009	1.9
52.39756	1.5
53.03930	2.6
54.59806	1.5
55.05501	6.8
55.19969	1.6
57.03429	5.7
57.07058	4.0
67.05521	8.0
69.07074	7.3
70.07243	5.7
71.05001	2.7
79.05505	9.4
81.07060	18.4
82.48727	1.2
83.04964	4.2
83.08620	5.0
85.06534	6.4
91.05479	15.0
93.07039	32.6
95.04986	1.5
95.08616	31.3
95.09203	3.1
97.06546	1.7
105.07040	28.3
107.08600	68.6
109.06514	4.8
109.10161	15.5
111.08058	2.0
115.96421	5.5
117.07005	1.9
119.04894	2.1
119.08589	48.4
121.10136	14.3
123.08064	7.2
123.11699	8.0
133.10135	46.1
135.11696	100.0
137.09642	12.8
137.13216	3.0
145.10117	4.6
147.11684	37.0
149.02368	3.1
149.13289	11.4
151.11185	17.5
161.13261	6.9
163.14819	14.4
165.12842	1.9
189.16393	98.7
192.09352	2.9
207.06561	5.1
207.11713	4.2
207.13673	2.7
207.17462	70.4
224.11275	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02377	2.1
53.03952	8.8
55.01875	14.1
56.21381	1.1
56.28598	1.3
57.03427	1.3
57.07080	1.4
60.12097	1.3
60.85052	1.1
65.03945	15.3
67.05506	5.3
70.62927	3.7
71.04984	1.4
74.92047	1.1
75.04488	10.6
77.03925	3.0
78.04715	11.2
79.05503	9.0
81.03414	2.2
81.07059	5.2
83.04989	2.7
85.02910	10.6
88.77737	1.2
89.03918	8.8
89.06058	2.3
91.05487	47.3
93.03416	29.5
93.07043	18.4
94.04202	1.5
95.04983	14.1
95.08606	2.1
95.48112	1.2
97.06540	12.9
103.05482	22.7
105.03412	2.6
105.04515	3.9
105.07058	2.0
106.04183	80.5
107.04961	6.0
107.08617	2.0
108.05737	2.6
109.06548	6.9
109.07211	1.2
111.04430	2.9
117.03409	8.2
118.04170	2.3
119.04957	5.0
120.05701	1.7
121.06512	78.0
122.03638	1.4
122.07325	2.0
123.04440	3.7
124.05194	1.8
125.06008	23.2
131.04948	11.7
133.02866	3.3
133.06525	1.8
134.03650	14.6
135.04408	3.4
135.08055	2.1
137.06000	9.8
137.09669	2.3
138.06773	4.1
139.07513	3.9
145.02844	7.2
147.04369	3.8
148.05176	8.5
149.05991	100.0
151.03978	1.9
151.07573	4.2
151.11218	1.8
152.08409	1.9
153.05475	6.7
153.09109	18.5
159.04393	3.2
163.07558	3.9
165.05502	1.8
166.06273	3.1
167.07028	2.0
167.08560	1.4
176.04680	1.5
177.05492	43.7
179.08560	4.5
180.07924	1.6
181.08636	18.9
181.10165	1.4
191.07068	6.1
191.10707	1.3
191.14284	3.0
194.10963	2.4
209.06119	1.6
209.08087	21.0
209.11499	1.4
209.13280	8.9
209.15393	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
55.05513	6.3
57.03431	4.7
57.07068	3.3
67.05175	2.1
67.05483	11.7
69.07068	11.1
74.79068	2.2
79.05484	6.7
81.07063	20.0
83.05013	3.9
83.08614	6.0
85.06548	6.3
91.05487	15.0
92.32835	1.9
93.07057	26.2
95.04990	3.4
95.08607	29.9
97.10179	2.0
99.82964	2.2
105.07034	27.0
107.08601	56.8
109.06538	4.5
109.10168	16.1
115.96461	6.2
119.04961	2.3
119.08578	32.7
121.06500	3.6
121.10145	11.9
123.08077	9.7
123.11711	9.7
131.08604	3.3
133.10143	44.5
135.11694	100.0
137.09625	13.3
145.10124	5.0
146.93431	2.2
147.11699	31.9
149.02298	2.6
149.13274	7.7
150.02699	2.2
151.11166	19.6
159.11725	2.4
161.13260	7.6
163.14836	12.2
164.04616	2.5
165.05545	2.9
165.12752	3.2
189.16382	90.2
207.06580	5.3
207.09798	3.2
207.11768	4.8
207.13768	4.2
207.17433	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	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03942	3.4
55.05513	11.0
56.12910	1.4
56.96530	2.2
57.03434	5.0
57.07066	4.7
57.22152	1.4
59.04985	1.8
65.03961	1.7
67.05503	16.6
69.07066	14.4
71.04976	2.4
71.50893	2.2
79.05492	21.4
80.81119	1.5
81.06601	2.3
81.07055	31.7
83.04984	4.1
83.08614	4.4
85.06554	5.3
91.05481	36.4
93.06489	3.1
93.07050	48.1
95.04944	7.6
95.08611	46.9
97.06541	3.6
97.10194	2.2
99.08103	1.6
103.05466	3.5
105.04517	1.9
105.07030	40.8
105.07709	3.3
107.04967	2.6
107.08597	67.8
109.06530	6.1
109.10162	22.9
109.84531	1.5
111.08076	4.9
111.81448	1.4
115.96442	15.0
116.97225	6.6
117.07035	4.8
119.04922	9.8
119.08586	53.7
121.02813	2.1
121.06532	2.8
121.10146	14.0
123.04464	2.9
123.08092	13.4
123.11724	9.7
125.09662	1.9
129.07019	1.9
131.08539	3.8
133.06474	2.3
133.10135	56.8
133.97462	5.1
135.08083	2.8
135.11696	75.2
136.05164	4.6
137.09628	10.5
137.13306	3.1
143.08647	1.8
145.10098	4.3
147.04411	11.4
147.08095	2.2
147.11696	46.9
149.02351	10.8
149.09604	3.6
149.13268	16.8
151.07567	5.1
151.11165	14.3
159.11691	3.1
161.06021	2.4
161.13261	15.6
163.03929	2.3
163.14835	14.1
164.04651	9.3
165.12767	3.2
171.11702	4.3
171.18307	1.6
174.03134	2.9
175.03998	2.1
179.07085	10.3
189.12814	8.1
189.16394	100.0
191.03383	1.9
192.04147	4.1
192.09357	4.3
193.09914	1.7
197.02745	1.5
207.06535	29.1
207.09979	3.9
207.11755	7.5
207.13824	11.1
207.17465	62.4
215.37653	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.75193	1.0
53.03941	1.8
55.01874	1.1
55.05510	10.8
57.03422	3.3
57.07064	2.4
59.04984	1.8
65.03937	1.5
67.05513	14.9
69.07075	17.1
69.43027	8.1
71.05005	2.8
79.05502	10.1
81.07063	24.2
83.04962	2.8
83.08620	6.1
85.06545	2.9
91.05484	20.2
93.07047	24.7
95.04953	2.8
95.08614	46.1
97.06522	1.9
97.10173	1.1
98.08566	1.1
99.08118	1.5
103.05471	1.5
105.06318	1.9
105.07036	42.5
107.08598	55.4
109.06509	4.1
109.10167	25.2
111.08082	2.6
115.96442	6.8
116.97231	2.2
117.07032	3.4
117.69151	1.0
119.04966	3.5
119.08589	71.2
121.10146	18.4
123.08057	4.8
123.11727	8.4
125.09609	1.3
131.08562	4.6
133.10136	70.3
133.97490	2.6
135.11697	53.8
136.05180	1.6
137.09625	8.9
137.13277	2.3
145.10139	5.5
146.10814	1.4
147.04437	4.1
147.10519	2.5
147.11696	49.9
149.02347	2.6
149.06017	1.2
149.13266	11.2
151.07561	1.8
151.11165	9.1
159.11736	2.6
160.12517	2.0
161.13263	14.2
163.03864	1.4
163.14844	6.9
164.04674	3.0
165.12788	2.1
171.11586	1.6
174.14066	2.1
177.16396	3.5
179.07043	4.5
179.08458	1.1
187.14798	1.2
189.08917	1.1
189.16397	100.0
192.09346	4.5
207.06572	8.6
207.09956	1.3
207.11765	3.9
207.13828	5.8
207.17459	53.1
225.04350	1.9
226.70549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03941	1.1
55.01881	1.5
55.05516	2.5
57.03441	0.7
57.07072	0.6
59.05007	1.3
65.03947	1.5
67.05511	2.6
69.03431	6.3
69.07056	1.4
71.04992	1.5
71.48766	0.9
78.04772	0.7
79.05511	3.8
81.03428	0.9
81.07068	4.0
83.04990	1.5
83.08673	0.7
85.02937	1.4
85.06535	0.6
86.90913	0.7
87.18964	0.7
87.33492	0.6
89.03914	0.9
89.87144	0.6
91.05481	29.4
93.07055	4.5
95.04976	2.2
95.08605	4.7
97.06574	1.4
98.97583	1.0
100.59972	0.6
101.12394	0.6
103.05492	2.8
104.06265	1.1
105.03393	1.0
105.07037	15.9
107.04938	5.5
107.08597	4.5
108.05744	1.0
109.06528	8.4
109.10149	0.8
111.08073	1.6
115.05461	8.4
116.06283	1.2
117.07027	2.9
118.04136	3.5
119.04946	16.6
119.05862	0.9
119.06169	0.7
119.08593	12.8
121.06521	5.8
121.10149	10.9
123.04459	1.2
123.08076	7.5
123.11757	1.6
125.05994	0.8
125.09565	0.9
128.06235	2.9
129.06998	7.3
130.07834	0.7
131.04927	5.8
131.08569	8.3
132.02078	1.1
132.05690	3.3
133.06509	7.1
133.10152	2.9
135.04480	1.1
135.08047	1.1
136.05194	1.9
137.09636	1.8
143.04907	2.4
143.08586	1.7
144.05804	0.8
145.06477	3.3
145.10132	2.6
146.03616	3.9
146.07268	7.7
147.04408	11.2
147.08051	12.9
147.11661	6.6
148.05185	4.9
149.02385	3.3
149.05940	2.2
149.09631	20.6
151.07547	20.6
156.09332	2.6
157.03931	0.9
157.06506	1.9
157.07657	1.1
159.08005	1.1
159.11681	1.0
160.05165	1.3
161.05986	100.0
161.09619	21.0
161.13298	7.4
163.03972	1.8
163.07513	2.2
163.11197	4.3
164.04712	4.9
165.12741	4.9
171.11674	6.0
174.03110	1.4
174.06784	2.7
175.03906	12.3
175.07532	11.5
176.08337	23.5
176.09889	1.1
177.05446	2.2
177.08954	1.3
179.07050	4.3
188.87184	0.6
189.09114	24.0
189.12759	13.8
192.04193	3.5
192.07813	3.9
207.06531	14.7
207.10153	18.8
207.13791	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.66205	1.0
53.03932	1.3
54.63094	0.9
55.01867	1.3
55.05518	4.8
57.07063	1.0
59.04989	2.5
63.25891	1.1
65.03957	1.8
67.05495	4.0
68.01334	1.1
69.03436	11.6
69.07056	3.6
69.18360	9.1
71.04987	2.0
77.03906	2.1
79.05493	5.6
81.03417	1.2
81.07054	5.5
83.04969	1.8
85.02903	1.7
89.03899	1.0
91.05491	38.0
93.07055	6.6
95.04971	2.7
95.08610	6.8
97.06538	2.1
98.97536	1.7
103.05481	3.6
105.07046	23.6
107.04955	5.9
107.08615	8.8
109.06526	15.4
109.10206	2.4
111.08089	2.0
115.05453	9.9
116.06200	1.4
117.06985	3.2
118.04172	4.3
118.07850	1.3
119.04109	2.0
119.04948	24.7
119.08598	24.0
121.06532	6.0
121.10152	18.4
123.04427	2.3
123.08086	16.0
123.11687	2.9
125.05965	1.0
125.09583	1.3
128.06206	2.9
129.07008	7.2
130.07794	1.6
131.04919	4.5
131.08583	13.6
132.05711	2.3
133.06500	6.9
133.10182	4.8
135.08073	1.9
136.05197	3.0
137.05998	1.4
137.09598	2.3
143.04895	2.5
143.08528	3.3
144.05717	1.1
145.06487	2.4
145.10101	4.1
146.03653	4.9
146.07294	5.1
147.04434	14.9
147.08063	20.5
147.11691	8.8
148.05147	4.3
149.02324	4.9
149.05948	1.0
149.09630	31.0
151.07558	39.7
156.09366	5.9
157.04050	1.1
157.06464	1.4
159.04523	1.1
159.08029	1.2
161.05997	100.0
161.09619	21.6
161.13268	13.0
163.03888	2.1
163.07567	3.5
163.11220	7.1
164.04753	5.9
165.09087	1.5
165.12743	8.0
171.11690	12.5
174.03169	1.7
174.06789	3.2
174.10458	1.2
175.03934	16.6
175.07539	11.5
176.08331	8.1
177.05473	1.7
179.07054	5.8
179.14319	1.0
189.09142	23.6
189.12766	23.2
192.04156	6.2
192.07863	1.4
207.06551	20.8
207.10225	20.1
207.13817	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.62527	1.6
53.03940	3.6
55.01869	3.9
55.05500	8.1
57.03423	4.9
57.07084	3.6
59.04993	4.7
65.03944	9.3
66.87244	1.6
67.05505	19.5
69.03438	13.8
69.07080	11.5
70.46050	3.4
71.04997	5.2
72.88157	1.7
73.39256	1.7
77.03925	3.9
79.05499	17.5
79.73497	1.9
81.03401	2.7
81.07063	22.6
83.04968	8.2
83.08626	2.9
85.02905	59.3
85.06552	6.5
89.03948	3.8
91.05485	98.9
93.07056	25.6
93.55270	1.6
95.04989	9.6
95.08607	29.1
97.06535	4.0
103.05474	6.5
105.07032	62.3
107.04951	5.1
107.08594	38.9
108.05760	2.6
109.06533	17.9
109.10165	17.8
111.04491	1.8
111.08083	2.5
113.06033	3.4
117.07033	4.3
118.04167	8.8
119.04950	81.1
119.08582	64.9
121.02887	3.8
121.06512	13.1
121.10152	32.0
123.04452	4.4
123.08071	31.2
123.11707	34.1
125.05990	3.7
125.09651	2.6
128.06232	4.8
129.07007	6.8
131.04971	3.5
131.08615	10.0
132.02068	6.9
133.06487	8.9
133.10130	21.8
135.04408	2.9
135.08038	12.8
135.11694	7.4
136.05219	5.0
136.06541	1.9
137.05988	5.0
137.09627	15.2
137.13245	2.2
138.51759	1.7
139.07590	4.0
143.08575	6.4
144.09315	2.4
145.02859	2.7
145.06592	2.2
145.10130	8.8
146.03651	7.6
146.07233	3.2
147.03239	3.7
147.04411	60.1
147.08067	21.9
147.11697	57.3
149.02347	17.1
149.05942	2.8
149.09625	37.9
151.07549	17.6
151.11237	3.0
156.09317	10.3
157.04024	6.2
159.08064	5.5
159.11714	6.3
161.05980	37.7
161.09613	15.4
161.13254	35.9
162.05447	2.7
163.03963	2.8
163.07538	4.2
163.11218	10.2
164.04727	14.5
165.09145	3.9
165.12776	14.4
171.11673	13.0
174.03081	5.8
174.06795	1.9
174.10429	6.8
175.03922	70.1
177.12747	6.1
179.05414	3.1
179.06993	17.9
179.14334	5.6
189.05489	3.5
189.09174	12.1
189.12747	49.1
192.04184	15.4
207.04594	4.4
207.06526	58.3
207.10103	4.0
207.13812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03954	0.9
55.01876	0.8
55.05517	1.9
57.03431	0.5
57.07085	0.8
59.05003	0.8
64.35255	0.3
65.03948	0.8
67.05512	2.9
69.03438	1.8
69.07070	2.9
70.85100	0.9
71.05007	1.1
77.03955	0.5
79.05496	4.2
81.03415	0.5
81.07066	3.9
81.68343	0.4
83.04968	1.0
85.02909	2.2
85.06547	1.1
89.03889	0.4
90.04716	0.4
91.05486	18.6
93.07047	5.0
95.04967	1.5
95.08608	4.9
97.06537	0.8
100.47528	0.4
103.05474	2.4
105.03410	0.6
105.07036	19.2
107.04976	2.9
107.08588	5.2
109.06528	4.6
109.10161	1.5
113.06045	0.5
115.05464	1.3
115.27464	0.4
116.06230	1.1
117.07024	2.4
118.04191	3.3
119.04964	8.2
119.08585	20.7
120.09377	1.1
121.06499	4.2
121.10150	6.4
123.04431	0.5
123.08070	5.0
123.11710	1.8
124.00901	0.4
128.06203	3.8
128.69536	0.4
129.07008	5.9
130.07814	1.8
131.04944	6.0
131.08574	4.8
132.02045	0.4
132.05763	0.8
133.02835	0.5
133.06522	3.3
133.10138	9.1
135.08066	1.0
135.11690	1.5
136.05203	0.9
137.06003	0.7
137.09624	1.6
137.13248	0.5
143.08539	1.9
144.05684	0.7
145.06496	2.1
145.10121	3.9
146.03635	2.7
146.07281	6.7
146.08409	0.4
146.10880	1.1
147.04419	4.7
147.08064	4.5
147.11696	15.9
148.05199	5.2
149.02368	1.5
149.06009	0.8
149.09630	7.3
151.07574	3.4
156.09373	4.0
157.06474	1.5
159.04416	0.5
159.08060	2.2
159.11719	0.7
160.08788	1.1
161.05988	100.0
161.09613	24.9
161.13261	26.4
162.06345	1.4
162.09985	0.4
163.07545	3.3
163.11165	2.4
164.04697	1.5
165.09129	0.7
165.12737	1.6
171.08119	0.8
171.11708	2.4
174.06706	2.8
174.10381	2.8
175.03906	3.9
177.05548	0.5
179.07004	1.4
179.14223	0.5
189.09126	24.3
189.12752	20.3
192.04176	1.3
207.06540	4.8
207.10182	2.7
207.13812	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.14114	1.3
55.05500	5.8
55.85741	1.2
57.07071	4.5
59.04977	1.7
65.03935	1.8
67.05190	1.8
67.05517	28.5
69.03419	4.4
69.07044	3.7
70.48022	4.1
71.05007	2.8
79.05488	4.7
81.07066	8.7
83.04980	4.3
83.08602	1.4
85.02911	6.3
85.06547	11.0
91.05490	12.6
93.07059	13.0
94.51607	1.6
95.04956	6.0
95.08614	100.0
103.05452	1.5
105.07037	21.0
107.04970	1.5
107.08593	21.8
108.99840	1.4
109.06529	6.8
109.10149	4.6
111.08047	2.2
113.06008	5.2
117.07035	1.9
118.96845	1.3
119.04949	3.5
119.08594	29.6
121.06493	3.8
121.10139	18.7
123.08078	58.7
123.11710	12.1
129.07022	1.7
131.08588	7.3
133.06503	2.3
133.10149	9.1
135.08104	2.2
135.11662	3.9
137.09633	7.0
137.13275	2.6
139.23151	1.3
143.08536	2.5
145.10124	3.7
147.04427	2.9
147.08032	10.9
147.11711	16.7
149.08435	2.6
149.09634	53.8
151.07527	2.8
151.14809	3.6
153.09201	1.4
156.09335	3.7
160.08908	1.3
161.05933	2.1
161.09612	1.8
161.13261	18.2
163.11240	2.3
165.09125	3.0
165.12750	11.7
171.11710	6.0
174.10388	5.0
179.14276	3.3
189.12764	23.3
207.13814	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01863	3.3
55.05502	8.6
57.03427	3.4
57.07065	4.0
59.04993	3.5
65.03943	8.4
67.05508	15.8
69.03439	12.6
69.07072	9.8
69.23701	8.7
69.24126	6.4
71.04991	3.5
73.06589	1.5
77.03932	3.0
79.05502	17.4
80.64953	1.7
81.06610	1.7
81.07063	26.1
83.04986	7.7
83.08633	1.8
85.02911	46.6
85.06533	4.7
88.68938	1.6
89.03931	3.2
91.05483	100.0
93.07051	25.0
95.04983	10.1
95.08615	27.6
97.06535	5.8
103.05444	5.3
105.07037	61.8
107.04935	6.7
107.08599	32.1
108.05727	3.5
109.06519	17.6
109.10168	17.2
111.08089	4.4
113.06004	3.1
115.05482	3.2
117.07014	5.0
118.04151	5.0
119.04951	83.3
119.08588	61.2
121.02869	2.5
121.06493	10.7
121.10149	26.1
123.04475	8.2
123.08078	28.5
123.11714	34.9
125.05976	4.6
128.06178	4.6
129.03395	2.3
129.07037	8.3
130.07751	1.8
131.04915	3.1
131.08572	11.2
132.02071	7.7
133.06523	10.0
133.10136	23.5
135.04419	2.5
135.08090	11.8
135.11702	6.5
136.05183	4.8
137.05962	3.8
137.09628	14.0
137.13274	2.1
143.08569	7.5
145.06493	2.0
145.10136	9.0
146.03641	7.6
146.07306	2.3
147.04414	63.3
147.08057	18.0
147.11697	53.8
149.02325	15.0
149.09628	35.6
151.03790	1.9
151.07536	15.5
151.11105	3.3
156.09364	10.4
157.03954	8.7
157.06538	2.1
159.08026	5.1
159.11720	4.5
161.06003	33.9
161.09619	14.8
161.13263	37.0
163.03870	3.5
163.07503	2.3
163.11182	9.6
164.04683	16.2
165.09099	5.0
165.12787	12.5
171.11649	10.1
174.03165	3.6
174.10382	7.0
175.03917	63.9
177.12769	6.1
179.03438	2.3
179.07027	15.9
179.10631	1.9
179.14314	3.2
189.09166	10.6
189.12759	44.6
190.05215	1.7
192.04153	16.1
207.04599	3.2
207.06520	50.2
207.10146	4.4
207.13802	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02375	1.6
53.03950	32.0
55.01861	2.6
55.05514	18.1
56.05832	1.7
57.03427	1.3
57.07058	1.2
58.39512	1.0
59.04998	3.7
60.69610	1.1
62.49353	1.1
65.03941	3.2
66.95814	1.0
67.05508	6.3
69.03439	6.9
69.07072	1.8
69.54313	1.1
69.92906	1.1
70.17667	4.6
71.04981	1.7
72.08165	2.2
79.05499	9.3
81.03422	100.0
81.07066	8.3
83.04974	3.0
83.08623	23.5
85.02898	2.1
91.05483	27.3
93.03408	1.6
93.07066	13.2
95.04958	4.5
95.08614	12.6
97.06511	1.4
103.05476	1.9
105.07033	19.5
106.52187	1.0
107.04958	2.3
107.08604	18.8
107.60806	1.1
109.06515	4.9
109.10178	3.0
111.08099	3.0
115.05415	2.1
117.07024	5.2
118.04102	1.1
119.04945	14.3
119.08581	22.0
121.06496	3.3
121.10140	13.5
123.04459	8.0
123.08062	6.0
123.11629	2.4
125.09606	5.5
128.06236	3.1
129.07011	4.8
131.08557	8.2
133.06506	3.2
133.10127	3.8
135.08073	2.5
135.11691	1.7
135.74802	1.2
137.06023	1.4
137.09650	2.8
137.13245	2.5
143.04942	1.3
143.08543	3.2
145.10101	4.8
146.03662	2.7
147.04416	12.9
147.08063	16.9
147.11684	10.8
149.02336	2.6
149.06038	1.8
149.09645	9.9
151.03955	1.8
151.07524	4.7
156.09282	1.4
159.11681	1.7
161.05974	9.0
161.09642	5.2
161.13266	4.4
163.03946	1.1
163.11214	2.7
164.04697	2.4
165.09134	2.2
165.12762	69.8
171.11655	2.1
174.10535	1.4
174.41620	1.2
175.03944	10.1
179.07008	4.1
189.05486	2.2
189.09132	4.7
189.12730	3.1
192.04210	2.8
207.02795	1.9
207.06496	13.1
207.10127	6.1
207.13783	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	207.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01870	0.7
55.05514	1.4
57.03429	0.4
57.07071	0.4
65.03938	1.4
67.05506	1.2
69.03437	2.6
69.07075	1.0
70.78127	0.9
71.04992	0.7
77.03950	0.6
79.05479	2.6
81.03428	0.9
81.07068	1.8
83.04979	1.0
85.02908	1.1
86.62631	0.4
89.03907	1.0
91.05489	20.0
93.07034	2.6
95.04988	0.9
95.08598	1.9
95.83926	0.4
103.05453	2.9
104.06205	0.5
105.03407	0.5
105.07042	9.8
107.04971	2.6
107.08621	2.0
108.05759	0.7
109.06518	3.6
109.10165	1.2
113.43755	0.4
115.05457	6.9
116.06242	1.0
117.07044	2.7
118.04162	3.6
119.04948	15.4
119.08587	7.0
121.02870	0.7
121.06517	5.1
121.10136	4.1
123.04423	0.7
123.08084	3.1
123.11718	0.9
128.06194	2.8
128.71495	0.4
129.03363	1.0
129.07013	5.4
130.07806	0.9
131.04941	6.3
131.08563	3.4
132.02083	0.8
132.05699	2.4
133.02859	0.9
133.06505	9.2
133.10159	2.0
135.08061	0.6
136.05200	1.5
137.05952	0.7
137.09651	0.8
139.07643	0.4
143.04910	1.8
143.05972	0.7
143.08559	0.8
144.05685	1.0
145.06512	2.5
145.10162	1.2
146.03618	2.6
146.04677	0.5
146.07286	6.4
147.04422	10.4
147.08046	7.7
147.11659	2.9
148.05194	3.4
149.02353	3.2
149.06010	2.1
149.09612	7.8
151.07549	9.6
155.06013	0.5
156.09364	1.2
157.04007	0.9
157.06505	1.7
158.07193	0.5
159.04379	0.7
159.08076	0.7
160.05217	1.5
160.08881	0.5
161.05991	100.0
161.09612	18.7
161.13278	2.9
163.03925	1.6
163.07567	2.1
163.11185	1.1
164.04681	3.5
164.08365	0.6
165.09093	0.7
165.12726	2.2
171.11697	2.0
174.03172	0.8
174.06760	2.2
175.03934	9.0
175.07533	8.6
176.08339	43.2
177.05504	2.8
177.09079	2.8
179.07037	4.3
179.10643	0.7
189.09120	20.8
189.12729	5.3
192.04218	2.8
192.07846	4.9
195.07820	0.5
207.06567	10.7
207.10179	29.0
207.13776	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	207.1018
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
51.02393	0.6
53.03954	0.9
55.01870	1.7
55.05508	1.9
57.03437	0.7
58.03872	0.3
59.05016	0.4
65.03936	1.9
67.05505	2.3
68.69108	0.3
68.99804	0.5
69.03432	2.0
69.07090	1.0
69.72897	1.7
71.04993	3.1
77.03922	1.4
78.04739	0.4
79.05496	4.1
80.06289	0.3
81.03423	1.0
81.07054	2.3
83.04997	0.6
83.08629	0.5
85.02917	0.5
85.06588	0.4
89.03939	1.2
91.05483	27.2
93.07037	3.0
95.04971	3.1
95.08611	4.1
99.04469	0.4
102.04728	0.4
103.05473	4.2
105.03408	3.5
105.04537	0.5
105.07037	10.2
106.04167	0.5
107.04964	2.7
107.08602	3.0
108.05768	1.4
109.02952	0.3
109.06528	3.0
109.10177	1.2
111.08067	0.4
115.05431	1.4
116.06259	1.0
117.03387	0.4
117.07013	2.6
118.04157	4.6
119.04948	19.1
119.08588	6.2
120.05766	0.4
121.02870	1.0
121.06511	7.4
121.10153	2.1
123.04436	2.9
123.08063	4.0
123.11730	0.8
125.06010	0.4
125.09648	0.6
128.06224	4.0
129.07011	10.5
130.04158	0.3
130.07770	1.0
131.04930	9.1
131.08571	3.0
132.02072	0.8
132.05714	0.9
133.02852	4.8
133.06500	5.3
133.10138	2.3
134.03641	0.6
135.04442	0.9
135.08066	2.5
135.11716	0.5
136.05211	2.8
137.06012	2.5
137.09625	3.8
141.07014	0.3
143.08572	1.2
144.05678	0.7
145.02852	0.4
145.06491	4.1
145.10153	1.0
146.03639	4.5
146.07280	6.6
147.04416	13.9
147.08063	5.7
147.11703	3.6
148.05212	5.6
149.02338	5.6
149.06007	2.0
149.09636	3.2
150.06807	0.4
151.03923	7.1
151.07539	9.8
155.06058	1.0
156.09389	0.6
157.03984	0.8
157.06488	3.7
158.07274	1.2
159.04439	0.7
159.08058	0.7
159.11702	0.5
160.01564	0.3
160.08852	0.8
161.05988	100.0
161.09607	21.6
161.13193	1.5
162.03154	1.1
162.06387	0.6
163.03899	2.2
163.07541	5.2
163.11200	4.1
164.04684	6.6
164.08328	0.5
165.05472	0.8
165.09120	3.3
165.12747	1.3
171.08167	0.5
171.11714	1.3
173.05998	0.6
174.03181	1.7
174.06763	6.4
174.08203	0.5
174.10320	0.3
175.03915	10.1
175.07454	1.4
176.08289	1.0
177.05490	2.9
177.09090	0.8
178.06195	0.4
178.07657	0.4
179.03409	17.9
179.07039	6.9
179.08568	0.4
179.10661	0.8
179.14270	0.6
189.05484	1.0
189.09114	31.7
189.12683	3.1
190.09349	0.3
191.03334	0.4
192.04189	3.8
192.07835	0.7
207.02916	11.7
207.06512	19.3
207.10117	8.5
207.13782	7.0
207.17404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03947	0.7
55.01870	0.7
55.05514	1.4
57.03429	0.4
57.07071	0.4
65.03938	1.4
67.05506	1.2
69.03437	2.6
69.07075	1.0
70.78127	0.9
71.04992	0.7
77.03950	0.6
79.05479	2.6
81.03428	0.9
81.07068	1.8
83.04979	1.0
85.02908	1.1
86.62631	0.4
89.03907	1.0
91.05489	20.0
93.07034	2.6
95.04988	0.9
95.08598	1.9
95.83926	0.4
103.05453	2.9
104.06205	0.5
105.03407	0.5
105.07042	9.8
107.04971	2.6
107.08621	2.0
108.05759	0.7
109.06518	3.6
109.10165	1.2
113.43755	0.4
115.05457	6.9
116.06242	1.0
117.07044	2.7
118.04162	3.6
119.04948	15.4
119.08587	7.0
121.02870	0.7
121.06517	5.1
121.10136	4.1
123.04423	0.7
123.08084	3.1
123.11718	0.9
128.06194	2.8
128.71495	0.4
129.03363	1.0
129.07013	5.4
130.07806	0.9
131.04941	6.3
131.08563	3.4
132.02083	0.8
132.05699	2.4
133.02859	0.9
133.06505	9.2
133.10159	2.0
135.08061	0.6
136.05200	1.5
137.05952	0.7
137.09651	0.8
139.07643	0.4
143.04910	1.8
143.05972	0.7
143.08559	0.8
144.05685	1.0
145.06512	2.5
145.10162	1.2
146.03618	2.6
146.04677	0.5
146.07286	6.4
147.04422	10.4
147.08046	7.7
147.11659	2.9
148.05194	3.4
149.02353	3.2
149.06010	2.1
149.09612	7.8
151.07549	9.6
155.06013	0.5
156.09364	1.2
157.04007	0.9
157.06505	1.7
158.07193	0.5
159.04379	0.7
159.08076	0.7
160.05217	1.5
160.08881	0.5
161.05991	100.0
161.09612	18.7
161.13278	2.9
163.03925	1.6
163.07567	2.1
163.11185	1.1
164.04681	3.5
164.08365	0.6
165.09093	0.7
165.12726	2.2
171.11697	2.0
174.03172	0.8
174.06760	2.2
175.03934	9.0
175.07533	8.6
176.08339	43.2
177.05504	2.8
177.09079	2.8
179.07037	4.3
179.10643	0.7
189.09120	20.8
189.12729	5.3
192.04218	2.8
192.07846	4.9
195.07820	0.5
207.06567	10.7
207.10179	29.0
207.13776	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	207.1018
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03934	0.7
55.01876	0.6
55.05511	2.7
57.03448	0.4
57.07085	0.8
59.05017	0.6
65.03963	1.0
67.05513	3.2
69.03437	2.1
69.07079	2.6
70.78558	0.7
71.05007	0.9
77.03950	0.7
79.05492	4.2
81.03423	0.5
81.07066	4.2
83.04992	0.8
83.08598	0.4
85.02921	2.0
85.06559	1.1
89.03932	0.4
91.05490	17.9
93.07050	3.8
95.04980	1.3
95.08617	5.9
103.05489	2.0
105.07041	20.6
107.04960	3.3
107.08598	5.7
108.05784	0.4
109.06528	4.5
109.10176	1.4
111.08100	0.4
115.05471	1.1
116.06256	1.1
117.07011	2.5
118.04176	3.6
119.04946	7.5
119.08591	22.0
120.09344	1.0
121.06529	4.2
121.10154	6.4
123.04433	0.5
123.08072	4.6
123.11699	1.9
125.06002	0.5
128.06238	3.4
129.07028	6.9
130.07790	1.5
131.04947	5.6
131.08574	6.1
132.02022	0.4
132.05695	0.6
133.02818	0.4
133.06534	2.9
133.10143	10.7
135.08118	1.6
135.11702	1.6
136.05199	0.8
137.05966	0.8
137.09605	1.7
141.06979	1.2
143.08556	2.0
144.05719	0.8
145.06488	2.4
145.10115	3.8
146.03673	2.7
146.07277	7.0
146.10925	1.5
147.04405	4.7
147.08073	4.0
147.11699	17.8
148.05209	4.8
149.02333	1.0
149.06033	0.7
149.09639	5.3
151.07564	3.7
155.06076	0.7
156.09369	4.6
157.03970	0.4
157.06506	1.8
158.07321	0.4
159.04442	0.7
159.08043	2.0
159.09216	0.4
159.11656	0.7
160.08806	1.0
161.05995	100.0
161.09625	24.2
161.13263	26.0
162.06396	0.4
163.07600	3.3
163.11183	2.6
164.04652	1.6
164.18631	0.3
165.09073	0.6
165.12770	1.4
171.11732	2.4
174.03160	0.5
174.06805	2.9
174.10358	2.7
175.03931	3.9
179.07054	1.5
189.09132	24.8
189.12750	19.2
192.04095	0.9
207.06569	4.7
207.10393	3.2
207.13818	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	207.1018
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03934	0.4
55.01871	0.6
55.05502	0.9
57.07056	0.4
63.02378	0.3
65.03927	0.9
65.22337	0.2
67.05498	1.1
69.03426	0.8
69.07054	0.7
69.55427	1.8
71.05013	0.3
77.03938	0.4
79.05496	1.8
81.03423	0.7
81.07050	1.1
83.04958	0.5
85.02888	0.3
85.90474	0.2
89.03909	0.4
91.05485	13.5
91.31212	0.2
93.06520	0.3
93.07011	1.6
95.04962	1.0
95.08622	2.4
97.06533	0.4
103.05471	1.8
105.03409	0.3
105.07039	7.9
107.04967	1.8
107.08587	2.1
108.05746	0.3
109.06519	1.3
109.10165	0.6
115.05473	0.9
116.06227	1.1
117.07018	1.7
118.04173	3.7
118.07843	0.3
119.04947	7.1
119.08595	4.2
121.06511	4.0
121.10165	1.8
123.08086	2.1
123.11723	0.6
128.06226	3.0
129.07010	5.9
130.07816	1.2
131.04941	6.9
131.08557	3.2
132.02051	0.4
132.05719	1.0
133.02831	0.7
133.06502	1.5
133.10149	1.8
135.04459	0.3
135.08054	0.8
135.11662	0.5
136.05202	0.6
137.05991	1.0
137.09610	0.9
143.08572	0.9
144.05711	1.1
145.06482	2.1
145.10135	0.4
146.03639	2.5
146.07278	6.5
147.04419	4.1
147.08086	1.9
147.11702	2.9
148.05196	6.0
149.02376	0.8
149.05988	0.4
149.09621	4.1
151.07535	1.3
155.06076	0.6
156.09349	0.8
157.03996	0.4
157.06517	2.0
158.07298	0.6
159.04398	0.9
159.08054	1.0
159.09219	0.5
160.08865	0.7
161.05989	100.0
161.09613	22.3
161.13200	1.9
162.06415	0.6
163.07559	4.9
163.11165	0.6
164.04709	0.8
165.09064	0.5
165.12743	1.5
171.11755	0.6
173.06027	0.3
174.06784	3.6
174.10397	0.9
175.03928	3.8
175.07515	0.3
177.09230	0.3
179.07083	1.2
189.09123	22.9
189.12712	3.9
192.04205	0.8
207.06552	3.8
207.10187	3.5
207.13814	5.7
219.18849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0655
Annotation	Scoparone
Peak:m/z	Relative Intensity
53.03938	2.0
55.01868	3.2
55.05514	1.1
65.03944	6.4
67.05501	3.4
68.99810	2.1
69.03433	1.0
70.74455	1.8
71.04984	1.0
77.03910	1.5
78.04732	1.3
79.05499	5.3
81.03409	1.5
81.07044	2.4
89.03900	1.5
91.05492	54.5
93.03409	3.8
93.07047	4.0
93.87371	0.8
95.04991	8.2
95.08627	1.5
103.05488	6.1
105.03400	2.8
105.07059	4.7
106.04179	1.9
107.04929	2.8
107.08617	1.4
108.05750	4.6
109.06541	2.5
118.04176	6.3
119.04953	59.2
119.08590	4.6
121.02914	4.2
121.06521	7.7
121.10113	1.0
123.04449	7.9
123.08045	4.3
132.02092	2.7
133.02859	1.2
133.05608	1.1
133.06490	5.9
133.10130	2.0
135.04408	2.7
136.05211	18.4
136.89949	0.8
137.05972	2.6
137.09605	1.7
145.68240	1.1
146.03645	13.6
147.04428	47.4
147.08026	1.5
147.11708	2.7
148.05206	1.1
149.01163	1.8
149.02364	34.1
149.06020	5.3
149.09639	2.9
151.07564	17.4
157.04019	1.6
161.05989	5.8
161.09689	1.2
161.13319	1.6
162.03140	1.1
163.03918	10.5
164.04701	47.0
165.12744	2.3
171.11679	1.1
174.03137	9.9
175.03918	24.9
177.05522	3.6
179.07053	34.7
189.05440	1.2
189.12746	4.4
189.16370	1.5
190.02693	2.1
191.03435	2.3
192.04176	16.4
192.09315	1.0
204.26178	0.9
207.06554	100.0
207.13826	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	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03942	1.5
55.01867	0.7
55.05281	0.6
55.05515	8.1
55.93530	1.6
57.03428	0.8
57.07079	13.4
57.34400	0.6
59.03841	0.7
61.40974	0.6
65.03939	5.3
67.05232	0.7
67.05511	6.4
69.03474	1.0
69.07074	13.3
71.06107	1.8
71.08624	1.0
71.93005	1.5
72.93408	1.2
72.93795	16.1
79.05499	7.9
81.07062	24.2
83.08624	6.0
89.94016	1.1
90.94840	4.8
91.05479	6.4
93.03413	2.0
93.07047	26.2
95.04960	1.1
95.08617	21.9
97.02887	2.1
97.10166	4.5
99.94857	3.0
105.07036	7.7
107.04935	1.1
107.08602	28.0
109.06524	1.0
109.10165	18.1
111.04434	1.3
111.11716	2.0
113.96409	40.7
114.52696	0.6
115.94297	1.4
117.07031	2.4
119.08595	7.5
121.02869	14.0
121.03955	2.5
121.06533	1.7
121.10153	39.6
123.08075	0.8
123.11717	8.5
125.77232	0.7
127.05878	1.3
130.37158	0.6
131.08594	4.3
131.97450	22.4
133.10118	3.7
133.95386	0.9
135.08134	1.5
135.11708	14.8
135.57121	0.6
145.06433	1.2
145.10129	10.3
147.11725	3.5
149.02351	100.0
149.09663	1.7
149.13269	24.1
150.02707	1.7
154.99049	7.0
159.11722	4.6
161.13264	2.7
163.11223	2.3
163.14844	5.4
172.12520	0.8
173.05997	1.0
174.13934	0.8
175.14816	4.7
177.12766	1.1
177.16409	3.5
181.97890	0.8
187.14853	8.4
205.08676	1.6
205.12215	2.5
205.14189	3.2
205.15913	17.5
205.19534	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	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03949	4.1
55.05517	14.2
57.03438	3.1
57.07075	11.3
65.03943	3.3
67.05503	15.0
69.07073	32.3
69.67226	4.0
69.67628	10.8
71.08638	2.4
72.93793	3.4
79.05499	16.0
81.07068	26.8
83.04987	3.1
83.08632	14.3
85.06561	2.6
89.38237	2.0
91.05478	22.9
93.07051	35.1
95.04947	2.1
95.08615	41.3
97.06550	2.2
97.10122	2.6
105.07039	36.6
107.08597	89.3
108.40604	2.0
109.06507	4.5
109.10159	15.9
111.08108	4.6
112.16268	1.7
113.96416	10.3
115.05534	2.5
117.07024	18.0
119.08591	68.6
119.82217	1.8
121.06493	4.2
121.10155	90.1
123.08061	8.8
123.11704	5.0
129.06978	3.8
130.07794	5.1
131.08577	28.3
131.97450	3.0
133.10133	54.9
135.08069	7.9
135.11722	20.8
143.08545	12.8
144.09320	2.4
145.10139	85.2
147.11690	16.7
149.02351	20.1
149.09590	7.3
149.13251	14.0
157.10126	9.0
158.10988	9.9
159.11691	25.7
160.12459	3.8
161.13260	12.9
163.11195	38.0
163.14803	13.0
172.12463	9.3
174.14075	6.0
175.11244	2.4
175.14844	83.1
177.16394	42.4
187.14832	65.3
205.14206	8.7
205.15900	100.0
205.19502	6.9
219.15771	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
51.95493	1.9
53.03929	1.7
53.17467	1.6
53.29365	1.6
55.05524	9.7
57.03447	2.1
57.07076	4.7
59.05005	2.2
60.13153	2.0
67.05489	8.7
69.07074	31.8
70.72575	5.6
79.05495	11.3
79.80906	2.1
81.07066	15.9
83.04956	3.1
83.08610	12.8
84.06383	1.7
91.05492	13.9
93.07050	27.1
95.05033	2.4
95.08616	38.2
97.10149	2.4
98.65188	2.0
101.71980	1.7
103.05469	2.0
105.07043	31.6
107.08598	71.1
109.06525	2.8
109.10159	11.0
111.08100	4.1
115.05469	2.0
117.07034	14.9
119.07723	2.0
119.08586	55.1
121.06492	5.2
121.10151	63.5
123.08053	7.3
123.11672	4.4
128.06236	2.5
129.07024	3.6
130.07793	5.3
131.08592	21.4
133.10141	42.1
135.08025	8.5
135.11703	15.6
143.08531	4.6
144.09366	3.8
145.10139	76.0
147.11690	15.7
149.02351	8.0
149.09608	8.3
149.13269	9.5
157.10127	7.7
158.10934	7.7
159.11694	19.1
161.13271	10.1
163.11191	35.3
163.14838	10.3
172.12436	6.2
174.14037	4.8
175.14838	68.6
177.15013	3.2
177.16418	34.5
187.14836	55.3
190.13588	1.9
205.15891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
51.65070	1.5
55.01868	1.8
55.05511	13.5
55.62981	1.9
57.07063	6.7
58.60031	1.8
59.05011	2.5
67.05532	8.7
69.06737	2.7
69.07076	33.9
69.47870	6.8
69.48291	6.2
79.05500	15.4
81.07054	14.0
83.04967	3.5
83.08623	10.3
85.06548	2.2
91.05490	20.0
93.06493	2.7
93.07047	39.1
95.04926	2.0
95.08617	37.9
97.06561	2.0
97.10148	2.7
102.89017	1.7
103.05450	6.0
105.07038	38.5
106.35014	1.6
107.08604	84.7
109.06516	4.3
109.10181	12.7
111.08068	3.6
115.05462	35.8
117.07025	55.5
119.08590	67.3
121.06527	3.8
121.10155	75.1
123.08072	7.5
123.11667	3.5
127.18835	1.7
129.07036	4.6
130.04115	3.7
130.07794	6.9
131.04903	3.5
131.08588	24.5
133.10139	47.6
135.08066	8.1
135.11708	18.6
137.09608	2.2
143.08562	10.0
144.09349	3.0
145.06497	59.9
145.10133	90.0
147.11705	16.8
149.02342	7.6
149.09631	10.1
149.13297	9.3
152.99057	1.9
155.06039	16.3
157.10147	7.5
158.10913	7.5
159.11710	26.5
160.12384	2.1
161.05969	3.2
161.13277	17.0
163.11198	54.8
163.14859	14.5
172.12480	6.3
173.05997	39.2
173.07259	1.2
174.14024	4.1
175.13309	3.7
175.14836	75.7
177.16394	35.6
187.14825	58.3
190.06267	7.8
205.08609	12.5
205.15894	100.0
205.19298	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	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03933	2.3
53.94158	1.8
55.01840	2.2
55.05510	11.4
56.92091	1.4
57.07059	7.6
59.04990	2.3
65.03936	3.8
67.05504	9.9
69.03428	2.7
69.07076	26.2
69.45003	12.1
69.45421	2.9
71.04990	2.5
79.05495	12.5
81.07061	15.1
83.04981	4.0
83.08627	10.4
91.05473	24.3
93.07050	30.0
95.04963	2.6
95.08618	31.8
97.02908	2.0
97.06522	1.9
99.08060	2.0
103.05454	10.0
105.07033	31.7
107.05009	3.6
107.08600	62.7
109.06515	7.5
109.10168	12.1
111.08070	2.6
115.05459	62.3
117.07024	72.9
119.08588	51.3
121.02840	2.9
121.06516	5.0
121.10145	54.0
123.08063	8.9
123.11696	5.4
127.05405	2.2
128.06224	3.6
129.07028	4.9
130.04138	7.7
130.07777	4.4
131.04921	3.4
131.08572	20.9
133.10132	37.7
135.08044	9.1
135.10851	1.9
135.11714	15.5
137.05927	2.5
137.09561	3.2
143.04900	2.8
143.08557	7.1
144.05669	2.1
144.09319	3.8
145.06496	100.0
145.10135	73.5
147.04408	3.2
147.08011	2.3
147.11705	13.6
149.02357	27.4
149.05943	2.7
149.09645	11.0
149.13292	8.5
155.04895	2.8
155.06049	26.8
157.10135	7.2
158.10982	4.3
159.08104	2.7
159.11707	24.7
161.06003	5.2
161.13257	20.2
163.03891	2.5
163.11209	32.1
163.14851	15.9
172.12456	5.7
173.05995	61.1
174.14067	2.6
175.07541	1.9
175.14828	48.2
177.16396	29.3
187.11151	2.3
187.14835	52.3
190.06253	10.0
205.04758	2.3
205.08655	23.0
205.12282	6.4
205.14371	3.3
205.15880	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03933	1.6
55.05513	13.7
57.03433	2.9
57.07079	8.2
59.04988	2.7
65.03935	1.8
67.05511	11.5
69.03410	2.6
69.06734	2.0
69.07072	22.0
69.16271	3.8
69.16684	8.8
71.04982	1.9
72.93765	1.3
79.05491	13.0
81.07062	22.4
83.04977	5.3
83.08620	8.1
85.06538	3.6
86.93485	1.1
91.05476	15.8
93.07047	24.4
95.04942	2.3
95.08610	36.8
97.06519	5.0
97.10141	2.5
99.08077	4.6
105.07034	44.3
107.05006	1.2
107.08602	57.3
109.06512	9.5
109.10148	17.3
111.08075	5.3
113.96404	5.5
117.07015	11.0
119.08587	55.6
119.09248	0.9
119.09471	1.4
120.97076	1.2
121.02901	2.3
121.06528	8.4
121.10149	50.8
123.08070	23.2
123.11734	8.8
126.51381	1.1
129.06958	2.2
130.07794	4.2
131.08569	14.5
131.97441	2.0
133.10136	35.4
135.08072	13.5
135.11703	15.2
137.09636	2.8
143.08594	8.4
144.09340	2.2
145.10130	73.9
147.08044	1.4
147.11696	25.2
149.02347	18.3
149.09621	11.8
149.13268	9.6
157.10083	6.4
158.10925	6.0
159.11702	18.8
161.09615	1.5
161.13266	40.2
162.10442	1.8
163.11195	12.5
163.14830	26.0
172.12454	7.1
174.14056	2.8
175.14842	20.9
177.12766	2.1
177.16382	14.2
187.14825	59.7
205.15891	100.0
205.19492	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	205.1588
Annotation	Mayurone
Peak:m/z	Relative Intensity
53.03960	2.5
55.01857	2.8
55.05521	17.9
57.07066	8.5
65.03942	2.5
66.02957	1.9
67.05489	10.0
69.07075	30.0
70.62736	4.2
70.63093	4.3
72.78841	2.2
79.05512	14.5
81.07056	16.6
83.04967	4.6
83.08623	13.8
91.05480	15.1
93.07056	31.4
95.04987	3.1
95.08610	41.6
97.06474	2.3
105.07036	29.7
107.08601	81.7
107.56832	2.4
109.10175	11.9
109.44901	2.0
113.96393	10.3
117.07037	17.7
119.08592	58.2
120.10312	2.2
121.02862	2.2
121.06487	5.1
121.10155	72.6
123.08062	3.5
129.06964	3.1
130.07774	6.3
131.08563	19.7
133.10129	48.6
135.08063	4.0
135.11708	19.5
137.09593	2.2
143.08578	12.6
144.09282	4.6
145.10127	78.3
147.11679	12.0
149.02333	9.0
149.09587	6.0
149.13300	12.7
157.10117	7.2
158.10887	7.4
159.11682	21.2
160.12534	3.4
161.13246	9.2
163.11192	72.3
163.14853	10.4
172.12465	4.6
175.14838	82.3
177.16402	37.9
187.14815	58.5
205.15892	100.0
205.19501	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	205.1588
Annotation	Khusitone
Peak:m/z	Relative Intensity
51.00494	1.3
55.01852	3.6
55.05516	11.8
57.03435	1.6
57.07065	4.9
59.47933	1.5
65.03911	2.1
67.05526	7.1
69.07074	21.9
69.50673	10.7
70.78425	1.4
79.05489	12.7
81.07050	7.9
83.04961	3.5
83.08639	10.6
86.19057	1.5
91.05490	15.1
93.06495	2.2
93.07050	33.2
95.08611	28.3
97.06497	3.7
105.07028	24.3
107.08600	70.4
109.06506	3.3
109.10158	12.0
111.08022	1.5
113.96385	4.4
117.07006	12.1
119.08583	47.5
121.06496	3.7
121.10147	71.6
123.08053	6.3
123.11703	2.4
128.06189	1.5
129.06999	2.5
130.07780	3.3
131.08569	13.9
132.58652	1.7
133.10147	28.4
135.08070	4.1
135.11691	17.0
137.09587	3.1
143.08549	5.3
145.10133	47.6
147.08081	1.7
147.11658	9.9
148.08757	1.6
149.02330	5.7
149.09634	14.8
149.13240	6.9
157.10136	6.6
158.10854	3.4
159.11702	13.1
161.13263	13.8
163.11189	100.0
163.14819	13.2
172.12489	5.2
174.14061	2.5
175.14844	43.8
177.16382	21.0
187.13168	2.6
187.14825	37.5
190.26173	1.6
205.15886	75.1
205.19437	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	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
54.19737	2.2
55.05516	12.5
55.05731	2.2
57.07063	7.8
67.05505	8.2
69.07067	31.2
69.48013	16.7
69.48334	3.8
79.05505	16.4
81.07042	16.2
83.04994	5.9
83.08617	9.3
91.05489	17.5
93.07050	35.1
95.08603	40.8
97.26810	2.2
105.07036	37.2
107.08598	82.1
109.06525	5.6
109.10159	15.1
110.54949	2.4
111.08138	3.3
117.07033	17.3
119.08587	68.8
121.06499	4.6
121.10152	81.7
123.08062	10.5
123.11715	4.4
129.06990	4.4
130.07779	5.7
131.08566	24.2
133.10139	44.7
135.08047	11.5
135.10001	2.4
135.11722	15.4
137.09668	3.2
143.08560	8.1
144.09270	3.3
145.10135	89.0
147.11697	13.1
149.02405	5.2
149.09641	12.4
149.13220	8.0
157.10143	7.6
158.10933	6.8
159.11713	21.4
161.09729	3.2
161.13246	17.7
163.11191	69.4
163.14793	13.8
172.12489	6.6
174.14063	5.0
175.14822	77.5
177.16379	30.6
187.14835	58.9
205.15887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02375	0.6
53.03946	4.0
55.01870	1.1
55.05504	0.8
56.96570	0.6
57.07078	5.2
60.04508	0.8
61.02929	0.4
65.03951	2.0
67.05511	1.1
68.99786	0.6
69.03437	1.9
69.07056	0.7
71.06125	0.9
71.08207	0.7
77.03938	1.1
78.95278	0.5
79.05499	1.8
81.03423	2.0
81.07055	1.4
83.04990	1.1
84.04506	0.5
85.02921	1.6
85.04843	0.6
85.06544	0.7
91.05489	17.7
91.68547	0.4
93.03411	0.6
93.07051	60.0
94.07369	0.4
95.04971	5.6
95.08607	0.6
96.04532	0.5
97.02901	4.0
97.04805	0.5
98.03216	0.9
99.04468	0.7
101.59306	0.4
103.05469	4.9
105.04504	2.3
105.07027	3.3
107.04918	0.5
107.08598	1.3
109.02898	1.7
109.06527	0.8
110.80113	0.3
111.04414	0.7
115.05416	2.7
116.06256	0.5
117.07011	4.6
118.06578	0.7
119.04913	0.6
119.08581	2.6
119.79206	0.4
119.97903	0.7
120.08125	0.4
121.02907	5.1
121.06512	100.0
121.10149	1.1
123.04423	2.5
123.08069	0.4
127.03910	0.9
127.05871	0.6
128.06233	0.4
129.07031	1.4
131.04933	3.5
131.08601	2.8
133.06552	0.5
133.10126	1.2
135.04382	0.6
135.08104	1.8
135.11714	0.9
137.06039	0.6
139.03897	0.5
141.06999	0.6
143.08659	0.4
144.05656	0.5
144.09309	1.4
145.06516	3.8
145.10089	3.4
146.06024	0.7
147.04411	1.3
147.08057	1.2
149.02353	35.2
149.05923	1.7
149.09628	0.7
150.03075	0.4
155.06062	0.6
159.04460	1.9
159.08083	1.0
159.11685	4.1
161.06020	2.7
161.09631	0.7
162.05499	1.6
163.03917	0.8
163.05876	6.7
163.07504	1.0
163.11110	2.0
172.08795	0.7
173.06006	1.1
175.07581	0.6
177.05513	2.1
177.09105	1.7
177.12810	2.1
179.00143	0.5
181.97887	0.7
187.03827	0.7
187.07568	1.5
187.11211	1.5
188.07074	1.0
191.05356	1.3
193.07178	0.4
197.01250	0.4
205.04976	3.9
205.06847	2.8
205.08694	5.5
205.12267	15.7
205.14127	1.9
205.15913	1.7
211.74001	0.3
221.34842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.05514	100.0
56.96555	0.4
57.07075	2.9
58.99590	6.4
60.04523	0.6
65.03944	1.1
68.04990	0.4
69.03405	0.6
70.80784	1.2
74.41011	0.3
79.05484	0.6
81.03384	0.4
83.08623	72.7
85.02900	1.0
86.99059	7.2
91.05492	0.8
93.07059	0.5
97.02896	1.0
97.04852	0.4
101.09676	2.5
103.05460	0.8
104.16108	0.3
105.00101	5.0
105.07014	0.7
107.26395	0.3
109.02862	0.5
115.05420	0.5
117.07039	0.7
118.06596	0.4
119.08585	0.6
121.02848	2.2
121.06507	1.1
121.10120	0.4
123.04431	0.4
131.04953	1.0
131.08569	0.8
145.06488	0.8
145.10065	0.6
146.06012	1.3
147.04376	0.4
149.02350	18.7
149.05936	0.5
159.08040	0.6
159.11685	0.9
163.03896	0.5
163.96758	0.4
173.06007	0.5
177.05466	0.7
177.09111	0.7
177.12836	0.4
181.97899	0.7
187.03940	0.6
187.07574	0.5
188.07089	0.5
205.04883	1.2
205.06769	0.3
205.08727	1.2
205.12167	1.5
205.14047	0.7
205.15846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03922	1.1
55.05504	2.2
57.03437	0.9
57.07069	2.4
62.37635	0.7
65.03943	2.0
67.05497	2.1
68.61659	0.6
69.03437	5.3
69.07062	1.4
70.83455	1.4
71.04990	3.7
75.72575	0.7
79.05492	5.6
80.07491	0.6
81.03422	0.7
81.07067	4.5
83.04978	2.6
85.02939	1.1
87.04452	0.6
90.61629	0.6
91.05493	11.1
93.07060	4.1
95.04936	1.1
95.08622	1.2
97.02887	2.3
97.06532	1.6
98.03262	0.7
99.04446	1.9
101.11586	1.2
103.05469	3.3
104.06225	0.6
105.07042	27.3
107.04953	2.0
107.08598	6.6
109.06523	8.3
111.04443	1.4
115.05421	3.7
116.06239	1.8
117.07030	14.8
119.08593	11.5
121.02865	2.8
121.03774	0.6
121.06520	7.4
121.10139	3.3
128.06207	2.3
129.07033	7.4
130.07787	9.3
131.04961	2.0
131.08582	13.1
133.06436	1.9
133.10161	3.4
135.08095	4.1
135.11749	1.8
143.08594	5.1
144.09355	8.8
145.06502	6.2
145.10136	100.0
146.10742	1.1
147.08061	4.8
149.02354	16.1
149.05946	1.7
149.09634	2.8
149.13280	1.7
154.07805	0.9
155.06006	0.8
157.10190	2.1
159.04442	1.0
159.08061	2.4
159.11705	39.1
161.06004	14.6
161.09639	4.1
162.10435	0.7
163.07533	3.0
163.11198	14.2
169.10141	2.5
172.08893	5.8
173.05969	2.4
175.07558	1.3
177.05435	0.8
177.09155	1.6
177.12756	10.7
178.05042	0.8
187.03894	1.4
187.07602	1.3
187.11198	22.2
188.08250	0.9
190.09927	0.8
205.04892	1.4
205.06813	1.1
205.08765	7.9
205.12270	38.5
205.14044	1.5
205.15871	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05515	10.0
57.07072	2.9
57.68242	1.7
58.29284	1.4
61.12778	1.4
67.05514	19.3
68.05005	1.7
69.06806	1.2
69.07076	13.5
79.05505	13.7
81.07059	29.3
83.08636	2.6
84.04501	3.1
91.05484	18.5
93.07057	21.7
95.08613	60.9
96.04493	4.1
97.02898	4.2
99.48971	1.5
105.07036	65.0
107.08599	37.4
109.10170	42.3
110.05945	1.5
111.96872	2.5
114.05565	2.1
115.05469	1.5
117.07022	2.6
119.08591	48.5
121.10160	17.3
123.11740	8.6
126.05524	5.3
128.96671	1.6
129.97820	1.5
131.08597	5.0
133.09142	2.6
133.10144	51.8
135.11703	4.8
142.07690	1.9
143.08553	2.6
145.10095	3.1
147.08054	1.7
147.11693	59.4
157.10135	2.8
159.11751	2.8
161.09584	3.9
161.13278	23.9
170.10992	2.0
174.14075	1.8
175.14847	9.1
185.09668	1.6
185.13269	3.8
190.09003	1.8
203.10713	2.3
203.14389	14.5
203.17976	100.0
204.08560	3.6
204.13864	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	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03932	0.8
55.05517	6.3
57.07079	1.2
60.55767	0.6
67.05510	17.0
69.06799	0.7
69.07074	8.3
70.01442	3.4
78.30011	0.7
79.05502	7.1
81.07059	35.1
83.04980	0.7
83.08614	3.2
91.05494	11.9
93.07043	16.8
95.08611	55.5
103.05444	1.8
103.22176	0.7
104.06287	1.0
105.07034	39.3
107.08601	32.5
107.09226	0.6
109.10161	34.1
112.22475	0.7
115.05470	6.7
117.07021	5.9
119.08585	37.4
121.10148	13.7
123.11723	7.5
128.06165	1.3
129.06987	1.7
131.04930	1.9
131.08566	3.0
132.05740	3.8
133.09129	1.5
133.10141	27.5
135.11697	2.9
143.04907	2.7
143.08539	1.4
144.05682	1.2
145.06483	3.9
145.10117	4.2
147.08104	2.5
147.11688	47.2
155.06081	1.1
157.06483	0.8
157.10081	1.3
159.11681	2.5
160.05211	9.8
161.09608	1.5
161.13271	19.0
171.04390	1.8
173.13347	1.3
175.07568	10.4
175.14804	9.4
185.13266	1.7
188.04703	6.2
203.07002	13.7
203.08464	1.0
203.10709	1.4
203.14456	6.5
203.17967	100.0
204.18301	1.5
219.14552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03948	1.5
53.85696	1.3
55.01863	2.7
55.05514	10.3
57.07066	3.2
65.52525	1.1
67.05508	19.7
69.07072	14.5
71.15865	1.7
73.74982	1.2
79.05488	10.6
79.68394	1.7
79.85395	1.3
81.07059	28.8
83.08609	5.9
91.05482	22.6
93.07041	19.8
95.08611	43.7
96.04488	1.4
97.10154	1.8
98.20872	1.4
101.56177	1.4
105.07039	65.7
107.08601	30.8
109.10162	41.8
115.05449	13.1
117.07003	7.6
118.58234	1.5
119.08587	52.9
121.10148	14.8
123.11700	5.1
128.06218	2.7
129.07036	3.1
131.04965	3.5
131.08592	7.2
132.05707	6.3
133.06432	1.9
133.10135	60.2
135.11708	4.8
142.07805	1.6
143.04915	5.9
143.08563	3.9
144.05688	1.3
145.06517	3.8
145.10153	7.8
147.08031	3.9
147.11699	53.1
148.12428	1.5
157.10138	4.7
159.11708	6.6
160.05215	18.3
160.12451	3.2
161.05959	2.4
161.09589	3.4
161.13292	22.2
170.10948	1.6
171.04436	3.5
173.05981	1.6
173.13220	2.1
174.10382	1.6
175.07565	28.6
175.14859	10.9
185.13329	3.1
188.04713	5.0
203.07028	31.3
203.10707	4.3
203.14362	14.8
203.17972	100.0
204.13866	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05515	10.8
57.07064	2.3
67.05511	12.4
69.07071	12.6
69.28457	8.4
79.05504	4.8
81.07065	16.1
83.08614	3.7
84.04503	1.2
91.05490	14.6
93.07051	11.4
94.63798	0.8
95.04940	1.0
95.08615	42.0
96.04514	1.0
97.10174	2.1
105.07042	41.7
107.07887	1.6
107.08597	25.7
108.56283	0.8
109.10166	29.0
111.96874	2.4
115.05429	1.2
117.06997	3.1
119.08590	57.4
121.10155	12.5
123.11693	4.3
126.05485	1.2
131.08583	5.7
133.10144	67.0
135.11690	3.9
143.08533	1.4
145.10127	8.0
146.10844	0.8
147.08043	1.3
147.11694	51.2
148.12170	0.8
154.09886	0.9
154.23581	0.9
157.49138	0.9
159.11716	6.8
160.12492	2.7
161.09656	1.0
161.13275	24.5
170.10889	1.0
173.13304	1.2
174.14059	3.6
175.14828	7.9
185.13312	1.8
188.15535	1.4
203.14328	4.8
203.17973	100.0
204.08559	0.9
204.13922	1.5
204.18344	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.63560	1.1
53.03944	1.7
55.05514	12.7
57.07079	3.3
57.28429	1.3
67.05186	1.9
67.05511	22.6
69.07067	15.7
70.30742	4.2
71.45751	1.4
79.05507	11.6
81.07065	27.1
83.08627	5.5
84.04501	1.4
91.05483	20.4
93.07045	21.0
95.08614	52.3
97.10165	1.2
99.43201	1.3
103.05474	2.4
105.07039	63.0
107.08601	31.2
109.10168	40.2
109.10751	0.8
115.05469	14.6
117.07018	5.7
119.08591	59.7
121.10158	21.7
121.10947	2.1
123.11715	5.4
128.06253	2.0
129.07013	1.4
131.04941	3.5
131.08594	3.9
132.05719	7.3
133.10139	68.1
135.11703	3.9
143.04939	6.9
143.08516	2.3
144.05653	1.7
145.06502	3.7
145.10147	9.5
147.08025	3.5
147.11707	59.7
157.10156	2.3
159.11713	5.6
160.05206	24.3
160.12537	3.2
160.68410	1.2
161.05983	1.3
161.09688	3.4
161.13289	21.7
171.02982	1.4
171.04407	3.0
173.13321	1.8
175.07556	34.4
175.14890	10.2
185.13286	2.0
188.04707	5.3
203.05113	2.1
203.07030	34.2
203.08800	2.3
203.10562	2.7
203.14433	11.2
203.17982	100.0
213.41107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05510	16.0
55.98907	1.7
57.07080	2.9
67.05505	28.1
68.05010	2.1
69.03413	2.0
69.07072	19.1
69.74916	8.2
77.03894	2.1
77.57297	1.7
79.05496	17.6
81.07059	36.4
83.08609	6.6
84.04496	4.5
85.02888	3.1
87.31792	1.8
91.05482	33.2
93.07041	26.8
95.08610	54.1
96.04481	3.6
97.02878	5.3
97.10183	2.7
105.07034	99.1
107.08586	38.3
109.10160	48.0
114.05546	2.3
117.07009	3.0
119.08582	79.1
120.96560	2.1
121.10152	18.0
123.11700	5.5
126.05533	9.2
131.08546	5.6
133.10135	85.0
135.11681	7.7
145.10106	7.2
147.11685	76.4
159.11700	4.0
161.08266	2.0
161.13271	38.6
174.13924	2.4
175.14806	12.6
203.17963	100.0
204.08682	7.2
204.13820	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	203.1796
Annotation	alpha-Curcumene
Peak:m/z	Relative Intensity
55.05518	13.6
65.03923	1.5
67.05186	1.5
67.05515	19.3
69.06741	1.7
69.07075	19.3
69.50671	4.2
69.51103	5.2
79.05508	11.0
81.07058	22.0
83.08620	3.4
91.05492	22.9
93.07048	20.8
95.08617	41.1
96.04509	2.0
97.10185	2.0
105.07037	71.0
107.08595	28.9
109.10165	34.1
117.07001	2.6
119.08594	66.2
121.10159	14.6
123.11714	5.5
131.08586	6.9
133.06465	1.5
133.10144	70.3
135.11714	4.1
138.36491	1.5
143.08563	2.5
145.10107	7.6
147.08055	1.8
147.11700	51.5
157.10144	1.9
157.27602	1.3
159.11745	7.4
160.12444	2.9
161.09616	5.7
161.13258	30.2
174.14032	3.3
175.14838	10.4
185.13235	4.2
203.10774	1.5
203.14426	10.0
203.17970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0704
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
53.03954	0.6
54.76215	0.3
55.01878	0.7
55.05513	2.1
57.07071	0.6
60.87442	0.3
65.03935	0.5
67.05514	3.6
69.03436	0.6
69.07078	3.4
79.05502	2.3
81.07066	6.4
83.05007	0.8
83.08614	0.8
87.49820	0.4
91.05503	6.0
93.04577	0.4
93.07045	4.4
95.04966	0.6
95.08619	8.6
98.21538	1.0
103.05470	0.8
104.06258	0.9
105.07041	11.8
107.04967	0.5
107.08607	5.8
109.06544	0.6
109.10159	6.2
115.04708	0.7
115.05466	9.8
116.06257	0.5
117.07030	3.1
119.04978	0.6
119.08592	12.8
121.06531	0.4
121.10150	4.6
123.08095	0.4
123.11741	1.1
126.05540	0.5
128.06221	3.3
129.07016	2.1
130.07771	0.5
131.04959	2.7
131.08614	2.4
132.05721	10.4
133.06476	1.1
133.10144	11.9
135.11705	0.6
141.07025	0.5
142.07802	1.4
143.04941	8.6
143.08546	3.5
144.05721	1.3
145.06470	1.5
145.10168	3.8
147.04413	1.0
147.08110	2.8
147.11707	10.9
157.06512	1.0
157.10135	2.1
159.11725	2.0
160.05209	65.8
160.12506	1.1
161.05998	3.6
161.09656	2.5
161.13271	5.5
170.10838	0.7
171.04379	1.9
171.08102	2.0
172.05205	0.7
173.05977	0.6
173.13239	0.8
175.07559	40.4
175.11134	1.1
175.14809	2.3
175.47325	0.4
185.05923	0.7
185.09662	0.6
185.13258	1.8
188.04700	9.4
188.08298	0.6
188.12009	0.6
189.00212	0.4
203.07047	100.0
203.10551	7.3
203.14317	7.2
203.17972	20.6
204.07350	0.5
213.72861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	0.5
69.07062	0.6
71.49287	0.5
81.03392	0.4
81.07062	0.9
84.57350	0.4
91.05486	1.7
93.07069	0.5
95.08607	1.2
97.02906	0.5
104.06261	0.5
105.07072	2.0
107.08624	1.0
109.10171	0.7
115.05468	9.3
117.07019	1.2
119.08595	3.0
121.10181	0.4
123.37038	0.4
128.06247	1.3
129.07001	0.8
131.04912	2.2
131.08553	0.8
132.05724	10.3
133.06490	0.7
133.10168	2.0
142.07797	0.9
143.04939	7.7
143.08571	1.1
144.05742	0.8
145.06506	0.9
145.10149	0.7
147.04393	0.8
147.08073	1.2
147.11703	1.4
157.06470	0.7
157.10175	1.0
159.11771	0.5
160.05214	60.8
161.05992	5.9
161.09657	1.2
161.13297	0.8
171.04480	1.2
173.06099	0.6
175.07570	32.4
175.14967	0.5
185.09639	0.8
185.13316	0.5
188.04698	7.6
188.08434	0.5
203.07050	100.0
203.10759	2.6
203.14360	2.3
203.17973	1.8
204.07347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0705
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
67.05482	0.5
69.07062	0.6
71.49287	0.5
81.03392	0.4
81.07062	0.9
84.57350	0.4
91.05486	1.7
93.07069	0.5
95.08607	1.2
97.02906	0.5
104.06261	0.5
105.07072	2.0
107.08624	1.0
109.10171	0.7
115.05468	9.3
117.07019	1.2
119.08595	3.0
121.10181	0.4
123.37038	0.4
128.06247	1.3
129.07001	0.8
131.04912	2.2
131.08553	0.8
132.05724	10.3
133.06490	0.7
133.10168	2.0
142.07797	0.9
143.04939	7.7
143.08571	1.1
144.05742	0.8
145.06506	0.9
145.10149	0.7
147.04393	0.8
147.08073	1.2
147.11703	1.4
157.06470	0.7
157.10175	1.0
159.11771	0.5
160.05214	60.8
161.05992	5.9
161.09657	1.2
161.13297	0.8
171.04480	1.2
173.06099	0.6
175.07570	32.4
175.14967	0.5
185.09639	0.8
185.13316	0.5
188.04698	7.6
188.08434	0.5
203.07050	100.0
203.10759	2.6
203.14360	2.3
203.17973	1.8
204.07347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05514	1.4
57.07080	2.1
65.03942	0.4
67.05511	1.7
69.07069	2.5
70.54551	0.4
70.88275	1.0
77.79353	0.3
79.05493	3.0
81.07059	4.5
83.08627	0.5
91.05483	7.5
93.07043	3.6
95.08608	5.4
103.05520	0.5
105.07031	7.5
107.08607	6.7
109.10172	1.1
115.05460	1.4
116.06226	2.0
117.07024	4.6
119.08585	5.3
121.10110	2.0
128.06241	1.1
128.14178	0.4
129.07004	3.7
130.07776	3.3
131.08574	59.3
133.10141	11.3
139.52869	0.4
142.07768	1.0
143.08591	3.9
144.09357	3.2
145.10133	31.8
146.10881	1.4
147.11658	0.9
147.92000	0.4
156.09377	0.9
157.10141	10.5
158.10896	2.1
159.11702	44.8
171.11699	5.0
172.12505	7.2
173.13281	16.5
186.14052	9.3
201.09105	1.4
201.16391	100.0
202.16768	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03952	0.9
54.15700	0.6
55.05523	3.2
57.07082	1.8
59.58073	0.5
65.03938	0.6
67.05511	4.5
69.07074	3.3
70.49990	1.2
70.50358	1.0
71.08640	1.4
75.54954	0.5
76.42189	0.5
79.05505	6.8
81.07053	5.0
91.05489	12.0
93.07048	8.0
95.08614	12.9
103.05499	0.9
105.07040	11.9
107.08600	11.9
109.10175	1.9
115.05457	1.6
116.06248	3.6
117.07032	8.1
119.08588	11.9
121.10147	3.9
128.06198	1.0
129.07024	4.4
130.07779	3.9
131.08575	91.6
131.55119	0.6
132.09138	0.5
133.10136	19.9
134.10484	0.6
137.11963	0.6
143.08585	4.2
144.09375	4.1
145.10130	34.2
146.10915	1.3
147.11719	1.4
157.10133	13.2
158.10904	2.9
159.11699	49.5
160.12413	1.0
171.11714	5.8
172.12473	9.0
173.13275	15.2
186.14044	3.2
201.16396	100.0
202.16766	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	201.164
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
51.08967	0.2
53.03957	0.4
55.05522	1.8
57.07078	1.1
57.68394	0.3
57.98677	0.3
67.05507	2.3
69.07072	2.7
71.08638	0.5
71.49717	0.3
77.03956	0.3
79.05490	2.4
81.07069	4.7
82.66009	0.2
91.05489	8.6
93.07053	4.4
95.08617	6.5
103.05497	0.4
105.07040	8.5
107.08601	6.9
109.10189	0.9
115.05434	1.5
116.06239	1.9
117.07030	6.0
119.08597	7.2
121.10146	2.3
128.06201	0.8
129.07005	4.3
130.07802	4.4
131.08577	62.9
132.08904	0.8
133.10143	12.2
141.06908	0.4
142.07809	1.2
143.08568	4.4
144.09355	4.0
145.10138	32.8
146.10872	1.3
147.11705	1.1
147.67172	0.3
155.08513	0.4
156.09302	0.4
157.10143	11.1
158.07184	0.3
158.10916	2.5
159.11707	47.6
160.12109	0.9
161.67374	0.3
171.11702	4.5
172.12480	7.9
173.13275	16.9
174.13628	0.5
185.13387	0.4
186.12367	0.5
186.14050	9.2
187.14110	0.3
199.14755	0.5
201.09169	1.5
201.16399	100.0
202.16780	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03948	0.7
55.05508	2.8
55.75929	0.6
56.62157	0.5
57.07071	1.9
57.22350	0.5
57.69925	0.6
67.05507	4.2
69.07077	3.4
69.42554	4.2
79.05497	7.0
81.07054	5.6
83.08626	0.7
91.05479	10.5
93.07040	7.5
95.08608	9.6
103.05464	0.9
105.07031	11.9
107.08597	8.8
109.10213	0.6
115.05472	1.2
116.06223	2.6
117.07028	7.4
118.45615	0.7
118.96760	0.9
119.08585	11.6
121.10107	3.3
128.06255	1.3
129.06990	4.7
130.07788	3.9
131.08569	90.6
132.08891	1.0
133.10129	16.1
142.07735	1.7
143.08553	6.3
144.09358	4.7
145.10126	34.8
146.10884	0.9
147.11678	1.2
156.09364	1.2
157.10147	13.3
158.10869	3.7
159.11699	57.7
160.12247	0.8
168.09373	0.8
171.11700	6.0
172.12486	9.0
173.13268	17.4
173.14723	1.2
183.11731	1.0
186.10370	0.9
186.14055	3.8
201.12810	9.8
201.16388	100.0
202.16734	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05506	1.4
57.07061	0.7
67.05501	1.8
69.07059	2.6
69.47466	4.8
69.47805	1.1
72.01620	0.6
78.19347	0.6
79.05494	2.1
81.07088	3.9
91.05479	5.3
93.07050	4.0
95.08627	4.6
98.52185	0.6
105.07040	6.5
107.08600	4.3
109.10169	1.4
115.05441	1.0
116.06252	1.7
117.07048	4.3
119.08602	5.2
121.10167	2.1
129.07019	2.8
130.07785	3.8
131.08582	51.9
133.10141	8.8
143.08580	3.6
144.09340	3.2
145.10143	30.4
157.10149	8.3
158.10985	1.5
159.11710	40.6
171.11691	3.7
172.12495	4.8
173.13286	16.9
186.14069	8.8
187.44450	0.8
199.14917	0.9
201.16402	100.0
202.16718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05508	2.4
57.07081	2.3
67.05518	4.6
69.07057	3.6
69.36594	6.5
71.08636	1.1
76.02205	0.8
79.05500	7.6
81.07051	4.6
83.08628	1.2
91.05487	11.3
93.07072	6.7
95.08614	12.2
105.07039	10.3
107.08610	10.8
109.10145	1.7
115.05443	1.6
116.06245	4.2
117.07019	7.2
119.08605	8.9
121.10163	3.7
128.06250	1.1
129.07033	5.0
130.07780	2.6
131.08578	84.6
132.08960	1.0
133.10147	17.9
143.08592	4.9
144.09329	3.3
145.10135	32.1
146.10933	2.1
147.11662	1.3
150.33501	1.0
157.10146	10.3
158.10907	1.7
159.11708	50.0
171.11716	5.6
172.12498	7.5
173.13272	12.0
174.13536	0.9
186.14023	3.3
201.12628	2.9
201.16400	100.0
202.16743	1.0
218.34108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03955	0.7
55.05516	3.6
57.07084	1.7
67.05509	3.7
69.07083	3.5
69.74223	3.6
79.05506	6.0
81.07064	7.0
83.08643	1.0
88.50196	0.6
91.05493	13.0
93.07053	7.1
95.08612	11.9
103.05456	0.7
105.07044	12.6
107.08606	10.0
107.79244	0.6
109.10184	2.6
109.33678	0.6
115.05460	1.7
116.06226	3.0
117.07034	7.5
118.96783	3.7
119.08600	10.1
121.10172	4.0
128.06224	0.8
129.07007	5.0
130.07796	4.8
131.08580	83.9
133.10141	16.7
133.99094	0.8
142.07788	1.7
143.08566	5.2
144.09367	4.3
145.10138	39.0
146.10889	1.3
147.11736	1.6
154.96461	1.0
157.10138	14.9
158.10941	3.2
159.11708	56.7
160.12294	1.2
171.11665	6.1
172.12511	8.5
173.13264	16.9
177.98097	2.2
183.11850	0.7
186.14153	3.4
199.14835	0.7
201.12718	2.8
201.16400	100.0
202.16760	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05500	2.6
57.07061	2.9
59.93092	1.1
67.05509	4.1
68.51741	0.8
69.07065	2.8
79.05497	7.3
81.07059	4.9
83.08591	1.2
91.05480	11.2
93.07042	6.7
95.08613	10.0
105.07030	10.0
107.08606	9.9
109.10142	1.7
115.05357	1.2
116.06218	3.3
117.07030	6.1
118.96748	3.2
119.08587	9.4
121.10135	4.0
129.07013	4.2
130.07803	5.5
131.08571	77.8
132.08948	1.3
133.10138	16.1
142.07811	1.2
143.08571	3.6
144.09367	4.5
145.10127	31.4
146.10951	1.3
147.11646	1.2
157.10147	10.0
158.10921	2.7
159.11694	46.8
171.11687	4.7
172.12480	9.3
173.13268	14.9
177.98082	2.6
186.14046	3.2
201.12645	3.4
201.16388	100.0
202.16725	1.4
213.46935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1275
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03949	0.8
55.05506	1.4
57.07079	1.2
65.03947	0.9
66.20840	0.7
66.48418	0.6
67.05498	5.4
69.03427	2.2
69.07062	2.1
71.49998	1.2
79.05493	4.3
81.07071	4.9
83.08605	0.8
84.83506	0.8
91.05480	9.1
93.07054	7.1
95.04967	1.3
95.08622	3.1
100.45522	0.7
103.05472	0.9
105.07036	13.6
107.08595	3.9
109.06521	2.2
115.05436	2.2
116.06252	1.3
116.09640	0.7
117.07024	7.2
119.04977	0.8
119.08583	17.4
121.06493	2.9
121.10174	2.1
126.17751	0.7
128.06192	5.4
129.07004	9.1
130.07774	3.4
131.04866	0.8
131.08574	36.7
133.10132	35.4
141.06973	2.8
142.07794	2.9
143.08565	27.6
144.05701	0.9
144.09352	10.3
145.06511	5.1
145.10132	39.8
147.08086	0.9
153.06981	1.0
155.08531	3.2
156.09349	2.4
157.06535	1.7
157.10132	6.8
158.07343	4.8
158.10918	35.8
159.08067	10.3
159.11700	19.5
160.08847	1.6
161.09624	1.4
164.54420	0.7
168.09337	2.9
171.08044	9.9
171.11690	4.2
172.08835	13.6
172.12524	2.0
173.06053	0.9
173.09676	14.4
173.13264	100.0
174.13611	1.3
175.46498	0.7
183.11693	4.5
185.09697	1.4
186.10414	37.6
201.05426	2.4
201.09142	8.6
201.12753	72.0
201.16379	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	201.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
56.96565	7.3
57.03447	0.9
57.99646	0.7
70.63860	2.3
70.98130	0.9
70.99860	1.0
71.05000	0.7
71.95264	1.2
72.99616	0.9
73.02926	1.6
81.03422	0.8
82.15638	0.7
82.99838	8.9
84.96038	1.8
85.02914	1.6
89.21918	0.7
91.00667	0.8
91.05495	1.5
97.02887	1.7
98.97592	13.4
99.97948	1.3
101.00890	64.5
102.00962	1.7
103.00654	2.4
109.02860	0.7
110.97587	3.2
113.00880	15.1
114.00968	1.0
115.00697	0.8
115.02424	1.2
116.98643	4.5
118.96783	2.1
119.01931	100.0
120.02016	2.4
121.01655	2.9
126.50037	0.8
127.02435	0.8
128.70074	0.7
128.98615	2.0
129.02931	0.8
131.01918	51.3
132.02032	3.4
133.01630	0.9
133.03502	3.1
135.03209	1.0
136.95441	0.7
137.01970	1.4
137.02980	15.4
140.98608	1.3
142.03517	0.8
143.00168	1.4
143.01897	0.9
145.03474	5.1
147.04424	1.3
149.02977	10.4
152.79642	0.9
155.01884	2.8
155.03671	1.5
158.99699	1.9
159.01411	1.3
161.02901	1.0
163.02789	1.0
173.01439	0.9
173.02974	18.7
177.00734	2.1
177.02437	2.1
177.98053	1.4
178.02586	1.9
178.98476	0.8
183.01387	2.5
183.03122	1.9
191.04008	10.3
200.54623	0.8
201.02467	67.1
202.02594	1.1
219.03519	54.0
220.03757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.01882	1.6
55.05506	3.4
55.91649	0.8
56.05030	0.9
56.96563	3.7
57.03439	2.9
57.07070	0.9
57.93558	1.1
59.05000	3.0
59.93105	1.0
61.02925	6.7
65.03951	0.8
67.05511	1.5
68.05038	1.9
69.03426	1.5
69.05789	0.8
69.07066	2.4
70.06596	84.2
71.04997	32.9
71.05308	0.5
71.29000	1.2
71.92990	0.7
71.95244	0.7
72.04530	1.1
72.08160	12.2
72.93790	1.6
73.02894	0.9
74.09722	1.6
77.94122	0.7
79.05499	4.5
81.07060	14.8
82.06611	1.9
83.04994	1.0
83.07376	1.1
84.08147	3.4
85.02901	2.5
85.06540	2.1
86.06068	1.9
87.08116	1.8
91.05495	1.2
93.07058	1.3
95.04984	2.9
95.08601	1.2
96.05302	3.6
96.08140	1.3
96.17928	0.7
97.02924	2.3
97.06496	1.0
98.06074	0.8
98.09653	0.7
98.97591	17.9
98.98217	1.2
99.08080	1.1
100.07682	0.8
101.00862	0.8
103.05455	0.8
105.07051	1.0
106.04800	0.6
110.09720	0.9
110.97587	1.7
111.04453	1.0
112.04754	0.8
112.11228	0.9
113.06016	2.7
113.09655	0.8
113.96432	0.8
114.98300	1.0
116.97242	3.1
116.98623	11.6
117.97587	1.8
118.96773	6.6
119.01882	1.4
119.08575	1.4
124.04765	1.9
124.11243	2.3
125.02386	1.4
126.02681	1.3
126.09161	2.2
126.12799	100.0
128.95088	1.2
131.97459	1.1
131.99574	1.0
133.99194	0.9
134.99684	5.9
136.11191	1.3
136.95358	1.0
137.06023	0.7
140.04695	3.2
140.07063	1.5
140.10713	38.0
141.05025	11.9
142.12280	69.2
146.96136	0.8
146.99687	0.9
147.08127	0.8
148.97723	2.6
152.96927	1.1
153.96774	2.3
154.08633	2.8
154.96548	1.4
155.89034	0.7
156.07393	1.4
158.97287	0.9
163.03966	0.7
164.10764	2.0
164.75381	0.7
168.13853	12.9
170.99576	0.7
175.98598	1.0
176.98532	3.1
177.00577	1.2
177.98056	4.3
181.05067	0.8
182.08281	0.8
182.11760	2.9
183.08459	1.2
184.73959	0.7
200.12831	57.8
200.16467	27.1
200.18983	5.1
201.12984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
54.31350	1.3
55.01867	2.6
56.96560	13.6
57.03444	9.1
61.02933	3.8
69.03429	5.6
70.99837	1.9
71.00221	1.5
71.00560	2.8
73.01433	1.8
73.02928	10.1
75.18698	1.4
81.03420	3.7
81.83905	1.3
82.01460	3.7
84.96074	2.0
85.02915	10.1
86.03687	2.2
89.00794	1.4
91.05502	2.8
95.00803	2.2
97.02889	7.5
98.97592	100.0
99.04453	2.7
100.02498	6.3
101.00880	8.6
102.00956	2.4
103.00632	1.3
109.02879	2.9
110.01297	4.5
110.97596	11.1
113.00869	8.1
115.02335	1.4
116.01283	1.8
116.97840	2.6
116.98633	34.0
117.02045	1.9
118.03539	1.5
119.01897	15.6
119.04952	2.4
120.02017	3.9
124.99112	2.1
126.98799	5.2
127.03932	4.3
128.02333	4.3
128.98624	7.4
131.01927	14.3
133.03525	2.8
134.99669	7.2
136.02405	1.4
137.02888	2.2
137.05930	3.4
140.02312	3.4
140.98599	2.1
143.00195	2.4
143.01881	4.2
144.99858	2.1
145.01625	2.5
146.02328	3.9
146.99706	1.8
147.04439	3.6
149.02928	3.8
152.02277	3.3
154.03508	11.3
154.25708	1.5
155.02849	6.0
156.05057	2.1
158.99739	6.8
159.01375	5.0
161.02916	7.5
162.01704	1.4
164.03348	2.4
168.01469	4.6
170.03357	4.2
170.99634	5.0
172.04555	2.8
173.02956	1.8
177.00760	6.0
177.02478	15.0
182.02959	8.0
189.00764	3.6
191.03940	3.0
195.03493	3.4
200.04102	20.7
201.00745	4.1
201.02464	3.6
218.05194	2.5
219.01807	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	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94420	0.9
56.05874	1.0
56.96569	14.7
57.03423	3.6
57.07060	1.5
61.02921	2.0
62.58976	1.1
69.03417	3.2
69.07059	1.3
69.84593	5.2
70.06579	3.9
71.92981	1.0
71.95247	1.7
72.08170	1.0
72.93803	1.1
73.02908	4.2
74.09708	2.7
83.08643	1.2
84.08139	1.2
84.96030	1.3
85.02911	5.0
87.67719	0.9
91.05485	1.6
92.38142	1.1
97.02888	3.7
98.97592	100.0
100.04733	1.2
103.05496	1.7
109.02879	2.4
110.01270	1.6
110.97592	6.2
112.07581	2.2
116.97296	2.0
116.98623	44.6
118.96770	1.1
119.01828	2.7
122.06046	1.2
124.99049	1.2
125.01803	1.2
127.03960	1.4
128.98622	4.1
132.71344	0.9
134.99664	14.1
136.07526	1.3
137.05978	5.1
140.00237	1.5
140.07071	1.1
140.10634	1.1
140.98625	1.4
143.00142	1.8
152.02260	1.6
153.00677	1.0
153.18460	0.9
153.96747	1.3
154.08673	1.7
155.02831	1.6
157.10805	1.0
157.98936	1.0
158.99644	5.9
161.02835	1.9
170.99628	3.7
175.99995	1.1
176.98453	1.3
177.00732	5.5
177.01993	1.2
182.08142	1.1
182.10005	1.4
183.08423	1.5
189.00751	2.4
191.03842	1.1
195.01776	1.9
199.17606	1.1
199.18933	12.0
200.04356	1.5
200.12782	1.1
200.19177	2.0
219.01782	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
52.05501	1.7
53.03946	2.5
55.01874	3.4
55.05274	2.5
55.05516	31.3
55.93524	2.4
57.02826	1.6
57.03427	3.9
57.07071	5.1
57.49405	1.7
65.03971	2.1
67.05507	37.8
69.07069	27.3
69.66995	8.9
70.95870	18.6
71.05003	13.4
72.93787	12.0
75.01845	1.9
79.05138	2.0
79.05507	20.7
81.07058	78.1
82.89178	2.1
83.04971	5.1
83.08630	19.7
85.06561	17.5
87.06399	2.4
89.97620	1.9
91.05486	25.3
91.99154	2.4
93.07048	25.4
95.04979	4.7
95.08611	100.0
97.06537	27.6
97.10173	5.9
99.08084	5.1
103.83002	1.8
105.07034	24.3
107.08595	13.0
109.06528	5.6
109.10163	12.8
111.08078	6.7
111.11753	2.2
111.98473	12.9
113.96429	2.1
115.07624	2.0
117.06974	2.2
119.08581	35.6
121.06452	2.0
121.10152	10.4
123.08077	4.7
123.98961	1.8
129.99498	3.1
132.95840	47.5
133.02798	2.9
133.10114	27.8
135.11702	20.0
137.05978	6.2
137.09602	3.7
137.13266	23.7
141.07004	3.2
150.96921	23.8
151.03888	7.8
151.05008	2.3
153.05672	2.0
155.08583	2.6
155.97446	18.3
161.09598	2.6
161.13274	54.2
165.05554	2.3
167.08597	8.9
169.10141	6.8
173.98512	20.8
179.10719	4.2
179.14337	27.5
182.10985	12.4
197.05962	2.2
197.09628	4.4
197.11554	3.3
197.13271	28.1
197.15378	9.8
198.18513	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	199.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22554	1.0
53.03946	2.1
54.11208	1.1
55.01880	17.3
55.05519	2.4
56.96572	14.0
57.03445	68.6
58.03770	2.4
58.99858	8.2
59.05013	6.6
60.99627	1.2
61.02937	31.5
62.03268	1.0
67.05505	1.6
68.02651	1.3
68.98287	3.4
69.03439	45.2
69.07082	1.6
69.80001	5.1
70.03764	2.0
70.06594	2.2
70.98133	3.7
70.99869	17.9
71.01368	5.1
71.05004	8.1
71.99950	1.2
72.04566	1.0
72.08174	1.8
72.99609	3.1
73.01415	1.7
73.02927	63.8
74.03265	2.0
74.09748	5.7
74.49120	0.9
75.04495	6.3
77.00921	8.2
79.02177	1.5
81.01904	5.1
81.03431	22.5
82.01453	3.8
82.02709	1.4
82.99841	12.1
83.01385	1.1
83.04978	2.4
83.08635	1.1
84.08157	1.2
84.96056	2.8
84.99596	1.8
85.01433	2.1
85.02916	59.1
86.03239	1.8
86.03691	12.1
86.99351	3.8
87.01891	4.8
87.04483	10.1
88.02693	6.2
88.99098	1.0
89.00907	8.7
90.00993	1.0
91.00702	1.3
91.02490	2.0
91.03944	1.3
92.02946	1.7
93.01896	8.1
94.02676	8.7
94.99825	1.9
95.01982	0.9
95.03463	2.1
95.04987	1.9
96.01550	1.3
96.02429	4.7
96.52504	1.7
97.01448	5.8
97.02293	2.3
97.02898	35.3
98.03152	1.0
98.20720	1.1
98.97591	13.3
99.01890	2.1
99.04458	13.0
100.00116	3.1
100.02592	8.7
100.52760	1.6
101.00895	70.0
101.02508	4.5
101.03456	1.4
102.00941	7.2
102.02420	16.7
102.52525	3.1
103.00654	19.1
103.01308	2.2
103.02438	5.9
103.03219	3.0
103.03904	2.3
105.00355	2.7
105.01900	1.3
105.18325	1.0
106.02674	3.2
106.52685	1.1
107.01783	1.0
107.03458	2.3
107.05036	1.0
108.02428	7.7
108.52499	1.1
109.01408	1.7
109.02840	13.3
110.01318	3.8
110.02144	1.1
110.97572	6.0
111.02950	25.2
111.04445	3.6
111.05145	0.9
111.53027	4.1
112.99127	1.4
113.00887	23.1
113.02346	5.8
113.03464	1.8
114.00943	1.8
114.02396	10.2
114.52464	1.3
115.00686	2.4
115.02445	19.7
115.03214	3.7
115.04004	3.9
116.01295	1.2
116.97237	2.4
116.98629	3.9
117.02174	2.3
117.02952	9.9
117.03959	1.9
117.05461	1.8
117.53014	2.1
118.01102	2.8
118.02786	1.1
118.03631	2.4
119.01936	100.0
119.51988	2.0
120.01968	6.8
120.03363	4.9
121.01682	39.0
121.03254	6.2
122.02107	2.3
123.02938	18.1
123.04404	1.6
123.53045	1.8
124.03673	2.0
125.00902	1.9
126.02436	3.9
126.03442	2.6
126.98811	3.8
127.02445	10.9
127.03928	14.2
128.02374	3.2
128.98602	5.7
129.00375	1.5
129.02927	10.2
129.03984	5.7
129.53064	2.5
129.54021	1.5
130.02835	1.5
130.03674	4.9
130.53809	1.3
131.01920	47.5
132.01956	5.7
132.03447	18.7
132.05023	1.2
132.53542	3.0
133.01706	6.8
133.03482	30.9
134.02168	1.4
134.03603	2.4
134.99654	1.0
135.02969	7.4
135.53012	1.3
136.03702	5.6
136.04758	2.4
136.07617	6.8
136.53807	1.3
137.00877	2.3
137.02931	9.3
138.03450	17.7
138.53531	4.0
138.96384	1.0
139.02431	9.4
139.04202	4.3
140.02353	1.9
141.00366	1.1
141.03000	1.4
141.03984	10.7
141.05083	1.2
141.05547	1.6
141.53946	1.2
142.01170	5.1
142.03610	3.8
143.01913	46.7
144.01875	5.9
144.03458	13.1
144.53589	2.6
144.99843	9.8
145.01672	2.6
145.03366	29.1
145.05139	1.4
145.54355	1.1
146.03520	3.0
146.05020	1.9
146.99643	4.7
147.01430	6.6
147.02948	1.3
147.03987	13.6
147.05055	4.2
147.54108	3.6
148.03969	1.0
149.01115	1.4
149.02953	7.5
150.00351	1.5
150.03433	3.1
150.97076	1.4
151.04486	6.3
152.07071	5.0
153.00330	1.1
153.02916	1.7
153.04027	16.1
153.07393	4.9
153.54112	3.0
154.01096	1.4
154.03590	2.1
154.04767	4.2
155.01895	27.5
156.02171	3.3
156.04544	3.0
157.01591	2.4
157.03487	36.3
158.03694	4.6
158.99672	2.8
159.01413	3.1
159.04005	2.7
159.05084	2.9
160.02196	4.2
160.04854	2.5
161.02972	41.2
162.03117	6.5
162.04512	9.6
163.02747	2.7
163.04599	3.8
163.08690	1.1
164.03296	1.2
164.07094	4.5
165.04022	3.3
165.54204	1.3
166.04805	1.5
167.01900	13.9
168.01445	8.9
168.04544	3.6
168.98149	2.7
169.03476	6.2
169.05092	2.0
170.03397	1.1
170.99675	2.8
171.01431	2.3
171.05096	6.0
172.02238	1.8
173.02982	42.0
174.03146	6.7
174.04445	5.0
174.54622	1.6
174.99344	1.7
175.00908	4.9
175.02783	3.0
175.04543	19.6
175.98543	1.9
176.01067	1.7
176.04645	2.2
177.00908	2.3
177.02475	12.7
179.01924	1.6
181.03554	2.7
181.05235	2.1
181.09740	4.0
182.05655	1.1
182.08154	24.8
183.05063	10.5
183.55225	1.2
184.02228	2.7
185.02979	47.9
186.03098	4.8
186.99158	2.3
187.02875	1.9
187.04564	7.3
188.04707	1.4
189.00714	4.1
189.02408	2.3
189.06158	1.4
190.02962	1.2
191.04082	5.0
193.00291	2.0
193.01962	1.9
193.03729	1.2
193.05600	2.2
194.02269	1.4
195.03474	1.8
197.02994	7.2
198.03641	1.0
198.05699	1.0
198.99036	3.3
199.00963	2.4
199.02777	2.3
199.04587	11.5
199.06293	2.2
199.07927	2.2
199.10843	3.2
199.18932	15.0
200.03998	8.2
201.00726	1.2
203.04028	28.5
204.04251	3.5
205.03812	1.9
209.02966	3.2
211.04512	1.4
215.04042	5.7
217.00146	6.2
217.02066	2.6
217.03835	1.2
217.05611	5.5
219.01717	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.05283	1.1
53.03920	1.7
55.01871	1.6
55.05513	6.2
57.07075	2.9
59.04990	2.0
65.03960	1.5
67.05506	8.3
68.99780	2.4
69.03426	2.1
69.07056	3.8
69.39954	2.5
69.40358	7.2
70.95872	11.8
72.93774	5.6
73.02912	3.1
73.37782	1.1
79.05499	8.4
81.07059	8.9
83.04966	3.0
85.06533	2.8
86.62419	1.2
91.04983	2.0
91.05489	23.7
93.07048	25.7
95.01273	1.2
95.04973	10.3
95.08601	6.6
97.06524	2.4
105.03408	1.2
105.04467	1.6
105.07036	28.2
107.04921	3.5
107.08604	71.9
109.06518	9.5
109.10172	9.3
111.98483	12.4
113.06001	1.3
115.05448	2.7
117.06969	1.6
119.04902	2.5
119.06140	1.6
119.08596	10.1
121.06540	6.6
123.00758	1.8
123.04432	5.4
123.08048	1.8
123.11711	4.7
125.05981	2.8
129.99483	3.4
131.08574	2.7
132.95845	27.0
133.02846	2.4
133.10139	72.1
135.08075	3.0
135.11702	54.2
137.05981	11.0
137.09618	4.7
141.07008	8.6
146.07253	2.9
150.96889	17.8
151.03925	16.8
151.05025	1.7
151.07561	2.9
151.11171	5.8
153.05513	1.6
153.06963	1.7
154.07768	2.4
155.08609	2.0
155.97447	12.9
161.09630	33.1
165.05455	2.5
167.08530	2.0
169.06511	9.6
169.10115	4.8
173.98534	13.4
179.03439	8.0
179.07109	3.2
179.10686	100.0
182.07256	1.7
196.67519	1.4
197.00755	2.2
197.04405	2.9
197.05981	16.5
197.07918	2.6
197.09715	5.8
197.11719	66.6
197.13226	3.0
198.18564	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	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.78673	0.4
53.03951	0.6
55.01870	0.8
55.05525	0.9
59.05009	1.5
60.19647	0.4
65.03941	0.9
67.05508	2.3
69.03444	0.7
69.07050	0.5
69.61423	3.2
70.95866	3.8
71.04999	0.7
72.93804	1.7
73.02918	0.6
79.05507	4.4
81.07056	3.2
88.96889	0.5
91.05490	12.5
93.07050	9.6
95.04973	2.4
95.08604	2.4
97.06584	0.7
105.07043	19.6
107.08605	100.0
109.06538	4.1
109.10161	3.7
111.98512	3.5
117.07072	0.6
119.04967	1.4
119.06086	0.8
119.08618	6.3
121.06522	2.3
121.10157	3.3
123.08072	0.8
123.11718	1.3
125.06009	1.5
128.06184	0.6
129.74095	0.6
129.99532	1.3
131.08563	2.1
132.95854	9.4
133.10146	54.0
135.08043	0.6
135.11703	10.0
137.05991	3.8
137.09619	2.6
139.07591	0.7
143.08588	1.5
146.07259	1.4
149.09602	2.1
150.96921	4.9
151.03938	3.2
151.07527	0.9
151.11215	5.8
155.97429	5.8
161.09647	14.6
165.05507	0.9
167.10663	5.6
173.98505	3.9
179.07150	0.8
179.10693	22.8
197.11748	42.5
198.18594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.62038	1.1
51.72294	0.9
53.03939	3.1
55.01870	2.4
55.05520	8.9
57.03444	1.1
57.07063	2.3
59.04990	3.7
65.03937	2.2
67.05504	9.9
68.99785	3.4
69.03416	2.1
69.07065	3.2
69.71684	5.5
70.95871	8.6
71.05019	1.2
72.93797	5.8
73.02922	1.3
77.03913	1.6
79.05508	10.6
81.03429	1.6
81.07059	10.3
83.05000	2.8
85.06532	1.6
85.10189	1.1
91.05493	23.0
93.07052	25.0
94.04163	1.3
95.04984	13.2
95.08627	6.0
97.02913	1.0
97.06543	2.6
98.21432	1.6
99.04494	2.5
105.03404	24.2
105.04472	1.5
105.07042	34.2
107.04912	1.4
107.08606	70.5
109.06532	12.0
109.10159	10.6
111.04494	1.7
111.98486	9.9
113.05997	1.6
117.06959	1.4
118.07826	1.3
119.04984	1.6
119.06113	1.5
119.08601	9.4
121.06523	7.7
121.10150	1.5
123.04436	6.0
123.08084	2.4
123.11736	3.3
125.06004	17.1
125.09625	1.5
127.03933	5.1
129.99516	1.7
131.08620	3.2
132.95853	23.6
133.02841	1.7
133.10147	67.8
135.08090	2.0
135.11708	57.1
137.05994	21.8
137.09644	9.0
141.05423	1.3
141.07013	1.3
143.08580	2.2
146.07274	2.4
150.96883	14.3
151.03958	8.2
151.07555	1.6
151.11157	7.5
153.09158	2.0
155.97444	14.3
161.09633	34.7
163.32196	1.0
165.05449	1.4
173.98494	10.8
179.10684	100.0
179.14102	2.3
197.11752	75.1
198.12085	1.1
198.18562	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	197.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14848	1.0
53.03954	5.1
55.01862	2.1
55.05505	7.2
57.03420	1.4
57.07066	1.9
59.04990	3.5
65.03943	2.3
67.05510	9.6
68.99782	3.5
69.03426	2.6
69.07055	3.6
69.71085	3.7
69.71497	2.0
70.95867	9.2
71.05001	1.9
72.93785	4.2
73.02905	1.4
77.03934	1.4
77.48439	1.1
79.05499	9.1
81.03389	1.4
81.07056	13.4
83.04974	2.9
83.08610	1.1
85.06554	2.3
91.05482	20.5
93.06488	1.7
93.07051	23.8
95.04974	12.1
95.08601	6.3
95.93723	0.9
97.06529	2.7
97.36025	1.1
99.04428	2.9
105.03405	33.4
105.04497	1.6
105.07032	32.3
107.04927	2.1
107.08597	66.6
109.06530	12.7
109.10161	10.0
111.04449	1.8
111.08079	2.0
111.98478	7.8
113.06012	1.1
115.05430	1.0
117.07018	1.1
119.04930	2.6
119.06028	1.1
119.08582	9.1
121.06495	5.0
121.10152	2.7
123.04420	6.0
123.08087	1.8
123.11748	4.6
125.06001	14.8
125.09604	1.2
127.03905	4.2
129.99519	2.3
131.08559	2.9
132.95845	18.2
133.06433	1.1
133.10138	66.7
135.08072	1.8
135.11702	53.1
137.05988	18.5
137.09628	8.0
138.73436	0.9
139.07556	1.0
141.05470	1.4
141.06999	1.4
143.08571	1.7
146.07263	2.0
147.03392	1.1
150.96895	11.3
151.03941	7.6
151.05049	1.7
151.11156	7.0
153.09113	2.5
155.96449	1.0
155.97462	10.6
161.09622	30.0
165.05495	2.0
173.98482	8.5
179.07265	2.0
179.10683	100.0
179.14203	2.8
197.06018	1.7
197.11739	66.4
197.15448	2.1
198.18561	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	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01880	2.6
59.92387	0.3
65.03945	2.1
67.05498	1.2
70.04440	1.3
70.95856	1.0
71.01371	0.5
72.93769	0.7
73.02921	19.8
74.94019	0.4
77.03922	0.3
79.99283	0.3
91.05491	2.5
93.03395	1.8
95.04969	1.1
98.20792	0.4
98.92650	0.4
108.02107	2.9
110.03674	2.6
111.04446	1.0
111.98491	1.2
112.01546	0.3
119.04956	1.6
123.04331	0.3
125.06001	15.2
129.99524	0.3
132.95847	3.0
136.01591	0.7
137.05997	0.9
141.05479	2.2
149.06001	2.8
150.96915	1.5
151.03917	100.0
151.05028	10.3
151.07391	3.1
152.04285	0.5
155.97420	1.3
173.98521	1.2
179.07040	18.8
197.08073	4.9
197.09598	0.5
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
55.93530	0.8
56.96341	0.4
56.96567	4.1
58.99863	0.8
62.27357	0.5
69.03410	1.5
69.07093	0.6
69.61253	3.0
70.95869	12.4
71.95268	0.7
72.93785	7.1
81.03372	0.5
82.01450	1.0
82.99852	1.3
88.72260	0.4
88.96891	1.9
90.94830	1.5
95.04972	0.5
97.02892	2.0
97.03777	0.7
97.06497	0.7
98.21574	0.5
98.97591	7.8
100.02473	1.2
100.45428	0.5
101.00886	10.3
102.02210	0.6
107.08569	0.5
111.02048	0.4
111.98481	10.7
113.96382	1.4
114.04029	8.3
114.94872	0.6
115.02413	0.8
116.98619	5.9
118.03447	0.6
119.01922	25.7
120.02020	0.9
126.30238	0.5
127.02451	0.7
129.02737	1.1
129.04004	0.6
129.99527	5.3
131.01932	1.1
131.96155	0.9
132.05075	37.2
132.95828	20.5
132.96819	0.9
133.03477	1.2
133.10147	0.7
134.99672	3.0
136.99615	0.7
137.02956	7.6
137.99184	0.6
138.96437	0.5
142.03485	0.9
145.03410	2.8
146.99806	3.3
147.03784	8.8
147.04903	0.5
149.50023	0.5
149.97121	1.1
150.06129	16.0
150.96886	26.8
151.06181	0.6
153.00778	0.6
154.90717	1.1
155.01917	1.8
155.06708	0.5
155.97433	14.3
156.00249	2.3
156.02106	1.0
156.03203	0.8
156.03729	0.6
156.05045	9.0
156.97495	1.9
157.03474	0.5
163.04631	0.5
165.04819	2.5
168.98000	1.1
169.03503	0.5
171.05029	0.8
173.01350	1.0
173.02966	5.7
173.04349	0.8
173.98492	19.9
174.03053	2.7
174.06128	100.0
174.97525	0.8
174.98851	0.9
175.04587	0.6
175.06291	1.6
177.00952	4.2
178.01169	0.7
178.99501	0.5
179.10652	0.7
187.04494	1.0
191.02312	0.7
191.03992	1.5
191.99634	1.2
192.04330	1.0
192.07175	17.8
192.08942	0.9
192.98776	0.9
196.91817	2.1
197.00526	3.4
197.02971	3.2
197.04691	1.2
197.07750	1.9
197.11618	0.8
197.99225	0.9
198.18494	2.9
203.96925	0.4
214.95558	1.7
215.01717	2.8
215.04010	1.8
215.05855	0.8
215.07678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03932	3.3
55.01875	7.0
55.05518	19.6
57.03428	1.3
57.07069	4.1
59.04992	1.4
65.03936	3.5
67.05515	9.1
68.96334	1.2
69.03434	11.8
69.07076	36.7
71.05005	6.3
71.49660	1.5
72.03616	1.1
77.03930	1.8
78.04719	1.4
79.05499	18.9
81.03397	1.2
81.06599	1.7
81.07066	30.3
83.04970	3.2
83.08241	1.0
83.08629	13.1
85.06523	4.9
85.10178	1.4
89.03922	27.9
91.05486	11.9
93.03434	1.7
93.07055	19.9
94.04208	1.1
95.04977	6.3
95.08620	40.1
96.08937	1.2
97.06569	1.9
97.10165	8.1
99.08103	51.0
103.05486	8.8
104.74672	1.1
105.04559	1.2
105.07034	12.3
106.04161	3.5
106.07347	1.5
107.04967	63.6
107.08604	30.4
108.09010	1.1
109.06516	3.0
109.10169	11.3
109.98939	2.1
111.04483	1.3
111.08093	16.2
111.11713	3.1
113.09636	3.9
115.05453	4.0
117.03387	50.3
117.06989	2.0
119.08555	2.0
120.05743	2.7
121.02847	2.4
121.06482	4.8
121.10160	42.4
123.04433	2.2
123.08081	1.4
123.11688	4.7
124.05214	1.7
125.05990	2.0
125.08783	2.0
125.09639	28.3
130.96292	3.3
131.04933	2.0
131.96126	1.1
133.02844	3.9
133.06427	1.4
133.10085	1.3
134.03636	9.3
135.04417	11.2
135.07132	1.8
135.08076	12.9
135.11714	13.0
137.05963	2.3
137.12355	1.1
137.13269	11.8
138.06595	1.1
139.03859	2.9
139.11183	3.4
145.02859	86.6
145.07626	1.8
146.03203	2.2
147.04375	2.3
148.97404	1.5
149.02292	1.2
149.06004	22.8
149.09686	1.5
149.13278	4.8
151.07521	3.4
152.04652	1.5
152.06281	1.4
153.05457	3.6
153.97873	2.3
154.06267	3.6
159.11621	1.4
162.03137	2.3
163.03912	18.9
163.06334	1.7
163.07567	21.6
164.16963	1.1
165.05487	2.5
165.06889	1.8
167.07089	17.5
167.08543	2.7
171.98918	1.9
175.41687	1.1
177.05486	100.0
177.12813	2.6
177.16412	45.0
178.05899	1.1
180.07846	3.5
183.88722	1.0
186.05444	1.7
195.02934	10.7
195.06502	5.0
195.08130	2.7
195.10168	14.7
195.11763	2.8
195.13806	1.6
195.17523	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.47607	1.1
53.03932	2.2
55.01875	9.0
55.05274	2.0
55.05515	29.6
57.07085	8.2
57.47649	1.4
57.86713	1.4
59.04995	2.4
61.00828	1.4
62.09972	1.4
65.20351	1.1
67.05507	17.7
69.03427	15.9
69.07072	74.0
71.04148	2.5
71.05000	11.4
71.08629	1.9
75.82802	1.3
77.03931	1.7
79.05494	20.2
81.07060	50.1
83.04977	3.8
83.08627	23.4
85.06549	12.5
89.03913	11.6
91.05484	10.6
93.07047	32.6
93.07633	1.8
95.04931	3.3
95.08611	72.5
97.06520	2.5
97.10170	15.2
99.08095	83.5
103.05458	4.7
105.07037	9.6
107.04957	36.8
107.08596	60.6
109.10170	22.4
111.08087	34.2
111.08672	1.1
111.11741	6.8
113.09658	8.4
115.05465	2.7
117.03382	20.9
119.04934	1.4
119.08550	1.4
121.02870	2.1
121.06562	1.5
121.10149	88.3
123.08144	1.9
123.11713	9.1
125.09635	46.0
127.11186	2.0
128.57858	1.3
130.69640	1.4
131.04892	1.9
133.02882	1.4
133.10139	1.5
134.03633	3.6
135.04404	3.1
135.08064	10.2
135.11700	22.0
137.13254	29.3
137.14268	2.0
138.06570	1.3
139.03935	1.6
139.11168	8.6
140.87703	1.4
145.02847	33.9
145.04015	1.6
149.05956	10.1
149.13281	5.8
151.07555	4.5
153.12723	1.9
154.06276	1.7
159.11723	1.5
163.03897	3.8
163.07547	14.4
165.07010	1.6
167.07047	11.7
177.05481	40.9
177.16393	100.0
178.16687	1.8
180.07817	1.7
195.02892	6.2
195.06468	2.9
195.08200	2.9
195.10187	9.2
195.11754	2.0
195.13747	2.5
195.17450	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.28579	2.2
53.03942	5.9
53.16588	2.1
55.01864	7.3
55.05516	15.9
57.03426	4.6
57.07082	6.4
60.43991	2.1
65.03944	5.8
67.05507	54.3
68.96326	4.8
69.03431	3.7
69.07077	15.0
69.41991	19.8
71.01347	4.5
71.04990	8.0
79.05495	46.4
81.03418	11.0
81.07059	100.0
83.05000	14.6
83.08624	10.2
85.02904	3.6
85.06551	5.4
85.31921	2.6
89.03937	11.8
89.06030	5.4
91.05481	33.2
93.03405	4.0
93.07048	74.3
95.04964	8.9
95.08606	50.4
95.80035	2.2
97.00536	4.0
97.02926	2.4
97.06512	15.4
98.20761	3.0
103.05499	2.6
103.41183	2.5
105.07043	20.1
107.04955	31.2
107.08591	42.1
109.02904	2.6
109.06514	3.6
109.10165	6.7
109.98942	6.6
111.04440	6.0
111.08083	8.0
117.03387	19.1
117.06995	14.4
119.08616	12.5
121.02829	3.7
121.06506	8.5
121.10163	24.0
123.04306	3.0
123.08053	13.0
125.06020	4.4
125.09697	4.1
129.06993	2.3
130.96315	14.1
131.08577	11.8
131.96136	3.8
133.02835	7.3
133.08554	2.7
133.10175	16.3
135.04434	11.8
135.08038	9.7
135.11702	59.7
137.05986	3.0
139.03923	5.2
139.07558	4.6
144.09305	3.2
145.02856	29.4
145.03925	4.6
148.97368	11.8
149.02330	3.0
149.06032	14.8
149.09570	4.2
149.13266	26.8
151.11147	3.3
152.06210	5.5
153.97903	8.4
159.11696	35.2
163.03911	16.4
163.07544	4.2
165.07033	17.7
166.07750	2.8
167.03435	4.1
167.07031	3.1
167.08543	8.5
171.79858	2.5
171.98973	7.4
177.05473	41.6
177.09035	3.5
177.12761	27.2
177.16414	2.9
180.09378	17.6
195.02885	54.3
195.06465	9.8
195.08194	13.4
195.10091	3.6
195.11696	33.5
195.13799	29.7
195.15715	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	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.85048	0.7
53.00301	0.5
53.03947	2.1
53.62956	0.6
55.01879	3.4
57.03432	1.3
63.02375	0.7
65.03937	2.1
67.05500	1.7
68.96331	1.1
69.03424	1.1
69.07076	1.3
69.22307	5.5
70.94255	1.0
71.05009	0.9
77.03939	1.1
78.04714	1.7
79.05492	17.3
79.05922	1.2
80.35420	0.6
81.07056	2.5
83.04982	0.8
85.02902	0.8
86.13184	0.5
89.03919	20.0
89.17445	0.5
91.05486	12.1
91.06027	0.8
93.03419	1.9
93.07056	4.1
95.04968	5.2
95.08608	2.0
103.05472	14.3
105.03394	1.2
105.04502	1.0
105.07033	14.0
106.04195	2.6
107.04957	100.0
107.08585	5.0
109.02885	0.6
109.06534	2.8
109.98953	2.1
110.03656	0.8
111.04485	2.5
111.08122	0.7
115.05464	7.8
116.60764	0.6
117.03381	35.9
117.07001	3.6
119.04947	2.3
119.08588	1.0
120.05728	3.1
120.06487	0.6
121.02865	0.6
121.06487	3.4
121.08433	1.2
121.10151	1.5
123.04441	2.3
123.95943	0.6
124.05226	2.2
125.06007	1.9
130.96284	4.3
131.04951	1.9
133.02884	1.2
133.06503	1.7
134.03632	5.8
135.04431	7.4
135.08054	24.9
135.11667	1.4
137.05966	1.8
137.09604	1.1
138.06686	1.0
139.03868	2.8
139.07571	0.8
145.02849	61.3
145.07591	2.0
147.04466	2.7
148.97408	2.2
149.02362	0.8
149.04826	1.2
149.05989	17.8
149.07153	1.1
149.09615	1.8
149.13251	1.1
151.03899	1.5
151.07561	1.7
152.04732	1.3
152.06209	0.9
153.05475	1.3
153.97905	1.7
154.06247	7.0
162.03166	1.9
163.03902	9.0
163.07550	38.1
165.05534	1.8
165.06833	0.8
167.07056	34.4
167.08447	1.3
171.98993	1.3
172.40686	0.6
174.99217	0.6
177.05473	68.1
177.12723	1.2
178.05794	1.0
180.07831	8.4
180.09294	1.2
187.42560	0.7
195.02940	4.0
195.06525	2.4
195.08374	2.0
195.10182	35.6
195.13826	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02385	0.5
53.00313	0.6
53.03962	1.5
53.04171	0.3
55.01875	1.9
55.05508	0.9
57.03437	0.6
65.03941	0.8
67.05507	1.5
69.03436	0.7
69.07057	1.4
69.52014	1.4
69.52442	0.7
77.03919	0.9
78.04701	1.2
79.05496	13.9
81.03421	0.4
81.07061	2.5
83.08612	0.7
85.06537	0.3
89.03916	2.4
89.09760	0.3
91.05482	8.2
93.03365	0.5
93.07030	2.0
95.04967	3.9
95.08629	1.7
98.21501	0.5
99.08086	1.3
100.26576	0.3
103.05467	12.8
105.03374	0.4
105.04543	0.9
105.07030	11.2
106.04194	1.0
107.04957	100.0
107.08605	2.5
109.06511	1.0
109.10114	0.5
110.03681	0.6
111.04445	0.6
115.05466	7.6
116.06201	0.4
117.03381	4.5
117.07025	3.8
119.04957	1.6
119.05983	0.3
120.05733	4.1
121.02924	0.4
121.06489	1.1
121.09338	0.3
121.10118	1.8
123.04429	1.3
123.11696	0.4
124.05226	2.3
125.05992	1.1
125.09637	1.0
131.04959	2.5
133.02856	1.2
133.06509	1.7
134.03629	1.0
134.07268	0.5
135.04428	1.1
135.08060	25.7
135.11681	1.0
137.05974	1.6
137.13245	0.7
138.02444	0.3
139.03917	1.4
142.83348	0.3
145.02856	7.2
145.06552	0.6
145.07619	2.9
147.04391	3.2
148.05193	0.8
148.97388	0.3
149.05997	3.1
149.13275	0.4
151.03905	1.1
151.07538	1.2
152.04688	1.3
153.05467	0.4
154.06244	5.3
156.84917	0.3
161.05974	0.9
162.06714	0.6
163.03951	1.5
163.07545	40.9
164.08241	0.6
165.05527	1.7
165.06706	0.3
167.07042	32.5
177.05469	10.3
177.16438	1.7
180.07819	8.4
183.43382	0.3
195.02843	1.1
195.10176	27.0
195.17474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02382	0.4
53.00320	0.4
53.03946	1.1
55.01880	1.5
57.07069	0.4
58.42444	0.3
58.68530	0.3
65.03934	0.7
67.05503	0.6
69.18086	3.6
77.03917	0.9
77.17934	0.3
78.04706	0.7
79.05501	10.4
81.03407	0.4
81.07064	1.0
89.03922	2.0
91.05488	6.6
92.06269	0.7
93.03416	0.8
93.07046	1.8
95.04986	3.2
95.08659	0.8
103.05474	13.8
105.03454	0.5
105.04523	0.5
105.07038	10.0
105.07699	0.6
106.04232	0.6
107.04962	100.0
107.08592	1.7
108.05282	0.4
109.06534	0.4
110.03710	0.6
111.04417	0.5
115.05463	6.6
116.06255	0.5
117.03387	4.0
117.07016	2.8
119.04980	0.9
120.05732	3.6
121.02875	0.4
121.06519	1.0
121.10133	0.5
123.04444	1.5
124.05193	1.8
125.05995	1.0
130.96367	0.7
131.04939	3.9
133.02885	0.8
133.06511	1.5
134.03627	0.8
135.04456	0.9
135.08066	26.0
135.11697	0.6
137.05966	1.6
139.03929	1.2
145.02856	8.0
145.04015	0.5
145.06564	0.7
145.07620	3.5
147.04436	2.9
148.05206	0.6
149.05992	2.6
151.03966	0.7
151.07579	0.5
152.04715	1.0
152.06160	0.4
154.06258	4.4
161.05951	0.6
163.03957	1.7
163.07553	46.0
164.08017	0.5
165.05478	1.1
165.06886	0.5
167.07050	24.9
177.05473	9.8
177.16353	0.4
180.07828	5.4
195.02946	1.2
195.06476	1.0
195.10185	22.9
195.17433	0.4
199.29028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00310	1.0
53.03951	1.9
55.01871	1.8
65.03950	2.1
67.05499	0.9
69.03433	0.8
69.07059	0.9
69.17228	4.8
69.17629	1.6
70.73893	0.6
70.94219	0.6
77.03925	1.3
78.04677	1.3
79.05495	14.8
79.05923	1.2
81.07072	1.9
83.04961	0.9
89.03922	15.9
91.05488	10.8
93.03391	1.0
93.07061	3.4
95.04984	3.9
95.08617	0.8
98.20789	1.2
103.05473	12.7
105.03400	1.3
105.04579	0.9
105.07040	10.8
106.04188	1.8
107.04964	100.0
107.08601	3.8
109.06525	1.0
110.03666	0.8
111.04475	1.2
111.08053	0.6
115.05455	6.9
117.03392	32.6
117.07018	2.5
119.04982	1.5
119.08591	0.8
120.05743	4.0
121.06541	1.7
121.10146	0.8
122.03619	0.6
123.04420	1.4
124.05236	2.9
125.05996	1.8
131.04932	2.7
131.08560	0.9
131.85037	0.7
133.06493	1.5
134.03635	4.7
135.04419	4.1
135.08070	25.5
137.05991	2.3
137.09671	0.7
139.03944	2.2
140.94394	0.6
145.02858	53.1
145.07523	3.3
147.04428	2.2
148.05165	1.3
149.05992	13.9
149.13254	1.3
151.03906	1.8
152.04726	1.1
153.05457	1.6
154.06213	4.5
159.11842	0.9
162.03197	1.7
163.03931	6.4
163.07561	41.1
165.05475	1.6
167.07062	31.0
177.05487	65.1
177.12744	0.9
178.05774	1.0
180.07857	8.4
186.05423	1.0
195.02922	2.9
195.06487	1.2
195.10193	26.5
204.88527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
69.75824	0.6
69.85938	2.5
78.04698	1.4
79.05492	2.7
81.07061	1.1
89.03923	23.6
91.05463	3.3
93.07043	2.5
95.04973	0.8
98.97598	1.5
103.05466	2.3
105.06995	1.4
106.04172	1.4
107.04971	6.0
107.08607	0.9
117.03390	55.0
119.04944	0.9
120.67715	0.7
121.06500	1.7
125.06042	1.7
134.03670	8.6
135.04439	3.5
135.08044	1.6
135.11736	0.8
144.01094	0.7
145.02861	94.3
149.06000	23.7
162.03163	1.7
163.03935	9.3
163.07579	2.3
167.07043	1.3
177.05486	100.0
186.05527	0.9
192.39052	0.7
195.02943	2.0
195.06538	1.8
195.10271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03951	1.7
55.01881	2.1
55.05500	0.8
65.03947	0.9
67.05511	1.6
68.91454	0.6
69.07077	0.7
69.18174	1.5
69.18578	4.2
79.05505	12.7
81.07074	3.6
89.03933	3.4
91.05494	7.0
93.03387	1.1
93.07055	1.9
95.04980	2.8
95.08622	1.6
103.05474	11.5
105.04524	0.8
105.07040	9.7
106.04177	0.7
107.04964	100.0
107.08598	3.0
109.06538	1.0
109.98967	1.1
111.04463	0.7
111.08125	0.9
113.26135	0.6
115.05465	6.6
117.03397	6.0
117.07028	3.5
119.04961	1.3
120.05729	4.5
121.06525	2.4
121.10151	1.7
123.04447	1.7
124.05268	1.3
125.06004	1.3
125.09630	0.6
130.96317	1.7
131.04913	3.0
131.08502	0.7
133.02885	0.6
133.06482	1.9
134.03696	1.0
135.04445	2.1
135.07031	1.4
135.08064	27.0
135.11679	1.3
137.06003	1.6
138.06628	0.7
139.03922	1.5
145.02855	9.1
145.03899	0.9
145.07616	4.1
147.04420	2.3
148.97354	0.9
149.04863	0.4
149.05966	3.3
149.09639	1.0
151.03918	1.3
151.07584	0.7
152.04742	0.9
153.97952	1.1
154.06259	3.6
163.03963	2.6
163.07562	47.6
165.05484	1.6
167.07057	22.3
170.06932	0.6
171.99043	0.8
177.05489	10.5
177.09286	0.7
177.12717	1.0
180.04228	1.1
180.07829	6.2
193.97856	0.6
195.02870	2.5
195.06694	2.5
195.08418	1.4
195.10182	22.2
195.13910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.01606	0.5
51.77417	0.5
53.03967	0.6
55.01894	0.6
55.05523	0.7
57.03428	0.6
63.02386	1.0
65.03938	1.0
67.05501	2.0
67.73143	0.6
68.96320	0.6
69.07067	1.8
70.75166	1.2
78.04733	2.1
79.05490	5.6
81.03394	0.6
81.07058	3.8
83.04993	0.9
89.03919	24.6
91.05481	5.7
93.03442	0.6
93.07031	4.2
95.04990	1.7
95.08609	3.1
97.06541	0.5
99.08100	0.8
103.04897	0.5
103.05461	2.7
105.03387	0.6
105.04547	0.5
105.07074	1.6
106.04183	2.0
107.04945	13.0
107.08578	2.6
109.06560	0.6
109.10105	0.6
111.04435	0.9
111.08052	0.7
112.18565	0.5
117.03382	52.3
117.06988	0.7
119.04955	0.8
119.08575	0.7
121.06508	2.9
121.10139	1.9
123.04396	0.7
123.08064	0.9
124.05193	0.7
125.05953	1.3
130.96300	1.0
133.02876	2.0
134.03630	7.5
135.04437	8.7
135.08086	1.8
135.11693	4.0
137.06001	1.3
137.09607	0.6
139.03928	0.9
139.07539	0.9
145.02849	84.7
147.04453	0.9
148.97375	0.8
149.05989	24.1
149.13199	0.8
151.03847	0.8
151.07535	1.9
152.04771	0.6
153.05481	1.0
153.97891	0.8
154.06290	0.7
158.06084	0.7
159.11679	1.3
162.03156	3.0
163.03911	16.0
163.07524	2.4
165.05560	1.2
165.07014	2.0
167.03487	0.6
167.07079	1.7
167.08577	1.2
177.05476	100.0
177.12715	1.0
177.16391	1.0
180.09314	0.9
186.05524	2.0
195.02858	4.2
195.06552	4.0
195.08102	1.2
195.10135	2.6
195.11752	2.8
195.13615	0.8
195.17543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.31145	0.7
53.03939	2.4
55.01864	5.3
55.05513	11.9
57.03424	2.6
57.07081	4.2
59.04991	4.2
65.03923	1.7
67.05507	31.9
69.03441	1.2
69.07062	9.1
70.24371	0.8
70.95221	1.7
70.95557	1.0
71.04982	2.7
79.05495	17.7
79.46898	0.7
81.03400	3.5
81.07061	18.3
83.04987	4.1
83.08611	3.8
85.06545	24.8
91.05479	15.2
93.07050	23.2
95.04977	8.0
95.08611	19.0
97.06514	2.6
99.08093	100.0
103.05457	8.9
103.70265	0.8
104.06243	2.0
105.03415	1.1
105.07034	68.0
107.04965	2.0
107.08595	21.6
109.06513	7.9
109.10159	55.9
111.08068	1.2
115.05473	12.2
115.84297	1.0
117.07027	1.3
118.04164	5.9
119.04920	1.2
119.08591	15.3
121.06516	1.3
121.10123	8.4
123.04496	0.8
123.08079	7.7
123.11726	7.3
125.09632	1.4
125.13258	1.0
129.07007	2.0
131.04915	2.9
131.08534	2.2
132.05676	1.9
133.02849	1.3
133.06493	46.9
133.10129	20.6
135.08032	1.3
135.11687	24.9
137.05994	1.9
137.08557	1.0
137.09616	19.7
143.06041	3.9
143.63463	0.8
145.10129	1.7
147.04388	2.9
147.08003	1.6
147.11681	8.2
149.06033	1.2
149.09639	1.3
149.13245	1.4
150.06737	1.4
151.07527	1.2
151.11160	7.9
151.14787	1.0
157.10132	3.2
161.05978	47.5
165.05525	1.3
165.09094	2.2
165.12695	1.2
165.16382	3.4
175.11201	3.7
175.14819	10.2
178.06264	1.8
182.84448	0.8
193.04926	3.6
193.08606	30.7
193.10060	1.4
193.12277	5.8
193.15883	62.8
211.13228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03951	2.3
53.43823	0.5
55.01884	3.4
55.05513	7.2
57.03428	1.2
57.07083	1.6
59.04993	2.1
59.69961	0.7
65.03934	1.0
65.97001	0.5
66.04703	1.1
67.05503	10.5
69.03419	1.4
69.07072	10.8
69.21294	5.9
71.04981	1.8
72.08226	0.6
79.05496	17.0
80.81526	0.6
81.03414	4.6
81.07056	13.3
83.04974	1.5
83.08612	4.6
85.06544	5.4
90.04722	1.5
91.05484	10.6
93.07048	10.8
95.04977	8.1
95.08604	13.5
97.06541	6.5
97.10162	1.2
99.08098	16.1
103.05470	15.1
104.06253	1.9
105.07033	100.0
106.07387	1.1
107.04970	1.9
107.08592	12.1
109.06516	13.9
109.10159	18.3
111.08093	2.3
111.11700	1.3
115.05453	20.9
117.06979	1.7
118.03389	1.1
118.04161	11.9
119.04922	1.0
119.08575	11.6
121.06521	1.2
121.10157	5.3
122.07301	0.6
123.07206	1.0
123.08074	14.2
123.11690	5.2
131.04938	4.6
131.08606	0.8
132.05716	1.9
133.02901	1.7
133.06496	74.3
133.10130	15.9
134.06874	1.7
135.04372	0.8
135.08078	0.7
135.10701	1.2
135.11691	16.9
137.05988	1.6
137.09608	9.8
141.98920	0.6
143.04913	1.7
143.06050	7.1
143.69327	0.6
147.04431	1.5
147.08047	0.8
147.11707	3.5
149.05986	1.3
149.09595	0.6
149.13254	1.8
150.06824	1.0
151.11206	2.1
160.05139	1.1
161.05983	77.5
162.06392	1.1
165.05505	1.1
165.09129	2.4
165.12700	1.2
175.07532	1.6
175.11208	1.4
175.14830	11.7
175.83733	0.7
178.06288	1.2
193.04980	3.8
193.08620	23.7
193.12268	2.2
193.15883	31.0
204.42873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01866	5.9
55.05516	17.4
57.03424	3.7
57.07075	3.4
59.04996	2.0
63.45410	1.4
65.03954	2.6
67.05506	25.2
69.03433	4.6
69.07071	18.4
69.42605	12.0
71.04987	6.2
76.52103	1.5
77.03919	2.2
79.05490	26.5
81.03416	16.3
81.07062	31.1
83.04977	9.8
83.08615	10.0
85.06557	5.4
91.05483	22.7
93.07053	24.0
94.07368	1.8
95.04977	11.6
95.08609	39.0
97.06511	9.6
97.10191	1.8
99.08089	4.6
103.05461	14.3
104.06244	2.1
105.04525	1.8
105.07034	100.0
106.07346	3.2
107.04966	3.1
107.08588	36.5
107.42329	1.5
109.06532	15.4
109.10159	50.5
111.08069	10.1
115.05452	19.0
118.04157	11.0
119.07715	2.4
119.08577	47.6
121.10149	21.6
123.08076	30.6
123.11707	21.1
123.85451	1.8
125.09646	2.0
129.06993	2.8
131.04945	3.0
131.08595	4.2
132.05707	2.5
133.02815	2.1
133.05487	3.6
133.06493	64.4
133.10130	51.0
135.08051	2.5
135.11702	40.5
137.06032	2.5
137.08545	3.1
137.09618	44.8
137.13268	2.0
138.10378	4.4
143.05019	2.7
143.06087	5.3
146.97498	1.6
147.04373	3.5
147.08025	2.7
147.11684	15.2
149.09628	2.1
149.13263	14.7
150.06801	2.0
151.11206	6.3
151.14825	2.6
157.10178	3.4
160.12543	1.8
161.05991	53.8
165.09140	2.0
165.12735	14.4
165.16379	1.6
175.07584	3.0
175.11263	6.0
175.14836	56.1
178.02611	2.3
186.89404	1.5
193.04976	10.3
193.08624	34.8
193.12263	7.9
193.15913	79.9
194.15536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03934	3.5
55.01866	5.9
55.05516	17.4
57.03424	3.7
57.07075	3.4
59.04996	2.0
63.45410	1.4
65.03954	2.6
67.05506	25.2
69.03433	4.6
69.07071	18.4
69.42605	12.0
71.04987	6.2
76.52103	1.5
77.03919	2.2
79.05490	26.5
81.03416	16.3
81.07062	31.1
83.04977	9.8
83.08615	10.0
85.06557	5.4
91.05483	22.7
93.07053	24.0
94.07368	1.8
95.04977	11.6
95.08609	39.0
97.06511	9.6
97.10191	1.8
99.08089	4.6
103.05461	14.3
104.06244	2.1
105.04525	1.8
105.07034	100.0
106.07346	3.2
107.04966	3.1
107.08588	36.5
107.42329	1.5
109.06532	15.4
109.10159	50.5
111.08069	10.1
115.05452	19.0
118.04157	11.0
119.07715	2.4
119.08577	47.6
121.10149	21.6
123.08076	30.6
123.11707	21.1
123.85451	1.8
125.09646	2.0
129.06993	2.8
131.04945	3.0
131.08595	4.2
132.05707	2.5
133.02815	2.1
133.05487	3.6
133.06493	64.4
133.10130	51.0
135.08051	2.5
135.11702	40.5
137.06032	2.5
137.08545	3.1
137.09618	44.8
137.13268	2.0
138.10378	4.4
143.05019	2.7
143.06087	5.3
146.97498	1.6
147.04373	3.5
147.08025	2.7
147.11684	15.2
149.09628	2.1
149.13263	14.7
150.06801	2.0
151.11206	6.3
151.14825	2.6
157.10178	3.4
160.12543	1.8
161.05991	53.8
165.09140	2.0
165.12735	14.4
165.16379	1.6
175.07584	3.0
175.11263	6.0
175.14836	56.1
178.02611	2.3
186.89404	1.5
193.04976	10.3
193.08624	34.8
193.12263	7.9
193.15913	79.9
194.15536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03937	2.1
55.05512	17.5
57.03426	1.9
57.07066	5.2
59.04996	5.4
67.05509	35.8
69.03421	2.4
69.07076	10.8
69.85143	5.5
71.04974	2.0
79.05498	12.2
81.03471	1.5
81.07058	20.1
83.04972	6.8
83.08618	6.4
85.06547	26.3
91.05486	21.2
92.81237	1.2
93.07061	25.7
95.04974	4.3
95.08608	27.5
97.06545	2.2
97.10188	2.7
98.20780	1.6
99.08101	100.0
103.05511	2.4
105.07038	22.7
107.08603	29.3
109.06520	9.8
109.10164	70.3
111.08097	3.9
114.04160	1.3
115.05471	2.7
115.89404	1.2
117.07002	1.6
118.04098	1.4
119.08585	23.5
120.08072	1.9
121.10162	13.8
123.08087	17.0
123.11704	10.0
125.09628	2.5
131.08557	1.8
133.06509	11.6
133.10139	26.6
135.11694	39.2
137.09625	28.2
138.10419	3.0
147.04451	3.7
147.08083	1.5
147.11658	2.2
149.13249	4.2
151.11208	10.6
151.14839	2.3
161.05936	10.5
165.16417	4.1
175.14854	20.1
178.02647	1.9
193.04961	3.6
193.08694	6.5
193.15898	84.4
194.16248	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05517	13.4
55.75753	1.0
57.07068	4.6
57.54746	0.9
59.04989	3.4
65.03910	0.9
66.16519	1.0
67.05511	28.3
69.03381	1.1
69.07064	6.5
70.83517	2.1
71.04991	2.4
79.05496	9.7
81.07057	11.1
83.04992	3.2
83.08622	4.4
85.06550	24.2
85.10148	1.5
91.05487	9.6
93.07056	19.5
95.04976	2.9
95.08616	14.5
99.08103	100.0
100.08422	2.3
105.07045	8.9
107.08598	21.0
109.06539	4.9
109.10168	59.8
111.08114	1.8
119.08574	9.1
121.10164	6.1
123.08096	5.5
123.11713	6.8
133.06470	4.0
133.07423	1.1
133.10139	11.8
135.11708	24.7
137.09631	18.8
138.10394	1.9
147.11697	1.4
149.13324	1.4
151.11201	7.5
161.06018	3.0
165.16394	2.7
175.14827	6.8
193.08736	1.7
193.15904	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03942	1.7
55.01868	2.2
55.05518	11.0
57.07071	3.0
58.30790	0.9
59.04977	1.8
65.03924	3.0
67.05506	11.6
69.07074	25.7
71.04992	17.4
71.50053	1.6
77.03915	1.2
79.05495	10.1
79.84370	1.0
81.03417	3.9
81.07063	23.0
83.04977	1.3
83.08612	3.7
85.06552	15.3
91.05484	10.2
93.07055	22.1
95.04382	1.9
95.04978	36.1
95.08614	23.4
97.06551	2.5
97.10162	7.6
99.08080	4.1
103.05471	2.0
105.06365	0.9
105.07040	23.7
107.08604	35.0
109.06525	100.0
109.10167	15.8
111.08073	6.1
111.11744	2.3
115.05454	3.7
119.08592	31.2
121.10146	11.6
123.08057	7.4
123.11710	18.7
125.09646	1.2
131.08560	2.0
133.06508	11.6
133.10136	28.6
135.11703	36.1
137.09625	11.7
146.97437	3.6
147.11699	7.2
149.02318	2.7
149.13287	9.7
151.11176	5.2
151.14864	1.1
161.06032	10.2
165.05534	1.0
169.99095	1.2
170.91774	0.9
175.11226	1.5
175.14836	42.7
193.04997	3.6
193.08571	2.1
193.10136	3.0
193.12219	3.3
193.15901	56.9
196.68535	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03935	3.2
55.01863	7.1
55.05516	9.3
57.03424	4.9
57.07079	2.0
65.03926	6.4
67.05506	57.6
69.03422	2.2
69.07072	15.8
71.04974	4.0
71.50469	1.6
77.03901	3.2
79.05495	49.2
81.03420	12.8
81.07056	54.6
83.04996	10.0
83.08619	2.8
85.06516	5.4
91.05484	87.1
93.07053	31.1
95.04984	18.3
95.08604	14.6
97.02887	8.1
97.06530	20.7
99.04436	2.3
99.08086	6.7
103.05445	7.8
104.06208	2.5
105.04523	2.2
105.07037	100.0
107.04959	9.6
107.08592	16.2
109.06523	19.5
109.10148	6.9
111.04422	4.0
111.08044	1.8
113.06009	8.6
115.05457	13.8
117.07003	2.6
118.04179	4.3
119.04941	2.6
119.08588	54.3
121.06487	3.5
121.10155	11.3
123.04441	1.7
123.08029	4.6
123.11671	2.1
125.05975	3.5
128.06154	2.2
129.07005	23.2
131.08566	22.1
133.02834	2.1
133.06502	41.1
133.10138	77.6
135.11690	4.7
137.05957	3.4
137.09653	3.2
142.07770	6.9
143.06052	4.4
145.10054	1.9
146.97505	2.0
147.08060	6.4
147.11693	83.8
149.02353	9.1
149.06023	1.8
149.09634	18.5
151.07581	2.5
151.11119	2.5
157.10135	49.3
161.05988	32.7
165.12769	10.1
170.52904	1.9
175.11197	65.0
175.14774	3.6
178.07782	4.2
193.05005	14.1
193.08647	24.9
193.10376	3.4
193.12247	62.6
193.15865	9.0
196.20480	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03939	2.1
55.01881	4.6
55.05505	2.7
57.07072	0.7
57.15082	0.8
65.03939	2.3
67.05510	3.7
69.03437	2.2
69.07070	2.7
69.38387	1.5
69.38795	3.9
70.01729	0.8
77.03947	0.9
78.04706	0.9
79.05495	14.9
81.03432	1.5
81.07059	4.5
83.04988	2.2
83.08646	1.0
85.06544	1.3
91.05490	13.7
93.07055	5.4
95.04987	3.6
95.08617	6.7
95.09151	1.1
97.06554	1.1
98.20723	0.8
98.45216	0.7
99.08121	2.0
102.04690	1.1
103.05470	19.5
104.06277	4.5
105.03423	1.4
105.07040	100.0
106.07350	0.9
107.04960	2.1
107.08592	4.1
109.02890	0.9
109.06506	4.6
109.10160	5.3
111.08103	0.9
115.05473	26.9
117.07006	3.6
118.04165	7.9
119.04959	2.8
119.08591	9.9
121.06471	1.0
121.10153	1.4
122.03675	1.5
123.08075	2.5
123.11700	1.2
130.04166	1.0
131.04939	18.1
131.08574	1.0
132.05792	3.6
133.02863	2.6
133.06502	84.2
133.10135	13.2
135.08046	1.5
135.10788	1.2
135.11714	4.5
137.05978	9.6
137.09634	2.9
143.04933	9.2
143.06067	5.9
144.05760	2.1
146.97516	1.1
147.04425	8.0
147.08066	2.9
147.11682	5.8
148.05209	1.2
149.02336	2.2
149.06027	3.9
149.13261	1.3
150.06802	3.5
151.03906	1.3
151.07538	6.9
157.10138	0.8
160.05222	12.0
161.05992	72.7
162.06732	3.4
163.03963	1.8
163.07571	6.1
165.05499	10.8
165.06950	2.1
165.09132	26.3
175.03949	4.0
175.07559	21.9
175.11214	2.6
175.14862	8.6
178.02704	1.1
178.06406	5.5
178.07756	1.1
193.04999	10.4
193.08632	86.5
193.10030	3.3
193.12328	3.4
193.15919	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	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.02014	0.7
53.03944	2.3
55.01876	5.1
55.05514	5.3
64.89503	0.5
65.03965	0.6
66.34992	0.7
67.01869	1.3
67.05512	7.9
68.99807	0.6
69.03428	2.3
69.07083	3.5
70.86044	1.7
71.05006	1.0
73.44164	0.5
76.01658	0.6
77.03929	1.0
79.05500	15.2
81.03420	1.8
81.07061	5.7
83.04558	0.6
83.04985	3.6
83.08659	1.3
85.06557	2.1
90.04699	1.1
91.05490	23.6
92.02596	0.8
93.07056	8.0
94.39672	0.6
95.04990	6.1
95.08631	6.0
97.02905	1.0
97.06565	0.9
99.08114	6.5
99.36246	0.7
103.05476	13.9
104.06281	0.9
105.07040	100.0
106.07336	1.4
107.04967	4.6
107.08607	6.7
109.02918	1.0
109.06538	4.0
109.10167	9.7
111.08116	0.8
115.05465	19.8
117.07038	1.1
118.04177	9.6
119.04953	2.2
119.08579	12.9
121.06545	1.7
121.10129	2.9
123.04387	0.9
123.08105	3.0
123.11715	2.3
125.06026	0.8
128.06195	0.7
129.06993	2.9
131.04944	5.4
131.08571	4.4
132.05717	4.1
133.02882	1.8
133.06505	79.4
133.10143	43.7
134.03667	2.2
134.06836	1.2
135.04346	0.7
135.08064	1.4
135.10741	0.6
135.11703	11.8
137.05974	2.7
137.09630	7.7
143.04933	2.3
143.06062	7.9
146.03716	1.0
147.04422	68.9
147.08055	12.5
147.11703	9.3
148.04750	1.0
149.05972	1.8
149.13310	1.1
149.51813	0.6
150.03038	0.6
150.06911	0.7
151.07530	2.3
151.11209	2.4
153.01859	0.9
157.06509	0.8
160.05289	1.3
161.05994	76.5
162.06364	1.2
163.07545	0.8
165.05490	1.3
165.06850	1.0
165.09093	1.1
175.07562	12.1
175.11208	4.2
175.14876	4.6
178.06261	4.4
193.04984	36.7
193.08627	21.8
193.12238	6.4
193.15958	11.0
194.05412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03947	1.7
55.01881	4.2
55.05518	1.8
67.05505	3.9
69.03452	0.8
69.07069	2.2
71.00747	1.4
71.01091	0.6
71.04988	0.8
77.03937	0.7
79.05493	14.9
81.07062	2.9
83.04986	1.0
83.08622	0.9
85.06550	2.4
90.04697	1.3
91.05489	8.7
93.07050	3.6
94.95312	0.6
95.04972	2.3
95.08611	3.9
96.29286	0.6
98.97584	1.1
99.08102	8.3
103.05473	17.6
104.06276	1.7
105.03396	2.4
105.07037	100.0
107.04961	2.1
107.08615	4.7
109.06527	1.9
109.10162	7.1
111.08117	0.7
115.05457	19.0
118.04164	10.7
119.04931	1.0
119.08594	7.0
121.06561	0.7
121.10170	2.5
123.08055	2.3
123.11689	1.2
131.04947	3.7
132.05711	2.1
133.06499	82.8
133.10124	6.2
135.04436	0.9
135.08058	1.3
135.11693	3.8
137.05969	1.5
137.09602	4.2
138.10387	1.4
143.04959	1.7
143.06061	8.0
147.04411	3.0
147.08041	1.1
147.11729	1.8
149.02325	1.3
149.05980	1.4
150.06747	2.4
151.11215	0.8
160.05211	0.7
161.05994	79.9
162.06339	0.7
165.05495	0.9
165.09137	2.2
165.12747	1.2
175.14839	5.3
178.06252	1.6
193.04927	3.8
193.08617	33.3
193.15891	9.6
200.24237	0.8
210.39873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.19288	0.5
51.02390	0.8
53.03946	2.3
55.01874	3.8
55.05516	1.3
56.01567	0.5
65.03947	0.8
66.04728	0.6
67.05499	2.5
69.07066	2.2
69.17291	2.9
69.17722	3.3
71.05004	0.9
77.03923	1.1
79.05500	13.8
81.03418	3.5
81.07056	2.4
83.08611	1.6
89.03957	0.8
90.04700	1.1
91.05484	7.0
93.07057	1.9
94.04179	0.7
95.03289	0.6
95.04974	3.9
95.08611	2.8
97.06535	2.0
98.20802	1.3
99.08121	1.0
102.04754	0.6
103.05476	15.5
104.06264	2.2
105.07038	100.0
106.07334	0.7
107.04984	1.1
107.08624	1.7
109.06517	3.2
109.10124	3.0
115.05465	22.0
118.04165	11.6
118.94244	0.6
119.04958	0.6
119.08587	1.8
121.06511	1.1
123.08076	2.7
123.11727	1.1
129.88818	0.6
131.04945	4.2
132.05724	2.0
133.06502	88.0
133.10126	2.6
134.06837	1.1
135.11711	2.6
137.05984	1.2
137.09656	1.4
143.04959	2.0
143.06059	7.9
147.04417	2.6
147.11629	0.8
149.02332	0.6
149.05986	1.0
149.13246	0.8
150.06700	0.8
160.05217	1.2
161.05995	92.6
162.06361	0.7
165.05533	0.6
165.09122	1.0
175.11348	0.7
175.14848	1.4
178.02666	1.3
178.06235	1.1
193.04980	2.5
193.08620	29.1
193.12271	2.1
193.15891	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05514	11.0
56.41745	1.3
56.82569	1.4
57.07075	2.7
65.03963	1.3
67.05506	10.6
69.07077	29.1
79.05505	10.1
81.07057	14.5
83.08626	11.1
84.25838	1.4
84.96039	1.1
91.05476	5.6
93.07053	39.8
95.04984	2.5
95.08617	59.3
97.10131	6.2
103.09258	1.2
105.07047	4.6
107.08604	40.5
109.10161	27.9
111.11747	2.3
119.08585	3.8
121.10158	61.1
123.11711	5.5
133.10107	2.7
135.07997	1.8
135.11696	47.2
149.13295	11.6
173.13271	2.0
191.10596	2.3
191.14363	7.0
191.17964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05514	20.2
57.07065	5.4
65.03929	1.5
67.05512	17.6
69.07067	36.9
70.54312	2.6
70.54655	1.8
71.04979	2.4
76.39614	1.5
77.62331	1.2
79.05494	19.1
81.07063	22.2
83.08626	17.5
91.05481	14.4
93.07051	58.6
95.08613	79.2
97.10165	13.8
101.52155	1.1
103.05453	3.5
105.07050	14.8
107.08598	72.7
109.06512	2.6
109.10160	43.5
111.11732	2.3
117.06950	1.5
118.04163	1.6
119.08585	10.7
121.06519	1.6
121.10149	99.5
123.11721	8.6
124.30466	1.4
129.07068	1.8
131.04900	2.4
131.08575	10.5
133.10165	6.3
135.08105	6.5
135.11696	76.9
145.10103	7.3
147.11696	5.7
149.13271	19.9
158.10913	3.8
163.14822	4.6
173.13269	18.7
191.07031	3.7
191.10690	4.0
191.14336	32.4
191.17963	100.0
192.18243	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.78720	1.3
52.00417	1.1
52.74557	1.1
52.95076	1.2
53.03945	3.8
55.05518	19.2
57.07082	7.3
67.05511	19.5
69.07077	37.2
70.88025	3.1
78.63835	1.4
79.05495	19.8
81.07057	22.1
83.08622	16.4
91.05491	12.0
93.07051	57.5
95.05002	2.9
95.08613	63.9
97.10186	12.0
105.07037	11.0
107.08601	67.3
109.06495	2.2
109.10169	40.5
111.11713	1.3
119.08596	6.0
121.10150	100.0
122.10531	1.6
123.11703	5.5
131.08551	4.3
133.10144	5.4
135.11703	76.9
145.10159	3.3
147.11723	2.5
149.13284	18.2
163.14850	3.5
173.09790	1.9
173.13283	12.9
191.10716	1.7
191.14362	11.0
191.17970	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03928	2.3
55.05515	16.7
57.07059	3.6
67.05508	14.8
69.07074	39.7
69.24236	2.1
69.24637	8.6
79.05498	15.9
81.07068	15.5
83.08618	15.4
84.79121	1.1
91.05482	8.5
93.07050	48.0
95.04980	1.5
95.08612	74.7
97.10183	9.7
98.20805	2.4
99.78304	1.2
105.07033	5.3
107.08601	56.2
109.06534	1.2
109.10167	41.0
111.11715	2.5
119.08584	2.5
121.10152	80.3
122.10469	1.4
123.11713	6.7
133.07556	1.6
133.10156	1.3
135.11699	54.8
147.11703	1.9
149.13283	14.8
163.14864	3.3
191.06926	1.2
191.17960	100.0
192.18498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03950	2.3
55.05515	15.9
57.07070	4.7
67.05508	14.6
69.07076	42.0
69.84614	3.3
69.85010	2.7
70.88963	1.4
79.05498	14.5
81.07070	16.5
83.08634	16.2
91.05488	10.3
93.07050	49.6
95.05003	1.7
95.08619	69.3
97.10188	7.7
98.21503	2.2
102.19637	1.3
103.05482	2.2
105.07033	12.7
107.08603	54.5
109.10172	37.6
114.86323	1.2
117.06995	1.7
119.08609	5.8
120.08959	1.5
121.06492	1.9
121.10155	82.9
123.11751	8.3
131.08575	4.1
133.10167	2.6
135.08063	2.2
135.11710	58.3
145.10143	5.3
147.11732	2.9
148.05234	1.5
149.09605	2.3
149.13293	14.7
161.13377	1.9
163.07549	1.5
163.14902	4.0
167.83382	1.5
173.13261	4.0
191.07076	1.4
191.10722	3.4
191.14345	13.9
191.17981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03938	1.9
55.05516	13.9
57.07060	3.3
66.55678	1.1
67.05510	12.3
69.07076	34.8
69.38762	8.2
79.05505	12.7
81.07058	13.3
81.07487	1.8
83.08624	12.8
91.05485	8.1
93.07048	45.5
93.97113	1.0
95.08614	67.3
97.10159	7.1
103.05453	2.5
105.07029	7.7
107.08598	49.4
109.06506	2.2
109.10164	33.1
111.11669	2.2
117.07025	1.3
119.08584	4.3
121.06492	1.7
121.10151	69.4
123.11684	7.1
131.08595	3.3
133.10149	2.9
135.08029	1.4
135.11697	50.7
145.10118	2.5
147.11720	2.6
149.13248	15.4
158.10930	1.2
159.88568	1.1
163.14830	2.8
170.43614	1.0
173.13274	4.5
191.07060	2.4
191.08710	2.3
191.10678	2.4
191.14351	11.7
191.17955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01859	2.6
55.05494	4.3
57.07072	2.1
59.04988	1.8
67.05174	1.9
67.05505	18.5
69.03425	5.7
69.07072	9.5
69.62290	6.9
69.62696	3.2
71.05000	12.0
78.85912	1.4
79.05061	1.8
79.05489	15.2
81.07050	10.6
83.04984	3.5
83.08621	4.1
85.06535	6.4
91.05487	19.2
93.07038	16.2
93.56386	1.4
95.04975	10.6
95.08603	14.8
95.45419	1.5
97.06554	7.7
103.05476	12.0
105.07037	25.4
107.04960	2.4
107.08596	40.2
109.06525	24.6
109.10159	84.1
111.08086	2.1
115.05481	3.1
117.07010	6.0
118.04176	3.3
119.08591	11.0
121.06543	8.4
121.09329	2.3
121.10149	24.5
123.08091	10.8
129.06984	4.1
129.19336	1.5
130.04155	3.0
130.05135	1.6
130.07765	1.6
131.04935	7.5
131.08566	47.1
133.02826	2.2
133.06505	3.6
133.10133	29.1
135.08060	80.6
135.11682	6.8
143.08562	5.6
144.09346	2.0
145.06464	2.3
145.10159	14.3
147.04446	1.5
147.08049	2.6
147.11717	10.7
148.05165	4.9
148.08835	3.5
149.09599	12.6
149.13269	10.2
150.10374	4.0
158.10907	10.5
159.02982	1.3
161.09602	3.6
163.07549	8.8
163.11169	2.2
163.14847	3.3
173.06058	1.5
173.13266	56.5
176.04634	3.7
176.11967	4.3
176.19269	1.8
191.03345	3.3
191.07022	11.2
191.10670	6.5
191.14314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01880	3.5
55.05492	0.8
67.05505	0.9
69.07069	15.4
69.46880	3.8
76.04305	0.5
78.85833	0.5
79.05486	2.1
81.07042	1.7
83.04971	1.9
91.05488	4.8
93.06488	0.9
93.07046	12.3
95.04944	0.6
95.08602	2.1
97.06526	1.6
98.20781	1.0
103.05500	0.8
105.06397	0.4
105.07021	2.8
107.08598	9.5
109.06519	0.6
109.10167	0.8
117.07016	1.6
119.08597	2.3
121.06514	17.4
121.10149	6.4
123.08076	2.0
131.04971	0.9
131.08562	3.4
133.10152	6.1
135.08057	7.0
135.11681	2.1
137.09589	0.7
142.26686	0.5
143.08549	0.6
145.10094	1.8
147.11699	24.2
149.09598	3.0
149.13278	7.5
158.10924	1.6
161.09650	6.1
163.11176	1.0
163.14851	1.0
173.13281	8.6
176.04697	1.3
176.11993	1.6
191.07027	1.7
191.14317	100.0
192.14764	1.1
204.35918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.68397	0.8
53.03937	1.9
55.01855	0.9
55.05492	3.0
57.07064	0.9
65.03928	1.2
66.93322	0.8
67.05246	0.7
67.05511	7.1
69.03436	4.1
69.07069	10.3
70.83876	1.0
70.84194	1.0
71.04990	12.9
79.05502	5.8
81.07053	7.5
82.52480	0.8
83.04971	1.7
83.08611	1.5
83.18655	0.8
83.54652	0.8
85.06549	6.5
91.05481	14.3
93.07048	14.7
95.04955	5.5
95.08610	13.9
97.06528	12.6
102.04676	1.1
103.05473	2.8
105.07034	20.7
107.04979	1.0
107.07892	1.5
107.08595	27.1
107.09311	1.4
107.76949	0.8
109.06505	7.5
109.10175	5.4
111.08069	3.2
114.45018	0.8
115.05456	1.8
117.07028	4.1
119.08584	12.3
121.06508	3.0
121.10140	28.1
123.08054	2.3
129.07011	1.3
131.04939	1.9
131.08565	16.9
131.70564	0.7
133.09126	1.7
133.10133	28.4
134.91826	0.8
135.08060	19.8
135.11700	2.0
143.08588	4.8
144.09303	1.3
145.10123	7.7
147.11687	15.5
148.05241	1.6
149.09641	6.6
149.13260	14.7
158.10915	8.0
161.09645	1.6
163.07533	1.9
163.14812	3.2
173.13271	26.5
176.12016	1.4
191.07033	8.9
191.14311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.05511	4.1
56.42449	0.9
57.03434	1.5
57.07080	1.4
65.03950	1.5
65.25290	1.0
67.05513	7.0
69.03432	14.5
69.07074	6.4
70.52882	2.4
70.53216	1.1
74.61884	1.0
79.05503	13.1
81.07066	12.3
83.04221	1.0
83.04987	3.2
83.08614	1.9
90.12565	1.0
91.05493	11.1
93.07053	8.0
95.04997	2.6
95.08623	6.6
103.05460	9.9
105.07047	15.7
107.04975	6.2
107.08601	29.6
109.06507	2.3
109.10158	10.0
115.05489	2.2
117.07043	2.7
118.07813	1.5
119.06056	1.1
119.08596	6.7
121.06521	3.1
121.10161	16.4
122.07314	2.8
123.08035	1.4
129.07010	1.6
131.04951	16.4
131.08594	10.2
132.52196	0.8
133.10143	100.0
135.08076	7.0
135.11722	3.5
137.09634	13.1
143.08560	4.7
144.09335	1.2
145.10135	6.3
146.26588	1.0
147.11691	3.5
149.09622	3.7
149.13280	13.4
157.03761	0.9
158.10928	4.9
159.04453	2.9
160.05238	1.2
163.07549	8.1
163.14850	3.4
173.13271	19.0
176.04712	4.6
191.07094	8.8
191.10779	1.6
191.14317	27.8
194.81805	0.9
208.63081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95403	1.9
55.05508	5.6
57.03448	2.3
57.07080	3.9
57.84726	2.0
62.20130	2.1
67.05506	11.4
69.03427	7.9
69.07079	10.5
69.36426	4.8
69.36823	14.7
71.05003	10.5
75.56900	1.9
79.05495	11.7
81.07059	12.2
83.04965	7.5
83.08619	3.9
85.06537	4.6
91.05492	28.9
93.07056	15.3
95.04965	12.2
95.08633	13.2
97.06529	5.0
98.20773	2.9
100.41924	2.0
103.05463	9.2
105.07044	44.1
107.04935	4.4
107.08603	38.2
109.06535	15.6
109.10166	28.5
111.08092	2.7
115.05474	2.7
115.21973	2.3
116.06271	2.7
117.07029	9.7
118.04179	3.4
119.08591	20.3
121.06532	9.8
121.10153	21.8
121.89211	2.0
123.08068	8.9
123.11669	3.5
129.07008	7.2
130.04192	2.7
130.07780	3.1
131.04958	13.7
131.07021	2.0
131.08585	75.8
133.10144	81.0
135.08061	42.4
135.11687	4.9
143.08571	8.8
144.09328	5.5
145.10139	30.0
147.08000	3.4
147.11693	14.6
148.05251	3.6
149.09610	12.9
149.13298	18.5
158.10930	19.5
161.09602	4.7
161.13208	3.5
161.24702	2.3
163.07530	10.5
163.11205	4.4
163.14874	6.2
171.35553	2.2
173.09731	2.1
173.11780	3.6
173.13290	62.5
176.04700	5.6
176.12036	2.5
182.02849	2.1
191.07025	15.2
191.10698	9.2
191.14322	100.0
200.36360	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57701	2.2
52.60162	1.8
54.01638	1.9
55.01886	2.7
55.05523	9.8
55.98062	1.9
57.03449	3.0
67.05508	12.6
69.03416	9.2
69.07068	10.7
70.61649	6.3
71.04981	8.6
77.03838	1.8
79.05503	12.0
81.07053	13.7
83.04981	2.9
83.08608	3.1
85.06549	4.3
91.05481	27.3
93.07060	20.3
95.04989	13.9
95.08624	16.8
97.06531	9.1
103.02176	2.7
103.05473	12.7
105.07035	48.7
105.30634	2.1
107.04938	2.1
107.08598	40.6
107.48502	2.1
109.06524	19.7
109.10162	31.7
111.08046	3.0
114.05560	2.4
115.05451	4.4
116.06239	3.1
117.07053	10.3
118.04190	2.1
119.08587	26.4
121.06500	12.7
121.10143	25.9
123.08060	8.9
123.11704	7.1
129.07014	5.4
131.04922	8.3
131.08571	48.7
133.06462	2.3
133.10139	100.0
135.08064	42.5
135.11688	5.5
143.08571	8.9
143.89430	2.1
144.09328	4.8
145.10138	24.2
147.08003	2.5
147.11703	21.7
148.05219	3.9
148.08832	3.7
149.09631	33.9
149.13283	27.5
150.10445	2.5
158.10904	14.2
159.04417	2.3
161.09624	2.5
163.07542	12.8
163.11179	3.5
163.14839	6.2
173.13286	74.4
176.04726	6.3
176.12006	2.3
191.07021	12.0
191.10683	3.8
191.14328	94.4
193.87721	2.0
204.35428	1.8
205.67299	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03930	1.8
55.05513	6.7
57.03431	2.8
59.04992	1.6
64.42465	1.3
65.03910	1.3
67.05498	7.6
69.03431	7.1
69.07070	10.8
71.04985	3.9
71.28680	2.3
79.05502	10.3
81.07061	11.4
81.38790	1.2
83.04979	6.2
83.08627	3.4
85.06545	2.6
91.05492	15.7
93.07041	14.9
95.04966	5.0
95.08604	11.8
97.06540	6.8
103.05501	2.6
104.19193	1.4
105.07039	41.9
107.08599	33.7
109.06536	7.1
109.10165	8.3
111.08114	2.5
115.05447	2.1
116.06237	1.5
117.07014	6.1
119.07805	2.4
119.08589	19.7
121.06528	7.3
121.10152	26.5
123.08083	8.0
129.07002	3.8
130.07785	2.3
131.08577	41.1
133.10141	100.0
135.08069	15.4
135.11731	3.3
143.08553	9.6
144.09332	3.8
145.10132	22.0
147.11705	17.0
149.09662	11.0
149.12192	2.4
149.13268	21.9
158.10931	16.7
159.08104	1.7
161.09586	2.6
163.11159	1.6
163.14838	5.2
171.11748	1.5
173.13281	65.5
176.12010	1.6
179.62183	1.4
179.64876	1.3
191.14333	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05503	5.5
57.03426	1.6
57.04694	1.0
57.07070	2.7
57.96341	1.1
65.03930	1.4
67.05497	5.2
69.03438	3.4
69.07071	11.6
71.05001	2.4
71.23127	2.4
72.97470	1.2
79.05496	17.5
81.07054	8.2
83.04979	3.2
83.08620	4.9
85.06555	2.4
91.05489	22.6
93.07055	21.2
95.04986	4.2
95.08611	9.0
97.06537	5.1
103.05464	4.7
105.07045	33.3
107.04964	2.7
107.08607	100.0
109.06525	5.9
109.10156	6.2
111.08044	2.2
113.37150	1.2
115.05469	1.3
117.07024	4.9
119.06065	1.3
119.08600	30.0
121.06505	3.4
121.10152	35.3
123.04458	1.0
123.08053	3.0
129.07021	4.2
130.07777	1.3
131.04924	2.3
131.08582	39.4
133.10141	56.5
135.08055	10.9
135.11696	14.9
143.08591	8.5
144.09366	3.2
145.10133	20.9
147.11708	11.6
148.05258	1.3
148.12433	1.6
149.09622	3.7
149.13278	16.8
158.10930	15.2
161.09499	1.8
163.11218	1.5
163.14850	18.6
173.05994	2.0
173.13283	59.0
176.04750	2.2
191.03429	1.3
191.07010	6.8
191.14328	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03946	2.5
54.49192	1.3
55.01879	7.2
55.02092	1.2
55.05513	6.9
57.02719	1.3
57.03421	2.0
67.05511	7.9
69.03433	14.5
69.07076	23.6
70.94022	4.0
71.04995	1.7
71.78706	1.2
74.09101	1.3
75.85899	1.4
77.75590	1.2
79.05500	17.5
81.07063	11.8
83.04981	5.7
83.08642	2.6
91.05486	18.7
91.58347	1.3
93.07054	21.9
95.04964	5.7
95.08619	9.2
97.06523	3.8
103.05486	7.0
105.07053	25.3
107.04951	10.4
107.08599	40.3
109.06525	4.6
109.10143	9.8
115.05472	3.9
117.07024	6.4
118.07753	1.4
119.08591	10.3
121.06506	16.6
121.09337	2.3
121.10152	27.6
122.07278	2.6
123.08076	4.3
129.07001	1.9
130.07782	2.0
131.04974	6.3
131.08575	23.4
131.88184	1.3
133.10147	100.0
135.08067	16.2
135.11723	8.5
137.09625	7.1
143.08557	3.4
145.06480	2.6
145.09077	1.8
145.10135	18.7
147.07938	1.9
147.11691	30.0
148.05206	2.0
149.09645	10.2
149.13266	28.6
158.10909	9.5
159.08058	2.9
161.09615	3.3
163.07530	6.0
163.11198	4.2
163.14859	5.1
173.06017	4.5
173.09596	3.3
173.13286	29.7
176.04730	1.8
176.11977	2.3
191.07043	9.8
191.10776	7.1
191.14319	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.05495	4.8
57.03425	1.5
57.07108	1.3
57.34158	1.5
67.05527	8.2
69.03434	7.7
69.07063	6.6
69.88894	7.0
69.89227	1.4
71.04978	4.4
79.05492	9.0
81.07049	6.2
83.04989	7.1
85.06539	4.5
88.20438	1.5
91.05491	15.9
93.07050	10.2
95.04990	7.5
95.08588	5.7
97.06531	6.9
103.05470	3.8
105.07033	35.8
107.04927	2.4
107.08597	25.8
109.06522	10.6
109.10159	15.8
110.60901	1.4
111.08086	2.0
116.06247	1.9
117.07006	5.8
118.04169	2.3
118.07785	1.8
119.08595	14.1
121.06526	7.1
121.10152	17.4
123.08118	8.4
123.11652	2.1
128.14297	1.4
129.07004	4.2
131.04918	2.6
131.08578	44.1
133.10139	100.0
135.08067	21.5
135.11673	3.3
143.08554	8.0
144.09354	3.4
145.10136	22.9
147.11703	10.3
148.05103	1.9
149.09656	7.2
149.13272	16.7
158.10934	11.4
161.09648	2.6
161.13254	1.8
163.14827	4.5
173.13275	47.4
176.04771	2.4
191.07018	6.2
191.10660	4.9
191.14317	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0703
Annotation	Coixinden A
Peak:m/z	Relative Intensity
53.03931	3.3
55.01868	1.5
55.05496	3.8
57.07071	1.8
59.95413	0.8
65.03938	1.2
67.05507	5.9
68.98881	0.8
69.03426	7.5
69.07072	8.0
69.39977	7.2
71.04977	3.0
75.80212	0.8
76.88976	0.8
79.05501	12.4
81.03389	0.8
81.07072	4.7
83.05004	4.6
83.08633	1.8
85.06509	0.9
91.05487	14.1
92.06255	1.2
93.07047	11.9
95.04951	4.6
95.08606	11.2
97.06528	3.4
98.21541	1.4
102.04667	2.5
103.05470	64.9
105.03391	1.1
105.04556	0.8
105.07040	17.4
107.04956	8.4
107.08601	25.2
109.06500	4.8
109.10172	4.5
115.05493	4.9
116.06227	1.3
117.07021	7.3
118.04171	3.3
118.06508	1.3
119.04918	1.7
119.08575	10.1
120.05716	3.1
121.02844	1.1
121.06518	8.0
121.10153	13.6
123.08044	3.6
129.06992	3.4
130.04135	3.4
130.07787	2.0
131.04936	100.0
131.08575	23.6
132.05684	1.9
133.02805	1.2
133.06494	4.3
133.09128	1.3
133.10139	22.5
135.04381	2.9
135.08057	22.9
135.11664	5.2
136.08841	0.9
137.09618	2.3
143.08525	2.9
144.09320	1.1
145.02834	1.0
145.06483	3.9
145.10135	13.7
147.04422	4.0
147.08029	2.3
147.11694	9.6
148.05203	12.5
149.05948	1.6
149.09627	6.6
149.13274	8.3
158.10895	5.1
159.04434	24.8
159.08084	1.7
160.05188	4.9
161.09613	2.5
162.06760	1.4
163.03923	9.6
163.07555	59.8
163.11208	2.8
163.14847	2.2
173.06001	2.2
173.09615	2.6
173.13274	18.0
176.04700	31.3
176.08295	1.8
176.11978	1.5
191.03400	15.8
191.07021	71.7
191.10719	10.1
191.14313	51.6
191.17970	1.8
201.06502	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78791	0.4
54.04608	0.4
55.03012	0.5
59.06891	0.4
67.96674	0.5
69.38914	1.4
69.39342	2.5
81.15187	0.4
89.03903	0.7
90.92465	0.4
91.05483	2.9
92.05867	0.5
92.39844	0.4
92.50691	0.4
102.04701	7.8
103.05467	4.8
105.03421	0.6
105.07071	0.8
106.07429	0.7
115.05496	2.1
116.06240	1.6
117.03397	4.1
118.04146	1.2
119.04962	3.7
120.08929	0.6
129.03371	1.9
129.04405	0.9
129.18822	0.4
130.04164	5.6
131.04945	9.7
132.05725	6.3
133.02887	0.6
133.06453	0.5
133.94821	0.4
134.10461	0.6
143.04922	3.5
144.05664	0.9
145.02823	1.4
146.03537	0.6
147.04428	52.6
148.05252	2.3
149.02348	1.4
157.02902	3.1
158.03612	2.0
159.04414	3.5
160.05222	10.8
161.05948	1.3
162.06419	0.5
163.07634	3.2
172.05228	0.7
175.03922	28.4
176.04677	1.4
190.06268	100.0
190.16725	0.7
191.07019	3.5
191.14386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03953	0.8
55.05509	5.5
55.47976	0.6
57.07074	0.6
67.05504	4.5
67.07664	0.6
69.06742	0.7
69.07079	9.9
69.51385	4.6
77.61417	0.6
79.05489	2.0
81.07063	6.7
83.08603	2.5
91.05492	10.1
93.07066	4.4
95.08617	23.8
105.07046	28.9
107.08607	9.1
109.10194	3.2
117.07068	1.5
119.08598	47.9
121.10153	4.7
131.08577	8.4
133.10147	39.3
145.10156	7.8
146.10953	3.9
147.11705	39.7
159.11716	4.2
160.12514	1.8
161.13260	6.7
174.14052	3.1
187.14812	1.0
189.16403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.96571	1.2
69.03445	0.5
71.49348	0.5
72.93773	0.5
73.02905	0.3
81.03409	0.4
84.96091	0.3
85.02923	0.9
87.04473	0.5
88.95301	0.4
89.03938	1.1
90.94844	0.3
91.05499	0.4
97.02911	0.8
98.97593	1.4
108.19170	0.3
116.04977	4.0
116.98695	0.4
121.02858	2.2
122.43973	0.3
130.96303	0.6
131.04907	0.3
134.05991	0.5
136.80554	0.3
144.04396	1.7
148.97394	0.9
149.02333	1.1
162.05507	100.0
163.05835	1.1
167.05527	0.4
172.03874	0.5
172.12177	0.3
190.04993	34.2
190.13069	0.7
191.03386	0.8
191.05188	0.3
191.07080	0.4
194.99719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
53.03939	1.7
55.01873	2.0
55.05496	3.4
56.36204	1.2
57.07070	1.0
59.05014	5.5
62.97812	1.1
65.03918	2.0
67.05499	2.5
67.35845	1.0
69.03403	2.2
69.07050	1.9
71.48957	2.2
79.05486	3.9
81.07048	2.4
83.04982	10.8
85.02882	1.7
91.05484	41.9
93.07034	1.9
95.04947	1.8
95.08614	1.7
103.05453	3.4
105.07037	36.7
107.04947	3.1
107.08582	3.4
109.06523	5.6
115.05466	6.5
116.06194	4.3
117.07011	5.7
119.04950	88.4
119.08594	39.0
120.05227	1.1
121.06500	4.4
128.06229	17.9
129.07024	27.9
130.07724	4.0
131.04932	8.4
131.08577	48.7
133.06509	5.9
133.10152	8.1
141.06985	9.4
142.07820	6.9
143.08572	32.7
144.05737	1.2
144.09314	1.1
145.06522	5.8
145.10132	24.8
146.03619	2.3
146.07257	11.1
147.04457	1.7
147.08057	34.2
147.11720	9.8
148.05190	6.1
155.06059	2.1
155.08565	5.4
156.09355	88.3
157.06528	5.6
157.09795	1.8
159.08026	5.3
159.11710	9.3
160.05203	9.2
160.08847	3.6
161.05994	47.7
161.09631	40.4
161.13257	7.4
162.56105	1.2
171.11694	100.0
172.11984	1.4
174.06761	9.0
174.10408	7.4
189.05478	3.4
189.09128	56.4
189.12744	65.6
189.16386	3.1
190.13097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50547	1.1
51.32946	1.1
51.77194	1.3
53.03947	1.6
55.01875	1.2
55.05503	4.6
67.05506	4.3
69.03439	18.5
69.07064	4.3
69.45676	8.2
79.05491	5.5
81.07055	3.7
83.04969	2.6
91.05495	17.0
93.07051	7.7
95.04953	2.5
95.08614	1.8
103.05444	1.8
105.07044	44.5
107.04917	1.6
107.08614	6.8
109.06554	1.4
115.05437	3.3
117.07040	7.0
119.04981	8.1
119.08600	57.2
121.06502	4.9
121.10117	2.7
128.06241	5.1
129.07018	8.6
131.08572	12.8
132.05646	1.9
132.09357	1.3
133.06543	8.9
133.10158	17.6
135.08075	10.0
141.06990	7.1
142.07813	2.8
143.08577	16.4
144.09360	1.8
145.06537	2.8
145.10153	15.4
146.07275	2.4
146.10947	1.9
147.08061	27.6
147.11710	38.9
155.08519	1.3
156.09361	31.7
159.08081	9.4
159.11729	8.1
160.08856	3.9
161.06021	4.6
161.09627	13.0
161.13290	25.4
171.10323	0.7
171.11708	43.8
174.10439	13.5
189.09235	8.1
189.12766	100.0
190.13022	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.5
67.05501	2.6
69.03428	5.4
69.07057	2.0
79.05487	2.7
81.07060	1.9
83.04952	1.0
91.05492	8.6
93.07046	2.1
95.04979	0.8
98.21526	2.9
105.07037	16.6
107.08582	2.5
109.06543	1.0
115.05466	1.5
117.07014	3.9
119.04958	1.4
119.08588	32.3
121.06498	1.4
121.10190	1.3
128.06255	2.4
129.06999	3.7
129.98715	0.9
130.07768	1.6
131.08569	9.6
133.06508	3.6
133.10118	12.2
135.08040	3.6
141.06955	6.1
142.07809	1.4
143.08572	5.3
145.06490	2.0
145.10152	11.0
146.07281	1.2
146.10893	1.9
147.08052	13.1
147.11697	23.2
155.08525	1.8
156.09348	31.3
159.08098	11.0
159.11711	5.6
160.08841	4.0
161.05962	1.4
161.09601	7.2
161.13261	15.6
171.11703	41.9
174.10410	25.5
189.09129	3.6
189.12750	100.0
190.13101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57092	1.5
69.03415	4.9
69.51346	9.6
88.09604	1.4
91.05480	4.3
105.07042	11.0
114.28187	1.5
117.07017	5.3
117.91488	1.5
119.08598	19.4
124.90563	1.7
128.06213	4.9
129.06963	7.4
130.07753	4.5
131.08589	9.1
133.06548	2.4
133.10135	7.2
141.06985	8.3
143.08545	7.0
144.09406	2.2
145.06462	2.9
145.10136	17.2
146.07336	2.2
146.10915	2.6
147.08080	10.7
147.11687	17.5
155.08536	3.4
156.09357	54.4
159.08046	7.3
159.09303	1.8
159.11752	14.7
161.05952	2.8
161.09601	5.6
161.13271	2.5
171.11699	75.2
173.72610	1.5
174.06796	2.4
174.10431	9.4
189.09148	7.2
189.12752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.092
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
52.37150	0.3
55.05509	0.6
55.65602	0.3
56.05044	2.4
57.03434	1.1
58.06601	0.3
59.05008	2.3
60.04519	1.5
61.02934	9.0
63.12516	0.4
68.05048	0.4
69.03420	1.3
70.02959	2.8
71.04997	1.4
71.49187	0.5
73.02914	0.4
73.41461	0.3
75.04464	0.6
82.06593	3.7
83.04994	4.8
84.04510	100.0
85.02911	18.3
85.84052	0.3
86.06062	0.6
87.04468	6.7
91.05490	0.5
95.74254	0.3
96.04553	0.5
98.06069	0.6
100.07623	2.2
101.05981	0.4
110.06049	3.6
111.04456	1.3
118.06538	0.4
119.04948	0.4
126.05522	5.5
128.06210	0.3
128.07077	5.9
129.05505	0.9
129.07048	0.8
130.07367	0.4
133.80467	0.3
145.06490	0.6
145.37694	0.4
146.06056	0.8
146.08183	0.9
160.08536	0.4
161.06018	0.7
161.09627	0.5
170.08119	0.8
174.06807	0.5
188.07985	0.6
188.09238	8.1
188.11565	1.3
189.09088	2.2
189.12720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38719	0.2
54.98645	0.4
55.01886	0.6
56.96569	13.4
57.03443	1.0
60.08168	0.5
61.02916	0.3
69.03448	0.3
69.52293	2.1
70.06602	0.3
70.98126	0.8
71.95280	2.2
73.02914	0.7
84.08151	1.9
85.02886	0.3
86.03794	0.3
88.99185	0.3
95.01295	0.3
97.02909	0.3
98.80624	0.2
98.97593	100.0
99.97899	0.4
101.00880	1.3
101.02394	0.8
103.00609	0.6
103.02481	0.4
110.97582	0.8
115.03930	0.6
116.98631	36.0
117.95561	0.3
119.01900	1.5
121.01656	0.6
128.98593	0.7
129.02261	1.5
129.03984	0.7
130.08635	0.6
134.99669	7.0
140.00188	0.8
143.01912	0.5
145.01628	0.3
147.03278	2.7
147.05037	1.1
153.00743	0.3
157.01344	1.0
158.01195	0.3
161.02997	0.4
163.02661	0.3
165.04352	1.1
168.05470	0.5
170.99675	0.3
171.04996	0.4
189.00754	0.6
189.02605	0.4
189.04350	6.6
189.06068	1.7
189.87025	0.3
207.01720	0.4
207.03484	0.4
207.05406	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	188.0919
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
50.85670	0.4
52.63280	0.4
55.05507	1.3
56.05035	2.6
56.05256	0.4
57.03434	0.9
59.05005	3.1
59.43188	0.4
60.04519	1.4
61.02933	8.6
67.05486	0.5
68.05036	0.7
69.03436	1.1
70.02950	2.3
70.06573	0.5
71.04998	1.3
72.04513	0.5
75.04472	0.9
81.07090	0.6
82.06588	3.2
83.05000	4.5
84.04511	100.0
84.08183	0.5
85.02913	19.0
86.06087	0.5
87.04476	5.7
96.04547	0.6
98.06023	0.5
100.07617	2.3
110.06039	3.4
111.04459	1.4
112.03965	0.7
115.05482	0.4
118.06580	1.4
126.05534	5.3
128.07079	5.6
129.05527	0.7
138.39297	0.4
145.06119	0.5
146.06001	2.2
146.08168	1.3
147.06578	0.4
160.13345	0.4
170.06013	0.6
170.08023	0.5
188.04443	0.4
188.07806	1.2
188.09239	7.4
188.10757	0.4
189.09171	0.9
205.53946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02390	0.5
69.04195	0.5
71.22021	1.2
74.92177	0.4
91.05476	4.6
115.05466	5.8
116.06232	0.5
117.05769	1.2
117.07021	5.0
118.06547	73.3
119.06920	0.9
128.04968	0.7
134.23746	0.5
142.06526	5.8
143.07307	13.7
144.04480	0.9
144.08092	27.4
146.06017	100.0
147.06418	1.0
155.06039	1.5
160.07527	0.7
170.06013	9.5
188.07079	19.4
203.48097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
70.58636	1.1
74.15708	0.4
80.30322	0.4
91.05483	4.2
103.05469	0.5
115.05457	4.5
117.05778	1.8
117.07008	3.8
118.06544	66.7
119.06915	0.4
128.04958	0.4
132.08095	0.5
137.54443	0.4
142.06519	4.9
143.06229	0.7
143.07306	10.3
144.04474	0.9
144.08089	22.9
145.06499	0.6
146.06013	100.0
147.06369	0.7
155.06059	0.9
156.64764	0.4
160.07565	1.3
170.06004	9.0
188.07071	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03948	0.8
55.05513	1.0
57.07076	1.2
66.93424	0.5
67.05512	1.8
69.07059	1.3
70.64966	1.3
70.65302	0.6
79.05513	2.5
81.07062	4.8
83.08599	0.9
88.02249	0.8
91.05480	6.1
93.07038	3.4
95.08625	2.7
105.07043	10.6
107.08619	2.1
115.05453	1.3
116.06242	1.2
117.07022	9.4
119.08588	52.9
120.08967	0.7
128.06248	1.4
128.94734	0.5
129.06970	3.4
130.07809	6.2
131.08583	16.1
133.10164	2.9
142.07826	0.6
143.08572	11.8
144.09355	3.7
145.10132	100.0
146.10497	0.8
157.10141	9.4
158.10913	10.5
159.11707	17.3
172.12482	8.4
185.13373	0.8
187.14830	70.7
188.15208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
57.07076	1.3
59.13056	0.5
63.69168	0.5
66.63210	0.4
67.05496	1.2
69.07062	1.1
70.00400	0.5
71.08521	1.0
79.05491	2.0
81.07063	3.2
88.02210	0.7
91.05478	4.8
93.07042	2.5
95.08607	2.2
102.38656	0.4
103.05483	0.6
105.06339	0.6
105.07037	9.0
107.08614	1.6
115.05470	1.7
116.06246	0.7
117.07031	8.6
119.08586	25.9
121.59369	0.5
128.06190	1.4
129.07025	3.3
130.07788	6.4
130.56662	0.4
131.08574	13.8
133.10100	2.4
141.06912	0.4
142.07787	0.8
143.08569	9.5
144.09406	2.7
145.10129	100.0
146.10492	1.5
157.10144	9.1
158.10915	10.5
159.06953	0.6
159.08122	0.6
159.11713	13.6
170.10974	0.7
172.08885	0.7
172.12506	7.7
185.13242	0.5
187.07608	1.2
187.11218	2.1
187.14828	73.3
188.15166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1483
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
57.07087	0.8
65.05241	0.6
67.05511	1.3
69.07066	1.4
69.38612	5.7
79.05503	1.6
81.07067	3.5
91.05495	5.7
93.07044	1.7
95.08591	1.6
103.05511	0.7
105.07039	9.0
107.08603	0.9
115.05441	1.7
116.06258	1.1
117.07021	8.2
119.08591	26.6
128.06223	1.1
129.07027	2.0
130.07806	5.7
131.08577	13.1
133.10159	1.8
143.08580	8.8
144.09361	3.6
145.10138	100.0
146.10480	1.1
157.10146	6.8
158.10945	9.3
159.11703	13.7
172.12462	6.7
185.13318	0.9
187.14836	72.2
188.15190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59655	0.3
53.03936	0.4
59.70630	0.3
66.75441	0.3
67.01838	0.3
67.05501	0.9
69.03458	0.5
69.31171	1.8
79.05493	0.6
80.24492	0.3
81.03419	0.3
88.02215	0.5
91.05487	3.5
93.06983	0.3
103.05463	2.0
105.07042	6.3
115.05418	1.5
116.06245	1.3
117.07021	4.8
119.08591	12.0
127.05459	0.3
128.06216	2.6
129.07014	12.1
130.07822	2.3
131.04924	1.9
131.08574	9.2
133.10207	0.3
141.06987	0.9
142.07791	0.9
143.08569	2.4
144.05724	3.1
144.09354	20.0
145.06520	0.5
145.10132	7.6
147.07997	0.6
153.07021	0.3
154.07828	1.0
155.06041	0.6
156.05682	0.4
157.06522	1.7
157.10118	2.4
158.07214	0.6
158.10835	0.7
159.04413	0.5
159.08073	6.7
159.11703	30.1
169.10143	1.6
171.08078	0.7
172.05275	2.1
172.08841	10.0
172.12415	0.7
173.00832	0.4
186.10388	0.7
187.07634	11.9
187.11192	100.0
188.11510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01880	0.9
55.05506	1.1
57.03446	0.7
65.03925	1.3
67.05496	2.0
68.99789	2.2
69.03435	1.5
69.07068	2.1
69.34288	0.5
69.52548	4.4
70.06596	5.4
71.05006	0.6
72.08165	1.4
73.29684	0.5
75.04469	1.3
79.01856	1.9
79.05483	1.9
80.02605	0.6
81.03473	0.8
81.07051	2.4
82.04200	2.3
83.04982	1.6
83.08600	0.7
85.02908	1.2
86.09695	2.1
87.00064	0.6
89.80707	0.5
91.05473	1.2
91.15331	0.6
93.03428	1.0
93.07066	1.8
95.01326	9.6
95.04995	2.9
95.08572	1.3
97.02917	0.9
97.06536	1.8
98.97570	1.2
99.04482	1.5
107.01324	2.8
107.05004	0.6
107.08572	1.2
109.02895	1.2
109.06522	1.5
110.03670	31.1
111.04451	8.3
111.08057	0.7
117.03395	1.0
121.06506	1.5
121.10133	1.3
123.00729	0.6
123.04441	3.3
125.02362	2.5
125.06002	84.1
125.09629	1.4
126.03201	1.5
126.05537	0.9
127.03915	5.5
128.06197	1.2
129.06995	1.5
131.72928	0.7
135.04425	0.9
138.03125	1.4
139.02806	1.3
139.03905	23.5
139.11206	1.5
141.05455	0.9
141.07007	0.8
142.06180	0.7
142.07742	0.8
143.08641	0.8
145.02846	1.0
149.09608	0.8
151.07602	0.7
153.01953	3.4
153.05476	100.0
154.06259	41.6
155.03395	2.8
155.06956	0.9
157.10132	1.5
163.01871	0.9
167.07092	1.4
167.10724	0.8
170.05771	6.5
170.10934	1.4
181.02971	0.9
185.08112	26.2
185.13293	2.1
203.59193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05038	1.3
58.06615	0.8
60.08168	18.8
69.51615	0.4
70.06600	0.6
70.55724	0.7
70.56120	0.9
71.07378	11.7
71.95248	0.6
86.09711	100.0
87.10049	0.9
98.98474	17.5
101.95037	14.9
104.10750	4.8
113.86233	0.3
119.96076	4.5
125.00012	82.6
126.00363	0.6
129.06995	0.4
137.97136	2.4
143.01094	0.6
143.08594	0.5
155.98128	0.5
157.10109	0.4
160.98674	0.9
169.09999	0.7
170.10999	0.8
178.99818	0.4
184.07355	92.4
185.07721	0.9
185.13248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0809
Annotation	UNII-Z02B4Y02FV
Peak:m/z	Relative Intensity
53.03952	0.8
55.01880	0.9
55.05506	1.1
57.03446	0.7
65.03925	1.3
67.05496	2.0
68.99789	2.2
69.03435	1.5
69.07068	2.1
69.34288	0.5
69.52548	4.4
70.06596	5.4
71.05006	0.6
72.08165	1.4
73.29684	0.5
75.04469	1.3
79.01856	1.9
79.05483	1.9
80.02605	0.6
81.03473	0.8
81.07051	2.4
82.04200	2.3
83.04982	1.6
83.08600	0.7
85.02908	1.2
86.09695	2.1
87.00064	0.6
89.80707	0.5
91.05473	1.2
91.15331	0.6
93.03428	1.0
93.07066	1.8
95.01326	9.6
95.04995	2.9
95.08572	1.3
97.02917	0.9
97.06536	1.8
98.97570	1.2
99.04482	1.5
107.01324	2.8
107.05004	0.6
107.08572	1.2
109.02895	1.2
109.06522	1.5
110.03670	31.1
111.04451	8.3
111.08057	0.7
117.03395	1.0
121.06506	1.5
121.10133	1.3
123.00729	0.6
123.04441	3.3
125.02362	2.5
125.06002	84.1
125.09629	1.4
126.03201	1.5
126.05537	0.9
127.03915	5.5
128.06197	1.2
129.06995	1.5
131.72928	0.7
135.04425	0.9
138.03125	1.4
139.02806	1.3
139.03905	23.5
139.11206	1.5
141.05455	0.9
141.07007	0.8
142.06180	0.7
142.07742	0.8
143.08641	0.8
145.02846	1.0
149.09608	0.8
151.07602	0.7
153.01953	3.4
153.05476	100.0
154.06259	41.6
155.03395	2.8
155.06956	0.9
157.10132	1.5
163.01871	0.9
167.07092	1.4
167.10724	0.8
170.05771	6.5
170.10934	1.4
181.02971	0.9
185.08112	26.2
185.13293	2.1
203.59193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0731
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05034	1.2
58.06595	0.9
59.07387	0.4
60.08171	21.8
64.99532	0.4
65.30826	0.4
66.26521	0.3
68.03484	0.4
69.60422	1.6
70.15601	0.3
71.07381	10.7
86.09714	100.0
87.10051	1.1
93.90971	0.3
98.21413	0.6
98.98477	17.6
100.66837	0.4
101.95045	7.3
104.10760	4.9
117.16174	0.4
119.96078	1.4
125.00015	80.7
137.97124	0.6
143.08600	0.5
153.53458	0.4
155.08453	0.4
157.10168	0.4
160.55785	0.4
169.10121	0.9
170.10915	0.5
184.07356	98.2
185.07745	0.9
185.13292	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.43588	0.5
56.05033	1.1
56.77011	0.5
58.06604	0.8
59.07404	0.5
60.08167	20.9
65.97419	0.4
70.06593	0.5
71.07378	12.7
71.95272	0.9
86.09711	100.0
87.10027	0.7
93.14375	0.5
96.59373	0.6
98.20728	1.0
98.46225	0.5
98.98474	19.6
101.94407	0.9
101.95042	13.4
104.10754	4.3
106.03693	0.6
119.96079	5.4
125.00011	84.1
137.97116	3.0
143.01065	0.7
157.10112	0.7
160.98708	1.5
167.35309	0.4
168.73717	0.4
169.09924	0.6
170.10844	0.6
184.07353	97.6
185.07584	0.8
185.13268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
56.96300	0.5
56.96575	3.1
57.03451	3.1
61.02934	1.2
69.03429	2.7
70.84928	1.1
72.35614	0.5
73.02914	3.7
77.46982	0.5
81.03403	0.6
82.99846	9.9
84.01208	0.6
85.02918	2.5
89.98170	0.6
95.02585	0.6
96.87817	0.5
97.02890	1.7
98.97599	2.1
100.02569	0.8
100.52738	0.9
101.00893	64.9
101.95010	0.6
102.00972	1.9
102.02293	0.7
103.00618	2.0
103.02232	0.6
111.00406	0.6
112.02788	0.5
113.00873	1.1
114.00948	1.1
115.00616	2.4
115.02424	1.3
116.98624	0.9
119.01932	100.0
120.01993	3.0
121.01640	1.0
123.02945	0.6
124.02462	4.5
131.01930	1.5
132.02049	1.1
133.01665	3.8
133.03374	0.7
134.95792	0.6
137.02971	12.4
142.03513	22.5
143.01926	4.2
144.02055	1.5
145.01636	1.8
145.03368	0.6
146.03575	0.7
151.02744	0.8
155.01869	0.7
156.02042	1.3
156.03296	2.2
157.01607	1.2
160.04576	3.3
161.01134	1.2
161.02983	14.2
161.04216	0.5
172.20085	0.5
173.02972	1.1
174.03133	0.8
175.02716	1.2
179.02397	1.0
179.04013	9.3
184.02847	1.2
184.04526	0.9
185.02946	0.7
186.03181	0.8
187.02711	0.9
202.03694	0.6
203.04095	0.9
204.04292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.138
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03933	4.0
55.01883	3.8
55.05513	13.4
56.78642	2.0
57.03423	5.5
57.07063	4.4
67.05506	36.9
69.03394	3.1
69.07083	18.1
70.81222	5.7
71.04998	13.5
79.05493	14.5
81.07058	97.4
82.91352	2.2
83.04971	6.7
83.08611	7.2
85.06556	13.3
91.05493	17.2
93.07040	18.9
94.47610	2.4
95.04961	13.6
95.08611	29.5
97.06536	5.6
98.98469	12.7
99.04459	5.4
99.08073	9.8
101.95004	4.2
105.03413	13.8
105.07038	37.6
107.08615	12.2
109.06524	8.5
109.10143	4.9
111.08084	5.9
113.06001	3.1
115.81236	2.4
117.07041	3.5
119.08572	31.9
121.10147	33.3
123.04424	8.8
123.08067	5.7
123.10838	4.6
123.11713	70.2
125.09675	2.5
129.07037	7.6
130.19493	2.4
137.13202	4.2
140.04692	3.8
141.06982	43.3
142.07777	3.7
147.11685	70.2
153.06978	11.7
154.07793	2.7
155.08540	28.2
164.57669	2.5
165.07071	3.0
165.12759	30.5
166.07770	4.6
167.08536	3.0
168.09355	32.2
181.10106	7.9
183.11696	100.0
183.13489	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	183.1017
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
50.01616	0.5
51.02385	1.5
53.03950	14.0
55.01880	6.0
55.05514	1.8
56.96559	2.4
57.03442	1.1
57.07091	0.7
65.03944	5.7
66.04715	0.6
67.05505	10.2
69.03432	1.4
69.07071	2.3
70.06597	0.6
71.05006	4.1
71.48528	0.9
72.08185	0.7
77.03938	2.4
79.05494	8.8
81.03421	2.6
81.07055	6.8
83.04990	1.9
85.02905	1.8
85.06548	1.5
91.05478	4.8
93.03422	0.9
93.07040	3.2
94.04191	3.5
95.04974	88.2
95.08605	5.6
96.05293	1.1
97.02898	1.2
97.06557	3.2
98.97584	2.7
98.98462	6.0
99.04458	7.2
99.08106	2.3
103.05473	4.3
105.03416	9.3
105.04513	8.8
105.07039	34.4
107.04950	0.9
107.08586	1.4
107.70426	0.6
108.02084	0.8
109.02883	0.6
109.06539	3.5
109.10189	1.7
110.97529	0.7
111.04449	2.1
111.08076	1.0
118.98284	0.6
119.04948	3.5
119.08585	2.8
121.04005	0.9
121.06553	0.7
121.10198	0.8
122.03651	8.6
123.04437	70.5
123.08048	3.7
123.11678	1.0
124.05333	0.7
124.07597	2.7
125.02351	4.8
125.06040	2.5
125.09617	1.2
127.01569	1.5
127.07583	2.0
133.02876	1.9
133.06505	26.6
137.05988	100.0
137.09636	2.5
137.13283	0.7
138.06357	1.4
138.09158	1.1
139.03893	0.6
140.04695	27.5
141.07104	0.6
143.00148	0.6
147.04442	6.9
147.08064	1.4
147.11713	0.8
148.04727	0.7
155.07057	15.9
155.08374	0.7
155.10645	1.2
165.09122	6.6
165.12717	0.8
166.08620	0.7
183.02914	1.3
183.06554	4.5
183.08055	1.3
183.10278	2.9
183.11574	0.6
183.13818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	3-Hydroxy-4-methoxyphenylacetic acid
Peak:m/z	Relative Intensity
51.02395	0.6
53.03953	1.8
55.01871	0.7
55.05503	0.3
56.96559	0.5
57.03444	0.4
57.07067	0.4
59.66679	0.3
65.03954	1.3
67.05518	1.4
69.03449	0.6
69.72524	1.8
77.03941	2.6
79.05514	1.6
79.14420	0.3
81.03421	0.7
81.07066	0.9
83.04964	0.5
91.05497	1.0
93.03414	1.8
94.04189	3.7
95.04974	5.7
95.05502	0.5
95.08636	1.0
95.89642	0.3
98.98476	1.9
99.04480	0.5
105.03407	6.8
105.04520	0.7
107.04976	1.6
109.02917	0.7
109.06533	1.0
110.03677	10.2
110.04388	0.8
111.04460	1.6
119.04966	0.8
119.08598	0.5
121.10183	0.3
122.02783	0.5
122.03667	8.9
123.04451	4.2
123.08073	0.7
125.06010	15.3
127.01560	0.5
133.02870	100.0
134.03220	0.7
137.05994	47.9
140.04718	1.0
147.04417	0.6
155.07079	0.8
165.05504	14.3
165.09163	0.4
183.06566	3.8
183.08099	0.6
183.10056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
50.01593	0.6
51.02390	1.4
51.35241	0.5
52.03199	0.6
52.66003	0.4
53.03952	16.1
55.01874	3.9
55.05505	0.7
61.94462	0.5
65.03947	4.8
67.05511	9.9
69.03455	0.6
71.05009	0.9
71.17964	0.5
77.03938	4.4
79.05504	0.9
81.03419	2.4
81.07073	2.8
83.04976	0.6
85.02890	0.6
91.05505	0.7
93.03407	0.9
93.07052	1.3
95.04975	100.0
95.08620	2.4
97.02882	0.9
98.98462	2.5
99.04488	1.3
105.03458	3.2
105.04518	9.7
105.07038	0.8
108.02151	0.7
111.04458	0.9
119.08624	0.7
121.04040	1.1
123.04438	81.5
123.08054	1.6
124.07566	0.7
125.02364	5.0
125.05940	0.6
125.09544	0.5
127.07596	0.8
137.05963	0.8
137.09619	1.0
140.04692	33.8
141.19017	0.6
155.07051	19.9
165.09085	0.6
183.06619	4.1
183.10106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
55.01851	1.4
55.05517	8.2
57.03429	1.7
57.07071	2.8
58.02964	33.0
67.05508	21.7
68.05851	0.9
69.07071	61.4
69.16982	9.1
70.06576	3.5
71.04984	1.0
74.06062	1.4
79.05499	7.3
81.06598	1.3
81.07056	21.3
83.04958	1.3
83.08624	7.3
84.08147	9.0
86.06079	1.6
90.09900	0.8
91.05488	4.6
93.07056	12.0
95.04952	2.6
95.08616	6.5
97.06509	4.2
98.06068	2.1
98.09672	2.7
98.97521	1.0
100.07631	7.4
105.06411	1.2
105.07040	14.3
107.08600	16.2
109.06496	2.9
109.10165	44.8
112.07591	3.7
114.09179	12.7
119.08607	1.8
121.10182	1.3
123.11703	8.2
124.11268	1.2
125.13131	1.0
126.09158	11.6
126.12795	1.4
129.85666	1.0
133.10136	28.7
135.11702	18.1
138.12782	22.3
147.11694	4.9
151.11186	9.9
153.12753	14.0
164.14310	2.6
165.12778	2.9
182.15413	100.0
183.11710	1.7
183.15738	2.3
186.13058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.03952	1.3
55.01856	1.4
55.05503	1.1
56.96570	6.2
57.03441	4.5
58.99861	2.4
61.02916	1.5
64.97197	0.7
65.03910	0.7
69.03437	3.6
70.84068	2.0
70.99859	1.9
73.02924	3.8
77.00904	0.9
78.87042	0.7
81.03416	1.8
82.01447	4.4
82.99848	0.8
84.96022	0.9
85.02914	3.6
85.50058	0.7
87.04477	1.1
88.02712	0.9
89.00818	0.9
91.02442	0.8
91.05488	35.8
92.05827	0.6
95.04974	17.8
97.01417	0.8
97.02882	3.4
98.97594	5.7
100.02497	8.6
101.00909	3.8
102.02357	1.1
103.05466	1.8
107.04964	1.7
109.02867	0.9
109.06523	1.6
110.01292	1.4
110.97576	1.2
111.02983	1.1
113.00874	7.6
114.02410	0.7
115.02442	2.4
116.98598	1.5
118.03571	3.0
118.06564	2.3
119.01908	5.7
119.04951	42.6
121.06559	1.5
123.04436	53.0
126.98816	1.7
127.02446	1.1
127.04060	1.7
129.03912	0.8
131.01910	21.8
131.02853	1.3
132.03432	1.2
133.03479	2.6
136.02487	1.4
136.07588	100.0
137.02821	1.1
137.05934	1.0
138.03441	1.0
140.03265	0.8
141.04022	0.7
143.01906	4.4
144.99873	3.8
145.03438	4.2
147.04407	20.2
149.02942	4.1
154.03514	13.2
155.01936	2.7
156.05040	0.9
157.03531	1.9
158.99663	1.1
159.01405	3.2
159.03183	1.0
159.05061	1.6
161.02994	1.9
164.04317	0.8
164.05676	0.8
164.07045	1.1
165.05490	26.2
167.01973	1.5
168.01436	2.0
168.05049	1.2
172.04585	2.2
173.03011	1.8
175.04662	0.8
177.00859	1.0
177.02426	8.9
182.03017	3.2
182.04541	1.8
182.08139	6.5
185.02988	2.8
195.03485	1.2
200.04063	3.7
201.00847	1.1
203.04034	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
50.08589	1.1
50.64187	1.0
53.03938	4.9
55.01863	1.3
55.05518	5.7
58.02964	3.0
65.03956	5.6
67.05202	1.5
67.05514	18.7
69.03436	1.6
69.07069	4.8
70.02953	1.3
70.06590	1.2
70.08385	3.1
73.39516	1.0
77.03931	1.2
79.05502	33.8
80.05019	2.8
80.05812	1.2
81.06608	2.5
81.07064	44.5
82.02936	1.4
83.08611	3.6
84.08131	2.6
86.02422	3.5
86.67094	1.1
90.04225	1.3
91.05495	6.8
92.04987	1.5
93.05765	6.4
93.07040	1.5
94.06563	2.4
94.07368	1.3
95.04973	15.6
95.08635	1.5
96.04491	3.0
97.05298	2.0
97.06537	11.0
98.06075	2.9
98.09680	4.4
98.97594	1.6
98.98432	1.0
105.03395	2.8
106.06580	1.4
107.07324	4.5
107.95824	1.1
108.04484	2.4
108.05194	1.1
108.08127	65.4
109.06534	8.3
109.07138	1.7
110.06050	3.5
118.03735	1.6
118.06522	4.0
120.04489	2.3
121.05244	4.6
122.06064	2.8
122.06837	1.1
122.10487	1.4
123.04436	8.3
124.05206	1.5
124.07608	2.4
125.06004	30.5
126.05524	31.3
126.06411	2.2
126.09165	22.1
126.23898	1.1
126.43454	1.2
134.06032	1.9
136.04819	2.6
136.07587	100.0
137.05991	4.2
137.07944	1.3
138.05479	3.3
138.06403	2.1
140.04639	3.2
140.07004	1.7
140.10640	1.8
141.05464	1.4
146.03175	2.4
147.04399	2.8
150.06371	1.4
153.05478	1.3
153.07857	3.5
154.08640	25.8
155.07056	2.2
158.97414	1.5
164.04265	10.2
164.07083	94.9
167.50696	1.1
182.00938	2.7
182.08142	96.5
191.96078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03952	5.3
55.01858	3.4
55.05522	9.3
56.96561	1.1
57.07069	3.0
62.39963	0.8
65.03950	5.0
67.05518	6.3
69.03423	3.5
69.07082	6.6
69.68089	2.1
69.68500	3.3
69.79086	0.8
71.04990	1.4
75.04472	2.1
77.03935	2.0
78.04704	1.4
79.05084	1.6
79.05502	22.9
81.07053	6.2
82.04212	1.0
83.04987	3.0
85.02911	2.0
85.06530	1.0
89.03922	15.7
91.05491	34.8
92.06258	1.3
93.03397	3.1
93.07051	70.0
94.07411	1.1
95.04975	14.3
95.08626	4.7
97.06540	4.2
98.20765	1.4
98.97585	18.5
103.05466	10.7
105.04502	2.4
105.07053	7.1
106.04189	4.3
107.04977	10.0
107.07893	2.0
107.08601	37.8
109.06532	4.7
109.10167	6.8
110.03680	1.8
111.04433	6.2
111.08101	1.4
116.98619	7.0
117.03388	23.3
117.06994	2.2
119.04964	5.8
119.08582	6.6
120.05715	2.3
121.06514	34.6
121.07394	1.8
121.09351	1.0
121.10159	17.4
123.04421	1.3
123.08057	3.1
125.06001	7.5
127.55126	0.9
130.07787	2.1
131.04872	1.4
134.03613	2.5
134.99643	1.4
135.04425	39.7
135.08049	3.8
135.11697	38.1
135.12738	1.7
136.05162	1.2
137.06001	14.1
139.03920	1.5
139.07544	2.8
140.00206	1.0
145.02864	25.1
145.04013	1.6
145.10127	12.0
148.05176	1.6
149.06000	13.3
151.03886	1.2
151.07547	2.5
153.09097	2.7
163.03918	100.0
163.11189	34.7
163.12567	1.7
164.04297	1.4
166.06232	3.9
175.41148	0.9
181.01375	1.0
181.05038	8.5
181.06427	1.3
181.08635	14.4
181.10094	1.6
181.12234	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.52256	1.1
53.03941	1.1
55.01850	1.8
55.05502	2.1
56.96569	1.1
57.07081	20.9
58.07387	1.0
59.04975	1.7
65.07973	1.1
67.05495	3.1
68.14811	1.1
69.07057	4.5
71.54073	1.1
73.37551	0.9
79.05498	9.9
80.45187	1.0
81.03429	5.2
81.07054	4.3
83.04990	43.8
91.05465	3.9
93.07063	8.8
95.04980	17.4
95.08620	1.7
97.06548	23.9
98.97591	20.3
105.07024	4.4
107.04935	1.3
107.08597	11.6
116.98609	10.2
117.07020	2.1
119.08561	3.9
121.06483	2.7
121.10162	10.8
121.32365	1.1
125.06003	61.3
134.99667	2.7
135.08072	1.2
135.11699	5.9
145.10143	11.0
163.11192	100.0
164.11511	1.3
166.07735	1.6
181.10107	2.7
181.12250	29.8
194.39513	0.9
204.08099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02390	0.7
52.29551	0.7
53.03951	6.2
55.01867	2.4
55.05503	2.9
56.96574	0.8
57.03422	3.3
65.03944	5.2
67.05495	3.5
69.03408	2.0
69.07056	2.5
69.79177	2.9
69.79591	1.7
71.04982	2.3
73.58379	0.7
75.04469	1.4
77.03926	2.4
78.04711	1.3
79.05498	16.1
81.03410	2.2
81.07058	8.3
82.04160	1.0
83.04979	3.4
85.02882	0.8
89.03917	19.5
91.05487	24.9
93.03402	3.0
93.07050	26.3
95.04973	8.4
95.08604	6.7
97.02859	1.0
97.06529	6.6
97.34451	0.7
98.21496	1.1
98.97590	16.7
103.05471	11.0
105.03399	0.8
105.04504	2.6
105.07026	8.4
106.04172	2.5
107.04964	8.8
107.08607	9.3
108.02081	0.8
109.06513	2.1
109.10152	5.7
110.03646	1.3
111.04449	2.6
111.08080	1.5
115.05478	1.0
116.81253	0.8
116.98619	7.3
117.03385	23.8
117.07014	1.9
119.04951	2.4
119.08578	1.9
120.05730	1.3
121.06516	26.7
121.10141	19.2
123.04367	1.1
123.08060	4.7
125.06007	5.3
130.07776	1.7
133.79282	0.8
134.03632	1.9
134.99689	1.2
135.04427	41.2
135.08041	3.1
135.11707	6.0
137.05981	4.5
138.03160	1.0
138.06772	0.9
139.03905	1.1
139.07555	5.1
139.11188	3.0
145.02855	24.2
145.03937	0.9
145.10126	15.5
148.05165	0.9
149.05994	14.0
151.03983	0.9
151.07564	1.5
153.07025	0.9
153.09116	2.7
153.12724	2.2
163.03912	100.0
163.11185	18.9
163.70477	0.8
164.04205	2.1
166.06218	3.4
166.07578	1.1
181.01334	1.1
181.05013	5.9
181.06404	1.7
181.08688	11.1
181.10164	1.1
181.12231	24.9
187.88506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03958	6.0
55.01872	2.9
55.05519	6.6
56.96566	1.1
57.03439	2.4
57.07085	22.5
59.05000	2.0
65.03940	6.4
67.05499	3.9
69.03434	2.4
69.07065	4.6
71.04997	2.3
71.49618	1.3
71.50004	1.1
75.04459	1.0
77.03922	1.9
78.04725	1.8
79.05503	16.1
81.03427	6.1
81.07065	7.0
82.04202	1.0
83.04991	48.0
83.08639	5.7
85.02917	2.5
85.06570	1.0
89.03925	9.9
91.05490	20.1
93.03407	3.5
93.07058	18.4
95.04980	24.1
95.08617	2.6
97.02898	1.2
97.06543	28.7
98.97594	13.5
99.04510	1.0
103.05480	9.4
105.04536	1.4
105.07042	6.8
106.04177	3.4
107.04957	7.6
107.08601	13.7
108.05770	1.4
109.06521	2.3
110.03677	1.7
111.04467	1.2
111.08089	1.4
116.98630	4.6
117.03396	10.2
117.07034	1.9
119.04952	1.6
119.08578	4.4
121.06521	24.8
121.10155	17.9
121.10954	1.6
123.04462	1.8
123.08083	3.1
125.06009	67.2
130.07799	2.6
134.03673	1.6
135.04443	19.1
135.08054	3.6
135.11717	9.3
137.05989	9.2
138.06801	2.1
139.03957	1.8
139.07584	1.2
145.02863	11.1
145.03912	1.5
145.10156	12.3
148.05211	12.4
149.05998	13.2
151.03900	2.1
153.05505	2.5
153.09174	2.1
163.02798	0.7
163.03925	47.0
163.11200	100.0
164.04189	1.0
164.11563	2.2
166.06256	1.4
166.07748	1.0
172.87564	0.9
176.70778	0.9
181.01384	1.4
181.05019	10.0
181.08638	31.8
181.12241	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03949	1.2
55.01867	1.0
55.05512	1.7
56.96568	1.3
57.07081	23.1
59.04990	3.1
63.20232	0.9
67.05510	1.6
67.35625	1.0
69.03424	1.2
69.07097	2.2
69.65103	1.1
71.95232	0.9
79.05495	8.0
81.03416	4.9
81.07061	3.9
81.44639	0.9
83.04507	2.5
83.04992	41.9
84.42686	1.0
91.05473	4.0
93.07043	7.7
95.04977	14.0
95.08611	1.1
97.06542	22.9
98.97594	20.7
105.07040	6.1
107.08605	10.1
109.06518	1.6
116.97292	1.4
116.98628	11.5
117.07018	2.1
119.08584	2.9
121.06532	4.0
121.10155	10.8
125.06005	61.5
130.07788	1.3
134.99686	3.2
135.11707	4.8
140.00215	1.3
145.10130	11.3
151.30429	1.1
156.70551	0.9
163.11198	100.0
166.07779	2.4
181.08669	1.6
181.10161	3.0
181.12253	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.37710	1.1
53.03946	2.4
55.01849	1.3
55.05515	3.1
56.96556	3.2
57.02448	1.1
57.07080	24.0
59.04993	2.7
69.03458	1.6
69.07072	4.2
71.50512	1.5
79.05507	9.6
81.03423	5.3
81.07061	4.2
83.04989	50.7
86.73794	1.4
88.98545	1.3
91.05476	4.1
93.07072	8.6
95.04973	17.5
95.08630	1.5
97.06538	22.5
98.97590	20.3
105.07037	5.6
107.04950	1.6
107.08598	10.1
116.97312	1.7
116.98626	13.4
117.07027	1.8
119.08597	3.5
121.06509	3.7
121.10160	14.5
125.06003	66.6
130.07808	2.3
132.54982	1.2
134.99654	7.3
135.08041	2.3
135.11699	6.6
140.00226	1.4
145.10120	12.8
155.47742	1.3
163.03885	1.9
163.11189	100.0
164.11526	2.3
164.98531	1.2
165.07027	1.7
166.07751	2.8
181.08714	1.3
181.10144	5.3
181.12254	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03945	6.8
55.01870	2.9
55.05517	34.6
56.96579	7.4
57.03421	1.6
57.07080	18.6
59.84146	1.5
60.39080	1.2
65.03938	3.3
67.05518	11.3
69.03429	3.3
69.07056	6.1
69.97948	1.7
71.04997	1.7
71.30714	2.4
71.95273	2.1
75.04508	1.9
78.04713	2.1
79.05494	10.1
81.07066	12.7
83.04988	21.9
85.06534	4.7
89.03922	2.0
91.05486	24.3
93.03403	3.9
93.07043	29.0
93.07571	2.4
95.04970	10.1
95.08623	16.6
97.06535	14.0
98.97589	75.9
103.05475	9.6
105.04530	2.6
105.07061	8.7
105.70403	1.5
106.04166	4.7
107.04935	3.1
107.08598	34.5
109.06541	6.6
109.10168	3.8
111.04452	100.0
111.08076	7.1
113.06012	4.4
116.97294	2.2
116.98632	37.7
117.07018	2.6
119.08584	3.0
121.06512	26.4
121.10142	7.1
122.07330	3.6
123.08090	4.1
125.06007	45.1
127.07581	3.5
130.07774	4.2
134.03674	2.3
134.99637	8.9
135.08072	25.1
135.11717	18.7
137.06009	2.7
138.06815	2.9
139.07542	3.3
140.00223	3.2
145.10144	16.8
148.05219	2.0
149.06000	17.4
151.34669	1.9
153.09117	2.9
153.12715	3.5
158.01257	3.3
163.03857	1.6
163.11194	28.4
166.07796	1.7
169.30209	1.2
181.04915	3.6
181.08690	7.7
181.10123	3.3
181.12234	29.0
181.13719	2.6
181.15816	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.30949	0.7
53.03943	1.0
55.05499	2.1
56.96563	1.2
57.07062	2.0
59.05015	4.1
61.29912	0.7
67.05494	3.1
69.03416	1.1
69.07061	3.0
69.45222	5.1
79.05494	6.5
81.07067	7.8
82.27068	0.7
83.04979	1.9
83.08632	1.4
91.05470	3.6
92.85229	0.6
93.07050	18.7
95.04955	2.1
95.08064	1.1
95.08618	13.8
97.06524	2.7
98.97587	13.6
105.07030	3.3
107.04950	1.4
107.08601	31.0
109.10169	2.4
111.04435	2.3
111.08091	1.2
116.98608	4.6
117.03412	0.8
117.07065	0.8
119.08566	5.2
121.06514	5.1
121.10150	18.5
123.08070	3.1
125.05991	5.6
134.99655	1.2
135.04399	1.3
135.08107	1.0
135.11699	40.2
137.09689	0.8
137.13208	1.0
139.07574	7.3
140.00162	0.9
145.02858	1.1
145.10130	10.8
151.02896	0.7
153.12718	1.9
163.03906	3.6
163.11189	30.2
166.07755	1.6
179.53989	0.7
181.12244	100.0
182.12589	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	80638-48-8
Peak:m/z	Relative Intensity
51.02378	1.3
53.03946	6.5
55.01862	2.7
55.05505	2.1
56.49900	0.5
56.96574	0.9
57.07062	0.9
58.91253	0.6
60.55658	0.7
60.82775	0.6
65.03944	4.2
67.05499	5.8
69.03414	0.9
69.07052	1.2
75.04469	0.9
77.03934	2.2
79.05495	12.1
80.06272	2.3
81.03403	1.5
81.07049	4.6
83.04977	2.2
83.08627	1.5
85.02909	1.3
89.03918	7.9
91.05485	52.7
92.05750	0.9
92.06272	10.2
93.03394	2.7
93.07045	31.7
94.04179	0.9
95.04966	11.1
95.08624	4.9
97.02889	2.0
97.06534	2.0
98.97590	15.1
103.05466	14.1
105.03415	3.4
105.04523	3.1
105.07032	4.6
106.04179	2.4
107.04956	14.2
107.08589	5.9
108.05747	7.8
109.06523	2.5
109.10133	1.2
110.03654	0.9
110.07268	0.8
111.04472	1.2
111.08069	1.5
115.05450	1.3
116.98633	6.9
117.03399	9.2
117.07001	0.8
119.04958	7.8
119.08596	1.5
120.05734	15.2
121.06510	52.7
121.10139	8.2
122.03656	1.7
123.04428	4.5
123.08067	4.1
125.05222	0.7
125.05976	4.3
131.04948	1.9
131.05978	0.7
134.03685	1.3
134.99641	1.9
135.04420	17.9
135.05446	1.1
135.08073	3.9
135.11734	4.2
136.05208	12.1
137.05981	23.0
138.06784	13.2
139.03903	0.8
139.07507	1.0
145.02840	12.1
145.03856	0.6
145.10152	3.6
148.05214	5.1
149.04808	1.1
149.05995	19.1
151.03911	2.7
151.07544	12.1
153.05467	1.9
153.06941	1.1
153.09116	2.0
163.03914	44.9
163.07549	2.8
163.11192	8.2
165.05492	3.3
165.60568	0.6
166.06270	19.9
166.07693	1.0
166.43394	0.6
181.01360	1.8
181.05203	5.4
181.08603	100.0
182.08987	1.2
198.08168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
53.71149	0.8
55.01852	1.6
55.05502	3.6
56.96553	2.9
57.07077	21.1
59.04984	2.4
67.05498	1.2
67.53643	1.0
69.03394	1.4
69.07045	3.0
79.05497	8.7
79.16523	1.0
81.03431	5.8
81.07036	4.2
81.34403	0.9
82.08436	1.0
82.49947	1.1
83.04984	48.9
84.66811	1.1
91.05466	4.1
93.07063	7.8
95.04391	1.1
95.04974	15.3
95.08574	1.3
97.06532	22.2
98.97584	24.4
101.16538	1.0
103.06644	1.0
105.07049	5.8
107.04932	2.4
107.08590	12.3
109.06506	1.6
116.97202	1.0
116.98630	11.2
117.00082	1.0
117.07066	1.2
119.08573	3.9
121.06510	3.2
121.10140	11.5
125.05997	64.9
130.07790	2.3
130.40672	0.9
134.99629	4.1
135.08057	2.1
135.11652	4.8
140.00174	1.3
145.10132	10.1
163.11182	100.0
164.11488	1.9
165.07011	1.5
166.07768	2.1
172.93320	1.0
181.10165	5.6
181.12225	28.9
198.69887	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	80638-48-8
Peak:m/z	Relative Intensity
51.54946	1.0
53.03949	9.7
54.44692	1.0
55.01881	6.8
55.05495	3.2
56.96550	1.5
57.07054	1.1
65.03944	6.0
66.04748	1.1
67.05519	7.9
67.05820	1.7
69.03426	1.9
69.07053	2.0
70.93947	2.5
71.04981	1.0
77.03905	2.9
79.05499	15.7
80.06250	2.3
81.03423	1.5
81.07040	5.2
82.04144	1.7
83.04975	3.5
83.08611	1.4
85.02914	3.1
89.03925	10.6
91.05488	54.6
92.06286	7.9
93.03404	4.1
93.06495	2.0
93.07053	35.4
94.04179	1.1
95.04977	13.8
95.08607	5.4
97.06520	3.2
98.61358	1.0
98.97591	21.6
100.68213	0.9
103.05479	25.0
105.03389	2.4
105.04539	6.0
105.07026	5.2
106.04160	1.7
107.04960	17.1
107.08603	7.1
108.05762	4.9
109.06522	2.5
110.03649	2.7
111.04449	2.1
111.08128	1.9
113.77369	1.0
116.98647	8.0
117.03398	14.0
119.04948	7.2
119.08607	2.1
120.05736	11.6
121.06517	87.2
121.10159	7.8
122.03617	1.6
123.04438	5.9
123.08080	4.0
125.06016	5.4
125.09665	1.1
131.04941	3.7
134.99658	3.9
135.04433	22.8
135.08072	8.4
135.11694	3.8
136.05222	12.1
137.06001	18.9
138.03134	1.4
138.06802	9.5
139.03931	2.2
145.02850	12.8
145.10103	2.8
145.46443	1.1
148.05226	6.4
149.06000	66.9
151.03905	5.0
151.07578	11.8
153.05492	11.3
153.09056	1.8
163.03917	59.8
163.07555	4.4
163.11200	8.3
165.05495	3.8
166.06294	20.0
166.07697	1.5
181.05139	9.0
181.08611	100.0
181.12202	4.5
182.19035	1.6
183.74049	1.0
196.61986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	80638-48-8
Peak:m/z	Relative Intensity
52.38078	0.6
53.03940	1.9
55.01864	2.6
55.05506	0.7
65.03928	1.8
66.04695	0.6
67.05492	2.1
67.86662	0.6
69.03419	1.6
69.07067	0.8
70.75481	1.1
77.03926	1.0
78.04696	2.6
79.05501	4.5
81.03403	2.2
81.07051	1.5
83.04990	1.2
89.03922	8.6
90.04700	1.5
91.05484	12.0
92.06277	0.9
93.03389	1.8
93.07043	6.5
95.04956	5.0
95.08598	1.8
97.02901	0.8
97.06515	1.5
98.97598	4.4
99.64296	0.6
103.05460	3.4
105.03409	0.9
105.04528	0.9
105.07064	1.3
106.04172	2.0
107.04967	7.3
107.08564	2.6
108.05758	1.1
109.06536	2.0
109.10189	0.8
110.03660	0.7
111.04408	0.7
111.80571	0.7
116.98624	1.0
117.03379	10.9
117.06975	0.6
118.04164	0.7
119.04934	1.6
120.05758	1.3
121.06519	7.1
121.10173	3.8
122.03642	1.4
123.04440	5.9
123.08064	2.0
130.88295	0.7
135.04419	19.4
135.08060	1.3
136.05226	3.0
137.05989	15.8
137.09622	1.0
138.06790	6.2
139.07486	0.9
139.11156	2.1
145.02853	11.2
145.03885	1.2
145.10155	0.9
148.05202	43.4
149.05988	4.1
151.03908	5.6
163.03918	48.8
163.11252	2.8
165.05499	0.8
166.06215	1.8
181.05118	2.4
181.08606	100.0
182.08937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.44146	0.3
53.03936	0.8
63.02370	0.6
65.03941	0.7
67.57688	0.4
69.18833	1.9
69.19266	1.7
74.26440	0.3
77.03910	0.3
79.05495	3.5
89.03924	19.5
91.05497	2.0
93.03392	0.5
95.04956	0.9
98.97596	4.8
107.04959	6.0
111.04479	0.9
116.98657	1.4
117.03391	23.6
119.04935	1.1
121.06493	0.5
128.23299	0.4
134.99695	0.5
135.04425	39.4
136.04668	0.4
137.05977	1.5
139.03903	1.2
145.02859	25.9
145.03857	0.9
163.03912	100.0
164.04243	1.5
181.05013	1.3
183.83936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01852	0.3
57.03439	0.2
65.03935	0.4
68.99774	0.3
69.03429	0.5
69.95815	0.9
72.44655	0.2
77.03921	0.3
79.05492	0.8
85.02914	0.5
89.03931	2.2
91.05482	1.7
93.03408	0.3
93.07053	2.8
94.06540	0.2
95.04963	0.5
95.08627	0.2
97.02916	0.3
97.06513	0.3
97.37456	0.2
98.97604	1.0
103.05475	8.3
106.07407	0.2
107.04961	1.0
111.04475	0.4
116.98640	0.7
117.03398	2.4
119.04944	0.5
120.08109	100.0
121.05681	0.4
121.06512	5.0
121.08447	1.7
131.04915	0.9
134.03221	0.2
135.04419	4.4
135.08038	0.6
137.05991	0.8
139.03882	0.3
145.02856	2.6
145.03911	0.4
148.04788	0.4
152.04237	0.3
153.05499	0.6
163.03911	10.8
163.07553	0.6
180.03729	2.9
180.06602	0.2
180.10167	2.1
180.13805	0.4
181.04979	0.8
181.08513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	m-Hydroxyphenylpyruvic acid
Peak:m/z	Relative Intensity
51.02373	0.8
53.03952	3.7
55.01870	2.1
55.05500	1.0
55.59469	0.4
56.96555	0.4
57.03439	0.4
63.02373	0.6
65.03941	3.5
67.05490	1.6
69.03423	0.7
69.07066	0.8
71.05002	0.4
71.95253	0.5
72.43347	0.3
72.85294	0.5
75.04470	2.3
77.03931	1.4
78.04713	1.4
79.05502	6.0
81.03412	0.7
81.07044	1.3
82.08441	0.4
83.04977	1.1
85.02884	0.7
89.03921	18.7
89.06030	0.4
91.05486	17.4
93.03400	4.0
93.07046	13.2
95.04971	8.9
95.08591	0.6
97.06518	1.6
98.97583	8.4
103.05469	8.8
105.03394	0.7
105.04511	2.0
105.07030	1.2
106.04178	5.5
107.04964	7.5
107.08607	3.8
108.05715	0.7
109.06512	0.8
109.10139	0.9
110.03630	0.5
111.04448	1.1
115.05404	0.4
116.98631	2.6
117.03384	25.2
117.07037	0.4
117.96845	0.4
119.04952	1.5
119.08524	0.9
121.06507	26.3
121.10155	3.0
123.04398	0.9
123.08055	1.3
124.05189	0.6
125.06010	1.8
131.05983	0.7
134.03625	2.6
134.99709	0.8
135.04419	39.6
135.11725	3.3
136.04892	0.5
137.05983	2.7
138.06781	1.3
139.03815	0.5
139.07523	0.9
140.00174	0.5
142.02632	0.5
142.59242	0.4
145.02850	26.0
145.03844	1.0
145.10121	1.8
148.05194	1.4
149.05988	17.5
151.03853	0.6
151.07639	0.5
152.08311	0.5
153.09103	3.5
163.03905	100.0
163.07506	2.0
163.11174	5.9
164.04243	1.5
165.07019	0.5
166.06285	1.2
181.05028	3.2
181.06422	0.5
181.06741	0.5
181.08597	8.7
181.10072	0.3
181.12183	3.2
181.15829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.10983	2.0
51.25945	2.2
55.01866	7.5
55.05519	24.5
57.03450	17.3
59.05009	2.1
65.03931	4.8
66.51971	1.9
67.05508	12.4
69.03421	6.2
69.07076	11.6
70.64914	6.7
71.04978	3.1
77.03904	2.1
79.05501	21.1
81.07064	40.0
83.04971	8.5
83.08624	5.2
85.06541	7.0
88.48374	2.0
88.91624	2.0
89.03899	2.0
91.05489	59.1
93.07050	47.4
95.04984	5.3
95.08619	40.8
97.06530	4.1
105.03355	3.1
105.06413	2.7
105.07056	30.2
107.04928	2.5
107.08602	48.0
108.05730	2.5
109.06527	55.8
109.10152	13.7
110.13686	2.2
117.07024	5.4
119.04955	87.4
119.07772	1.8
119.08589	40.2
121.06509	2.6
121.10155	54.1
123.04454	4.0
123.08068	29.6
125.09663	19.7
128.47830	2.0
133.02861	2.2
133.06529	5.6
133.10135	32.2
135.11716	21.1
136.05202	3.2
137.05988	25.9
137.09645	3.3
137.13257	9.1
146.03600	2.7
146.10941	2.8
147.04424	100.0
147.08061	3.9
148.04720	2.3
151.03889	5.2
151.07538	17.4
161.06003	6.1
161.13268	66.2
164.04607	2.9
179.03476	10.7
179.07117	45.0
179.09566	5.6
179.10963	3.2
179.14320	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.69991	1.0
53.03939	2.5
55.01876	9.6
55.05519	8.2
56.96548	1.4
57.03439	7.1
57.07070	1.3
65.03948	1.8
67.05507	38.5
69.03425	3.9
69.07072	10.7
71.04980	3.7
74.76158	1.0
77.42840	1.0
79.05497	27.4
81.07061	97.1
82.79067	0.9
83.04971	7.8
83.08617	4.6
83.63563	0.9
84.97505	1.0
85.06553	8.7
90.12915	0.9
91.05486	39.9
93.07050	40.5
93.07648	1.9
95.04971	4.8
95.08614	74.6
96.08928	1.4
96.35458	1.3
97.06529	17.0
99.08099	10.0
105.07040	43.3
107.04958	1.2
107.08600	19.8
109.06528	5.8
109.10165	8.8
111.08065	6.6
113.09670	1.8
115.05509	1.3
117.07030	3.3
119.04964	11.7
119.08588	53.8
121.10148	15.2
123.04467	2.6
123.08077	11.9
123.11759	1.3
131.08496	1.5
133.02863	1.5
133.06448	5.1
133.10139	34.8
135.11694	34.0
136.05223	2.4
137.05980	1.8
137.09671	5.2
137.13239	2.5
146.03612	2.5
147.04428	20.0
151.03905	1.6
151.07663	1.1
151.11200	1.8
161.06033	7.5
161.13271	85.3
162.13643	1.3
179.03438	6.1
179.07149	8.6
179.08476	1.8
179.10783	2.9
179.14320	100.0
180.14722	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
51.97044	0.7
53.03960	0.9
55.01877	37.5
55.26754	0.7
57.03426	0.9
65.03945	2.9
67.05502	2.6
70.39665	2.8
70.98105	1.3
79.05488	5.6
80.06250	1.3
81.07056	4.2
91.05486	55.5
94.04157	1.0
95.04964	3.7
95.08603	3.3
97.21785	0.7
103.05480	5.5
105.04595	1.0
105.07039	21.6
107.04981	2.5
107.08586	1.3
109.06556	1.1
109.10182	2.5
115.05470	5.4
118.04168	8.9
119.04950	69.2
119.08626	2.0
120.05328	1.0
123.04443	3.7
123.08108	1.5
123.11703	1.6
131.04938	1.4
133.06499	22.0
133.07480	1.5
133.10147	1.9
135.04442	2.4
136.05217	11.5
137.05980	7.2
143.06079	1.4
146.03629	15.7
147.04417	100.0
148.04819	1.0
151.03909	1.0
151.07588	2.6
161.05986	50.5
161.13304	1.2
163.03915	3.5
164.04706	3.8
179.03464	2.0
179.07063	43.8
179.10687	1.9
179.14287	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
55.01877	31.3
57.03423	1.2
63.82098	0.9
65.03927	3.7
67.05493	2.2
68.87253	0.7
71.22769	1.9
77.03928	0.9
79.05503	5.8
81.07057	1.4
91.05488	50.1
93.07040	1.5
95.04980	7.1
95.08613	1.2
103.05480	5.2
105.07041	20.4
106.72924	1.0
107.04976	2.4
107.08595	2.1
108.05752	2.2
109.02904	1.6
109.06570	2.2
110.03681	1.1
115.05465	3.2
118.04171	5.8
119.04948	65.0
119.08569	1.5
121.02870	1.0
121.06504	1.7
121.10164	1.1
122.03671	1.1
123.04436	23.1
123.08089	3.4
131.04970	1.4
133.02835	1.0
133.06497	22.5
133.10150	1.4
135.04352	1.2
136.05214	9.1
137.05969	4.5
143.38539	0.9
146.03636	13.1
147.04422	100.0
149.05956	1.1
150.96422	0.9
151.03963	1.9
151.07565	10.4
161.05991	48.2
164.04695	4.1
179.03593	4.1
179.07053	51.1
179.14366	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
55.01877	31.8
65.03931	2.7
67.05493	3.6
70.51962	2.2
70.52358	1.9
79.05488	4.4
80.06254	1.4
81.07056	1.6
83.98116	0.9
89.27895	1.0
91.05488	47.3
93.07047	2.4
95.04455	0.8
95.04966	6.1
95.08585	2.8
103.05485	5.2
105.07038	22.7
107.04942	3.4
107.08626	2.3
108.05738	1.5
109.06516	1.1
110.03712	1.7
115.05464	4.4
118.04181	6.7
118.76832	0.9
119.04952	63.4
123.04430	22.2
123.08115	2.6
131.04916	2.3
133.06499	22.7
133.10110	2.3
135.04405	3.0
135.11653	1.2
136.05205	10.9
137.05986	6.5
143.05974	1.1
146.03636	13.6
147.04422	100.0
151.03912	1.6
151.07549	11.1
161.05994	51.5
164.04706	2.9
179.03473	3.6
179.07053	49.1
179.14349	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	179.0705
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
55.01880	32.1
58.55575	0.9
65.03944	4.2
67.05506	1.7
69.72478	5.4
79.05495	3.3
80.06243	1.0
81.07051	2.7
90.04719	1.1
91.05492	53.6
92.05801	0.9
93.07030	1.3
94.04208	0.9
95.04968	3.8
95.08607	1.7
95.36019	0.9
103.05473	6.6
105.07042	21.9
107.04936	2.8
107.08646	1.1
108.05704	1.4
109.10132	1.8
115.05479	5.5
118.04183	5.5
119.04957	64.5
119.08596	1.3
120.05293	1.2
122.03670	1.1
123.04440	4.3
123.08058	0.9
131.04976	1.4
133.06523	21.4
133.10080	1.8
135.04442	3.1
136.05209	11.6
137.06017	4.2
146.03648	15.9
147.04430	100.0
148.04762	1.3
151.03902	1.4
151.07532	2.7
161.06006	50.7
161.13240	1.7
162.06210	0.9
163.03979	1.5
164.04692	2.8
177.82959	1.1
179.03468	1.8
179.07057	40.9
179.10541	1.9
179.14333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03939	2.8
55.01877	21.2
55.05509	2.3
57.03447	1.7
65.03941	4.0
67.05499	8.8
68.99796	2.2
69.03426	1.8
69.07078	2.3
71.49174	1.7
75.96482	1.2
78.04707	1.3
79.05503	10.1
81.03423	1.8
81.07053	8.7
83.04999	1.8
84.42158	1.1
85.02918	1.3
85.06535	1.6
89.03934	3.8
91.05487	54.7
93.03378	1.6
93.07067	7.3
95.04975	13.9
95.08601	10.5
103.05461	6.0
105.03403	3.5
105.07041	28.0
105.07710	2.1
107.04972	3.5
107.08598	6.6
108.05737	3.2
109.02884	1.5
109.06532	5.4
109.09396	1.2
109.10159	5.0
110.03680	1.8
115.05479	2.9
117.03382	1.0
118.04180	4.1
119.04947	74.8
119.08588	10.4
121.02881	2.7
121.06509	2.2
121.10144	6.7
121.70035	1.0
122.03703	1.7
122.10516	1.6
123.04440	41.2
123.08064	9.6
123.10861	1.4
123.11720	1.3
133.02837	5.6
133.06488	16.6
133.10133	10.6
135.04434	2.3
135.11717	2.7
136.05205	9.6
137.05983	19.1
137.09639	3.0
141.54892	1.2
146.03654	8.9
147.04419	100.0
148.04892	2.2
149.02359	1.4
151.03940	5.1
151.06470	1.5
151.07558	20.9
151.11206	2.6
161.05980	23.0
161.07076	1.3
161.09641	3.7
161.13245	5.2
163.81001	1.0
164.04741	7.0
179.03442	18.7
179.07079	66.2
179.08501	2.7
179.10583	7.4
179.14281	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	178.1228
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
55.01888	0.4
58.76837	0.3
59.93114	1.0
67.05514	0.4
70.48280	0.3
71.28269	0.7
71.92216	0.3
77.94141	0.8
79.05503	0.5
80.05020	0.5
87.69609	0.4
88.02237	0.8
90.04242	0.4
91.05493	1.5
93.05804	0.5
93.07074	0.6
95.04962	0.4
98.98464	0.6
103.02472	0.4
105.03399	0.8
105.07032	0.7
107.08645	0.4
115.05470	0.7
117.03375	0.4
117.07036	1.4
118.03719	1.0
118.06555	9.6
118.07377	0.6
118.96781	4.8
119.04981	0.6
119.07342	8.6
123.04436	0.6
132.08105	1.4
133.02864	2.1
133.99132	0.8
134.09663	59.0
135.10004	0.8
136.95421	0.6
146.03313	1.3
147.04391	0.6
150.06334	0.6
151.03952	0.6
154.94170	0.4
154.96474	1.8
159.96970	0.5
160.11186	0.8
162.09155	2.3
163.03476	0.5
163.09929	0.8
177.98088	1.3
178.12283	100.0
179.03383	1.8
179.10646	0.3
179.12584	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
56.96551	0.6
57.07059	0.5
58.99864	0.6
61.31726	0.3
71.48091	0.3
72.76426	0.3
81.07051	0.5
82.01453	0.7
82.99854	3.1
91.05495	1.0
95.04969	0.5
98.97566	1.0
100.02502	1.8
100.97201	0.6
100.98000	0.4
101.00887	38.6
101.95042	0.4
102.00993	1.2
105.07017	1.0
111.00404	0.6
114.78118	0.4
115.00564	0.5
115.02427	1.9
115.05498	0.4
116.98646	0.5
118.03529	0.6
119.01926	100.0
119.04866	2.0
120.01997	3.2
124.02424	0.4
131.05576	0.3
133.01686	1.4
133.03487	7.0
133.06468	0.7
133.10141	0.6
137.02960	21.2
138.03033	0.5
142.03493	1.1
143.01915	0.8
146.03641	0.7
147.04375	2.5
151.02710	0.4
151.04561	1.9
156.02055	0.7
156.05054	5.1
156.97507	1.2
157.03513	0.6
160.04630	0.4
161.02965	24.1
161.05826	0.7
162.03174	0.7
166.82344	0.3
174.03156	0.4
174.06213	1.0
174.98515	0.9
179.04028	27.2
179.06551	1.2
179.10715	0.8
179.99106	1.3
180.04166	0.4
182.35582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40008	1.1
53.03940	1.8
55.01852	1.7
55.05516	12.2
57.07071	2.0
65.03932	1.9
67.05495	4.7
69.07072	32.1
78.04707	1.7
79.05497	15.5
81.07054	13.8
83.08619	17.4
89.03907	3.0
91.05487	13.6
93.06494	2.0
93.07054	36.7
95.04958	2.0
95.08611	36.7
97.10200	3.9
98.98470	16.6
103.05465	3.1
105.07030	11.1
106.04176	4.6
106.07825	1.1
107.04957	1.2
107.08598	87.8
109.06535	1.8
109.10167	12.6
117.03377	4.0
119.08582	3.1
121.06513	2.6
121.10151	100.0
131.08591	1.9
133.10094	2.7
135.08104	1.7
135.11702	18.4
145.02884	3.9
149.02277	1.3
149.05994	4.5
149.13263	7.3
159.11754	1.6
177.05447	6.5
177.09103	3.8
177.12872	5.8
177.16408	64.2
178.16696	1.6
184.08759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03936	5.7
54.93042	1.3
55.01864	2.7
55.05512	11.6
56.06446	1.3
57.07064	1.6
63.02376	2.1
65.03933	2.4
67.05505	7.1
69.07076	29.7
69.87595	1.4
71.16494	3.2
77.03912	1.3
78.04721	13.0
79.05157	1.3
79.05510	15.9
81.03389	2.1
81.07057	13.6
83.08620	16.4
89.03928	44.4
91.05491	31.9
93.07055	36.3
95.04988	4.7
95.08617	35.8
97.10152	2.1
98.98482	7.1
103.05495	6.5
105.04547	1.8
105.07053	11.4
106.04192	49.9
107.04993	1.8
107.08606	100.0
109.10177	9.5
115.05499	1.9
117.03393	76.2
117.07024	3.9
119.04931	1.5
119.08571	5.0
121.06535	18.1
121.10158	93.5
131.04950	3.8
131.08574	3.2
133.10193	2.3
134.03650	14.5
135.04425	2.9
135.08112	2.0
135.11693	21.3
145.02863	77.4
146.03259	2.3
147.11803	1.4
149.02388	1.8
149.06003	42.5
149.09578	1.9
149.13351	6.2
159.08073	1.8
159.11740	3.9
162.03128	5.5
162.06763	1.9
163.03876	2.8
167.57564	1.3
177.05504	38.7
177.09125	19.0
177.12845	10.3
177.16406	57.4
186.05618	1.4
186.30948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03947	1.9
55.05513	21.3
55.56908	1.4
56.03874	1.4
57.07068	2.0
57.57482	1.5
60.18455	1.6
64.67558	1.6
66.09126	1.7
67.05531	9.5
69.07069	29.2
69.45911	7.9
69.46342	4.0
79.05077	2.6
79.05500	31.1
81.06599	3.1
81.07060	54.5
83.08624	15.3
91.05494	11.0
93.06487	3.0
93.07049	49.0
93.07638	2.4
95.08611	63.0
97.10160	6.0
98.20697	1.6
98.98446	5.6
105.07034	6.2
107.08597	97.8
109.10156	17.2
113.43245	1.9
119.08601	2.7
121.10149	100.0
127.18594	1.7
128.18477	1.4
135.11699	19.4
149.13248	6.3
177.12936	3.2
177.16394	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.01834	1.0
53.03931	1.6
55.01883	0.9
55.05517	11.9
57.07076	1.8
57.08221	0.8
67.05509	6.2
69.07072	33.6
69.17078	0.8
69.90693	2.6
79.05498	14.8
81.07058	14.7
83.08618	19.7
89.03912	1.5
91.05483	13.3
93.07047	33.8
94.07378	1.3
95.04939	1.1
95.08611	39.2
97.10157	2.6
98.98469	3.3
103.05433	1.1
105.07033	12.9
106.04171	1.2
107.08599	98.2
108.08892	1.0
109.06516	1.9
109.10153	13.6
117.03381	2.6
117.06997	1.5
119.06042	1.1
119.08592	5.2
121.06529	1.7
121.10151	100.0
121.35562	0.9
131.08595	2.1
133.10121	3.3
135.08047	1.8
135.11702	22.5
144.09322	1.0
145.02863	3.8
149.05965	2.1
149.13269	8.1
159.11678	3.7
177.05461	2.4
177.09106	3.8
177.12814	8.0
177.16402	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03944	2.2
55.01852	0.8
55.05515	12.5
57.07053	1.8
59.05013	0.8
67.05502	6.8
69.03430	0.9
69.07072	32.0
69.64085	1.0
75.02750	0.8
79.05496	14.1
81.07066	10.3
83.08620	15.5
88.02217	0.7
89.03910	4.0
91.05477	11.7
93.07047	35.2
95.04984	0.8
95.08611	35.9
97.10149	2.8
98.20749	2.1
98.98474	9.2
103.05460	1.1
105.07033	14.6
106.04212	1.2
106.07843	0.9
107.08595	90.0
108.08931	1.2
109.06503	1.1
109.10156	13.1
117.03393	7.4
117.07030	1.5
119.08587	6.5
121.10145	100.0
123.08094	1.1
129.07022	2.0
131.08568	4.7
133.10126	3.6
134.03616	1.1
135.08090	1.9
135.10718	1.5
135.11702	22.1
144.09375	2.0
145.02855	10.8
149.02400	1.2
149.05989	3.0
149.13275	6.6
159.08090	1.1
159.11667	7.1
161.09535	1.1
171.77492	0.8
177.05458	4.8
177.09109	9.1
177.12785	16.7
177.16393	50.8
178.16606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03937	3.5
55.05516	11.3
57.07066	1.3
64.86537	0.9
67.05502	8.7
69.07070	35.7
69.26237	10.3
70.88454	0.9
78.04708	2.4
79.05497	13.5
81.07051	12.4
81.23309	1.0
83.08617	16.9
89.03413	1.6
89.03921	16.9
89.09541	1.0
91.05477	12.1
93.07041	34.8
94.90114	1.3
95.04950	1.2
95.08607	39.3
97.10148	3.0
98.98477	16.0
100.28100	1.1
103.05433	1.9
105.07029	10.4
106.04188	4.2
107.08596	95.6
109.06517	1.4
109.10162	12.5
117.03379	22.6
119.08595	5.0
121.06525	2.2
121.10146	100.0
131.08559	2.3
133.06422	1.5
133.10179	1.8
134.03627	4.5
135.04402	2.0
135.08064	2.8
135.10709	2.0
135.11694	22.9
135.12717	1.4
145.02849	31.5
149.02354	2.1
149.06001	9.3
149.13248	5.6
159.08051	1.2
159.11633	1.6
162.03156	1.4
163.03880	1.8
177.05473	14.2
177.09145	3.9
177.12885	8.7
177.16391	62.0
178.16782	1.4
186.05516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
54.33310	1.2
55.01853	1.8
55.05515	11.9
57.07080	1.5
62.83228	1.2
65.03928	4.5
67.05510	6.6
69.07078	38.3
71.50008	2.1
77.03947	1.7
78.04719	13.6
79.05493	18.4
80.21729	1.3
81.07075	13.3
83.08631	17.4
89.03925	51.5
91.05484	36.4
93.07053	41.0
95.04965	5.9
95.08616	39.7
97.10145	2.7
98.98458	8.5
103.05460	8.7
105.03394	3.0
105.04529	1.6
105.07037	14.6
106.04183	53.3
107.05003	2.2
107.08601	93.1
109.10153	13.2
117.03391	80.6
117.07034	4.6
118.03703	1.4
119.04971	2.3
119.08578	6.3
121.06519	19.2
121.10154	100.0
131.04904	2.9
131.08572	3.7
133.10167	2.9
134.03645	18.1
135.04414	4.3
135.08018	2.1
135.11705	22.6
137.09436	1.3
143.70695	1.2
145.02863	89.6
145.06529	2.1
146.03223	1.7
149.04807	2.2
149.05992	45.8
149.13293	7.5
149.65564	1.5
159.11755	6.5
162.03157	5.0
162.06754	2.2
163.03819	2.5
175.07536	1.2
177.05492	43.1
177.09122	20.8
177.12807	12.9
177.16406	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.00310	1.5
53.03930	5.9
55.01865	4.5
55.05277	1.9
55.05516	23.0
57.03426	6.2
57.07065	4.4
65.03941	3.8
67.05509	15.2
69.03437	7.7
69.07076	30.2
69.50442	12.7
71.04998	5.5
73.67145	1.5
77.03905	1.8
78.04706	4.7
79.05499	50.2
81.07059	33.9
83.04977	4.7
83.08632	9.2
89.03355	2.4
89.03920	50.4
91.05487	47.8
93.07053	87.8
95.04993	8.7
95.08617	23.9
97.06542	1.6
98.20780	3.6
98.98478	30.6
103.05502	7.5
105.07041	35.4
106.04175	13.1
107.04967	14.7
107.08603	74.3
109.06535	10.3
109.10139	6.8
115.05441	3.8
117.03388	82.5
117.06251	2.0
117.07028	26.8
119.08594	18.6
121.06505	27.0
121.10157	46.9
121.55145	1.7
122.07259	2.1
129.06999	7.9
130.07787	6.3
131.04924	4.2
131.08575	31.8
133.06514	2.3
133.10132	11.4
134.03639	11.3
134.04611	1.9
135.04422	5.5
135.08064	15.4
135.11708	15.9
136.44057	1.3
144.09338	8.2
145.02859	100.0
145.06512	2.1
146.03238	1.9
149.02347	2.9
149.06000	33.0
149.09627	4.6
149.13264	13.7
157.10190	2.3
159.11711	35.8
162.03065	7.4
163.03894	3.6
177.05495	46.2
177.09120	12.9
177.12762	66.5
177.16354	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	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03939	1.1
53.46760	0.4
54.23667	0.4
55.01870	0.4
59.13411	0.4
62.79543	0.4
62.98282	0.4
62.99763	0.4
65.03941	0.5
69.07042	0.5
70.27641	0.4
70.61244	0.5
72.66988	0.5
77.03923	0.4
78.04709	2.6
79.05463	0.6
81.07042	0.7
89.03921	5.4
91.05486	6.8
93.07034	2.2
95.04926	0.5
95.08614	1.0
95.65646	0.4
97.50685	0.4
98.98489	1.1
103.05459	1.1
105.07030	0.7
106.04182	9.3
107.08591	1.8
115.05464	3.4
116.06260	3.5
117.03389	10.2
117.06246	0.8
117.07030	9.9
117.07872	0.7
119.04949	1.6
121.06500	5.0
121.10150	2.2
133.06467	3.1
134.03638	1.8
134.07312	2.8
135.04416	0.5
135.08063	1.5
135.11691	0.5
144.05719	2.0
145.02858	11.7
145.06509	2.1
147.04382	0.8
149.05995	7.3
149.09683	1.0
159.08026	0.5
161.05978	1.3
162.03102	0.5
162.05513	0.8
162.06775	12.5
177.05759	4.1
177.09122	100.0
177.16356	1.4
178.09453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0549
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02386	1.0
53.03951	7.1
55.01871	2.9
55.05504	2.1
60.29784	1.1
65.03945	5.5
67.05498	1.5
69.07089	6.4
69.93102	5.5
70.01959	1.2
73.57515	1.5
77.03931	2.7
78.04715	21.7
79.05500	7.0
81.03417	1.3
81.07053	4.6
83.08607	3.2
85.61601	1.2
89.03926	55.7
91.05489	43.2
93.07050	14.5
95.04978	7.5
95.08640	8.8
95.09228	1.7
98.21487	1.7
98.98473	7.8
103.05486	14.2
105.03413	4.0
105.04533	3.0
105.07034	4.8
106.04185	97.6
107.04376	1.3
107.05016	2.3
107.08622	17.1
109.10146	3.0
115.05492	1.9
117.03395	84.3
117.07037	4.6
119.04950	4.3
119.08606	2.3
121.06515	36.4
121.10147	18.7
129.04495	1.1
131.04956	5.6
131.08594	3.4
133.10143	1.5
134.03636	15.9
135.04436	5.7
135.11703	4.9
139.77347	1.1
145.02863	100.0
146.03218	1.5
147.04414	2.1
148.05240	1.8
149.06000	65.0
149.13283	2.9
159.04442	1.7
159.11768	2.8
162.03123	5.4
162.06836	3.3
163.03928	3.7
173.29774	1.3
177.05496	47.0
177.09123	28.4
177.12787	6.0
177.16428	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	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.05513	0.9
63.02376	1.7
65.03955	0.9
67.05495	0.7
69.07075	3.2
69.15255	0.7
69.66869	4.1
78.04720	4.6
79.05499	2.1
81.07047	1.6
83.08624	1.3
89.03925	49.8
90.04259	1.1
91.04977	1.0
91.05488	9.1
93.07040	4.5
95.08614	3.8
98.98486	2.2
99.75246	0.6
103.05476	3.8
105.03423	1.5
105.07045	1.7
106.04179	15.6
107.04933	0.6
107.08595	7.6
107.59128	0.8
109.06512	0.7
109.10160	1.1
117.03387	86.1
117.06995	1.3
118.03716	1.4
119.04948	0.9
121.06506	4.5
121.10140	8.0
131.04912	1.0
134.03636	12.4
135.04428	4.3
135.11688	2.3
145.02856	100.0
146.03206	1.1
149.04797	1.4
149.05997	28.6
156.23892	0.7
159.04347	0.7
162.03137	2.7
162.06841	1.0
163.03912	2.8
177.05482	28.5
177.09119	8.2
177.12750	1.8
177.16422	4.7
178.05807	0.8
186.05562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03946	1.8
55.15152	0.6
56.02686	0.6
62.91165	0.6
63.02380	1.3
65.03938	1.6
69.07072	1.5
69.37412	4.5
69.37807	1.5
69.53288	0.7
70.62239	0.6
77.03938	1.2
78.04726	6.3
79.05495	1.5
81.07067	1.4
83.08633	1.6
89.03926	47.3
90.04298	0.9
91.05493	9.5
93.07030	4.1
95.04964	2.0
95.08598	2.7
98.20769	1.2
98.98483	2.9
103.05463	4.0
105.04504	0.9
105.07035	2.1
106.04179	17.6
107.08598	3.6
109.10149	0.9
117.03391	85.4
117.07051	1.3
118.03705	1.3
119.04949	1.3
121.06505	6.4
121.10154	5.0
131.04921	1.9
131.08580	1.0
134.03642	11.9
135.04431	3.7
135.11699	0.9
140.17761	0.6
145.02859	100.0
146.03156	1.4
149.05994	33.7
152.92949	0.7
158.06030	0.9
159.11711	1.0
162.03160	2.4
162.06851	1.1
163.03918	2.6
177.05490	31.4
177.09100	7.8
177.12726	1.4
177.16451	3.3
186.05507	1.6
191.82222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07538	0.7
53.03936	0.9
55.01866	2.1
56.96339	0.8
56.96571	9.0
57.03196	0.6
57.03438	5.3
58.36105	0.8
58.99858	2.0
61.02922	3.3
66.00508	0.8
69.03429	3.7
69.21923	6.6
70.06599	1.0
70.99837	0.8
71.95248	1.5
72.08179	1.1
73.02927	8.0
78.52951	1.1
81.03415	2.8
82.01397	1.0
82.99850	1.3
83.00787	1.2
84.01522	1.0
84.08134	0.8
85.01418	1.3
85.02913	4.4
86.03690	1.5
87.01140	1.4
88.03992	1.0
89.00758	1.2
89.03920	1.9
90.01542	0.8
93.01865	0.9
94.99842	4.1
95.01293	0.8
96.01534	1.3
97.02907	3.2
98.97590	25.2
98.98503	1.3
100.02441	1.8
101.00869	7.5
102.02409	2.5
102.52476	0.9
103.00649	7.8
103.02368	1.0
105.02206	4.2
109.02876	3.4
110.01313	3.1
110.97589	2.1
113.00874	54.3
114.01012	1.6
115.02436	1.2
116.98617	9.1
117.02176	2.5
117.03354	2.4
119.01869	10.9
121.01675	8.1
126.02566	0.8
127.02460	1.3
127.03885	1.7
128.02324	8.6
129.02138	1.1
129.03975	1.8
130.03891	1.0
131.01913	100.0
132.02046	2.8
133.03450	2.3
134.99631	2.3
135.03206	8.7
136.02449	8.8
137.00856	1.3
137.02866	2.8
139.02739	0.9
143.00183	1.0
143.01917	2.6
145.01718	1.4
145.02773	1.6
145.03629	1.5
147.03197	2.8
149.01195	1.4
149.02982	8.4
149.05997	2.1
153.04274	2.1
154.03499	44.7
155.01913	7.1
155.03668	1.1
157.03522	1.7
159.03133	1.1
160.09718	1.1
161.02965	1.7
162.03192	0.8
163.02681	2.2
172.01588	1.1
172.04605	3.4
172.99323	0.9
173.01517	1.2
173.02968	7.0
175.04631	1.2
177.02509	1.8
177.04300	6.9
177.06694	1.0
177.09180	0.8
177.12479	1.0
185.02948	2.4
191.04050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
56.96567	9.4
57.03431	0.5
58.99846	0.4
61.02922	0.4
68.37653	0.3
69.03414	0.5
70.18224	0.7
70.98141	0.3
71.04988	0.4
71.95260	2.4
73.02904	0.8
84.96072	0.4
85.01398	0.4
85.02915	0.5
87.01145	0.5
89.03928	0.4
91.02438	0.7
94.99819	0.6
95.06561	0.3
97.02911	0.6
98.97590	100.0
99.97961	0.5
101.00887	1.5
102.01520	0.3
103.00620	0.8
105.02172	0.6
107.04937	0.5
109.02901	0.5
110.01258	0.6
110.97527	0.6
113.00874	4.6
116.98628	38.0
117.03384	0.5
117.98936	0.4
119.01913	1.6
121.01699	1.3
128.02290	1.5
128.98564	0.3
131.01920	10.2
133.01683	0.5
133.03426	0.4
134.99661	8.8
135.03249	1.1
136.02432	0.7
136.06174	0.5
136.93161	0.6
137.02893	0.6
140.00232	0.5
140.98566	0.5
143.99648	0.3
145.01604	0.4
147.03218	0.4
149.02969	1.0
151.99725	0.4
154.03510	4.2
154.94165	0.6
158.99727	1.0
159.01421	0.6
166.27663	0.3
168.55475	0.3
172.01546	0.7
172.95279	0.5
177.00772	1.2
177.02460	3.0
177.04259	1.4
177.06668	1.1
195.01772	0.4
195.03514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
50.55336	0.9
55.05512	8.6
57.07079	1.1
62.57284	1.1
67.05509	1.5
69.07072	21.6
70.77740	1.6
70.78077	1.6
71.75695	1.1
79.05480	1.4
81.07061	8.7
83.08621	3.6
91.05496	11.6
93.07044	4.5
95.08630	6.1
98.98479	29.9
98.99136	1.5
103.05496	1.3
105.07033	24.2
107.08616	6.1
115.05444	1.5
117.07006	4.2
119.08588	85.0
121.10165	3.0
129.06981	1.0
130.06552	1.0
131.08556	4.0
132.95834	2.0
133.10139	78.3
142.06876	1.1
145.10132	6.2
146.10930	1.3
147.04366	2.4
147.08035	3.3
147.11707	11.6
157.13400	1.1
160.05202	2.7
160.12462	3.0
173.13246	2.6
175.07536	7.4
175.11252	4.7
175.14841	100.0
176.15164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
54.35737	0.3
54.98642	0.5
55.01870	0.6
56.21416	0.3
56.96567	13.6
57.03445	0.7
57.93568	0.4
58.19458	0.3
68.85324	0.4
69.03426	1.2
70.79564	1.0
71.04979	0.4
71.95248	2.2
73.02926	0.5
79.05502	0.6
81.03441	0.4
85.02904	0.7
89.03919	3.3
91.05483	1.4
93.07037	1.0
95.04978	0.4
95.06214	0.4
97.02913	1.3
98.97587	100.0
98.98431	5.2
99.97929	0.7
101.00874	0.4
103.05466	1.1
103.90167	0.4
107.04948	1.5
107.08576	0.6
109.02881	0.4
110.01309	0.6
110.97551	0.4
113.00877	0.7
116.10754	1.3
116.98624	47.5
117.03378	6.3
117.98963	0.7
118.92069	0.6
118.96743	1.3
119.01816	1.3
121.06495	1.1
121.10158	1.0
124.99169	0.5
127.03926	0.4
128.02318	1.4
128.98578	0.7
131.00206	0.4
131.01938	1.8
131.04921	1.0
134.03616	1.2
134.95847	0.5
134.99666	13.5
135.04390	0.9
136.93134	0.9
137.02853	0.8
140.00186	0.9
145.02834	6.2
149.01279	0.4
149.02373	0.7
149.05989	4.0
149.94524	0.9
153.00684	0.8
153.96687	0.7
154.03450	0.6
154.94179	1.2
154.96422	0.4
158.99637	0.9
162.03143	1.4
163.03940	0.6
169.01668	0.4
172.95241	1.4
177.00693	1.5
177.04115	0.5
177.05426	5.6
177.06630	0.6
177.09036	0.5
177.12645	0.5
177.16400	0.4
187.02663	0.4
195.01689	0.5
199.76994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03943	1.1
55.05515	8.2
57.07081	1.0
59.08543	0.4
65.03934	0.7
65.29694	0.5
67.05508	2.9
69.07074	17.3
69.16289	5.3
70.06591	0.5
71.02785	0.5
75.28077	0.4
77.03940	0.6
78.04714	0.5
79.05496	4.1
81.07062	10.5
83.08628	3.9
88.73756	0.4
89.03944	0.7
89.28555	0.5
91.05486	18.5
93.07050	5.0
95.08616	9.7
98.20751	1.1
98.98475	19.3
103.05474	1.8
104.06261	1.8
105.07035	35.4
106.07339	0.6
107.08609	7.3
115.05473	7.5
116.06241	0.6
117.07041	5.5
119.04932	2.7
119.08589	80.8
120.08871	0.8
121.10121	2.9
128.06239	0.7
129.06984	2.0
131.04909	0.8
131.06987	0.5
131.08577	5.9
132.05730	3.8
132.09375	0.8
132.95853	0.6
133.10138	100.0
134.10402	0.9
135.11610	0.7
142.07826	0.6
143.04932	1.4
144.05731	1.4
145.06485	0.7
145.10144	6.4
146.10898	1.6
147.04413	1.5
147.08064	3.8
147.11707	14.1
157.10095	1.0
158.10902	0.6
159.11731	0.9
160.05211	8.4
160.12506	4.1
173.13322	2.4
175.03934	1.1
175.07562	17.5
175.11427	3.7
175.14836	85.5
176.15221	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03964	1.1
55.01876	0.8
55.05516	9.9
57.07075	0.9
59.25663	0.7
63.01178	0.7
65.03930	1.4
67.05510	1.8
69.07074	23.5
70.47636	2.6
70.47983	0.7
79.05479	3.8
81.07057	7.4
83.08621	4.2
91.05484	18.4
93.07040	5.0
95.08611	5.8
98.98473	19.9
103.05463	1.7
104.06242	1.5
105.07039	31.3
107.04936	1.7
107.08606	5.9
115.05457	7.7
116.06208	1.1
117.07032	6.6
118.07816	0.8
119.04944	3.0
119.08590	98.0
121.10158	2.8
128.06194	1.0
129.07024	2.3
131.08568	4.4
132.05730	4.3
132.95845	1.2
133.01337	0.9
133.10141	85.0
134.10397	0.7
135.11766	1.2
135.55568	0.8
135.72749	0.8
143.04953	1.7
144.05721	1.5
145.06500	2.0
145.10115	7.9
146.10928	1.3
147.04402	5.9
147.08066	5.3
147.11702	14.0
157.10109	1.7
160.05203	10.2
160.12505	4.1
173.13245	2.6
175.03870	1.2
175.07556	30.1
175.11319	4.7
175.14841	100.0
176.07870	1.1
176.15150	2.4
181.67813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	1.4
55.05517	10.4
55.05769	1.4
57.07074	2.1
61.75859	0.9
67.05500	3.4
67.83953	0.8
69.07074	16.6
69.61264	5.3
71.12323	1.0
79.05482	3.0
81.07064	17.6
83.08622	4.5
91.05490	21.8
93.07053	9.9
95.06319	0.8
95.08607	12.0
96.99471	0.8
97.10101	0.8
98.20841	1.3
98.98460	3.8
103.05469	1.1
105.07043	58.8
107.04934	1.1
107.08611	10.8
110.05054	0.9
115.05491	1.1
117.07025	4.9
119.08593	100.0
121.10152	2.9
129.07010	1.5
130.94171	1.0
131.08586	10.4
132.09343	1.0
133.10144	57.9
134.03633	1.0
134.10559	0.8
141.79558	1.2
145.10167	4.8
146.10939	4.1
147.04419	10.0
147.08047	5.6
147.11707	18.2
160.05252	2.1
160.12506	2.0
173.13304	2.1
175.07581	9.5
175.14850	94.0
176.15213	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.63191	0.5
54.74801	0.5
55.05519	2.3
57.07063	0.4
67.05491	1.2
69.07074	3.6
69.67211	2.4
78.04698	0.8
79.05484	1.6
81.07076	3.1
83.08613	1.0
84.88817	0.5
89.03909	0.6
91.05492	15.5
93.07056	1.6
95.08601	2.0
98.98476	24.5
102.04662	0.6
103.05451	2.3
104.06260	6.2
105.03380	1.0
105.07043	10.6
107.04940	1.5
107.08585	1.7
113.67657	0.5
115.05470	34.6
116.06334	2.3
116.18693	0.5
117.06237	0.8
117.07028	10.6
119.04933	1.7
119.08595	25.6
128.06236	3.5
129.07034	4.9
131.04947	4.8
131.08568	1.8
132.05725	16.9
133.10149	17.1
143.03938	0.9
143.04956	9.5
144.05727	5.9
145.06482	3.8
145.10135	0.8
146.07346	0.7
147.04443	3.5
147.08064	11.5
147.11673	3.4
155.06038	1.2
157.10226	1.1
160.05215	52.6
160.12556	0.5
161.05672	1.2
169.09122	0.5
175.07565	100.0
175.11169	2.2
175.14844	20.0
176.04681	0.7
176.07951	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
53.03941	0.4
53.90493	0.3
55.01881	2.0
55.05494	0.5
56.05030	0.6
56.96569	4.6
57.03446	3.3
58.99866	1.0
60.05654	35.3
61.02930	2.2
61.60000	0.3
67.05517	0.6
69.03432	2.7
70.06597	100.0
70.61514	1.3
70.98110	0.4
70.99870	0.4
71.01355	0.5
71.05010	2.5
71.06937	1.0
71.95274	0.5
72.08164	6.6
73.02919	4.1
74.03258	0.5
75.01929	0.5
75.78429	0.4
81.03420	0.9
81.07081	0.6
82.02708	0.5
82.99857	0.6
83.01358	1.3
83.04990	1.1
84.08141	2.6
84.96017	0.5
85.01417	1.5
85.02916	4.3
87.00829	0.4
87.04475	0.9
88.02702	0.6
88.67833	0.4
93.01892	0.7
93.03432	0.5
97.01427	0.5
97.02895	2.4
97.07632	0.9
98.06068	0.8
98.97601	3.1
98.98474	14.9
99.04443	0.6
101.00887	4.5
101.02388	0.9
102.00969	0.9
102.02438	0.6
102.52618	0.4
102.70719	0.4
103.00636	1.5
103.02448	3.1
110.02135	0.4
111.02952	1.7
111.04436	0.7
111.52985	0.8
112.02846	0.8
112.07607	2.1
112.08735	4.6
113.00877	1.2
113.01595	0.5
113.07216	0.5
114.05563	0.5
114.10280	0.5
114.48476	0.4
115.00641	0.7
115.02457	2.0
115.03957	0.8
115.05883	1.2
115.08707	1.3
116.07102	29.1
116.98634	1.5
117.02193	0.6
117.02944	0.7
117.07439	0.4
119.01931	8.6
120.02084	0.8
120.03435	2.1
121.01670	1.9
121.03427	0.6
124.95514	0.7
126.03460	1.3
127.02418	0.6
127.03969	0.7
128.98595	0.5
129.01880	1.6
129.03969	1.3
130.08786	0.7
130.09770	13.3
130.12231	0.7
131.01888	3.3
132.02075	1.4
132.95848	1.0
132.98122	0.6
133.01694	1.2
133.03467	5.1
133.10106	0.4
135.03078	0.5
135.04007	1.0
137.02985	0.9
142.96579	0.8
143.01927	1.3
144.01945	0.7
145.03452	2.8
146.03580	0.6
147.01393	0.5
147.03171	0.8
150.99191	0.4
151.04529	1.6
155.01909	1.0
156.02084	0.6
157.01537	1.0
157.03505	1.8
157.10851	1.3
158.09248	7.9
161.02977	2.3
162.03108	0.5
163.02751	0.7
167.01990	0.4
171.01520	0.9
173.02943	1.2
174.03104	0.7
174.99268	0.6
175.02434	2.2
175.04539	4.9
175.06038	0.8
175.11928	18.9
176.04861	0.5
185.02968	1.4
186.03177	0.8
187.01059	0.4
193.00209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.06
Annotation	6-Methyl-1,4-naphthoquinone
Peak:m/z	Relative Intensity
55.05521	6.0
55.93492	0.3
59.05000	1.3
65.03917	0.7
67.05482	0.5
70.84270	0.8
72.93794	3.1
76.02193	0.5
81.07056	0.6
83.04993	4.8
87.04449	0.6
89.03934	0.7
90.94840	2.5
91.05489	13.9
101.06033	4.2
102.04695	8.2
103.03284	0.7
103.05482	9.2
105.03384	0.6
105.07059	2.2
111.04456	6.9
112.53207	0.5
113.06003	0.6
113.96408	0.5
115.05469	100.0
116.05669	0.6
116.06294	1.4
117.07031	53.1
118.07391	0.9
119.08582	2.5
127.05446	4.9
127.07539	0.7
128.06245	1.6
129.05484	1.4
129.07016	1.6
130.04150	7.5
130.07768	0.8
131.04951	1.4
131.08585	14.2
133.10156	0.4
143.04939	4.3
143.08606	3.5
144.05722	0.9
144.09360	1.1
144.47131	0.4
145.06502	47.6
145.10150	6.2
146.06882	0.8
149.94102	0.6
149.96161	0.9
155.04974	1.4
155.06035	27.4
155.07057	2.7
156.06549	0.4
158.07304	0.5
158.10939	5.6
161.06004	2.1
173.02391	1.3
173.06009	35.5
173.08179	6.4
173.09700	1.6
173.13274	16.3
174.06375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05515	10.0
56.96572	1.3
57.03420	0.5
59.05002	2.0
63.02388	0.7
65.03950	0.5
67.05518	5.9
68.00514	0.4
69.03440	0.8
69.16183	4.6
72.93793	5.3
75.36644	0.4
76.02233	0.9
79.05488	1.3
81.07067	1.6
83.04984	10.0
83.08621	0.6
83.28004	0.4
85.02921	0.5
87.04481	0.6
89.02393	0.9
89.03925	0.6
90.90385	1.4
90.94846	4.6
91.04907	0.8
91.05486	15.6
93.07073	0.7
95.04972	0.5
95.08611	0.5
98.21555	1.0
98.97585	0.8
99.63356	0.4
99.83663	0.4
101.06030	9.0
102.04695	7.4
102.05321	0.7
103.03294	1.7
103.05476	10.1
105.03401	0.7
105.07037	6.6
109.10174	2.7
111.03725	0.8
111.04454	12.7
112.99134	0.6
113.06030	1.2
113.96412	1.2
115.05463	100.0
116.06262	1.5
117.07027	58.0
119.08593	5.2
119.58224	0.4
122.23866	0.4
127.05445	5.1
127.07561	1.1
128.06245	1.4
129.05524	2.4
129.07016	4.9
130.04158	7.3
130.07802	2.2
131.04987	2.0
131.08578	31.0
133.10120	1.0
137.06009	0.5
143.04953	4.6
143.08568	8.7
143.65477	0.4
144.05731	1.0
144.09354	3.5
145.06493	46.4
145.10136	15.1
145.28024	0.5
146.06833	0.6
149.94069	1.0
149.96092	1.9
155.04977	1.4
155.06020	27.7
155.07083	4.7
156.09383	0.8
158.07288	1.6
158.10933	11.4
161.05977	2.0
167.97162	1.7
171.11697	1.3
172.05139	0.6
173.02342	1.5
173.05988	35.6
173.08199	10.3
173.09671	3.3
173.13272	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0654
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
52.17709	0.4
53.03953	0.9
55.01872	3.9
55.05520	3.1
56.38336	0.5
56.79414	0.4
56.96563	1.1
64.24804	0.5
65.03948	30.5
67.05516	2.0
68.99796	8.5
69.03431	1.8
70.06604	0.5
70.94262	0.5
71.01344	0.5
71.22841	0.8
71.42229	0.4
71.72891	0.4
72.04519	1.5
79.01868	0.8
79.05501	0.5
81.03425	4.2
83.01345	0.9
83.04990	12.0
89.07186	0.9
93.03414	17.2
93.03996	1.0
96.02126	1.9
97.02906	2.1
98.97585	1.0
107.01348	0.6
109.02917	1.0
110.03685	0.5
110.97579	0.8
111.04453	88.9
112.04800	1.4
121.02905	1.5
121.04002	10.7
125.02441	0.6
127.03901	0.8
128.98582	0.6
139.00381	2.1
139.03915	100.0
140.04208	1.0
153.01846	4.3
157.01357	0.8
171.02876	0.8
171.06529	5.8
172.31226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0599
Annotation	6-Methyl-1,4-naphthoquinone
Peak:m/z	Relative Intensity
51.91455	0.3
52.98145	0.3
53.03966	0.5
55.05272	0.5
55.05518	5.3
59.05007	1.1
63.47087	0.3
64.95898	0.3
67.05515	0.9
71.50202	0.4
72.93799	2.7
76.02262	0.4
79.05498	0.4
81.07068	0.5
83.04985	5.9
87.04503	0.4
89.02390	0.5
89.03876	0.4
90.90379	0.6
90.94835	2.8
91.05488	12.9
93.07040	0.4
97.60165	0.3
99.04427	0.3
101.06019	4.4
102.04695	7.9
103.03314	0.6
103.05477	9.0
105.03445	0.9
105.07046	2.1
108.95856	0.8
109.44822	0.4
111.04451	6.7
113.05991	0.6
113.96401	0.5
115.05462	100.0
116.05717	0.6
116.06360	0.6
117.07024	55.5
118.07367	0.9
119.08607	2.0
127.05442	4.9
127.07562	0.8
128.06232	1.5
129.05486	1.2
129.07008	2.2
130.04152	7.5
130.07803	0.9
131.04971	1.9
131.08571	12.3
143.04941	3.9
143.08580	3.8
144.05708	0.8
144.09346	1.4
145.06493	49.3
145.10129	4.8
146.06871	0.8
149.94069	0.6
149.96144	0.8
155.04990	1.0
155.06026	26.4
155.07059	2.9
156.06572	0.3
158.07309	0.7
158.10909	5.8
161.05991	2.7
171.11803	0.4
173.05997	36.1
173.08142	5.8
173.09647	2.0
173.13263	17.0
174.06345	0.7
181.07126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03950	0.4
55.01875	4.4
55.05516	1.0
55.93528	1.2
56.05037	5.0
56.94303	0.4
56.96566	38.9
57.03437	3.1
57.93568	0.3
58.99867	0.4
60.95858	1.5
61.01155	2.8
61.02926	2.1
64.95567	0.4
65.03924	1.8
67.05508	1.2
68.05026	0.7
68.59073	0.3
68.98306	0.9
68.99795	1.8
69.03432	5.1
69.03779	0.4
69.44313	2.2
70.03783	0.6
70.06591	0.9
70.94247	0.6
70.95856	0.6
70.98122	3.9
70.99845	0.7
71.01359	0.6
71.05009	0.5
71.95264	2.4
71.99911	0.3
72.04517	0.4
72.08165	0.6
72.93799	0.9
72.96041	0.5
73.02919	3.0
73.06560	0.6
74.97600	1.6
77.00899	0.8
79.05514	2.0
80.00259	0.6
80.05018	0.5
81.03429	3.2
81.05795	0.9
81.07072	0.5
82.01449	0.7
82.06570	0.5
83.00840	0.5
83.01362	0.8
83.04984	1.1
83.08653	0.3
84.94900	0.5
84.96029	2.3
85.01411	2.9
85.02906	5.8
86.03703	0.5
86.09684	0.3
86.99335	0.7
87.02729	0.6
87.04499	0.9
88.02212	4.0
88.95311	0.5
88.96918	0.7
88.99158	1.4
89.00831	0.6
90.01579	0.4
90.94830	0.4
91.05470	0.4
92.05002	1.1
93.05795	1.4
94.04095	0.5
94.06566	0.6
95.00771	0.7
95.04990	0.9
96.01537	0.5
96.04465	0.5
96.06891	1.2
96.08126	1.7
97.02891	5.5
97.06582	0.4
98.01305	0.8
98.03193	0.8
98.06084	0.4
98.97588	12.2
99.04469	1.0
99.09239	0.4
100.00080	0.4
100.02454	3.5
100.99172	0.8
101.00877	3.8
101.02462	0.6
102.00945	0.7
102.01595	0.5
102.02271	1.2
102.96861	0.4
103.00617	0.6
103.02445	6.4
103.03098	0.7
104.01295	0.7
105.00359	0.7
105.02140	0.7
106.06551	1.4
107.00183	0.6
109.01408	0.4
109.02263	0.5
109.02891	2.4
109.07650	1.0
110.01295	1.2
110.03188	0.3
110.06051	0.8
110.07167	0.7
110.97575	12.3
110.99309	0.7
111.02159	0.4
111.02911	0.4
111.04482	1.6
112.07633	0.9
112.99171	0.4
113.00890	0.5
113.02436	0.5
113.96397	0.4
114.01541	0.4
115.00674	0.6
115.02348	1.1
115.03945	0.7
115.97884	0.4
116.01244	0.5
116.97240	0.8
116.98614	5.8
117.00954	0.3
117.02095	0.9
117.03971	0.9
118.01025	2.6
118.03521	1.4
118.04235	0.3
118.51138	0.5
118.94352	0.4
119.00177	0.3
119.01907	8.8
119.03497	0.7
119.51930	0.6
119.97356	1.0
120.00912	0.5
120.02028	2.0
120.03315	0.5
121.01670	1.6
121.02807	6.7
121.03520	1.2
122.03179	0.5
123.06814	0.6
123.99129	1.0
124.04755	0.7
124.07598	7.6
124.08695	1.8
124.11240	0.4
124.54823	0.5
125.01733	0.7
125.05941	0.5
125.07047	0.3
127.00673	0.7
127.01534	4.6
127.02416	0.6
127.03978	1.8
128.02345	0.9
128.52458	0.5
128.95093	2.5
128.96487	0.5
128.97853	0.8
128.98618	15.6
129.00262	3.1
129.01970	1.5
129.03973	4.9
131.00171	0.8
131.01883	1.5
133.01654	1.2
133.03453	1.0
134.06017	70.2
134.99677	1.9
135.03174	0.4
135.05093	0.6
135.06372	0.7
136.06184	21.2
137.02927	1.3
137.04686	0.5
137.05742	0.5
137.06639	0.7
139.00261	7.6
139.03928	1.4
140.02272	0.5
142.00194	0.3
142.03453	0.7
142.08672	0.5
143.00188	1.1
143.01793	0.6
145.01721	1.1
145.03458	1.8
146.03625	2.0
146.04652	0.3
146.96106	1.7
146.97426	1.8
146.98726	0.2
146.99641	12.1
147.01387	13.3
147.03188	4.7
147.05006	17.6
148.01660	0.4
148.05156	0.6
149.02815	0.7
150.05464	0.4
151.00667	0.9
152.01930	1.5
152.07065	100.0
153.01767	0.7
153.07388	1.4
155.00082	0.4
156.08002	0.7
157.01326	4.9
157.03395	0.5
158.06583	1.6
158.99643	1.6
159.03239	0.4
159.05043	0.5
161.01225	0.9
161.02908	0.6
161.04735	0.4
162.06203	0.6
163.02736	0.7
164.98564	0.6
165.00670	3.0
165.02396	1.1
165.04330	1.0
165.06085	4.0
169.01740	1.7
169.03456	0.4
169.54578	0.4
170.01428	0.7
170.03011	7.6
170.04640	0.6
170.05040	0.5
170.06636	5.0
170.08122	14.9
170.09592	4.1
170.11800	1.2
170.99625	1.2
171.01395	0.6
171.02882	1.7
171.05038	2.9
173.01231	0.7
173.03069	0.3
174.99181	0.4
176.07643	0.8
177.00703	1.0
177.04292	1.1
183.01735	0.5
187.02753	1.5
187.04381	0.4
188.07655	2.1
189.00705	1.4
189.02362	0.4
189.06084	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	169.1225
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03944	4.5
55.01878	3.5
55.05514	7.3
57.03448	3.9
57.07071	6.2
58.54499	1.6
59.04714	2.9
59.05007	58.4
61.37941	1.5
65.03938	4.7
67.05508	20.9
69.03419	5.6
69.07077	11.7
69.96342	6.8
71.04999	15.4
77.67982	1.2
79.05505	23.2
81.07066	100.0
83.04967	2.6
83.08608	3.5
85.06554	13.9
85.73061	1.5
87.04483	12.0
89.06061	3.8
89.68444	1.6
91.05468	14.0
93.05796	1.5
93.06496	2.8
93.07056	45.3
95.04973	7.7
95.08608	11.5
97.06536	3.4
105.07051	35.9
107.04935	2.1
107.08608	11.8
109.02885	5.0
109.06544	15.8
109.10166	37.2
110.03645	2.2
111.00805	1.8
111.04449	1.8
111.08098	7.9
112.18013	1.8
113.06026	4.7
121.10120	8.8
123.04438	2.1
123.08111	4.5
123.11724	34.6
125.05956	2.2
125.09618	2.2
126.03165	2.6
133.10135	10.9
141.05463	7.6
141.07013	4.5
151.04008	2.4
151.07552	6.3
151.10005	1.7
151.11195	27.3
153.06966	1.6
154.07771	5.2
162.11986	1.7
169.05022	1.6
169.07559	2.3
169.10159	9.2
169.12218	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	170.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01875	4.4
55.05516	1.0
55.93528	1.2
56.05037	5.0
56.94303	0.4
56.96566	38.9
57.03437	3.1
57.93568	0.3
58.99867	0.4
60.95858	1.5
61.01155	2.8
61.02926	2.1
64.95567	0.4
65.03924	1.8
67.05508	1.2
68.05026	0.7
68.59073	0.3
68.98306	0.9
68.99795	1.8
69.03432	5.1
69.03779	0.4
69.44313	2.2
70.03783	0.6
70.06591	0.9
70.94247	0.6
70.95856	0.6
70.98122	3.9
70.99845	0.7
71.01359	0.6
71.05009	0.5
71.95264	2.4
71.99911	0.3
72.04517	0.4
72.08165	0.6
72.93799	0.9
72.96041	0.5
73.02919	3.0
73.06560	0.6
74.97600	1.6
77.00899	0.8
79.05514	2.0
80.00259	0.6
80.05018	0.5
81.03429	3.2
81.05795	0.9
81.07072	0.5
82.01449	0.7
82.06570	0.5
83.00840	0.5
83.01362	0.8
83.04984	1.1
83.08653	0.3
84.94900	0.5
84.96029	2.3
85.01411	2.9
85.02906	5.8
86.03703	0.5
86.09684	0.3
86.99335	0.7
87.02729	0.6
87.04499	0.9
88.02212	4.0
88.95311	0.5
88.96918	0.7
88.99158	1.4
89.00831	0.6
90.01579	0.4
90.94830	0.4
91.05470	0.4
92.05002	1.1
93.05795	1.4
94.04095	0.5
94.06566	0.6
95.00771	0.7
95.04990	0.9
96.01537	0.5
96.04465	0.5
96.06891	1.2
96.08126	1.7
97.02891	5.5
97.06582	0.4
98.01305	0.8
98.03193	0.8
98.06084	0.4
98.97588	12.2
99.04469	1.0
99.09239	0.4
100.00080	0.4
100.02454	3.5
100.99172	0.8
101.00877	3.8
101.02462	0.6
102.00945	0.7
102.01595	0.5
102.02271	1.2
102.96861	0.4
103.00617	0.6
103.02445	6.4
103.03098	0.7
104.01295	0.7
105.00359	0.7
105.02140	0.7
106.06551	1.4
107.00183	0.6
109.01408	0.4
109.02263	0.5
109.02891	2.4
109.07650	1.0
110.01295	1.2
110.03188	0.3
110.06051	0.8
110.07167	0.7
110.97575	12.3
110.99309	0.7
111.02159	0.4
111.02911	0.4
111.04482	1.6
112.07633	0.9
112.99171	0.4
113.00890	0.5
113.02436	0.5
113.96397	0.4
114.01541	0.4
115.00674	0.6
115.02348	1.1
115.03945	0.7
115.97884	0.4
116.01244	0.5
116.97240	0.8
116.98614	5.8
117.00954	0.3
117.02095	0.9
117.03971	0.9
118.01025	2.6
118.03521	1.4
118.04235	0.3
118.51138	0.5
118.94352	0.4
119.00177	0.3
119.01907	8.8
119.03497	0.7
119.51930	0.6
119.97356	1.0
120.00912	0.5
120.02028	2.0
120.03315	0.5
121.01670	1.6
121.02807	6.7
121.03520	1.2
122.03179	0.5
123.06814	0.6
123.99129	1.0
124.04755	0.7
124.07598	7.6
124.08695	1.8
124.11240	0.4
124.54823	0.5
125.01733	0.7
125.05941	0.5
125.07047	0.3
127.00673	0.7
127.01534	4.6
127.02416	0.6
127.03978	1.8
128.02345	0.9
128.52458	0.5
128.95093	2.5
128.96487	0.5
128.97853	0.8
128.98618	15.6
129.00262	3.1
129.01970	1.5
129.03973	4.9
131.00171	0.8
131.01883	1.5
133.01654	1.2
133.03453	1.0
134.06017	70.2
134.99677	1.9
135.03174	0.4
135.05093	0.6
135.06372	0.7
136.06184	21.2
137.02927	1.3
137.04686	0.5
137.05742	0.5
137.06639	0.7
139.00261	7.6
139.03928	1.4
140.02272	0.5
142.00194	0.3
142.03453	0.7
142.08672	0.5
143.00188	1.1
143.01793	0.6
145.01721	1.1
145.03458	1.8
146.03625	2.0
146.04652	0.3
146.96106	1.7
146.97426	1.8
146.98726	0.2
146.99641	12.1
147.01387	13.3
147.03188	4.7
147.05006	17.6
148.01660	0.4
148.05156	0.6
149.02815	0.7
150.05464	0.4
151.00667	0.9
152.01930	1.5
152.07065	100.0
153.01767	0.7
153.07388	1.4
155.00082	0.4
156.08002	0.7
157.01326	4.9
157.03395	0.5
158.06583	1.6
158.99643	1.6
159.03239	0.4
159.05043	0.5
161.01225	0.9
161.02908	0.6
161.04735	0.4
162.06203	0.6
163.02736	0.7
164.98564	0.6
165.00670	3.0
165.02396	1.1
165.04330	1.0
165.06085	4.0
169.01740	1.7
169.03456	0.4
169.54578	0.4
170.01428	0.7
170.03011	7.6
170.04640	0.6
170.05040	0.5
170.06636	5.0
170.08122	14.9
170.09592	4.1
170.11800	1.2
170.99625	1.2
171.01395	0.6
171.02882	1.7
171.05038	2.9
173.01231	0.7
173.03069	0.3
174.99181	0.4
176.07643	0.8
177.00703	1.0
177.04292	1.1
183.01735	0.5
187.02753	1.5
187.04381	0.4
188.07655	2.1
189.00705	1.4
189.02362	0.4
189.06084	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	169.0497
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.00315	0.8
53.03939	1.4
55.01871	2.7
55.05520	1.6
57.06291	0.7
65.03935	3.1
67.01868	4.8
67.05515	5.1
67.53214	0.7
68.99795	5.0
69.03418	1.9
70.06596	1.6
71.04349	1.7
71.04977	2.2
71.06915	2.1
79.05491	0.8
81.03433	6.2
81.07061	5.2
83.04984	3.7
85.02896	2.7
85.94609	1.2
91.63600	0.7
93.03416	1.6
93.07024	0.9
95.04984	8.7
95.08653	1.5
97.06574	1.1
98.03687	1.0
99.04469	0.7
105.07036	1.8
107.08598	1.5
109.02888	10.6
109.06509	2.0
109.10143	1.6
111.00803	9.2
111.04460	3.6
111.08111	4.0
123.04439	39.1
123.08066	1.5
123.11733	3.4
125.06036	1.1
126.03157	12.9
127.03939	9.6
133.10143	1.3
141.05473	30.6
151.03920	53.1
151.11165	1.4
153.01755	0.7
154.02605	1.5
169.04982	100.0
169.12186	0.9
170.05278	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03950	3.2
55.01881	3.5
55.05518	89.2
57.03428	2.1
57.07085	2.7
59.05003	10.6
60.09916	1.4
65.03957	1.7
67.05512	15.4
67.83857	1.5
69.03437	23.5
69.07065	9.7
70.93742	1.5
71.04993	4.0
78.04697	6.2
79.05504	11.9
81.07077	16.2
83.04990	100.0
83.08630	34.7
85.06557	8.2
86.64640	1.5
91.05493	4.6
92.41261	1.4
93.07059	13.3
95.08595	7.1
97.06522	4.5
97.10186	9.1
98.20785	5.0
99.08118	1.6
101.08228	1.4
105.07053	3.7
106.04187	2.7
107.04951	3.2
107.08604	19.3
109.06512	2.6
109.10172	19.2
111.08087	26.5
112.08876	5.7
113.09661	3.6
121.10148	13.6
123.04440	15.5
123.11720	9.5
124.05293	3.8
125.09663	13.6
137.35449	1.7
149.13275	5.9
151.03917	1.6
152.04759	2.3
167.07059	46.3
167.10687	1.9
167.14330	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	169.0497
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
53.03952	1.7
54.16941	0.6
55.01894	1.7
55.05523	2.9
56.96566	1.3
57.03435	1.1
59.04997	1.0
65.03947	100.0
66.04279	1.7
67.05508	3.3
67.93563	0.7
68.99795	2.1
69.03437	1.7
69.07075	1.0
70.06553	4.5
71.04996	1.8
75.21440	0.7
79.05494	1.6
81.03417	6.6
81.07054	4.6
83.04979	5.5
84.93819	0.6
85.02914	3.7
85.94600	2.5
91.05486	1.2
93.03413	76.8
93.07051	3.1
94.03728	0.9
95.04980	4.0
95.08607	2.7
97.02904	0.7
97.06516	0.9
98.03699	0.8
98.33829	0.7
98.97668	0.8
99.04464	1.9
105.07040	1.8
107.04967	1.0
107.08609	1.0
108.02130	1.4
109.02892	11.1
109.06544	2.3
109.10168	1.5
110.03681	17.0
110.04398	1.3
111.00813	5.6
111.04452	98.4
111.08089	9.6
111.08805	1.1
112.04795	1.1
113.06026	1.0
116.98653	0.8
121.02859	0.7
123.04430	3.3
123.08085	2.1
123.11723	2.3
124.05273	0.7
124.07682	0.9
125.06003	40.2
126.03152	9.0
126.06322	1.0
127.03904	3.5
127.07516	0.8
127.11015	0.6
128.95126	1.0
133.10147	0.7
134.06024	1.4
136.01598	0.9
137.02322	0.8
141.05481	20.5
145.96666	2.1
151.03925	27.9
151.05028	2.6
151.11250	1.2
152.04305	1.0
152.07079	1.6
154.02599	2.9
155.03401	3.3
158.99640	1.0
163.97716	2.4
169.04984	16.8
169.08710	1.3
169.09935	0.8
170.05759	3.1
170.09651	1.3
177.00742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02377	0.9
53.03953	2.9
55.01866	1.6
55.05516	11.1
59.04992	0.8
65.03934	1.2
66.04712	0.9
67.05509	3.1
69.03436	2.4
69.07064	1.2
70.62453	1.1
70.62822	1.1
71.04990	0.9
76.05096	0.5
77.03934	1.1
78.04715	17.6
79.05501	17.6
79.05968	0.7
81.03392	0.9
81.07068	3.9
83.04990	10.6
83.08628	4.0
85.06541	1.2
91.05489	5.1
93.03391	0.8
93.07051	6.1
94.04185	2.2
95.04982	4.0
95.08596	1.4
96.05798	0.6
97.02887	0.6
97.06557	1.1
97.10185	1.4
98.20701	0.6
103.05478	0.5
105.03426	1.2
105.04485	0.9
105.07031	5.0
106.04175	8.1
107.04966	12.7
107.08604	10.3
109.02219	0.5
109.02863	2.9
109.06518	1.8
109.10159	2.2
111.04396	0.6
111.07424	0.6
111.08080	3.6
112.08875	0.6
121.02905	1.2
121.06486	2.4
121.10137	6.3
122.03664	3.3
123.04440	29.9
123.08108	1.0
123.11690	1.3
124.05215	8.2
125.05956	1.6
125.09639	1.4
131.08563	3.7
134.03641	1.4
135.04422	1.7
137.05977	2.0
138.54228	0.5
139.07607	0.8
148.05009	0.4
149.02365	1.6
149.04967	0.7
149.06033	1.2
149.09625	6.8
150.03073	0.7
151.03917	5.1
152.03545	0.8
152.04712	7.0
167.03357	1.9
167.07050	100.0
167.10645	2.4
167.14299	3.9
168.07388	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
54.89348	0.9
55.01862	2.1
55.05515	35.0
57.03423	1.6
57.07067	0.9
59.04977	2.9
64.53768	0.9
65.03929	1.4
66.04707	1.1
67.05508	6.9
69.03436	8.5
69.07055	3.0
69.72028	1.0
70.06580	3.0
71.04195	2.1
71.04974	1.8
77.03927	1.9
78.04715	15.8
79.05499	16.5
81.07068	7.9
83.04982	31.4
83.08628	14.1
85.06532	3.1
91.05472	4.7
93.07050	6.2
94.04220	1.6
95.04992	5.0
95.08598	3.6
96.05736	1.4
97.06541	2.1
97.10211	4.6
105.03389	1.7
105.04507	1.1
105.07022	3.1
106.04179	6.5
107.04964	15.0
107.08602	12.4
109.02875	1.8
109.06538	1.7
109.10179	8.2
109.54681	0.9
111.08086	8.8
112.08852	2.6
113.09665	1.6
115.03278	0.9
121.02866	1.7
121.06501	1.5
121.10149	9.3
122.03665	2.0
123.04433	30.0
123.08083	1.7
123.11716	2.7
124.05225	9.5
125.06042	1.8
125.09635	5.2
134.03700	1.7
135.04385	1.8
137.05920	1.3
139.03938	2.0
139.11217	1.5
149.02376	2.6
149.09633	3.4
149.13261	2.2
151.03899	5.0
152.04695	6.6
152.75475	0.9
167.07047	100.0
167.10742	2.9
167.14325	15.1
168.07407	1.9
175.94656	0.9
179.29045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02386	0.4
53.03949	1.4
55.05452	0.3
65.03947	0.6
65.83540	0.3
66.04729	0.9
67.05482	0.3
68.99802	0.3
70.64902	0.7
70.65230	0.3
77.03938	0.7
78.04720	17.0
79.05074	0.5
79.05500	4.8
81.03432	0.8
81.07059	0.7
82.04185	0.4
91.05488	0.6
93.03416	0.8
93.07043	0.4
94.04182	1.3
95.04974	2.2
96.05772	1.3
97.06577	0.3
105.03426	1.3
105.04507	0.7
106.04185	8.5
107.04975	3.5
109.02895	1.2
109.06516	0.6
111.08102	0.4
120.02056	0.5
121.10174	0.3
122.03661	2.0
123.04442	30.6
124.05236	7.4
134.03658	2.1
135.04408	1.1
137.02348	0.5
137.05989	1.2
138.03125	0.5
149.02373	0.3
150.03096	0.6
151.03920	5.3
152.04704	5.9
157.31754	0.2
167.07054	100.0
168.07378	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.72731	0.3
52.39718	0.3
53.03938	1.4
53.39562	0.3
55.36802	0.3
55.52681	0.3
65.03940	0.6
66.04716	0.7
67.05509	0.7
70.51888	1.2
70.52246	0.4
77.03892	0.4
78.04714	15.7
79.05073	0.5
79.05495	4.7
81.03413	1.0
81.07061	0.8
88.43574	0.3
91.05464	0.7
93.03424	0.7
93.07039	0.5
94.04183	1.2
95.04958	1.7
96.05750	1.2
105.03386	1.1
105.04507	0.5
106.04189	7.9
107.04976	3.2
109.02870	1.7
113.12627	0.4
120.02086	0.6
121.02835	0.6
121.08450	1.0
122.03675	2.4
123.04433	28.4
124.05234	6.0
134.03592	1.8
135.04414	1.0
137.06009	1.2
150.03058	0.4
151.03908	4.9
152.04678	5.7
167.07042	100.0
168.07379	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02371	0.4
53.03946	2.5
55.01870	0.6
55.05504	0.6
65.03952	0.5
66.04711	1.8
67.05500	0.8
69.93465	1.4
77.03919	1.0
78.04714	17.1
78.05165	0.9
79.05497	12.0
79.12335	0.4
81.03439	0.8
81.07039	1.6
86.45152	0.4
87.80449	0.4
91.05479	1.9
93.03427	0.8
93.07056	0.7
93.36806	0.4
94.04192	1.7
94.33583	0.4
95.04966	3.9
95.08569	0.8
96.05747	0.9
105.03394	1.4
105.04546	1.0
106.04178	7.8
107.04961	12.9
107.08570	0.9
109.02867	1.8
109.06516	0.9
111.08073	0.6
119.04932	0.4
120.02137	0.5
121.10185	0.9
122.03629	4.1
123.04436	27.5
123.57571	0.4
124.05241	8.9
125.06020	0.7
134.03644	1.6
135.04417	1.0
135.81960	0.4
137.02330	0.7
137.05968	1.6
139.07489	0.6
149.02312	1.1
150.03117	0.7
151.03918	5.9
152.04713	6.7
167.07045	100.0
168.04214	0.6
168.07401	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
51.02379	0.6
53.03949	2.1
55.05513	0.6
57.03433	0.4
57.07080	0.5
58.79749	0.4
60.53522	0.4
65.03943	0.7
65.13215	0.4
66.04718	0.9
66.55195	0.4
66.91965	0.3
67.05499	1.0
69.07067	0.6
69.26007	4.0
73.17011	0.4
75.32040	0.4
78.04279	0.8
78.04716	14.8
79.05499	12.5
81.03411	1.0
81.07070	2.2
83.04996	0.5
86.37916	0.4
91.05471	2.0
93.03397	0.5
93.07057	2.3
94.04189	1.6
95.04966	3.6
95.08600	0.6
96.05770	1.0
97.06524	0.7
105.03390	1.1
105.04548	1.0
105.07020	0.9
106.04184	7.5
107.04963	14.1
107.08587	2.0
109.02914	1.5
109.06558	0.9
111.08079	0.8
121.02935	0.7
121.06510	1.4
121.10160	2.0
122.03664	2.4
123.04439	25.9
124.05239	8.5
125.06022	1.0
134.03629	2.0
135.04442	2.0
137.02364	0.6
137.06050	0.9
139.03822	0.5
149.02342	1.0
149.06010	0.6
149.09669	0.6
151.03915	5.4
152.04701	6.1
167.07054	100.0
168.07402	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.03166	0.4
53.03948	2.7
55.05514	3.0
65.03929	0.9
66.04704	1.0
67.01842	0.4
67.05504	2.1
69.03425	0.9
69.07073	0.7
69.94685	0.4
70.06586	1.3
71.49013	0.8
77.03930	0.8
78.04719	14.2
79.05498	15.3
79.08868	0.3
81.03411	0.8
81.07057	4.0
83.04991	2.6
83.08616	1.1
91.05479	2.9
93.03424	0.7
93.07064	2.0
94.04176	2.5
95.04974	3.6
95.08601	1.8
96.05746	1.6
97.06516	0.9
97.10146	0.5
103.05524	0.4
105.03409	1.3
105.04538	1.0
105.07011	1.0
106.04186	6.7
107.04964	15.0
107.08597	4.2
109.02879	1.1
109.06513	1.6
109.10139	0.8
111.04425	0.8
111.08071	1.4
119.04922	0.4
121.01685	0.6
121.02863	1.6
121.05676	0.4
121.06509	1.3
121.10158	4.0
122.03663	3.3
123.04442	25.7
123.08070	3.2
123.11747	0.4
124.05228	9.2
125.05998	1.7
125.09658	0.8
131.08572	0.9
132.28249	0.4
134.03624	2.0
135.04451	1.1
137.02365	0.7
137.05995	2.2
139.03903	1.9
139.07584	0.6
139.11160	0.6
149.02397	1.8
149.04900	0.5
149.09628	2.3
150.03058	0.4
151.03906	4.6
152.04709	5.5
167.03360	1.7
167.07050	100.0
167.10672	2.1
167.14293	1.2
168.04187	0.6
168.07373	1.6
174.82242	0.5
177.07187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
52.34176	0.2
53.03919	0.2
58.73596	0.1
71.21976	0.2
71.22314	0.2
77.03880	0.2
79.05495	1.1
91.05475	0.8
93.07049	2.3
98.97579	0.2
102.63347	0.2
103.05469	11.0
107.04971	2.1
108.76350	0.2
118.06537	0.2
120.08105	100.0
121.08454	1.0
131.04930	1.9
149.05986	0.5
166.08638	1.2
172.67279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
50.81301	0.7
51.51910	0.9
53.03945	1.8
55.01861	1.3
55.05504	3.6
57.03428	2.7
57.07076	1.8
62.85447	0.8
65.03957	1.8
67.05512	10.3
67.89954	0.8
69.03422	2.9
69.07064	3.7
70.93887	1.3
71.08656	1.5
79.05492	8.7
81.07061	13.9
83.04993	2.6
83.08622	1.6
91.05492	21.9
93.07052	11.1
95.00853	0.8
95.04974	4.9
95.08624	11.9
96.88886	0.8
101.99280	0.8
103.05499	1.5
105.07052	13.8
107.04951	2.6
107.08598	9.4
109.06533	22.0
109.10165	9.7
117.07011	1.4
119.01939	2.1
119.04952	27.8
119.08597	16.5
120.05254	0.9
121.06525	1.5
121.10152	20.1
122.07304	9.4
123.04423	1.2
123.08070	9.1
123.11728	4.3
133.02870	2.6
133.06497	3.7
135.08040	3.0
137.06046	4.2
137.09631	100.0
137.13290	1.6
138.09946	1.9
142.03485	2.0
147.04427	50.1
147.08054	1.3
147.11707	6.6
148.04701	1.4
150.10451	4.1
162.21904	0.8
165.01878	1.3
165.05510	3.1
165.09126	4.0
165.12778	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	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
50.04894	1.1
51.02371	1.2
53.03937	3.7
55.01870	5.6
55.05519	9.5
56.93515	1.0
57.03439	8.5
57.07076	2.6
65.03928	2.8
67.05505	40.6
69.03439	8.7
69.07072	13.4
71.04980	3.5
71.39541	2.0
77.03914	2.0
79.05495	41.1
81.03426	1.6
81.07058	100.0
82.07393	1.2
83.04984	11.4
83.08591	1.7
83.93042	4.1
85.02947	1.0
85.06544	5.1
88.79235	1.0
91.05486	44.7
92.05880	1.2
93.07045	40.8
94.07399	1.1
95.04385	1.5
95.04973	21.9
95.08609	32.5
97.06528	11.2
99.08081	1.4
101.00896	12.9
101.02635	1.4
101.94063	1.8
102.20404	0.9
103.05470	2.2
105.04516	1.5
105.07034	60.7
107.04951	1.3
107.08596	27.7
108.08912	1.0
109.02901	1.4
109.06525	22.9
109.10165	7.3
115.42716	1.1
117.07006	2.6
119.01929	36.4
119.04939	12.5
119.08581	51.4
119.95122	1.6
120.08140	2.2
121.10145	46.9
122.03612	1.1
122.10386	1.2
123.04411	4.6
123.08080	16.4
123.11700	10.9
124.02431	3.5
133.02820	3.8
133.06511	1.2
137.02950	8.1
137.05966	5.8
137.09653	6.0
137.13266	2.1
142.03516	26.5
142.96698	12.5
143.03514	1.4
143.27359	1.1
145.10165	1.9
147.04419	22.9
147.08072	2.9
147.11690	78.9
148.12059	1.6
160.04607	5.2
165.01823	3.8
165.04169	1.1
165.05443	12.4
165.06963	5.0
165.09125	8.8
165.12759	96.8
165.98300	2.4
166.13130	1.2
177.96335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03945	1.7
55.01863	1.1
55.05521	6.4
57.03445	4.1
57.07065	3.8
59.04989	2.3
65.03931	3.2
67.05511	39.5
69.03426	6.5
69.06763	0.8
69.07076	8.0
69.82487	4.1
71.04983	1.7
75.36136	0.8
77.03925	2.0
79.05495	14.6
81.03410	2.5
81.07063	26.7
83.04970	6.0
83.08609	2.4
85.06541	1.0
91.05489	34.7
93.07054	9.2
95.04977	39.7
95.08617	26.3
103.05461	2.5
105.04587	0.9
105.07034	22.9
107.04960	6.1
107.08599	34.9
108.05729	1.2
109.05805	1.6
109.06524	23.9
109.10168	18.2
110.07280	2.9
117.07030	4.6
118.10668	0.9
119.01929	2.7
119.04124	1.6
119.04958	28.6
119.08588	47.1
120.05268	0.9
120.08908	1.5
121.06476	2.2
121.10172	9.0
122.07301	14.3
123.04419	2.5
123.08077	33.4
123.11710	23.8
129.07018	2.7
132.05714	4.1
133.02855	2.9
133.06517	5.0
136.08885	1.3
137.06027	7.3
137.09625	47.8
137.13263	3.5
138.09944	0.9
142.03481	2.2
147.04420	48.7
147.08058	18.7
147.11710	9.3
150.10347	0.9
165.05418	3.4
165.09128	100.0
165.12764	75.0
166.09488	1.8
166.13161	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03693	0.5
53.03953	2.2
55.01881	1.3
55.05505	1.7
57.07082	0.7
62.47517	0.6
65.03947	2.3
67.05181	1.1
67.05510	12.7
69.03455	1.2
69.07059	0.7
70.05098	2.6
74.76313	0.6
76.74055	0.6
79.05496	33.5
81.07059	100.0
82.56141	0.7
83.04971	0.7
91.05488	7.1
93.07060	4.0
95.04972	4.0
95.08610	15.2
96.70975	0.7
98.20921	1.0
101.00884	2.3
105.07042	11.7
107.08598	53.5
108.08912	1.3
109.06522	44.0
109.10110	0.9
119.01920	4.5
119.04939	2.5
119.08587	8.5
121.10131	2.6
123.08070	75.6
123.11700	6.3
124.02508	0.7
124.08400	1.2
127.07558	29.1
137.06042	1.3
137.09634	1.5
142.03513	3.6
142.96742	1.4
147.04433	6.0
147.11693	44.0
148.12048	0.9
165.01747	1.0
165.12758	88.9
166.13120	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	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
52.08948	1.0
53.03939	3.1
55.00084	1.1
55.01861	3.6
55.05515	8.2
57.03444	8.9
57.07066	3.2
64.16116	1.2
65.03941	2.1
67.05508	43.0
69.03436	7.3
69.07069	12.1
69.15395	1.1
70.25195	0.9
71.04982	3.2
71.50115	2.0
79.05498	44.2
81.03419	1.3
81.07059	99.7
81.83173	1.0
82.07379	1.0
83.04993	11.5
83.08613	3.4
83.93037	2.9
85.06535	6.0
91.05487	51.5
93.07051	42.0
95.04976	15.3
95.07996	1.5
95.08609	31.4
97.06536	10.4
99.08109	1.1
101.00890	8.5
103.05476	2.4
105.03189	1.1
105.07038	75.8
106.07319	1.3
107.08596	29.9
108.08894	1.2
109.06532	21.6
109.10147	7.6
117.07008	3.0
119.01933	20.4
119.04945	8.3
119.08587	63.0
120.08125	2.4
120.08971	1.7
120.91006	1.1
121.06499	1.2
121.10150	53.5
122.10521	1.5
123.04438	2.4
123.08090	14.9
123.11718	10.8
124.02510	1.5
127.07503	1.6
133.02884	2.3
135.11688	2.8
137.02969	3.4
137.05963	3.2
137.09660	5.0
137.13306	5.1
142.03506	17.0
142.96729	6.4
145.10126	1.7
147.04433	14.9
147.11696	91.4
148.12039	2.1
160.04607	1.4
165.01819	2.1
165.05463	4.7
165.07022	2.8
165.09132	7.3
165.12759	100.0
166.13095	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03956	2.3
55.01880	3.1
55.05512	8.0
55.70822	0.8
57.03453	4.9
57.07089	1.8
57.59564	0.7
65.03951	1.3
67.05506	41.4
69.03441	5.2
69.07066	7.7
70.61977	2.6
71.05016	1.8
74.05891	0.7
77.03914	0.7
79.05017	1.1
79.05105	0.5
79.05492	34.7
81.07057	77.3
82.99879	0.8
83.04984	8.4
83.08607	1.4
85.06534	5.3
91.05484	40.2
92.05807	0.8
93.07046	37.9
95.04977	7.0
95.08608	22.1
95.09181	1.4
97.06514	9.8
98.21442	0.9
99.08121	1.4
101.00861	1.0
102.68086	0.7
105.07034	70.1
106.07353	1.2
107.08598	23.9
107.09322	1.6
108.08945	1.1
109.06522	12.8
109.07265	0.8
109.10167	5.6
110.45382	0.9
117.06969	1.6
119.01880	1.2
119.04924	4.8
119.08584	53.8
120.08923	1.1
121.10149	61.0
122.10490	1.5
123.08080	9.4
123.11727	8.9
137.06036	0.9
137.09607	6.2
137.13255	2.1
142.03485	1.2
145.10129	1.7
147.04410	9.9
147.11690	100.0
148.12152	1.6
165.05554	0.8
165.09108	8.3
165.12753	93.2
166.13094	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	165.0913
Annotation	hinokitiol
Peak:m/z	Relative Intensity
50.35231	1.2
53.03944	2.3
55.01870	2.1
55.05521	5.6
57.03440	2.3
57.07064	3.8
59.04994	2.5
64.32572	0.9
65.03941	4.0
66.04703	1.1
67.05508	35.2
69.03429	5.8
69.07076	6.1
70.39896	2.1
70.40291	1.7
71.04982	1.2
79.05497	16.4
81.03415	3.2
81.07061	26.0
83.04980	4.9
83.08635	1.6
85.02914	1.2
85.06593	1.1
85.14491	0.9
89.90470	0.8
91.05485	46.7
92.05819	1.3
93.07048	7.4
95.04971	33.6
95.05577	1.9
95.08614	21.0
97.06530	1.0
98.20749	1.1
101.00892	2.2
103.05470	4.6
105.07037	22.4
107.04945	7.5
107.08596	22.6
109.06531	18.7
109.10164	19.7
110.07317	1.5
117.07022	3.5
119.01918	4.1
119.04951	48.3
119.08593	38.4
120.08096	1.1
120.08905	1.2
121.06496	3.6
121.10152	7.6
122.03619	1.1
122.07297	14.7
123.04443	4.5
123.08074	24.0
123.11704	15.0
124.02403	0.9
129.06972	1.6
132.05699	2.6
133.02872	4.0
133.06496	6.1
133.76773	0.8
135.08043	1.6
137.05011	1.4
137.05994	11.4
137.09627	47.3
137.13239	3.0
142.03535	2.4
147.04420	83.3
147.08061	14.6
147.11717	7.0
148.04808	1.1
165.01825	1.6
165.05508	6.1
165.09125	100.0
165.12759	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02366	0.6
54.73281	0.6
56.96556	1.2
69.40540	4.1
70.88339	0.6
82.01443	0.6
82.99853	13.3
100.02489	1.3
101.00890	77.1
102.00998	1.6
103.87167	0.7
110.23463	0.6
111.00457	1.0
112.14550	0.6
119.01930	100.0
120.02026	1.8
124.02460	15.9
134.71304	0.5
137.01985	1.0
137.02969	12.2
142.03508	78.2
143.03624	1.2
160.04578	10.2
165.05098	0.8
172.09758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03946	0.9
55.01882	0.8
55.05516	1.1
56.65640	0.3
57.03441	0.5
59.04976	0.4
65.03935	2.4
67.05503	2.4
69.03425	1.1
69.07065	1.5
79.05489	2.9
81.03410	0.7
81.07063	3.9
83.04995	0.4
91.05486	29.2
93.07058	1.9
94.04140	0.6
94.91093	0.3
95.04980	3.4
95.08622	3.3
97.06550	0.4
98.98398	0.3
101.00894	2.1
103.05485	0.6
105.03403	0.7
105.07041	4.6
107.04951	0.4
107.08595	3.3
109.02858	0.5
109.06524	2.2
109.10161	1.5
117.07013	0.4
119.01954	3.9
119.04951	54.3
119.08585	3.9
120.04494	0.4
120.05286	1.1
121.10158	1.4
122.03678	0.5
123.04447	2.4
123.08058	2.1
123.11695	1.6
124.02460	0.6
133.02864	1.3
133.06482	1.7
137.05028	0.5
137.05978	4.6
137.09627	2.1
137.13263	0.4
142.03517	3.8
147.04420	100.0
147.08029	1.6
147.11710	1.3
148.04749	1.5
148.40965	0.4
160.04662	0.5
165.01868	0.9
165.05537	2.9
165.06723	0.6
165.09102	2.3
165.12790	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.21757	0.5
51.02376	0.8
53.03948	4.4
53.07360	0.7
55.01883	3.9
55.05512	4.4
56.94697	0.6
57.03421	0.8
57.07076	1.1
65.03951	0.9
67.05489	2.4
69.03413	1.7
69.07074	16.3
70.75677	0.7
71.26272	0.7
71.50622	1.1
77.03924	1.1
79.05082	1.0
79.05502	15.7
81.03401	0.8
81.07062	12.4
83.08621	3.5
89.03935	0.9
91.05487	12.2
92.02666	1.0
93.07053	36.8
95.04973	4.8
95.08622	10.9
103.05490	5.4
105.03391	1.9
105.04523	1.9
105.07041	9.9
107.04990	3.1
107.08603	66.5
108.08904	0.9
109.06499	1.8
109.10147	1.1
115.05476	1.7
117.03380	0.9
117.05746	0.8
117.07039	5.9
119.06128	1.0
119.08598	15.4
121.06521	8.2
121.10153	34.2
130.06555	1.6
130.07790	2.4
131.04944	4.5
132.08131	1.2
133.02846	7.4
133.06496	3.6
133.07336	0.6
133.10110	1.6
134.10896	0.8
135.04416	11.0
135.08047	2.7
135.11697	12.5
145.02737	0.8
145.06493	1.1
145.10135	9.6
145.11206	1.1
147.08131	0.9
148.08850	3.1
161.09639	1.0
163.03928	29.8
163.07587	8.7
163.11192	100.0
163.14839	33.7
164.04213	1.1
164.11583	2.4
164.15250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.9
57.03448	1.4
57.84064	0.9
60.05853	0.8
60.16737	1.0
66.92391	0.8
67.57566	0.9
70.18185	3.2
70.69378	1.0
70.99849	2.0
72.18951	0.8
73.02937	0.9
73.08231	0.9
82.01456	1.7
82.99847	14.7
91.05469	3.4
95.04987	7.2
98.20896	1.1
100.02488	2.2
100.87514	0.9
101.00887	89.3
102.00983	1.8
103.05470	1.1
115.02435	1.2
119.01927	100.0
119.04913	5.0
120.02058	2.3
120.13842	1.0
123.04443	9.8
124.02470	15.5
127.29594	0.9
130.04758	1.0
137.02951	10.6
142.03505	82.7
142.15428	0.8
147.04408	3.7
160.04579	8.2
165.05217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.15325	0.4
51.02364	0.8
53.03951	4.7
55.01881	4.6
55.05515	2.6
57.07081	0.7
59.82131	0.4
62.89558	0.5
67.05496	1.4
69.03408	0.7
69.07072	6.9
69.61045	2.4
72.93803	0.7
77.03924	2.0
79.05497	10.7
81.03422	1.1
81.07066	4.8
82.22441	0.6
83.08622	1.1
84.08073	0.4
88.80357	0.4
89.03915	0.9
91.04980	0.7
91.05485	7.7
92.02641	1.1
93.07050	19.6
95.04974	5.0
95.08614	4.2
95.64795	0.5
98.21501	0.9
103.05458	3.6
105.03407	2.8
105.04504	2.9
105.06397	0.6
105.07036	6.6
106.06561	1.0
107.04955	2.5
107.08600	30.7
108.09319	0.4
113.96432	0.8
115.05464	0.6
117.03394	0.8
117.05736	0.6
117.07006	3.4
119.06095	0.5
119.08588	17.5
120.02080	0.5
120.08867	0.5
121.06518	6.4
121.10151	22.1
130.06525	1.9
130.07797	2.0
131.04950	3.4
132.08099	2.1
133.01880	0.6
133.02867	11.0
133.06500	3.8
133.10124	0.6
135.04427	12.5
135.08044	2.0
135.11708	5.8
145.02856	0.7
145.10124	8.5
147.08076	1.0
148.08853	2.5
163.03920	43.3
163.07576	4.5
163.11188	100.0
163.14833	13.4
164.04259	0.8
164.11530	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03948	5.1
55.01656	0.4
55.01871	3.7
55.05501	1.9
55.05732	0.4
62.44254	0.4
65.59203	0.4
66.62895	0.4
67.05489	1.2
69.03438	3.1
69.07076	7.2
70.85764	0.6
70.86086	0.6
71.11737	0.4
72.93790	0.6
77.03922	1.8
79.05077	0.6
79.05499	9.4
81.03419	1.5
81.07071	5.3
83.04989	0.7
83.08617	0.6
89.03913	1.4
91.05495	7.0
92.02624	2.1
93.06498	0.7
93.07054	13.4
95.04977	4.3
95.08626	4.4
103.05476	3.8
105.02725	0.8
105.03396	8.4
105.04464	2.3
105.07040	7.4
106.06543	0.8
107.04958	4.5
107.08598	27.3
108.08925	0.7
109.06538	0.9
113.96410	1.1
115.05474	0.9
117.03368	1.2
117.05766	0.5
117.07000	3.5
119.08591	6.7
121.02857	0.8
121.05683	0.9
121.06516	13.6
121.10147	11.8
129.06973	0.4
130.06549	2.0
130.07751	2.8
131.04938	2.9
132.08075	2.0
133.01880	0.5
133.02863	9.1
133.06450	3.1
133.10121	0.8
135.04431	11.7
135.08046	1.4
135.11710	5.4
143.08536	0.8
144.30273	0.4
145.02841	0.8
145.09079	0.9
145.10139	11.0
147.08026	0.9
148.08827	5.9
161.09648	0.9
163.03915	46.6
163.07544	3.0
163.11189	100.0
163.14827	12.2
164.04245	1.4
164.11555	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02383	0.6
53.00305	0.5
53.03954	3.3
55.01869	0.9
55.05511	1.2
58.31970	0.4
59.70484	0.4
62.01584	0.5
63.02383	1.3
65.03935	0.6
67.05507	0.7
69.03432	0.8
69.07074	1.8
70.11559	0.7
70.11917	1.6
77.03931	1.9
79.05500	12.0
81.03417	0.7
81.07069	2.8
89.03924	43.1
90.04254	0.6
91.05497	4.6
92.02634	0.5
93.07053	5.7
95.04984	3.5
95.08610	1.7
103.05474	91.2
104.05805	1.4
105.03410	1.0
105.04508	2.3
105.07055	3.4
106.06557	0.5
107.04967	14.1
107.08596	10.5
112.79867	0.4
115.05467	0.7
116.12611	0.4
117.03387	35.6
117.07033	1.7
119.08592	1.3
119.29427	0.5
120.05753	0.4
121.06530	1.4
121.10151	5.4
130.06538	1.5
130.07777	0.6
131.04938	100.0
132.05275	2.2
132.08070	2.1
133.02872	2.9
135.04424	58.6
135.08018	2.4
135.11685	2.5
136.04764	1.2
145.02864	24.8
145.03949	1.9
145.06436	0.7
145.10133	3.1
148.05159	0.5
148.08786	1.0
158.06058	0.6
163.03918	67.1
163.07555	30.3
163.11177	12.8
163.12338	1.1
163.14832	3.2
164.04288	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.04995	0.5
51.02383	1.1
53.03952	4.4
55.01879	3.9
55.05515	4.6
57.07061	1.2
64.92776	0.7
67.05494	2.7
69.03439	1.2
69.07072	19.1
71.50730	1.0
77.03907	2.0
79.05077	1.1
79.05502	16.9
81.07060	10.6
83.08632	3.2
89.03912	0.8
91.05481	11.8
92.02625	1.0
93.07049	37.5
95.04961	5.1
95.08615	11.5
103.05482	6.2
105.03405	2.0
105.04523	2.2
105.07034	11.5
107.04979	5.2
107.08601	68.8
109.06530	1.9
109.10136	1.1
115.05468	1.1
117.03403	1.6
117.05785	0.8
117.07023	5.6
119.06046	1.1
119.07848	0.6
119.08589	15.0
121.06523	10.2
121.10147	33.4
130.06534	1.4
130.07803	2.4
131.04948	5.5
132.08070	2.0
133.02856	6.9
133.06546	3.4
133.10066	1.4
135.04416	9.9
135.08107	3.1
135.11691	13.5
141.42137	0.6
145.02867	1.1
145.10121	11.3
147.08115	0.7
148.08861	3.7
157.21649	0.7
163.03915	31.4
163.07584	8.5
163.11191	100.0
163.14830	35.1
164.11525	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0756
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02378	1.0
53.00300	0.5
53.03945	3.5
55.01878	1.6
55.05494	0.6
57.03434	0.6
63.02379	1.4
67.05523	1.0
69.07076	0.7
69.95726	2.8
77.03944	1.9
79.05503	15.3
81.07086	0.8
89.03928	39.8
91.05490	8.6
93.07080	2.1
95.04987	3.2
98.94402	0.6
103.05480	57.8
104.05794	1.2
105.04532	2.2
105.07047	9.9
107.04967	100.0
107.08622	3.2
108.05326	1.0
115.05465	7.8
117.03392	36.1
117.07008	3.0
119.05002	1.1
119.08584	0.7
120.05742	7.3
121.06562	1.0
121.10152	1.4
130.06557	0.6
131.04944	54.2
132.05338	1.0
133.02892	1.1
133.06499	2.0
135.04433	53.8
135.08055	13.8
135.09019	1.1
135.11726	0.8
136.04803	0.9
145.02870	24.1
145.03928	1.4
145.06606	0.8
145.07544	3.2
145.10118	0.8
146.03217	0.8
148.05237	0.9
163.03926	51.7
163.07561	28.8
163.11185	6.3
163.12381	0.7
163.14813	0.9
164.04323	0.8
164.07959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03940	0.9
55.88234	0.3
69.43925	2.6
69.44318	0.8
75.85146	0.4
77.03953	0.7
79.05502	1.0
89.03923	4.9
91.05500	0.8
93.07050	0.5
95.04967	0.8
103.05473	82.0
104.05800	1.1
105.04513	0.7
105.07018	0.5
107.04967	2.4
107.08598	1.1
117.03381	4.4
131.04938	100.0
132.05231	1.7
135.04417	6.3
135.08014	0.7
145.02849	2.8
148.05171	0.8
153.13200	0.4
163.03928	7.1
163.07555	40.6
163.11208	1.1
164.07875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02394	0.6
51.65834	0.5
53.00287	0.5
53.03957	2.3
55.01867	1.3
55.05507	0.5
58.06806	0.4
61.67897	0.4
63.02375	1.0
65.03939	0.9
67.05509	0.7
69.03414	0.5
69.07069	0.9
69.90544	1.0
69.90957	1.5
72.68520	0.5
77.03939	1.5
79.05494	8.2
81.07074	0.8
84.70541	0.5
89.03923	27.1
89.84236	0.5
90.04240	0.5
91.05489	5.2
93.03401	0.5
93.07049	3.7
95.04976	2.5
95.08620	0.8
98.20818	0.6
103.05473	88.6
104.05778	1.2
105.03422	0.8
105.04527	1.1
105.07032	3.9
107.04962	22.4
107.08597	6.1
115.05463	2.0
117.03388	25.0
117.07043	1.8
118.03648	0.6
119.08568	1.3
120.05732	0.6
121.06559	1.1
121.10149	4.4
131.04938	100.0
132.02029	0.5
132.05278	1.8
132.08070	0.9
133.02827	1.2
135.04424	38.0
135.08038	5.0
135.11673	3.2
136.04779	1.0
145.01845	0.6
145.02861	15.6
145.03928	1.0
145.10123	2.2
148.05217	0.6
163.03917	34.2
163.07561	39.3
163.11182	5.3
163.12387	0.8
163.14847	1.4
164.04301	0.6
164.08006	0.5
181.76398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.11856	0.6
53.03953	2.5
55.01877	1.2
58.68603	0.6
60.59872	0.7
63.02379	1.8
65.99232	0.7
71.40684	0.9
71.41042	0.9
77.03944	2.7
79.05502	13.5
81.03436	1.0
89.03925	73.9
91.05495	2.6
93.07045	2.3
95.04994	3.4
95.08617	0.9
103.05475	61.0
104.05785	1.3
105.04524	1.5
105.07035	2.8
107.04965	28.2
107.08620	3.4
115.05457	2.4
117.03389	65.1
118.03728	1.3
120.05801	1.4
121.10171	1.3
131.04939	67.4
132.05255	1.3
133.02795	0.8
135.04427	100.0
135.08049	2.9
136.04774	2.3
145.02866	46.0
145.03934	3.0
145.10187	1.3
146.03223	1.2
154.96361	0.8
163.03918	88.5
163.07564	20.2
163.11156	4.4
163.14778	0.9
164.04175	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03939	2.4
55.81438	0.8
63.02359	1.7
63.27335	0.7
69.72886	4.4
77.03938	1.2
79.05498	12.1
79.83564	0.6
89.03925	80.5
92.77760	0.7
95.04977	1.8
97.52760	0.7
103.05475	4.3
107.04970	14.7
107.81326	0.8
117.03390	68.8
131.04927	3.4
132.08051	0.8
134.66586	0.7
135.04425	100.0
136.04764	1.3
145.02869	45.5
145.03947	2.5
162.95236	0.7
163.03918	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.05528	0.7
58.36082	0.6
61.04724	0.7
63.02381	2.5
68.24184	0.8
69.07079	1.0
69.92410	2.7
77.03947	1.4
79.05501	13.5
81.07040	1.5
89.03923	71.0
90.04267	1.4
91.05505	2.7
93.07041	4.0
95.04980	2.8
95.08617	1.5
98.21504	1.1
103.05473	30.9
105.07035	2.1
107.04961	17.4
107.08584	6.9
117.03388	60.0
117.06980	1.2
119.08582	1.1
121.06500	1.4
121.10159	3.1
131.04939	40.3
133.02884	1.3
135.04424	100.0
135.11714	1.6
136.04753	0.9
145.02864	44.6
145.03931	2.2
145.10103	1.4
163.03914	87.4
163.07550	16.0
163.11174	7.5
163.12367	0.8
163.14856	2.2
164.04218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.21764	0.8
53.03942	3.2
59.40458	0.7
63.02369	1.4
69.07063	1.1
70.54540	2.6
72.28682	0.7
77.03945	1.5
78.99921	0.8
79.05499	11.8
81.07053	1.0
89.03928	73.5
91.05474	3.0
93.07053	2.6
95.04974	3.3
95.08597	1.4
95.32916	0.8
103.04811	1.7
103.05481	29.8
105.04543	1.2
105.07030	1.4
107.04310	1.4
107.04970	17.1
107.08609	3.2
113.76347	0.7
115.05494	0.9
117.03393	64.4
117.06961	0.9
118.03701	1.2
121.06522	1.1
121.10143	1.2
131.04945	33.6
133.02818	0.8
135.04430	100.0
136.04782	1.8
136.61880	1.0
145.02870	41.7
145.03920	2.3
145.10117	1.6
146.03194	1.2
163.03925	80.6
163.07559	12.7
163.11191	2.2
163.14824	1.1
164.04295	1.9
166.78760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.90834	0.6
51.50443	0.6
53.03949	1.8
53.79517	0.6
55.01878	2.0
55.05517	11.4
58.69075	0.6
65.03950	0.7
67.05518	5.0
69.07076	11.7
71.06453	1.2
74.57294	0.7
79.05495	11.9
81.07059	14.5
83.08601	0.8
91.05486	26.3
91.06032	1.6
93.07043	13.0
93.07580	1.3
95.04952	1.1
95.08609	2.1
103.05480	6.3
104.06306	0.7
105.07035	97.7
106.07355	1.0
107.08607	5.5
115.05467	5.8
116.04933	0.7
117.07024	8.3
118.04159	4.2
118.06537	1.8
119.08586	100.0
119.95844	0.7
120.08898	0.7
121.06493	1.0
121.10143	2.8
121.45660	0.6
128.06238	2.6
131.04877	1.3
131.08577	9.0
132.05649	0.9
132.09366	1.8
133.06514	6.9
133.10138	51.6
134.05882	0.7
134.10449	0.9
143.06042	0.9
143.08571	3.1
145.10107	1.2
146.03641	3.1
146.07262	1.9
146.10936	3.7
159.11716	5.1
161.05978	17.6
161.09639	13.7
161.13263	78.8
162.13644	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03937	3.3
57.49327	0.7
63.02380	2.4
68.99805	0.8
69.94810	3.9
77.03942	1.1
79.05492	10.7
89.03922	79.4
91.05464	1.7
91.09660	0.8
95.04964	2.9
98.21505	1.1
100.19142	0.8
103.04811	1.5
103.05473	25.5
104.05840	0.9
105.04527	1.3
105.07037	1.3
105.15417	0.8
107.04964	18.0
107.08591	1.9
117.03385	68.6
118.03725	0.9
130.06593	0.8
131.04935	32.9
132.05165	0.9
133.02885	1.6
135.04419	100.0
136.04730	2.2
145.02859	44.1
145.03923	2.5
163.03912	89.0
163.07541	13.0
163.11154	1.0
164.04282	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02381	0.8
51.48577	0.4
53.03955	2.7
55.01877	4.5
55.05519	0.5
59.62485	0.3
61.02926	0.4
66.04725	1.0
69.07074	0.6
69.25524	3.5
77.03931	1.1
79.05499	19.9
81.07073	0.5
89.03930	0.7
90.04710	4.0
91.05486	5.2
92.02634	0.9
93.07072	0.5
95.04967	2.8
102.04730	0.7
103.05473	25.6
105.04547	1.4
105.07038	100.0
106.07372	1.3
107.04976	1.4
107.08537	0.4
115.05464	28.9
117.07032	0.5
118.04170	19.0
119.08585	5.2
122.16180	0.4
131.04933	5.2
131.08612	0.5
132.05724	1.5
133.06503	48.8
133.10115	4.4
134.06842	0.5
136.65399	0.3
143.04945	0.9
143.06027	5.7
146.03676	1.3
161.06003	10.7
161.07280	0.7
161.09645	3.1
161.13258	5.5
177.00893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.46787	0.5
53.03934	1.1
55.05518	5.5
67.05509	0.9
69.07071	7.6
71.49811	0.6
74.08154	0.5
79.05518	2.6
81.07051	3.8
91.05487	9.7
93.07051	2.4
95.08649	0.8
103.05468	1.2
104.06212	0.6
105.07038	35.4
107.08607	1.9
115.05486	0.9
117.07021	3.0
119.08589	100.0
120.08943	1.6
121.10125	1.1
131.08578	4.0
133.06488	0.6
133.10136	21.8
146.10950	2.7
159.11713	3.4
161.05980	0.6
161.09714	2.5
161.13269	60.7
162.05431	0.5
162.13667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.28060	0.8
53.03932	3.7
55.01859	2.3
55.05511	5.5
59.17948	0.8
67.05507	12.9
69.07072	5.4
70.75389	1.6
70.75729	0.9
72.50860	1.0
79.05500	19.1
81.07066	18.9
91.05486	46.4
93.07047	15.5
95.04954	1.6
95.08602	7.0
103.05468	6.3
105.07036	100.0
107.08584	3.8
115.05447	7.7
117.07001	7.7
118.04131	6.3
119.08588	96.8
121.43237	0.8
125.84747	0.8
128.06230	1.5
131.04921	1.9
131.08545	5.0
132.09314	2.0
133.06508	12.0
133.10139	54.3
134.10468	1.2
143.06053	1.3
143.08594	1.7
146.03673	5.5
146.07278	2.4
146.10896	1.4
159.11725	3.1
161.05994	19.9
161.09631	14.1
161.13264	84.6
162.13557	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.80299	0.3
51.87100	0.3
53.43538	0.3
65.03906	0.4
67.05489	1.2
69.26191	3.1
70.06580	0.6
75.49876	0.3
76.93352	1.4
79.05492	0.6
91.05485	4.7
98.20800	0.6
103.05486	0.4
105.07037	11.3
113.02362	0.8
115.05437	1.9
116.06254	1.0
117.06244	0.7
117.07024	10.1
117.95981	1.3
118.07354	0.5
119.08589	10.2
128.06216	1.5
128.23662	0.3
129.07014	12.7
130.07816	5.2
131.08575	27.4
132.08893	0.9
141.01805	1.5
142.07761	1.4
143.08562	2.3
144.09357	27.2
145.09708	0.9
157.10149	3.7
159.11699	100.0
160.12032	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	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50701	0.1
68.82681	0.2
71.07020	0.3
74.97035	0.1
82.99847	6.3
83.99912	0.2
98.97587	0.3
101.00888	52.6
101.95031	0.3
101.97206	0.2
102.00945	2.0
102.96887	0.2
103.00638	0.3
103.01316	0.2
111.00439	0.4
119.01928	100.0
120.01991	3.7
121.02390	0.4
124.02534	0.4
133.03365	0.2
136.48364	0.4
137.02965	15.1
138.03102	0.5
142.03467	0.9
143.02011	0.4
143.03645	1.6
144.03282	0.3
145.48894	0.3
161.02963	5.3
161.04189	0.6
179.04010	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
66.35030	0.3
67.05500	1.5
71.49981	0.7
76.93358	1.6
91.05482	6.4
103.05500	0.6
105.07030	12.9
108.70104	0.4
113.02372	0.9
113.92343	0.5
115.05430	2.4
115.24113	0.4
116.06232	2.0
116.87051	0.5
117.07014	11.2
117.95982	1.4
119.08576	9.8
128.06213	1.2
129.07016	12.2
130.07814	5.3
131.04945	1.0
131.08568	31.3
132.08908	0.5
141.01833	1.6
142.07756	1.8
143.08588	2.0
144.05710	2.5
144.09352	25.2
157.10165	2.4
159.08133	5.2
159.11696	100.0
160.12012	2.3
161.87651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03974	0.8
55.01880	0.7
55.05533	0.5
56.96569	14.3
57.03452	1.4
57.93563	1.1
59.93124	2.5
61.02942	1.2
67.05522	1.1
69.03448	2.0
69.07087	0.8
69.66062	1.3
69.66463	2.3
69.67495	0.5
70.06580	0.9
71.01369	2.2
71.05004	0.6
71.95270	3.0
73.02930	1.3
73.95705	2.3
75.04488	0.9
75.94638	0.7
76.93373	6.2
77.94172	0.8
81.03420	1.1
85.02930	2.5
91.05489	2.0
93.05824	1.0
94.94432	1.9
95.08624	0.9
95.95211	0.8
96.03369	0.9
97.02884	1.0
98.20856	1.2
98.97589	58.8
99.04449	0.9
99.08070	3.6
99.97928	2.3
101.00900	0.7
103.03943	1.1
103.05482	1.1
105.03941	0.7
105.07035	2.1
110.97642	0.9
113.02390	4.4
114.98337	0.8
115.05469	16.5
116.97247	2.2
116.98627	29.7
117.01878	0.7
117.03906	0.6
117.05769	16.2
117.07030	1.4
117.96009	7.2
117.97576	1.6
117.98941	1.2
118.06565	3.2
118.96784	8.4
119.01923	1.6
123.03804	0.6
127.00271	1.6
128.98547	0.6
129.06952	0.9
130.06532	28.6
131.04935	2.2
131.06874	1.0
131.08583	2.1
132.08099	100.0
133.08463	1.1
134.99669	11.9
135.95656	1.4
135.97023	2.2
136.00067	0.9
136.95389	0.9
140.00180	0.6
140.04993	0.8
141.01833	12.2
142.06528	25.2
143.00168	0.7
143.07291	0.6
144.09415	0.6
148.69601	0.7
148.97723	0.7
150.95724	0.8
153.00723	1.2
153.96635	3.2
154.96487	3.1
157.16599	0.5
158.08395	1.9
158.97433	0.7
158.99661	1.4
159.09178	83.9
159.11723	2.9
160.07593	13.6
160.09558	2.0
173.04874	2.8
173.84576	0.6
177.00713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
54.98636	0.5
55.01887	0.2
55.05511	1.3
56.96568	20.3
57.03444	0.5
57.93576	0.4
59.93108	0.5
60.95862	0.3
67.05493	0.3
68.50199	0.2
69.03431	1.0
69.57781	0.1
70.06599	0.2
70.61665	0.3
70.62032	0.3
70.98112	0.5
71.01350	0.2
71.04990	0.3
71.06911	0.3
71.95269	5.2
72.96065	0.2
73.02911	0.5
73.06564	0.5
73.95687	0.3
74.97601	0.2
76.93358	0.8
81.03429	0.5
81.07041	0.3
84.08129	0.2
84.96045	0.5
85.02905	0.7
87.01865	0.2
89.00760	0.3
97.02879	0.9
98.97588	100.0
99.04437	0.4
99.97925	3.9
101.00883	1.1
102.53122	1.2
102.97050	0.2
104.01295	0.3
109.02860	0.3
110.01320	0.2
110.97582	0.5
111.53633	0.7
112.07622	1.3
112.99140	0.2
113.00819	0.2
113.02410	0.5
115.02455	0.2
116.98624	43.9
117.95978	0.7
117.97658	0.2
117.98941	1.7
118.01007	0.2
118.96763	1.5
119.01918	1.3
121.01623	0.2
127.00271	1.0
128.98602	0.4
129.03964	0.4
130.08641	0.8
131.00194	0.2
131.01942	0.3
131.05617	0.8
132.05644	0.3
133.01588	0.3
134.99663	11.1
135.95627	0.2
136.00034	0.4
136.95413	0.3
137.02960	0.2
140.00200	0.9
140.98579	0.3
141.00790	0.2
141.01828	1.4
141.05513	0.3
142.03506	0.4
143.01900	1.2
145.01627	0.4
147.05772	0.8
147.55902	0.2
149.06616	0.8
153.00656	0.8
153.96678	0.6
154.59077	0.3
156.03261	0.4
158.01251	0.5
158.99643	0.7
159.09122	0.3
161.02946	0.6
169.03563	0.2
173.06628	0.3
177.00661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.8
55.05510	0.4
55.93535	0.6
56.05048	1.1
56.94308	0.5
56.96565	2.6
57.03437	2.2
58.99881	0.9
61.02931	0.7
65.52215	0.2
67.01881	0.6
67.05516	0.3
68.05029	1.1
68.99802	0.3
69.03435	1.1
69.52454	0.3
70.95869	7.4
70.99860	1.2
71.01349	0.3
71.48498	0.4
72.04504	0.2
72.93795	6.4
73.02922	1.9
74.02931	0.2
74.09716	0.4
75.01059	0.3
76.77680	0.2
77.00918	0.5
78.52967	3.2
79.03060	0.4
81.03429	0.5
81.04566	0.7
82.01456	3.3
82.05326	2.8
82.06585	0.5
82.99846	1.3
83.00814	0.3
83.01459	0.4
83.05041	0.5
83.06110	11.0
84.01589	0.4
84.37811	0.2
84.38420	0.2
84.99277	0.8
85.01420	0.7
85.02908	1.2
86.06077	0.8
86.52715	0.7
87.00835	0.4
87.53500	0.4
88.96912	1.3
88.97403	0.2
89.00867	0.4
90.94832	1.6
91.02420	0.3
92.52689	1.7
93.02756	0.5
93.04533	8.1
95.01338	1.9
95.05000	0.5
95.06097	7.9
96.04522	0.5
97.01428	0.3
97.02859	0.4
98.97594	0.6
100.02489	7.2
101.00887	15.0
101.02502	1.2
102.00977	0.5
102.02277	0.4
103.02452	2.0
105.02057	0.4
105.51669	0.2
109.02853	0.4
110.07172	100.0
111.00830	0.3
111.02918	0.3
111.04446	0.3
111.05566	0.9
111.07516	0.6
111.33054	0.3
111.98473	2.6
113.00892	1.1
113.02361	0.4
113.53218	0.3
113.96407	0.7
114.00994	1.0
114.04040	1.3
115.00622	1.0
115.01359	0.6
115.02442	3.3
115.04065	0.3
116.02486	0.3
116.98617	0.4
117.01873	1.0
118.01167	0.3
118.03530	2.5
119.01929	40.5
120.02003	1.3
121.01643	0.4
121.03465	1.0
124.02450	2.2
126.98691	0.3
128.07159	0.3
128.08183	0.6
129.01813	0.3
129.03979	0.3
129.99525	1.0
130.06305	0.4
131.00148	0.3
131.01903	2.6
132.02007	3.3
132.05058	2.0
132.95837	10.3
133.01666	4.2
133.03473	10.7
133.05077	0.5
133.96001	0.3
134.03581	0.4
137.02966	8.9
138.03040	0.3
138.04010	0.5
138.05499	0.6
138.06621	0.3
142.03510	18.1
143.01993	0.3
143.03644	0.5
145.03488	0.5
147.04990	0.3
149.01132	0.4
150.03098	0.4
150.06105	0.3
150.96904	12.6
151.02689	0.4
151.04536	2.8
154.03488	0.4
155.97391	0.9
156.02071	0.4
156.03154	0.5
156.04170	0.8
156.05072	1.4
156.06581	0.5
156.07684	8.3
156.10191	0.7
157.01357	0.9
157.03487	0.5
159.01447	0.3
160.04558	3.4
161.02956	0.3
165.05025	0.4
168.01378	0.6
168.99957	0.3
173.98489	0.8
174.03052	0.4
174.06105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.93509	0.6
56.96565	7.9
57.03442	4.5
58.99864	3.5
60.01400	0.6
61.02922	0.6
67.00340	0.6
68.98284	0.9
68.99769	0.5
69.03427	2.1
69.61887	1.3
69.62293	2.5
69.96172	1.8
70.95850	0.9
70.98109	1.5
70.99873	3.8
71.00195	0.7
71.01334	0.6
71.04967	0.6
71.94092	0.7
72.93783	3.0
73.02905	2.4
77.00903	1.0
78.52941	1.2
81.03413	2.5
82.01450	10.4
82.99848	6.2
83.00777	0.6
83.04974	0.9
83.06099	0.8
84.01563	1.0
85.01407	2.8
85.02901	2.1
86.03697	1.2
86.99298	0.7
88.02686	0.9
89.00874	1.9
91.52760	0.5
92.52695	1.0
93.02051	1.1
93.04488	0.8
94.02637	0.6
94.99825	3.5
95.01357	0.6
95.03419	0.6
95.05001	0.8
95.06094	1.6
97.01384	0.5
97.02848	1.2
98.97587	3.2
100.00102	1.9
100.02481	13.9
101.00881	39.0
101.03439	1.4
102.00961	0.9
102.02356	1.2
103.00571	0.9
103.02456	3.6
103.03059	0.8
104.01275	0.7
105.00339	0.7
109.02908	1.6
110.01290	0.8
110.03954	1.2
110.07175	10.1
110.97567	1.1
111.00500	0.5
111.02950	0.7
111.04461	0.9
113.00872	43.7
113.53196	0.9
113.95042	0.7
113.96402	2.1
114.00957	3.7
114.04007	3.0
115.00624	0.8
115.02406	3.3
116.98618	0.7
118.01150	1.7
118.03532	4.0
119.01926	57.4
120.02053	1.4
121.01637	0.8
122.53691	1.0
124.02456	2.1
127.03922	1.2
128.98553	1.3
129.03981	1.5
130.06296	0.6
131.01912	100.0
131.96150	5.4
132.01964	9.3
132.05083	3.8
132.95830	2.2
133.01640	1.0
133.03467	9.9
137.00847	0.7
137.02997	6.4
141.02693	0.8
142.03511	16.3
143.01901	1.0
145.03415	2.7
147.05002	3.6
148.05084	0.8
149.01213	1.3
149.01753	0.6
149.02975	10.0
149.97214	2.4
150.03137	1.1
150.06122	1.2
150.96936	1.8
151.04562	1.6
154.03543	1.8
155.01897	12.9
155.03638	1.2
155.06886	0.6
155.08136	0.7
155.11801	0.5
156.04147	1.4
160.04518	2.8
161.02934	0.9
171.05020	0.6
173.01466	0.8
173.02963	11.9
173.04370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02392	3.1
53.03936	6.0
55.05522	19.0
57.07068	1.9
59.04988	9.0
65.03925	8.4
67.05504	10.1
68.99773	2.1
69.03421	5.4
69.07079	12.6
70.64441	4.6
70.94242	7.3
70.95869	2.2
71.04998	37.7
73.06554	27.9
79.01861	33.2
79.05501	35.0
81.07060	100.0
81.07539	4.9
83.04968	7.3
83.08625	3.3
91.05490	15.1
93.03393	9.3
93.07051	49.6
94.07306	2.1
95.04969	20.3
95.08603	8.8
97.02888	8.6
97.06537	10.2
105.07022	3.7
107.01329	11.2
107.04982	10.4
107.08602	50.9
109.06512	3.4
109.10145	10.2
110.03661	2.2
111.04424	8.3
111.08057	8.8
111.96893	4.4
122.14828	2.4
123.00784	2.8
123.86820	2.0
125.02341	11.2
125.05980	5.9
130.96317	2.2
135.08104	3.4
135.11705	31.8
138.03133	3.7
143.03400	20.6
153.01817	72.9
153.02974	26.3
153.05438	10.3
153.09096	4.4
153.12733	14.9
154.02213	2.2
154.08644	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02393	1.9
53.00299	2.8
53.03931	3.3
55.01866	1.9
55.05510	19.0
57.15471	1.6
59.05010	8.9
65.03948	9.4
67.05505	6.3
69.03423	3.7
69.07076	9.9
69.78573	8.3
70.94263	7.0
70.94625	1.7
71.05000	37.7
73.06182	2.8
73.06561	25.5
79.01859	25.8
79.05497	34.2
81.07063	100.0
83.04982	5.2
90.66808	2.0
91.05488	12.4
93.03397	10.7
93.07048	48.6
95.04966	4.5
95.08634	9.8
97.02888	4.6
97.06535	13.0
105.04559	2.1
105.07036	3.6
107.01316	4.8
107.08600	42.6
109.06541	3.1
109.10165	8.4
110.03676	1.9
111.04448	5.8
111.08081	6.5
111.96880	4.1
117.07043	1.7
119.08572	1.7
121.02838	1.8
121.06496	3.6
125.02361	7.2
125.05993	6.5
135.11703	24.9
143.03410	18.6
153.01834	54.1
153.02985	18.7
153.05493	5.3
153.09149	3.1
153.12730	16.1
168.91164	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.84958	1.2
51.02375	5.6
53.03951	2.0
55.01872	2.8
55.05523	10.1
57.03423	3.7
57.07076	3.3
59.04994	5.1
61.27543	1.4
65.03947	8.2
67.05514	19.1
67.51658	1.2
69.03432	6.6
69.07081	16.3
69.22034	12.8
70.94249	4.2
70.95874	1.2
71.04999	8.1
73.06556	4.5
79.01414	2.2
79.01862	38.5
79.05506	17.0
81.07068	29.5
83.04994	13.1
83.08615	4.5
89.41125	1.2
91.05500	10.7
93.03416	8.4
93.07056	77.3
95.04975	3.2
95.08618	54.0
97.02933	7.4
97.06542	35.4
104.12351	1.3
105.07021	4.6
106.29151	1.3
107.01330	10.6
107.04926	1.6
107.08608	100.0
109.06525	1.9
109.10169	32.9
110.03667	2.3
111.04439	7.5
111.08094	6.4
111.91856	1.2
111.96848	2.5
119.06046	1.4
123.00762	2.2
125.02369	13.0
125.05991	5.2
125.09684	1.2
135.08057	1.6
135.11708	46.4
138.03137	1.7
143.03412	23.4
153.01830	71.7
153.02977	19.8
153.05444	5.4
153.11644	1.3
153.12758	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03939	1.7
55.01888	1.3
55.05512	8.3
57.03424	3.4
57.07075	1.7
59.04998	4.0
65.03925	1.6
67.05509	15.5
68.97485	0.8
69.03436	2.9
69.07076	13.9
69.39552	3.9
69.39977	3.4
71.05004	4.1
73.73318	0.8
75.23736	0.8
79.01862	1.6
79.05084	1.0
79.05500	13.2
79.05932	1.6
80.08778	0.8
81.07059	17.6
83.04985	11.3
83.08621	3.4
84.16974	0.9
89.83749	1.0
91.05479	9.4
93.03412	1.4
93.07051	72.3
95.04955	1.2
95.08617	58.8
97.06536	22.3
103.27008	1.1
105.04447	0.9
105.07028	2.4
107.08604	100.0
108.08977	1.5
109.06487	1.4
109.10165	23.3
111.04472	1.5
111.08108	2.9
111.11694	1.3
120.60674	0.8
127.09777	0.9
130.59030	0.9
135.11700	45.9
139.86674	1.2
143.03366	1.4
153.01891	4.6
153.02893	0.8
153.12758	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02370	2.1
51.65953	1.0
53.03946	2.2
55.01864	1.5
55.05513	8.4
57.03428	3.6
57.07077	2.2
59.05001	3.6
65.03944	4.8
67.05509	15.3
69.03428	2.0
69.07069	16.0
69.46201	6.7
70.94261	3.5
71.05015	5.2
79.01857	15.1
79.05492	14.4
81.07060	20.2
81.24187	1.0
83.04984	9.7
83.08628	4.0
91.05482	11.3
93.03438	5.4
93.07049	70.3
95.04974	10.7
95.08614	56.9
97.02897	3.0
97.06537	25.0
105.07027	3.4
107.01323	3.0
107.04900	1.1
107.08600	100.0
108.08907	1.5
109.06541	4.6
109.10165	25.9
110.03704	1.1
111.04438	4.1
111.08080	4.4
111.96888	2.5
115.35391	1.0
121.02886	4.4
121.06533	1.3
125.02367	6.0
125.05992	3.6
125.09676	1.0
135.08075	2.2
135.11700	45.7
136.12007	1.6
138.06734	1.2
143.03394	9.6
153.01839	32.1
153.02962	9.2
153.05490	3.7
153.09138	1.9
153.12755	29.9
153.13988	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.62847	1.6
51.02378	1.8
53.00304	1.9
53.03943	5.1
53.59193	1.8
55.05516	16.7
57.07063	7.1
59.04993	7.4
65.03937	5.6
67.05493	7.2
69.07077	13.0
69.78817	2.9
69.79242	6.9
71.04607	2.1
71.04996	35.5
73.06563	24.8
79.01850	6.5
79.05497	28.9
81.07060	100.0
81.90002	1.7
82.07384	2.0
82.74683	1.9
83.04984	3.1
91.05478	10.6
93.03376	3.1
93.06488	3.0
93.07050	45.0
94.52452	2.0
95.04973	32.1
95.08591	8.0
97.02896	2.1
97.06551	18.4
98.20828	2.9
102.73200	1.9
105.07036	3.2
107.08594	37.2
109.06519	4.9
109.10150	10.5
111.04449	3.1
111.08109	9.0
125.02423	2.7
135.08058	3.1
135.11696	25.2
143.03416	3.4
153.01866	16.8
153.02954	2.7
153.05428	2.8
153.09077	2.7
153.12746	12.7
154.08646	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03945	5.0
55.05520	14.2
57.07058	2.5
59.05006	8.9
65.03947	5.7
67.05507	7.0
69.07077	12.6
69.55487	5.1
69.55899	9.4
71.05003	36.9
73.06563	27.7
79.01865	7.8
79.05500	27.9
81.07065	100.0
83.08645	2.8
83.63598	2.2
91.05505	11.0
93.03416	3.0
93.07047	40.7
95.04993	9.0
95.08633	9.8
97.06529	11.3
101.82036	2.1
107.04963	3.1
107.08614	38.7
109.10181	10.0
111.04564	2.5
111.08076	6.6
117.45218	2.2
125.02354	2.8
125.05961	3.0
135.11694	25.8
143.03448	3.3
146.22775	2.4
147.55421	2.5
153.01843	17.4
153.02925	4.3
153.12758	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03940	4.0
53.64266	1.7
54.71173	1.7
54.90464	1.3
55.05519	15.6
57.03432	2.0
57.07072	1.7
59.05005	9.4
65.03934	2.9
67.05505	9.3
69.03434	2.6
69.07075	12.5
70.26282	5.2
70.94275	3.0
71.04998	36.3
73.06570	20.2
79.01856	4.2
79.05506	24.7
81.07066	100.0
83.08611	2.3
88.74387	1.7
91.05483	11.1
93.03414	1.8
93.07055	48.6
95.04975	4.1
95.08598	9.6
97.06536	12.0
105.07079	2.5
107.04961	3.3
107.08609	43.5
109.06528	2.2
109.10168	11.7
111.08089	6.4
121.02881	4.6
124.24282	1.5
125.06035	1.6
130.99167	1.4
135.11700	26.1
141.17918	1.3
143.03426	3.7
153.01845	9.8
153.02980	3.4
153.12769	15.5
172.68376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02370	6.0
53.03942	5.1
55.01861	4.4
55.05517	13.3
57.03432	2.5
57.07070	2.4
58.80171	1.4
59.04993	2.5
65.03952	14.2
67.01904	1.3
67.05245	1.2
67.05511	13.4
68.85014	1.3
68.99796	1.8
69.03436	32.5
69.07074	12.6
69.20975	13.5
69.21371	3.1
70.94263	11.1
70.95865	2.8
71.05000	13.3
73.06561	7.9
76.13967	1.5
79.01422	3.0
79.01862	54.3
79.05492	25.7
81.07059	47.2
83.04975	9.4
83.08619	4.4
91.05476	15.9
93.03406	11.1
93.07051	73.6
95.01332	3.4
95.04970	5.4
95.07991	2.8
95.08610	46.6
97.02900	9.8
97.06541	14.3
98.20757	3.0
105.07019	4.9
105.60783	1.7
107.01328	12.0
107.04960	8.0
107.08602	97.8
108.08897	1.5
109.06499	4.3
109.10162	13.7
110.03660	4.2
111.04445	10.2
111.08071	6.5
111.96863	5.1
119.08556	1.6
121.06484	3.9
123.00829	2.7
125.02356	43.5
125.05966	7.5
125.09628	2.8
129.97894	3.2
135.04367	1.7
135.08049	3.6
135.11705	37.2
138.03114	3.5
143.03412	28.3
148.97360	1.8
153.01820	100.0
153.02966	33.0
153.05476	10.2
153.09093	10.7
153.12744	19.9
154.02208	2.1
154.06168	1.7
154.12221	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.7
51.02381	5.1
51.08887	1.0
53.03936	2.1
55.01875	21.1
55.05315	0.8
55.05517	9.2
57.03436	4.8
59.05005	19.0
65.03938	10.9
65.84218	0.8
67.05508	13.3
68.96336	1.1
68.99787	3.0
69.03429	13.4
69.07074	8.1
69.34168	6.9
70.94270	11.2
70.95856	3.6
71.04990	3.7
73.06580	1.9
76.95640	0.9
79.01857	46.7
79.05495	32.8
81.03419	1.1
81.07059	17.1
83.04984	12.8
83.08602	2.5
85.02908	1.1
87.00826	1.6
87.52493	0.8
88.95290	1.2
91.05483	26.0
93.03403	7.4
93.07045	23.7
95.04964	12.1
95.08611	9.0
97.02892	7.8
97.06526	7.8
97.10163	0.9
98.21519	1.2
105.04539	1.1
105.07037	16.3
107.01309	10.7
107.04964	7.7
107.08596	64.0
108.08931	0.9
109.06510	11.7
109.10135	4.0
110.03661	3.0
111.04449	18.4
111.08088	20.7
111.96861	6.0
112.93607	0.8
115.05468	3.3
117.07032	6.2
119.06053	3.0
121.02880	4.3
121.06556	1.5
123.00756	1.8
123.08067	16.1
123.46806	0.9
124.08865	1.6
125.02348	15.1
125.06013	5.0
125.09638	23.5
125.10561	1.2
129.97928	2.4
130.96304	1.8
133.07639	1.7
135.04472	1.2
135.08052	44.0
135.11664	5.7
138.03130	2.9
143.03397	28.2
148.97371	2.1
153.01831	100.0
153.02966	28.4
153.05420	8.6
153.09117	24.6
153.10355	1.6
153.12706	7.2
153.38892	0.8
154.02142	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.7
51.02381	5.1
51.08887	1.0
53.03936	2.1
55.01875	21.1
55.05315	0.8
55.05517	9.2
57.03436	4.8
59.05005	19.0
65.03938	10.9
65.84218	0.8
67.05508	13.3
68.96336	1.1
68.99787	3.0
69.03429	13.4
69.07074	8.1
69.34168	6.9
70.94270	11.2
70.95856	3.6
71.04990	3.7
73.06580	1.9
76.95640	0.9
79.01857	46.7
79.05495	32.8
81.03419	1.1
81.07059	17.1
83.04984	12.8
83.08602	2.5
85.02908	1.1
87.00826	1.6
87.52493	0.8
88.95290	1.2
91.05483	26.0
93.03403	7.4
93.07045	23.7
95.04964	12.1
95.08611	9.0
97.02892	7.8
97.06526	7.8
97.10163	0.9
98.21519	1.2
105.04539	1.1
105.07037	16.3
107.01309	10.7
107.04964	7.7
107.08596	64.0
108.08931	0.9
109.06510	11.7
109.10135	4.0
110.03661	3.0
111.04449	18.4
111.08088	20.7
111.96861	6.0
112.93607	0.8
115.05468	3.3
117.07032	6.2
119.06053	3.0
121.02880	4.3
121.06556	1.5
123.00756	1.8
123.08067	16.1
123.46806	0.9
124.08865	1.6
125.02348	15.1
125.06013	5.0
125.09638	23.5
125.10561	1.2
129.97928	2.4
130.96304	1.8
133.07639	1.7
135.04472	1.2
135.08052	44.0
135.11664	5.7
138.03130	2.9
143.03397	28.2
148.97371	2.1
153.01831	100.0
153.02966	28.4
153.05420	8.6
153.09117	24.6
153.10355	1.6
153.12706	7.2
153.38892	0.8
154.02142	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0912
Annotation	3,5-Dimethoxytoluene
Peak:m/z	Relative Intensity
50.01594	1.8
50.36055	1.1
51.02370	5.0
53.03959	8.1
55.01878	6.8
55.05505	4.6
57.03429	2.8
57.07080	1.2
59.05012	1.5
65.03945	28.5
67.01865	1.9
67.05510	11.0
68.99792	2.4
69.03435	6.2
69.07071	6.0
70.94264	15.0
70.95859	4.0
71.04993	2.7
71.49791	1.8
71.50166	1.5
71.67932	1.0
75.04488	47.2
77.03939	1.5
78.04707	4.1
78.95734	1.2
79.01416	2.1
79.01859	27.1
79.05501	19.3
81.03418	5.5
81.07066	9.4
81.31620	1.1
82.04193	5.0
83.04976	6.0
83.08620	2.0
87.59366	1.2
88.95282	2.1
91.05492	52.2
93.03422	16.7
93.07050	20.8
95.01308	1.7
95.04973	29.3
95.08635	6.3
96.05772	5.7
97.02897	7.1
97.06538	10.9
103.05466	2.7
105.03381	1.8
105.04521	5.3
105.07038	1.9
106.04186	7.0
107.01321	8.0
107.04978	7.7
107.08606	15.5
108.02111	1.7
108.05771	6.4
108.06384	1.1
109.02833	1.3
109.06522	12.4
109.10149	5.5
110.03682	9.0
110.07346	7.0
111.04458	23.2
111.08079	5.9
111.96877	8.9
111.98501	1.1
121.02883	1.5
121.06516	100.0
122.07334	8.2
123.00753	1.6
123.04439	7.0
123.08060	8.8
125.02354	7.8
125.06008	15.6
125.09653	1.9
129.97919	3.7
135.04427	1.8
135.08058	6.2
135.11687	5.2
137.05998	3.2
138.03145	8.9
138.06775	31.2
141.34105	1.1
143.03406	14.8
153.01836	58.4
153.02974	17.0
153.04391	2.8
153.05525	19.5
153.07010	4.2
153.09119	90.2
153.12674	7.6
154.07773	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.2
50.25854	0.3
51.02385	5.3
51.13018	0.3
53.00312	0.7
55.01869	1.2
55.05504	0.8
58.53526	0.3
63.23938	0.4
65.03938	1.6
67.05495	0.6
69.03436	1.7
69.07056	0.9
69.91599	0.9
69.91993	0.8
70.94261	0.8
71.05008	0.9
73.06553	0.8
79.01862	49.2
79.05495	1.1
80.02219	0.6
81.07066	3.3
82.05918	0.3
83.04985	0.4
87.00846	1.0
91.05484	0.7
93.03421	1.3
93.07042	2.3
95.04942	0.6
95.08613	1.3
97.02315	0.3
97.02899	8.2
97.06548	1.0
107.01330	10.9
107.08591	2.2
109.10149	1.1
111.04448	1.9
111.96909	0.5
116.50232	0.3
123.00803	1.7
125.02365	16.1
125.03294	0.8
125.05998	1.0
134.52345	0.3
135.11725	1.3
143.03409	30.8
149.95779	0.3
153.01862	100.0
153.02995	31.7
153.12764	1.1
154.02251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	(R)-Mandelate
Peak:m/z	Relative Intensity
51.02380	0.7
53.03952	1.1
55.01870	0.7
55.05494	0.2
56.96555	0.4
59.05000	0.2
65.03943	2.5
67.05494	0.6
68.96330	0.8
69.03420	0.8
69.07057	0.5
70.64245	0.3
70.94254	1.8
70.95862	0.9
73.02395	0.2
77.03948	0.3
79.01859	4.6
79.05492	2.9
81.03419	0.3
81.07060	0.4
83.04983	0.6
86.07482	0.2
88.95302	0.3
88.96885	0.2
91.05480	0.5
93.03406	2.8
93.07068	1.0
95.04974	5.1
95.08623	0.4
97.02912	1.3
97.06541	0.8
98.97597	0.2
105.04533	0.8
107.01325	1.6
107.04961	100.0
107.08590	1.2
108.05280	1.6
109.06535	0.4
109.10149	0.7
109.98941	0.3
110.03674	0.6
111.04450	3.5
111.08095	0.2
111.96893	0.3
122.59678	0.2
124.18489	0.2
125.02351	2.6
125.06006	1.9
130.96338	1.4
135.04422	27.7
135.08006	0.4
135.11681	0.4
136.04764	0.4
139.64861	0.2
143.03412	2.1
148.97354	1.3
153.01852	11.0
153.02974	1.9
153.05461	2.5
153.09135	0.7
153.12733	0.5
154.02179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0912
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
50.01603	1.3
51.02382	7.3
53.03941	2.1
55.01632	1.9
55.01880	26.2
55.05520	11.1
57.03439	4.8
57.07066	1.3
57.97638	1.1
59.05008	22.7
61.20109	1.2
65.03947	16.1
66.03067	1.1
67.05179	1.8
67.05513	17.9
68.99799	3.9
69.02753	1.1
69.03098	1.5
69.03440	18.6
69.07078	10.4
70.94259	8.0
70.95872	2.2
71.05010	5.9
71.49349	1.3
73.06558	1.8
76.82213	1.1
79.01865	55.8
79.05502	51.4
79.05839	0.8
79.05977	1.5
81.07066	25.4
82.04184	1.4
82.23338	1.1
83.04993	16.3
83.08632	3.3
86.37544	1.3
87.00851	1.4
91.05494	35.1
92.05759	1.2
93.03421	9.6
93.07056	37.0
94.07397	1.3
95.04983	14.0
95.08614	17.2
97.02895	13.0
97.06559	9.1
97.10165	1.5
105.07050	19.9
107.01322	11.4
107.04971	12.0
107.08609	91.0
108.05758	2.7
108.08936	2.1
109.06531	14.3
109.10149	6.6
110.03651	2.9
111.04455	25.6
111.08092	26.3
111.96878	4.5
115.05482	3.7
117.07031	7.1
119.06065	5.3
121.02856	2.1
121.06464	1.7
123.00826	1.9
123.08076	24.4
125.02369	16.4
125.06030	8.9
125.09646	31.4
130.96356	1.6
133.07614	2.5
135.04501	1.4
135.08069	56.2
135.11719	10.1
136.08415	1.4
138.03120	3.1
138.06790	1.7
143.03403	36.3
153.01840	100.0
153.02980	33.5
153.05482	8.3
153.09117	33.0
153.12759	7.9
154.02202	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	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	1.8
51.02379	5.4
53.00302	0.4
53.03947	0.5
55.01873	1.7
55.05510	2.0
57.03445	0.7
57.07072	0.4
59.05000	1.4
59.33033	0.2
65.03944	2.4
67.05506	2.7
68.70302	0.2
68.99796	0.7
69.03436	3.1
69.07073	3.0
69.60263	1.1
70.94266	1.4
70.95860	0.3
71.05000	1.6
73.06557	0.4
76.44234	0.2
79.01859	54.2
79.05499	3.8
80.02193	0.6
81.07057	5.4
83.04984	2.4
83.08624	1.0
85.06575	0.3
87.00841	1.0
91.05479	1.8
93.03412	2.2
93.07044	12.5
95.04967	1.9
95.08614	8.2
97.02898	8.8
97.06535	8.4
102.63154	0.2
105.07066	0.5
107.01324	14.1
107.04995	0.5
107.08598	17.1
109.06519	0.4
109.10165	6.6
110.03687	0.6
111.04456	2.4
111.08113	1.5
111.96867	0.8
118.89832	0.2
121.02898	0.3
123.00797	1.8
125.02359	16.2
125.05983	1.7
125.09670	0.3
129.97972	0.3
135.08066	0.5
135.11696	11.0
138.03099	0.6
143.03403	34.8
144.03761	0.6
153.01834	100.0
153.02968	31.6
153.05257	2.1
153.09155	0.8
153.12743	9.0
154.02113	1.4
154.03333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.9
51.02382	4.7
53.00309	0.3
53.03919	0.3
55.01877	1.3
55.05513	1.2
57.03445	0.7
57.07065	0.4
59.04998	1.4
65.03942	1.9
67.05508	3.1
68.99794	0.4
69.03426	2.4
69.07072	2.9
70.84238	0.3
70.94259	1.0
70.95871	0.6
71.05000	1.2
71.22569	0.4
73.06538	0.4
73.19758	0.3
79.01856	50.1
79.05491	3.2
81.07063	4.7
83.01361	0.3
83.04985	1.9
83.08614	0.4
83.56702	0.3
86.59875	0.3
87.00851	0.7
91.05477	2.1
91.43428	0.3
93.03402	1.7
93.07048	10.4
95.01334	0.5
95.04993	1.6
95.08611	7.5
97.02892	8.7
97.06535	6.9
105.07051	0.4
107.01318	13.5
107.04990	0.3
107.08599	13.8
109.06516	0.6
109.10155	6.0
110.03645	0.4
111.04446	1.7
111.08080	1.0
111.96863	0.8
123.00806	1.9
125.02358	15.1
125.06024	1.3
133.41724	0.3
135.08081	0.4
135.11702	9.4
138.03090	0.5
143.03400	31.3
144.03761	0.5
153.01826	100.0
153.02959	30.3
153.05457	1.7
153.09137	0.7
153.12741	9.0
154.02193	1.0
154.03317	0.4
163.82150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.03949	5.2
55.01873	0.8
55.05513	100.0
56.05849	0.8
57.07072	3.5
59.05006	3.2
65.03949	1.3
67.05148	1.2
67.05508	22.6
69.03440	2.3
69.07066	4.0
71.08624	1.2
71.38563	1.0
71.38896	0.7
71.63115	0.6
79.05495	10.3
80.50742	0.6
81.03446	0.9
81.07057	36.3
83.08627	0.7
91.05480	11.6
93.07051	8.5
95.04972	12.6
95.08614	16.2
96.08103	0.8
97.06532	16.7
105.07024	14.1
107.08594	12.5
108.05761	1.0
109.06525	12.2
109.10160	28.4
110.07298	1.2
119.04947	2.9
119.06003	0.6
121.10178	1.2
123.04433	8.4
123.08073	4.8
123.11705	12.2
133.06514	3.1
133.10159	4.6
136.05170	1.3
136.08838	0.8
137.03465	0.7
151.02792	0.7
151.03893	2.6
151.07573	10.5
151.10010	1.6
151.11180	22.7
151.14873	2.3
152.38155	0.7
167.28346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03950	7.5
55.01881	6.8
55.05513	22.2
57.03428	2.8
57.07074	12.7
59.05011	2.7
65.03942	16.6
67.05508	58.5
68.99794	1.2
69.03436	30.0
69.07076	9.8
71.01374	1.1
71.04998	4.8
71.08624	5.2
71.49215	1.3
77.03947	1.4
79.05498	22.4
80.02625	1.6
80.06252	1.1
81.03413	3.6
81.07059	78.1
83.04979	1.8
83.08611	2.8
91.05487	68.4
93.03428	1.9
93.07049	26.7
95.01343	1.2
95.04972	25.3
95.08613	88.1
96.05763	1.5
96.08135	1.5
97.06539	5.1
103.05488	2.5
105.03409	1.2
105.04486	1.6
105.07038	30.6
107.04956	4.5
107.08592	25.4
108.02111	10.6
108.05758	9.9
109.02908	1.4
109.06519	30.4
109.10162	75.2
110.07317	1.2
111.04443	2.2
112.01647	1.5
118.60152	0.9
119.04946	27.0
119.05861	2.0
121.02785	1.0
121.06511	3.5
121.10178	2.2
123.04440	18.8
123.08070	24.6
123.10847	1.5
123.11699	20.2
131.08574	1.7
133.02879	1.6
133.06468	3.7
133.10135	14.9
136.01550	1.1
136.05190	11.9
136.08838	9.2
137.05971	1.8
141.05466	4.1
151.02841	4.8
151.03915	60.3
151.05057	22.9
151.07562	56.0
151.11189	100.0
151.14827	12.6
152.01680	2.4
152.07088	2.3
152.11530	1.9
162.47667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
51.17469	0.5
53.03938	1.7
55.01861	1.1
55.05506	1.0
57.03425	0.5
65.03944	3.0
67.05513	5.0
69.03434	0.6
69.07101	0.5
71.49771	0.5
79.05500	3.6
80.06274	1.6
81.03421	0.6
81.07063	5.7
85.85484	0.4
87.16472	0.5
88.48670	0.5
91.05490	23.4
92.83377	0.5
93.03397	0.5
93.07053	6.7
95.01346	0.5
95.04968	5.2
95.08615	3.6
97.16836	0.5
105.04518	0.6
105.07029	4.6
107.04979	3.0
107.08597	1.6
108.02084	1.2
108.05744	23.6
109.06557	2.5
109.10163	2.3
119.04945	9.9
121.06510	0.7
123.04433	1.5
123.08088	4.6
123.11716	1.3
133.06551	0.6
133.10152	1.6
136.05208	25.2
136.67329	0.4
147.65646	0.5
151.03917	5.4
151.05026	2.0
151.07553	100.0
151.11125	5.6
151.39420	0.5
152.07849	1.4
156.74986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	CARVONE
Peak:m/z	Relative Intensity
51.63494	0.6
53.03951	4.5
55.01881	1.1
55.05515	100.0
56.05862	1.1
57.07079	2.9
59.04999	2.8
65.03954	1.9
67.05146	1.1
67.05508	22.7
69.03432	2.7
69.07063	3.5
70.47921	0.6
71.07473	0.7
71.08653	1.4
71.38884	1.2
71.47829	0.6
72.96121	0.5
78.41466	0.6
79.05492	10.5
79.05907	0.7
81.07059	36.6
85.94006	0.6
91.05491	13.5
91.06025	0.9
93.07052	9.0
95.04980	10.9
95.05563	0.9
95.08611	17.5
95.09171	1.0
96.08157	1.2
97.06536	16.2
105.07036	11.7
107.08598	12.4
108.09413	1.3
109.06531	13.1
109.10161	27.1
110.07302	1.4
110.27551	0.6
119.04948	4.1
121.06506	0.7
121.10165	1.4
123.04442	8.0
123.08060	3.8
123.11722	10.4
123.91374	0.6
124.07645	0.9
133.06485	3.6
133.10123	3.6
136.05244	0.9
136.08900	0.8
151.03979	1.9
151.07562	9.3
151.08633	0.7
151.11203	19.0
151.12355	1.0
151.14908	2.1
152.07111	1.4
152.11588	0.8
160.46291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
53.03947	1.0
54.25187	0.3
55.05525	0.6
58.18039	0.3
65.03951	2.0
67.05511	2.0
69.03419	0.4
69.34779	2.6
77.03915	0.4
79.05491	2.8
80.06264	1.1
81.07052	1.6
90.04707	0.4
91.05486	20.9
93.07043	2.6
95.04987	2.7
95.08597	2.2
103.05481	0.4
105.07034	2.5
107.04950	3.0
107.08586	1.0
108.02100	0.5
108.05745	22.9
109.06515	1.1
109.10144	0.6
119.04955	9.2
119.98248	0.3
121.06483	0.5
123.08074	3.0
123.11697	0.5
136.05206	24.7
137.05710	0.4
149.59787	0.4
151.04155	1.9
151.07552	100.0
151.11028	1.9
152.07904	1.1
161.48944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	875-59-2
Peak:m/z	Relative Intensity
52.49368	0.2
53.03954	1.1
54.19703	0.3
55.01858	0.7
55.05517	2.0
57.03424	0.4
59.05005	0.4
62.40849	0.2
65.03944	2.8
66.04729	1.7
67.05511	4.0
68.99780	0.3
69.03421	0.8
69.07078	0.5
69.84558	1.3
71.04986	0.6
77.03932	0.7
78.04722	1.6
78.05090	0.3
79.05495	5.0
80.06283	3.6
81.03432	0.4
81.06596	0.4
81.07059	6.6
83.04995	0.3
85.11430	0.3
89.03905	0.4
90.04708	2.8
91.04914	0.6
91.05486	12.4
92.06295	0.3
93.03412	1.2
93.07055	3.9
94.04225	0.4
94.45869	0.3
95.04971	3.1
95.08602	1.7
97.06534	0.3
105.03392	2.0
105.04516	0.5
105.07037	4.6
106.04169	2.4
107.04963	31.8
107.08595	4.6
108.02122	0.3
108.05751	13.3
109.02920	0.3
109.06532	3.0
109.10149	1.9
118.04166	1.8
119.04945	1.7
119.06085	0.5
121.02914	0.2
123.04440	3.4
123.08089	2.3
123.11717	1.5
123.77164	0.2
133.06509	0.5
133.10110	2.6
135.04420	8.5
136.05212	4.8
151.03915	4.6
151.07552	100.0
151.11115	5.0
152.07948	1.5
161.61606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0392
Annotation	Piperonal
Peak:m/z	Relative Intensity
50.01603	0.2
50.75564	0.2
51.02396	0.3
53.03947	0.9
55.01858	0.8
55.05503	0.6
63.32730	0.2
65.03945	17.1
66.04294	0.2
67.05512	4.7
68.99780	0.6
69.03418	0.2
69.07071	0.3
70.35468	0.8
77.03922	0.2
79.05492	0.7
80.02641	0.4
81.03423	2.3
81.07076	1.3
83.04990	1.7
85.08962	0.2
91.05475	1.8
93.03412	3.2
93.07060	0.8
93.48071	0.2
95.04379	0.3
95.04977	4.2
95.08619	1.5
104.29265	0.2
105.03405	0.4
105.04556	0.3
105.07039	0.6
107.08595	0.3
108.02104	18.3
109.06532	0.6
109.10150	0.6
109.44340	0.2
111.04454	0.9
119.04942	0.5
121.02875	3.1
121.03973	0.9
123.03558	0.4
123.04424	3.4
123.08062	0.7
123.11700	0.3
133.06564	0.3
133.10147	0.3
136.01567	16.9
136.05173	0.4
137.01912	0.3
151.03914	100.0
151.07356	1.9
151.11145	1.3
152.04277	1.9
154.02620	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	151.0754
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
53.03944	2.8
53.12997	0.6
55.01875	3.3
55.05515	4.7
57.03430	1.0
57.07067	0.8
64.25793	0.6
65.03947	7.9
67.05507	17.2
69.03439	3.8
69.07054	2.0
70.95830	0.7
71.04984	1.0
71.49168	0.8
77.03927	1.3
79.05491	10.6
80.06274	2.1
81.03412	1.7
81.07060	29.4
83.04989	0.8
83.54015	0.6
91.05486	100.0
92.05820	0.6
93.07047	7.8
94.04211	0.7
95.04978	13.5
95.08610	9.7
97.02856	0.7
97.06544	1.1
103.05482	1.3
105.04517	1.2
105.07035	14.4
107.04951	3.9
107.08603	11.6
108.02096	2.4
108.05746	15.1
109.02876	0.7
109.06524	32.1
109.10158	14.6
110.71401	0.7
111.71137	0.6
113.34106	0.7
119.04945	48.8
120.05257	0.6
121.02883	0.6
121.06492	1.7
121.10146	0.8
122.07278	1.3
123.04436	6.4
123.08074	13.1
123.11700	7.7
123.12511	1.0
127.07574	2.1
133.06461	1.8
133.10132	7.5
136.05206	23.9
137.05957	2.4
141.05443	1.0
151.02864	2.0
151.03915	11.2
151.07552	90.3
151.11185	26.0
152.07918	1.5
154.80872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03935	7.3
55.01867	3.8
55.05516	3.2
65.03942	30.8
68.54891	1.7
69.03428	3.5
69.07058	3.0
70.04535	5.5
79.05499	27.7
80.52718	1.6
81.07061	2.2
89.03915	3.2
91.05486	70.1
93.03417	4.6
93.07048	45.0
95.04964	4.5
98.21543	1.7
103.05486	12.3
105.04482	2.6
105.07040	56.1
106.07842	3.1
107.04976	2.3
107.08612	11.3
109.06513	4.8
111.04430	4.0
115.05472	8.9
116.05431	2.2
116.06243	28.8
119.08595	11.2
120.05727	1.8
121.02871	26.5
121.03986	8.8
121.06520	20.4
121.10146	49.1
123.08071	4.8
125.57597	1.6
128.06207	2.5
129.06999	10.8
131.08577	24.7
133.07663	4.6
134.07310	6.0
147.08083	3.7
149.02348	55.0
149.03526	3.4
149.06024	2.0
149.09631	100.0
149.13313	2.8
150.09995	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02380	1.2
52.03179	0.7
53.03948	6.3
55.01876	6.8
55.05516	29.1
56.29356	0.6
57.03444	1.1
57.07074	1.1
59.05011	0.9
65.03619	1.3
65.03941	15.8
65.04290	0.9
66.24126	0.6
67.05508	23.2
68.32668	0.6
68.48948	0.8
68.99783	1.5
69.03427	1.4
69.07075	1.6
69.58624	1.7
69.59033	2.7
69.76113	0.7
71.01369	0.7
71.04995	0.7
77.03923	2.1
77.97595	0.6
79.05507	6.9
80.02638	1.8
81.03419	1.5
81.07064	20.0
83.04993	0.9
84.02132	0.7
85.02902	1.8
85.21574	0.5
91.05486	24.7
93.07056	7.6
95.01338	0.9
95.04974	13.8
95.08620	6.4
97.06534	4.3
98.20751	0.8
105.04530	2.8
105.07034	10.2
107.05009	1.3
107.08601	12.4
108.02105	19.6
109.02892	0.7
109.06529	8.5
109.10159	10.7
111.04464	2.5
112.01595	1.1
119.04944	9.0
121.04005	1.8
121.10159	1.5
123.04442	13.4
123.08070	5.0
123.11715	4.6
127.03905	0.9
133.06528	1.0
133.10143	7.8
136.01566	2.7
136.05133	1.4
136.08861	1.0
137.06010	0.9
141.05493	9.4
151.03918	100.0
151.05058	43.9
151.07521	12.9
151.08687	1.3
151.11177	15.5
152.04248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.01881	0.5
53.45348	0.5
55.05528	0.6
60.67088	0.5
65.03943	12.3
70.87035	0.6
70.87357	0.9
71.04997	0.5
76.49324	0.5
91.05486	100.0
92.05808	1.1
93.07028	0.6
105.07030	5.5
106.95930	0.6
107.05006	0.6
107.30294	0.5
117.07030	1.1
118.85631	0.5
119.04948	85.2
119.08578	6.4
120.05313	1.3
132.07352	0.5
145.10100	1.1
147.04414	34.0
147.08080	2.0
147.11688	4.1
148.04845	0.6
150.10722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.44513	0.5
51.50945	0.5
55.05511	0.6
65.03944	13.2
65.37749	0.6
71.23125	0.6
71.23467	0.7
91.05486	100.0
92.05833	1.3
93.72993	0.5
105.07034	4.7
108.56152	0.6
112.27557	0.5
117.07011	0.7
119.04948	90.0
119.08580	6.1
120.05281	1.7
147.04420	33.8
147.08037	1.0
147.11705	2.8
168.14706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.46999	1.1
51.30711	1.1
53.03936	2.1
55.05510	10.4
65.03936	2.7
67.05502	4.7
69.07063	3.3
69.07436	1.0
69.27555	4.6
69.27982	5.1
77.03931	1.6
79.05495	9.0
81.07045	4.2
83.96154	1.1
91.05486	63.1
92.05815	1.2
93.07047	9.2
103.05479	4.5
104.06284	1.4
105.07036	73.0
106.44479	1.1
107.08595	5.5
115.05475	2.2
116.06225	2.1
117.07025	17.7
119.04956	18.9
119.08586	76.1
120.08916	1.5
123.96478	1.5
130.07805	1.6
131.08592	2.4
132.09354	6.0
145.10115	7.7
146.32982	1.1
147.04431	6.3
147.08061	3.7
147.11694	100.0
148.12051	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03939	4.6
55.05512	17.5
59.51016	1.2
63.05525	1.2
64.92807	7.0
65.03929	2.3
67.05231	1.3
67.05511	13.4
69.07060	4.8
71.09023	3.0
79.05491	16.4
81.07068	9.1
83.55578	1.5
87.05567	1.5
91.05484	62.5
93.07050	20.9
95.04961	4.1
103.05463	5.8
104.06246	2.4
105.04541	1.6
105.07036	100.0
107.08604	3.3
115.05428	2.4
117.07017	19.8
119.04932	2.5
119.08588	92.5
123.96490	11.5
130.07802	2.0
131.08578	1.6
132.09395	3.2
145.10141	5.2
147.04434	1.8
147.08089	2.0
147.11696	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.21449	0.5
65.03932	2.8
70.39507	0.5
70.58688	0.9
70.59004	0.7
72.08143	1.1
84.79050	0.5
91.05488	46.0
92.05802	0.5
100.07641	0.8
103.04591	0.5
103.11286	0.5
117.05781	5.2
118.06550	100.0
119.04953	20.0
119.06882	1.9
119.08555	0.7
128.04980	2.2
146.06026	14.0
146.07123	1.0
147.04428	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	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.45746	0.7
55.52873	0.7
65.03944	10.6
67.54543	0.7
69.79259	4.6
69.79566	0.9
83.06120	0.9
83.95043	0.9
84.60403	0.8
84.61469	0.7
91.05490	100.0
92.05834	1.3
119.04955	94.0
119.08601	1.5
120.05290	1.8
121.76315	0.7
133.16566	0.7
147.04427	34.3
148.04790	1.2
166.38319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.55418	0.4
57.54297	0.5
64.92796	0.5
65.03944	11.0
69.47752	3.5
79.05488	0.6
82.68785	0.5
86.74663	0.5
91.05487	100.0
92.05809	1.1
98.20756	0.7
105.07040	3.5
117.07039	0.8
119.04949	89.6
119.08596	4.4
120.05279	1.6
147.04420	33.7
147.08011	0.7
147.11702	2.0
148.04836	0.9
166.19232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.01202	0.5
52.73919	0.5
53.03938	0.6
65.03945	11.2
69.27627	0.4
69.43354	3.7
91.05492	100.0
92.05819	1.8
105.07046	2.8
107.04930	0.5
116.92418	0.5
117.07043	0.6
119.04956	92.0
119.08596	3.5
120.05313	1.8
147.04427	35.7
147.11684	1.6
148.04793	0.5
149.75407	0.5
160.09088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1069
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.05515	22.6
57.07081	20.1
57.93024	2.0
65.03928	2.9
67.05515	12.8
69.03442	15.6
69.07067	4.2
69.85870	7.3
69.86288	3.9
71.05000	100.0
73.06564	12.5
79.05493	6.4
81.07078	3.5
83.04986	11.5
83.08627	7.9
83.79808	2.4
83.80316	2.7
85.02935	2.9
85.06556	47.2
89.40098	1.9
90.65121	2.3
91.05494	3.3
97.02901	10.3
97.10175	14.1
101.95031	3.5
102.88536	2.0
103.05262	2.1
103.73190	2.0
107.08608	33.8
115.05506	4.4
125.02379	9.6
125.09646	19.6
128.06236	25.4
143.03403	60.0
143.08583	4.1
143.10675	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	4.5
55.05278	2.3
55.05517	21.5
57.07074	15.9
59.04998	4.0
67.05495	9.9
69.03433	12.7
69.15780	2.3
71.04996	100.0
71.49139	3.5
73.06569	12.5
79.05460	5.4
81.07037	5.4
83.04962	11.0
83.08601	9.7
85.06550	45.9
97.02896	13.4
97.10149	15.1
101.95041	4.5
107.08589	29.0
115.05442	8.3
125.02319	11.5
125.09631	23.7
128.06232	38.5
143.03397	71.8
143.08575	14.7
143.10660	7.6
150.37814	3.0
155.06012	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	143.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.2
55.05517	16.8
57.03444	2.0
57.07084	15.5
59.05008	3.1
60.12254	1.4
66.16100	1.5
67.05494	7.4
69.03432	20.3
69.07068	4.1
71.01313	1.7
71.05001	91.5
71.49816	2.8
72.04517	3.6
72.05305	1.7
73.06554	13.7
79.05488	4.1
81.07050	4.6
83.05006	9.4
83.08618	9.0
85.02882	4.2
85.06551	43.3
91.05463	4.0
97.02905	20.0
97.06562	1.9
97.10168	8.6
101.95047	5.2
107.08595	28.9
112.38960	1.5
115.05473	9.8
125.02380	19.8
125.09644	15.7
128.06244	31.1
143.03409	100.0
143.08574	12.9
143.10594	3.8
144.07985	2.4
155.06049	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	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69678	0.8
53.03947	1.7
57.80762	0.8
62.93003	6.7
63.02382	0.9
71.04986	0.9
71.23838	1.2
79.05491	2.7
81.03395	0.8
85.02888	1.0
86.94455	0.7
91.05490	17.1
99.04451	3.0
103.05478	3.9
105.07040	69.4
115.05469	10.2
116.06255	2.6
117.07024	26.4
117.07853	0.9
121.96649	10.6
128.06233	7.5
129.07034	14.3
130.07797	50.4
131.08205	1.7
143.08574	10.7
145.10132	100.0
145.28827	0.8
146.05983	0.9
146.10477	2.7
155.06059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01870	1.0
56.96572	4.9
57.03187	0.4
57.03446	3.6
58.06598	1.0
58.99863	3.1
61.02928	0.8
68.00270	0.4
68.02657	0.6
68.52712	0.3
68.98304	0.4
69.03432	0.9
70.06587	0.6
70.98119	1.1
70.99865	9.3
71.48874	0.5
71.95275	0.5
73.02919	0.5
75.00984	0.3
77.00913	2.7
78.52974	0.6
79.02169	0.4
79.51933	0.7
81.03423	0.9
81.04549	4.8
82.01435	1.2
82.99849	6.6
83.01348	0.5
84.08155	1.2
84.52957	0.3
85.01411	0.4
85.02917	1.3
85.53764	0.6
86.03694	0.9
86.99309	0.3
88.02690	1.0
89.00906	3.8
92.52736	0.3
93.01889	0.3
95.01955	0.5
95.06101	2.5
97.02889	1.3
97.07651	0.7
98.01325	0.5
98.02949	0.3
98.06058	0.5
98.09681	0.9
98.97572	2.2
99.53487	0.5
100.00111	0.7
100.02486	1.9
101.00891	62.1
101.50949	0.4
102.00974	1.8
102.02415	1.0
103.01308	0.3
103.02457	0.7
104.52668	0.3
109.02905	1.0
110.01398	0.4
110.97576	0.3
111.03158	0.3
113.00876	1.0
113.53215	1.5
115.02476	0.9
116.98638	0.9
118.01114	0.5
118.03498	0.7
119.01932	100.0
120.02020	3.5
121.02419	0.6
121.03494	0.6
122.53722	1.1
123.01728	0.3
124.02470	1.4
125.02351	1.6
125.07138	2.2
127.01601	0.3
131.01912	2.2
131.54260	0.6
133.03484	1.3
137.02968	10.7
137.04024	0.5
138.00113	0.3
141.02759	1.6
142.03516	2.1
142.96547	0.7
143.01915	5.3
143.03403	3.9
143.08156	1.5
144.10223	7.5
145.03461	0.5
157.03564	0.5
161.02959	5.9
162.03111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43939	1.0
55.01879	6.5
55.05519	6.5
56.96537	1.1
57.07066	3.7
59.04988	2.5
66.69669	1.0
67.05505	3.2
68.99782	1.1
69.03435	15.4
69.07047	2.0
71.01360	2.1
71.05000	22.6
71.48816	1.4
71.95258	1.2
73.02907	1.2
73.06544	3.1
79.05485	2.2
83.01314	1.6
83.04976	3.8
83.08618	3.2
85.02898	2.5
85.06543	9.5
97.02897	19.3
97.06538	1.2
97.10185	2.3
98.06074	1.3
101.00905	6.4
101.95032	6.1
107.06928	1.1
107.08599	6.4
111.00809	0.9
113.02479	0.9
115.05476	1.8
119.01208	0.5
119.01929	17.1
119.96044	2.8
121.00777	2.0
125.02358	20.5
125.05991	1.2
125.07950	3.2
125.09628	3.8
125.40265	0.8
128.06232	3.8
129.48912	0.9
137.02940	3.2
137.97070	1.6
139.01881	4.8
142.68814	0.9
143.03406	100.0
144.03709	1.3
144.06561	1.7
144.08089	3.2
148.76006	0.8
161.02986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
55.05519	19.6
57.07076	12.0
59.04992	2.3
65.68690	1.6
67.05513	9.4
69.03437	18.6
69.07053	3.0
71.04999	85.2
71.49596	1.9
72.04514	2.3
73.06558	12.0
76.01766	1.7
79.05492	3.0
80.17677	1.5
81.07060	5.4
81.99413	1.5
83.04979	7.7
83.08607	6.3
85.02903	4.6
85.06548	33.7
87.85030	1.3
91.54831	1.5
94.49940	1.7
97.02895	19.0
97.10184	14.0
101.95051	7.2
107.07889	2.2
107.08598	28.5
115.05455	7.8
119.96062	2.2
125.02364	18.1
125.09624	19.7
128.06230	35.4
139.01825	1.9
143.03403	100.0
143.08601	9.6
143.10674	4.5
144.03726	1.5
144.06577	1.9
155.06018	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	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.7
57.03439	1.1
58.99866	4.0
61.59327	0.6
65.01172	0.5
67.14091	0.5
69.21284	0.9
69.21687	4.3
70.98115	0.7
70.99863	11.2
74.65106	0.6
77.00919	3.9
81.04551	6.5
82.01425	0.6
82.19746	0.5
82.99844	7.6
84.08112	0.7
85.02872	0.7
86.03722	0.5
86.99361	0.6
89.00905	4.0
95.06088	3.3
100.02527	0.9
101.00890	67.5
102.01003	1.0
102.19510	0.5
103.02448	1.1
107.01936	0.7
109.02850	0.7
110.01402	1.0
113.00879	0.7
113.53239	0.6
118.03516	0.6
119.01932	100.0
120.02032	2.2
121.02351	0.7
124.02484	1.0
125.07162	2.9
131.01918	1.8
133.03488	0.7
137.02986	8.0
142.03510	1.9
143.01894	6.5
143.03525	1.3
143.08171	1.8
144.10194	5.2
161.02977	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	142.0864
Annotation	Arecaidine
Peak:m/z	Relative Intensity
53.03942	0.7
55.01868	1.5
55.05497	1.4
56.05037	1.4
56.18863	0.6
56.96556	1.0
59.68430	0.7
59.93101	2.4
67.05507	1.1
68.05025	1.4
69.03442	4.1
69.77873	3.9
70.06591	1.3
70.52534	0.6
70.53847	0.7
71.04996	40.9
72.04520	14.0
79.05495	16.7
81.07044	0.8
82.02934	4.7
82.06536	0.6
96.04514	1.5
96.08141	5.9
97.02885	2.1
98.20827	1.0
100.97166	0.9
100.98064	0.8
101.00880	1.5
101.95023	2.9
106.06559	50.0
114.09177	1.0
118.96788	4.8
119.01896	4.9
119.96074	1.5
120.25433	0.8
124.07597	100.0
125.02359	2.5
125.07954	1.6
127.03442	0.8
137.97075	0.7
142.05836	1.6
142.08643	17.5
142.12338	0.8
143.03407	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91110	7.5
66.79076	8.1
70.04927	27.3
78.14040	7.8
88.51683	21.2
100.14731	8.3
101.00870	50.0
101.41210	7.3
102.08562	6.5
119.01914	100.0
119.48993	14.3
128.49504	30.6
137.02972	11.3
137.50037	28.3
140.00340	12.2
142.03539	18.9
149.00819	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	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62411	2.0
56.96551	9.6
57.03457	4.6
70.06580	2.4
70.99849	8.9
71.47984	3.2
73.02904	2.8
76.52446	2.1
81.04530	2.7
82.01467	2.4
82.99842	8.8
83.37360	2.1
85.02899	2.7
88.02660	3.7
89.00882	3.0
89.75782	1.9
95.98046	2.5
98.97573	10.0
100.00119	3.2
101.00890	76.4
104.52528	2.5
112.81541	2.2
116.98643	3.6
118.96708	2.2
119.01928	100.0
124.35427	2.3
137.02983	13.5
142.03558	11.8
143.01906	4.9
143.03363	3.7
161.02959	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	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13136	0.5
56.96569	17.6
65.26054	0.5
69.82125	1.6
69.82516	1.1
71.95273	6.9
77.25126	0.5
77.54173	0.5
80.69208	0.5
87.25064	0.5
98.20779	1.2
98.97588	100.0
105.74426	0.5
112.78083	0.7
114.20197	0.5
116.98628	34.8
125.02355	0.7
134.99658	7.4
140.00270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88388	0.6
54.98625	0.6
56.96568	17.8
71.39952	0.9
71.95262	6.1
74.22714	0.6
97.17901	0.6
98.97591	100.0
116.98631	34.0
116.99477	1.4
134.99667	6.4
140.64922	0.6
156.97581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0547
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
50.01581	0.4
53.03952	2.5
54.61652	0.4
55.01870	1.1
55.05511	0.5
56.96571	0.5
57.03428	0.5
57.91184	0.4
62.81995	0.4
65.03954	0.9
67.01593	0.3
67.01872	3.6
67.05496	1.8
67.93567	1.0
68.99791	3.8
69.94511	0.4
70.61058	0.8
70.61430	0.6
71.04990	0.7
73.06541	1.0
81.03425	23.6
83.04956	0.5
85.02899	1.6
85.06551	0.5
89.55743	0.3
94.59254	0.4
94.59889	0.4
95.01321	0.5
95.04389	0.6
95.04977	7.3
95.08605	0.5
98.03683	16.0
98.07162	0.4
98.97583	0.7
99.04459	1.3
99.97915	0.7
108.02108	1.7
109.02891	14.5
111.00764	0.6
113.02370	2.6
113.06003	6.0
117.98979	0.4
123.04439	4.2
126.03148	16.2
127.01588	0.6
127.03933	5.9
140.95241	0.6
141.01877	2.7
141.05472	100.0
142.05826	1.0
156.71761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	26.2
55.05503	3.3
57.03438	1.8
67.01852	1.7
67.05504	7.8
67.93569	2.8
68.99794	1.6
69.07040	1.5
69.65713	5.2
71.04968	2.7
79.05461	1.6
81.03397	2.0
81.07062	4.7
85.02905	2.7
91.12072	1.1
95.01328	2.2
95.04967	3.3
95.08607	11.0
97.06539	100.0
98.06867	2.3
98.97568	1.2
109.02879	2.6
111.00803	3.9
112.08721	1.4
113.02377	10.6
115.05441	3.2
116.98613	1.2
118.96709	1.2
123.04446	1.1
123.08068	4.3
126.03131	1.9
133.42378	0.9
141.01852	14.4
141.05525	5.0
141.06995	7.1
141.09100	4.0
141.11142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02385	0.6
53.03951	4.2
55.01882	6.7
55.05501	2.5
56.34370	0.6
60.93731	0.6
63.92641	0.6
65.03624	1.1
65.03948	18.1
67.01876	4.7
67.05509	9.1
68.99450	1.1
68.99797	14.0
69.03432	3.4
69.85135	1.7
69.85550	1.5
71.01349	2.1
71.29173	0.6
83.04996	8.0
93.03414	13.2
95.04979	2.7
97.02904	3.3
98.07480	0.7
98.21423	1.2
98.97600	0.7
98.98479	1.2
99.00814	1.1
105.04533	0.7
111.04457	23.3
111.05232	1.2
112.04800	0.6
121.02866	2.5
121.04019	0.6
127.65491	0.6
134.95351	0.5
139.03918	100.0
140.04259	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
51.02384	1.8
53.00299	3.7
53.03934	4.4
55.01872	11.8
55.05513	12.2
56.96566	9.1
57.93559	2.1
63.60070	1.6
65.03946	92.0
67.01839	1.8
67.05492	6.2
68.02673	2.1
68.99795	25.8
69.03428	7.3
70.06598	2.0
70.93362	2.3
70.93687	2.0
71.01363	2.7
71.95266	2.6
79.05460	1.6
79.84823	1.5
81.03084	1.3
81.03432	14.6
83.04989	18.6
91.05509	2.0
93.03413	20.6
93.04560	2.2
93.07040	2.2
94.04073	1.6
95.04974	11.6
96.02117	5.2
97.02924	2.5
97.06561	2.4
98.97589	37.2
98.98466	26.2
111.04449	100.0
112.04054	1.4
116.97235	4.0
116.98619	17.5
121.02873	59.3
121.03988	17.5
134.99695	4.3
139.03912	61.6
139.04903	2.4
139.08678	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03479	3.9
55.05280	5.2
55.05516	76.5
56.05028	12.9
57.02164	4.8
57.04549	16.1
57.07071	12.5
58.02964	60.7
61.79214	3.7
65.03928	6.1
65.57742	3.7
66.03480	4.2
68.05025	7.1
69.03412	7.7
69.04545	4.6
69.07069	45.0
70.03471	15.5
70.06571	5.2
71.06113	8.4
72.08141	6.5
81.04529	11.1
83.06106	5.0
83.08623	71.6
83.09080	7.7
84.08134	6.0
85.05152	5.1
93.04523	25.1
95.06086	20.5
96.05631	7.1
97.03984	5.1
97.06470	7.0
97.07651	16.6
97.10166	12.9
98.04797	12.2
98.07186	100.0
98.98478	50.8
99.04319	3.7
99.05631	18.5
99.06162	4.7
111.04456	8.9
112.08689	5.6
116.97232	3.7
121.02797	3.4
121.03109	5.6
121.04004	69.9
122.07151	55.9
139.05028	41.4
139.06020	6.2
139.07565	5.8
139.08684	8.3
139.09787	24.8
139.12213	5.9
140.08183	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03951	14.7
55.01851	3.2
55.05494	7.6
57.07063	7.4
65.03927	5.8
66.04700	8.4
67.05193	3.2
67.05515	48.8
69.03407	4.4
69.07063	5.2
70.25134	5.7
77.03889	3.1
79.05501	35.2
79.19817	1.9
81.03397	5.0
81.06607	3.0
81.07066	42.6
91.05492	71.5
93.06493	3.7
93.07054	63.4
94.03631	3.0
94.04198	46.4
95.04989	19.3
95.08611	57.3
96.04489	6.4
102.48882	2.4
103.05457	3.5
104.06245	2.4
105.04492	5.7
107.04949	5.0
107.08573	3.5
109.06515	11.7
109.10166	20.0
114.80375	2.0
117.07001	9.7
119.04904	3.1
119.08597	30.4
122.03672	51.2
122.07291	11.0
133.77637	2.1
134.30908	2.1
137.02429	14.9
137.03426	3.7
137.05965	100.0
137.09624	44.4
137.13232	5.3
138.05496	2.8
157.28014	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03936	0.5
56.96563	0.4
61.02877	0.2
64.80096	0.1
65.03943	1.2
67.05511	1.1
68.00256	0.2
69.55467	0.9
69.94535	0.1
78.03465	1.1
79.04234	0.2
82.06573	0.2
85.01406	0.2
89.23228	0.2
92.05013	9.0
93.05797	1.1
94.06573	19.0
96.01508	0.2
96.04500	3.1
98.97587	0.3
101.00848	0.3
102.02413	0.2
110.06049	9.7
111.02924	0.3
115.00687	0.2
115.02464	0.4
119.01939	0.3
131.01929	0.3
133.01665	0.6
133.03465	1.0
133.04865	0.1
136.03941	0.4
138.05508	100.0
139.05873	1.4
143.01903	0.2
154.04999	0.4
155.01886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Salicylate
Peak:m/z	Relative Intensity
53.03941	0.8
55.01883	1.6
55.05509	0.5
56.96571	0.5
59.10334	0.3
60.63541	0.3
65.03944	12.7
67.01862	0.6
67.05512	1.7
68.99811	1.7
69.03430	0.7
69.99363	0.3
70.93200	0.3
70.93562	0.7
83.04997	1.7
93.03418	5.6
93.04517	0.3
93.07053	0.5
95.04961	1.9
95.08574	0.5
97.02885	0.6
98.03691	0.5
98.97603	2.7
98.98483	2.4
111.04455	6.9
116.97224	0.8
116.98653	0.8
121.02878	100.0
121.03913	4.0
122.03224	1.2
139.03917	15.5
139.07538	0.4
139.11214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.65597	0.7
53.03941	2.6
55.01871	1.1
55.05515	1.0
55.80756	0.8
65.03950	2.1
66.04729	8.1
67.05511	17.3
69.07059	1.0
69.39204	3.5
69.39627	2.4
77.03943	1.2
79.05495	6.8
79.59010	0.7
81.03414	1.2
81.07063	8.0
91.05491	12.7
93.07041	2.5
94.04195	47.9
95.04974	3.4
95.08623	5.7
104.06268	1.0
105.03396	1.2
107.04956	16.0
107.08627	1.6
109.06540	0.9
109.10168	19.0
114.19035	0.8
117.07026	1.5
119.08596	8.7
121.06519	5.5
122.03661	69.3
122.07297	58.4
123.03979	0.8
135.08057	1.4
137.02504	1.4
137.05991	100.0
137.09622	50.7
138.06300	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	3-Phenylpropanol
Peak:m/z	Relative Intensity
53.03949	12.2
55.01879	4.4
55.05505	3.6
57.03423	2.2
57.07072	1.6
59.05001	1.9
65.03938	3.7
66.04710	5.4
67.05510	30.8
69.03423	2.2
69.07058	2.1
69.94006	6.3
71.05000	2.5
77.03924	3.2
79.05498	31.2
81.03406	4.0
81.07069	24.8
91.04915	3.8
91.05487	68.8
93.07051	62.1
93.07646	3.4
94.03624	3.0
94.04192	43.7
95.04977	12.5
95.08618	47.0
98.20709	1.6
105.04526	6.0
107.04979	3.2
109.06538	9.1
109.10165	11.4
117.07020	11.4
119.08593	37.6
122.03658	63.4
122.07290	6.5
137.02440	7.5
137.05978	100.0
137.09628	35.5
137.13271	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02390	0.6
53.03943	2.3
55.01876	0.9
55.05515	1.8
58.69753	0.5
65.03941	3.3
66.04735	5.0
67.05512	25.9
69.03439	1.5
69.07077	0.9
70.01231	1.0
70.01627	1.3
77.03940	1.8
79.05503	7.8
81.03432	1.1
81.07064	11.7
91.04905	0.8
91.05490	15.5
93.07050	4.9
94.04196	48.0
94.07841	1.3
95.05015	3.0
95.08620	7.2
96.04501	1.1
103.05477	1.9
104.06262	1.1
105.04499	1.4
107.04964	28.3
107.08611	1.5
109.06521	1.9
109.10167	30.6
117.07045	1.7
119.08594	14.1
119.09219	0.4
120.07706	0.6
121.06519	11.3
122.03662	66.6
122.07296	96.5
123.03979	0.9
123.07642	1.3
135.04486	0.6
135.08073	3.7
137.05992	100.0
137.09625	88.6
138.06326	1.6
138.09950	1.6
154.59180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03950	4.2
55.01863	1.1
55.05506	2.2
59.73812	0.8
65.03922	2.1
66.04733	4.1
67.05513	26.3
69.03447	1.6
69.07079	1.5
69.30989	6.5
69.31324	1.0
77.03929	1.5
78.68867	0.7
79.05512	6.3
81.03423	1.3
81.07071	9.3
81.95421	0.7
91.05492	14.4
93.07066	4.1
94.04198	30.9
94.04796	1.6
94.07822	2.4
95.04967	3.1
95.08618	5.4
103.05483	0.7
104.06268	1.2
105.04517	0.9
106.17772	0.7
107.04966	23.6
107.08570	1.6
109.06499	2.1
109.10168	36.6
115.05404	0.7
117.07031	2.0
119.08592	15.8
121.06514	8.5
122.03663	47.9
122.07297	100.0
135.08072	3.9
137.05994	66.4
137.09628	88.8
138.06305	1.0
138.09949	1.1
144.71791	0.7
154.85402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02368	1.0
52.59991	0.9
53.03945	6.2
55.01876	5.4
55.05511	8.9
57.03416	1.1
65.03941	7.0
66.04728	7.5
67.05508	72.0
67.50276	0.9
69.03427	5.4
69.07064	3.9
70.84629	2.3
70.84976	1.4
77.03926	1.9
78.04733	1.3
79.05494	14.0
81.03416	6.3
81.07059	33.3
83.05003	2.6
91.05484	39.2
93.07039	10.3
94.04189	47.5
94.07855	2.4
95.04460	1.5
95.04974	15.1
95.08609	19.3
96.05757	1.3
103.05463	2.4
104.06252	1.4
105.04530	2.4
105.07059	1.5
106.02421	0.9
107.04955	28.1
107.08591	5.7
108.05698	2.3
109.06527	49.4
109.09399	2.6
109.10159	53.1
117.07008	4.2
119.04991	1.0
119.06084	4.4
119.08578	21.9
121.06521	9.7
122.03658	67.8
122.07292	95.5
123.03985	1.2
135.08067	3.9
137.02414	2.8
137.05983	100.0
137.09619	98.8
137.38129	1.0
138.09987	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03955	1.6
54.96946	0.4
55.01877	0.8
61.29277	0.4
65.03951	1.7
66.04726	5.9
67.05513	2.5
69.03451	0.7
69.16868	1.6
69.17291	2.4
77.03949	1.1
79.05501	4.4
81.03407	0.9
81.07069	3.2
91.05479	4.3
93.07051	0.6
94.04190	45.3
95.05006	0.8
95.08609	1.1
95.36786	0.4
105.03402	0.7
105.04514	1.0
107.04953	2.6
109.06535	0.9
109.10151	1.8
119.08646	0.9
122.03656	61.4
122.07297	2.8
123.03970	0.9
123.24559	0.4
135.04350	0.5
137.05981	100.0
137.09570	4.2
138.06326	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03950	6.7
55.01869	6.3
55.05520	10.2
58.99147	1.0
65.03947	5.9
66.04722	5.1
67.05508	75.4
69.03423	5.2
69.07061	2.8
70.14217	1.0
70.87081	1.4
70.87408	1.8
75.45632	0.9
77.03952	1.7
79.05495	17.2
80.06276	1.0
81.03432	5.6
81.07057	35.4
83.04964	2.9
91.05488	41.8
92.05819	1.0
93.07044	9.6
94.04191	42.9
94.07805	1.5
95.04977	23.3
95.08607	14.0
99.95479	1.2
103.05479	3.3
104.06256	1.7
105.04517	1.2
105.06982	1.3
107.04956	28.1
107.08585	6.4
108.05751	1.9
109.06521	60.9
109.10164	51.4
110.46535	1.0
117.07058	4.9
119.06058	2.7
119.08583	18.9
121.06510	8.3
122.02761	2.5
122.03658	54.6
122.07291	91.0
135.04445	1.0
135.08058	3.6
137.02402	3.7
137.05981	84.3
137.09621	100.0
138.06290	1.2
138.09909	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02386	0.4
53.03951	1.4
55.01869	1.0
55.05524	0.9
59.20610	0.3
65.03925	1.8
66.04726	6.8
67.05509	3.8
68.07230	0.4
69.03440	0.5
69.60777	2.6
70.01856	0.3
70.78604	0.4
77.03940	0.9
79.05499	5.1
81.03441	0.9
81.07067	3.1
91.05486	4.6
94.04192	49.7
94.36045	0.4
95.04464	0.5
95.04979	1.3
95.08613	1.6
98.21587	0.6
100.18859	0.4
105.03416	0.8
105.04520	0.6
107.04968	2.8
109.06527	1.4
109.10186	3.0
119.04925	0.4
122.03658	67.9
122.07295	1.1
123.03995	0.8
124.89817	0.3
135.04379	0.6
137.05986	100.0
137.09517	1.9
138.06305	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02390	0.6
53.03950	1.8
55.01874	1.5
65.03942	1.3
66.04729	7.4
67.05502	2.6
68.35646	0.5
70.84899	1.2
71.01352	0.7
76.11530	0.5
77.02036	0.4
77.03915	1.1
79.05498	5.8
80.59448	0.4
81.03424	5.3
81.07043	3.1
88.91877	0.4
89.98730	0.4
91.05482	4.2
93.07078	1.0
94.04193	45.3
94.28820	0.4
95.04973	1.4
95.08620	1.7
96.94743	0.4
98.43560	0.5
105.03416	1.1
105.04498	0.6
107.04956	3.7
109.02879	0.6
109.06494	1.2
109.10181	1.8
119.08571	1.3
122.03658	63.8
122.07289	5.2
123.03967	1.0
127.03957	0.6
135.04449	0.8
137.02365	7.8
137.03494	6.2
137.05988	100.0
137.09616	5.8
138.06337	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	0.4
53.03953	1.6
55.01867	0.8
65.03944	2.0
66.04391	0.6
66.04725	7.6
67.05491	0.8
69.38055	2.4
69.71884	0.3
77.03920	1.2
79.05489	4.0
81.03386	0.3
81.07050	1.9
91.05486	3.8
94.04189	54.6
95.04460	0.6
95.04986	1.1
105.03408	0.5
105.04514	0.4
107.04955	2.0
109.06516	1.0
122.03652	75.2
123.04014	1.1
135.04416	1.2
137.05981	100.0
138.06328	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03952	1.4
54.64812	0.7
55.01873	1.1
55.05531	0.5
65.03951	2.3
66.04729	9.1
67.05507	3.2
67.86091	0.5
70.05679	2.1
72.98373	0.5
77.03931	1.6
79.05502	5.7
81.03420	0.6
81.07069	6.0
87.05203	0.6
91.05490	6.7
93.07054	2.3
94.04194	54.4
95.04454	0.6
95.05013	2.6
95.08619	3.9
105.03404	0.8
107.04968	1.9
109.06518	1.7
109.10149	0.8
119.04935	1.1
122.03658	71.5
123.04004	1.5
135.04425	0.7
137.02559	2.7
137.05983	100.0
137.09622	2.3
138.06339	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
52.50773	0.3
55.64421	0.2
57.18813	0.3
57.65901	0.3
60.14767	0.2
69.84151	1.5
92.02493	0.7
94.04060	3.5
109.05138	0.9
119.03554	12.9
136.06189	100.0
137.04585	4.0
137.06668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
58.99854	0.3
67.02981	0.7
69.42722	1.8
69.43063	0.4
91.05487	1.8
92.02493	0.8
94.04057	4.0
109.05110	0.8
113.00871	2.6
113.10949	0.2
117.30265	0.2
119.03561	12.2
119.04865	0.5
119.72846	0.3
131.01904	4.3
132.02037	0.2
136.06192	100.0
137.03561	0.2
137.04597	4.1
137.06517	0.9
149.02995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	4.0
55.01864	1.1
55.05515	11.4
62.15098	1.0
65.03941	2.4
67.05502	4.1
67.30698	0.8
69.07060	5.2
70.20263	3.0
77.03926	1.9
79.05497	26.1
81.07071	5.8
88.89554	0.8
91.04909	2.1
91.05487	39.6
93.07050	65.1
93.81927	0.9
94.07849	2.1
95.04956	4.6
105.04536	1.9
105.07035	17.1
107.08601	100.0
108.08968	1.7
109.06516	4.6
119.06081	3.9
119.08577	5.0
120.09386	2.5
135.11713	21.5
146.77386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	6.2
53.22612	1.0
55.05515	10.5
55.25293	1.1
57.07076	1.4
63.02367	1.1
65.03923	3.0
67.05493	4.5
69.07056	4.1
70.96089	2.8
77.03925	2.3
79.05499	24.4
81.07057	5.5
89.03926	19.0
91.05487	45.6
93.07049	50.7
95.04987	5.1
95.08566	1.1
103.05522	1.2
105.04507	1.8
105.07040	25.5
106.04179	1.7
107.04985	6.8
107.08599	100.0
108.08921	1.8
109.06535	5.3
117.03394	6.6
117.06991	1.5
119.06076	5.1
119.08580	11.7
120.09343	4.1
135.04417	8.6
135.08075	3.6
135.11694	20.1
136.02150	3.0
136.06165	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02258	0.7
53.03951	5.6
55.05518	9.3
65.03938	1.1
67.05509	2.9
69.07082	4.9
69.61916	3.3
77.03928	1.1
78.91003	1.0
79.05498	20.4
80.09598	0.8
81.07058	5.2
89.03941	1.7
91.05489	30.9
93.07053	55.6
94.07329	0.7
94.07857	1.0
95.04963	4.2
98.26342	0.7
105.04520	2.8
105.07036	15.5
106.04218	1.1
107.04986	1.3
107.08600	100.0
108.08942	1.6
109.06505	3.6
117.07005	0.9
119.06081	4.2
119.08600	5.5
120.09377	1.3
134.70721	0.8
135.04410	1.8
135.08083	1.2
135.11700	17.1
136.06175	1.5
136.12030	1.0
141.13268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03945	8.7
53.99112	1.9
55.01876	3.0
55.05510	17.9
62.10888	1.9
65.03947	8.3
67.05499	9.8
69.07066	7.4
71.49909	2.4
77.03909	2.4
79.05501	56.7
81.07060	11.4
81.52808	2.5
91.05487	91.7
93.07048	81.7
94.07836	4.8
95.04985	6.7
101.79581	1.9
105.04559	4.4
105.07034	33.9
107.04963	6.4
107.08603	100.0
109.06515	8.9
115.05460	7.9
117.07010	10.2
119.03552	4.7
119.06089	5.9
119.08588	31.7
120.09365	8.5
135.04414	4.3
135.08063	34.3
135.11713	37.5
136.02174	24.2
136.06183	37.3
137.04646	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.57521	1.0
53.03951	5.9
54.77711	1.0
55.01876	1.6
55.05516	9.1
65.03941	5.0
67.05501	3.2
69.07073	2.5
69.25758	2.5
69.26162	7.3
77.03938	2.2
79.05075	1.9
79.05505	25.0
81.07059	1.4
81.85715	1.0
89.03934	2.1
91.05490	69.4
92.06305	1.3
93.07048	51.0
95.04953	4.9
95.08591	2.1
103.05491	1.5
104.06265	2.9
105.04502	4.2
105.07042	31.9
107.04955	3.4
107.08604	100.0
108.08945	1.0
109.06532	7.4
115.05458	3.3
117.07008	4.6
119.06063	7.0
119.08587	21.1
120.09389	7.3
133.10170	1.5
135.04431	2.8
135.08084	6.5
135.10715	1.8
135.11702	28.0
135.96283	1.1
136.02159	2.0
136.06200	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02380	0.6
53.03945	2.0
55.05509	1.7
57.24448	0.3
65.03928	0.4
66.20557	0.3
66.87788	0.3
67.05515	0.4
71.01940	0.7
77.03948	1.0
79.05495	6.8
91.05482	16.5
93.07047	6.7
95.04983	1.9
103.05472	3.2
105.03394	0.4
105.07034	47.2
106.07387	0.5
107.08598	1.4
114.13538	0.3
115.05451	5.0
116.06238	0.8
117.07024	5.2
118.07800	5.9
129.06984	0.4
131.08560	5.0
131.09442	0.6
133.02869	0.8
133.06520	2.2
133.10133	100.0
134.10440	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03985	2.0
55.22777	1.6
56.96572	13.8
57.03431	6.6
58.99859	3.1
61.98652	1.7
64.70129	1.8
67.76986	1.7
69.03426	5.1
69.86903	9.7
70.50645	7.5
73.02909	4.1
78.23777	1.8
79.51183	25.0
80.01228	7.3
80.51057	4.1
82.01450	8.2
82.99840	2.7
84.52972	2.2
85.02914	2.7
86.52699	4.8
88.02682	5.3
88.51702	48.6
89.01749	15.7
89.51572	8.5
91.01968	4.3
92.90464	2.5
93.01873	2.6
98.97598	7.9
99.53436	2.6
100.02488	21.3
100.52545	3.4
101.00900	18.2
101.02404	2.0
101.47869	2.4
102.00977	5.0
102.02402	4.6
103.00647	3.6
107.98189	7.5
108.48297	2.2
111.02921	8.3
113.00841	2.3
116.98691	18.8
117.48772	3.1
117.98636	4.7
118.03540	3.1
119.01928	31.8
119.48934	16.5
119.99061	6.1
120.02029	10.9
120.48821	4.2
121.01623	9.0
122.53716	2.2
124.02493	4.3
125.99216	20.9
126.49276	7.0
126.99107	7.8
128.49504	89.4
128.97861	3.8
128.99536	26.1
129.03987	2.7
129.49388	22.4
129.99356	1.9
131.01909	7.7
137.03008	4.8
137.50021	100.0
138.00078	27.6
138.03052	2.2
138.49879	30.3
139.02733	2.6
140.00238	9.7
140.50340	2.9
141.00180	2.6
142.03519	20.4
143.01898	2.3
143.03603	8.7
144.03278	7.3
145.03511	2.5
147.04996	2.1
149.00841	8.4
149.50896	2.2
150.00688	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	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06889	0.7
53.03950	5.8
54.55715	0.9
55.01869	1.1
55.05518	6.8
58.64384	0.7
65.03936	3.3
67.05513	4.0
67.10429	0.8
69.07068	2.9
71.40707	1.6
71.41074	0.8
73.79675	0.7
77.03928	2.2
79.05499	24.5
81.03403	0.8
81.07047	3.2
81.31692	0.8
83.21378	0.7
89.03926	4.6
91.05489	56.8
93.07050	49.1
94.07896	0.9
95.04969	6.2
103.05476	2.4
105.04522	2.2
105.07046	21.1
106.04206	0.9
106.07849	1.4
107.04971	6.4
107.08601	100.0
108.08937	2.3
109.06528	6.6
115.05463	1.3
117.03390	2.4
117.07023	3.4
119.06087	5.0
119.07735	1.0
119.08584	15.9
120.05665	0.8
120.09386	5.4
133.10132	1.9
135.04396	3.7
135.08055	4.0
135.10718	1.7
135.11700	25.7
136.02171	1.9
136.06186	2.3
136.12177	0.8
147.09108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03947	2.2
55.05513	4.1
56.62421	0.7
59.95678	0.7
65.03939	1.0
65.82402	0.5
67.05504	1.4
68.11288	0.6
69.93256	1.0
69.93642	1.6
77.03933	2.0
79.05502	11.1
90.04628	0.6
90.51334	0.6
91.05491	31.6
93.07051	7.9
95.04967	1.6
103.05466	5.7
105.03384	0.9
105.07040	100.0
105.23036	0.6
106.07371	1.5
107.08607	1.4
115.05453	6.8
116.06214	1.7
117.07029	7.2
118.04202	0.6
118.07818	9.0
131.08575	11.8
133.02821	1.3
133.06528	7.3
133.10141	68.2
134.10454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.83094	0.5
53.03938	1.7
55.05525	2.7
58.59878	0.5
65.03928	1.0
65.94841	0.5
67.05508	1.0
70.16786	0.5
70.87527	0.5
71.40643	1.0
75.76553	0.4
77.03928	0.9
79.05087	0.6
79.05505	8.3
81.55268	0.6
87.57152	0.6
91.05489	23.2
93.07056	5.7
95.04948	1.0
103.05480	5.2
105.07040	63.8
106.07372	0.6
107.08610	1.2
115.05467	7.2
116.06239	1.7
117.07028	8.8
118.07810	9.5
129.07040	0.7
131.08569	7.8
133.06548	3.3
133.10143	100.0
134.10478	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76425	0.6
51.02354	0.6
53.03941	2.5
54.06559	0.6
55.05502	2.7
63.38139	0.6
65.03934	1.0
67.05495	1.4
69.31533	5.1
77.03940	1.8
79.05498	10.6
91.05484	24.8
92.05817	0.8
93.07044	6.6
95.04974	1.4
98.09205	0.5
103.05472	5.4
105.03406	0.8
105.07038	67.2
106.07344	1.1
107.08609	1.7
115.05464	8.4
116.06208	2.1
117.07030	8.8
118.04150	0.8
118.07816	9.2
131.08565	7.0
133.02850	1.3
133.06578	3.3
133.10141	100.0
134.10460	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02366	0.6
52.39292	0.3
53.03950	1.4
55.01873	0.3
55.05517	2.6
65.03928	0.4
67.05507	0.7
68.46073	0.3
70.01052	0.8
70.01468	0.6
75.39500	0.3
77.03936	1.1
79.05499	8.5
84.19364	0.3
88.02133	0.3
91.05490	21.4
92.06316	0.5
93.06492	0.5
93.07053	5.6
95.04978	1.6
103.05480	4.8
105.07040	60.7
106.07383	0.7
107.08610	1.2
114.60348	0.2
115.04755	0.2
115.05463	7.4
116.06250	1.2
117.07030	8.7
118.04143	0.3
118.07816	9.1
129.07014	0.9
131.08580	7.2
133.02879	1.0
133.06540	4.7
133.10141	100.0
134.10478	1.6
142.38925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
53.52084	0.3
55.05519	2.7
55.27164	0.3
55.99821	0.3
65.03958	0.5
66.25909	0.3
67.05501	0.6
68.78358	0.3
69.62225	1.9
77.03932	0.8
78.04706	0.3
79.05498	8.0
84.41700	0.3
85.06985	0.3
90.32916	0.3
91.05489	21.2
93.07055	5.3
95.04982	1.0
103.05478	4.2
105.03391	0.6
105.04564	0.8
105.07040	59.0
106.07371	0.8
107.08616	1.5
115.05463	7.1
116.06249	1.3
117.07030	9.4
118.07813	8.9
129.06966	0.8
131.08580	7.6
133.02943	0.6
133.06535	3.2
133.10141	100.0
134.10492	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
53.03950	3.0
55.01867	3.3
55.05509	1.6
57.02922	0.5
57.03445	0.5
61.34372	0.5
67.05505	1.0
70.06592	0.4
70.08845	2.3
77.03934	1.5
79.05500	17.5
90.04714	1.5
91.05489	13.6
91.06038	0.3
93.07053	2.0
95.04968	2.6
103.05471	11.2
105.03404	1.3
105.04571	1.3
105.07038	100.0
106.06580	0.8
106.07347	0.9
107.04988	1.0
108.98145	0.5
115.05460	5.0
117.07021	1.9
118.04165	4.0
118.07816	1.7
131.04933	1.3
131.08572	2.7
133.02867	1.4
133.06505	50.1
133.10139	18.9
133.10928	0.4
152.49182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40508	0.6
53.03946	2.7
55.05520	3.9
62.69172	0.6
65.03948	1.1
67.05489	0.7
70.47332	0.9
70.47683	1.9
77.03937	1.9
79.05499	11.7
79.70177	0.5
91.05487	30.8
92.05787	0.9
92.06309	0.6
93.07047	7.3
93.58643	0.6
95.04970	1.6
103.05466	6.6
105.03413	0.6
105.07038	85.7
107.08620	1.2
115.05460	8.2
116.06251	2.6
117.07024	10.2
118.07807	9.6
129.07021	1.3
131.08578	9.8
133.02873	1.1
133.06540	6.6
133.10139	100.0
134.10519	0.8
151.44910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.58059	0.6
57.03436	0.6
62.31773	0.7
69.07076	5.2
70.13189	1.2
70.13573	1.0
71.13634	0.6
86.09712	100.0
132.10184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03945	2.8
55.01862	2.5
55.05523	1.5
66.04718	1.4
69.50582	4.3
69.50993	1.7
76.11275	0.8
77.03918	1.6
79.05078	1.4
79.05502	15.8
82.74169	0.8
90.04700	2.7
91.05484	11.6
93.07025	1.3
95.04971	1.4
103.05489	12.4
105.03387	1.9
105.07037	100.0
107.05007	1.3
111.65325	0.8
114.08096	0.8
115.05466	5.3
116.06253	1.3
117.07042	1.4
118.04172	8.4
118.07847	1.9
131.04924	1.8
131.08597	3.4
133.06502	72.2
133.10133	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	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03759	0.2
53.03956	3.0
55.01878	2.6
55.05512	3.4
57.03444	0.4
60.32727	0.3
65.03946	1.1
66.04719	0.4
67.05506	1.3
69.03465	0.3
70.06576	0.4
74.62373	0.3
77.03927	1.6
79.05500	16.4
91.05489	24.6
91.29562	0.3
92.05808	0.3
93.07047	3.1
95.04977	2.6
103.04810	0.6
103.05478	9.6
103.06161	0.5
104.11524	0.3
104.68386	0.3
105.03448	1.4
105.04607	1.7
105.07040	100.0
106.07388	1.2
107.04951	0.4
107.08573	0.4
112.02182	0.3
115.05458	4.3
116.06281	0.6
117.07006	2.9
117.87611	0.3
118.04176	1.4
118.07811	2.8
129.07030	0.4
131.04951	0.8
131.08574	4.7
133.02875	2.3
133.06508	26.0
133.10139	31.2
134.05983	0.4
134.06911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03958	1.2
54.03464	0.6
55.80171	0.5
68.69009	0.5
69.07057	0.9
69.77893	3.2
72.04522	1.1
72.93793	9.6
79.05489	2.0
86.06084	0.9
86.09701	8.3
87.04486	0.6
90.90387	25.8
90.94827	4.2
91.05508	4.2
92.05842	0.7
93.05785	1.0
95.04941	0.9
98.21420	1.1
103.05446	1.8
104.05000	2.4
104.05804	4.8
105.07042	14.4
108.91420	2.4
108.95833	0.9
115.05465	17.9
117.05766	56.4
118.06105	0.9
130.06537	8.1
131.07327	6.0
131.93033	1.0
132.04497	4.1
132.08096	100.0
132.95908	0.9
133.02895	0.9
133.06543	3.5
133.07497	1.0
133.08472	1.2
133.10138	0.9
143.06067	1.9
149.94029	2.7
150.96889	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.081
Annotation	1,2-Dihydroisoquinoline
Peak:m/z	Relative Intensity
53.03937	2.6
55.05518	1.1
57.14403	0.9
65.03945	15.2
65.62034	0.9
67.05495	2.8
71.16105	1.9
77.03928	1.4
79.05502	4.5
81.43718	1.0
82.80688	0.9
85.84559	1.0
86.09695	2.5
91.05488	100.0
92.05819	4.1
93.07047	2.0
95.04988	2.0
98.92926	0.8
103.05480	7.1
104.05804	22.5
105.04571	0.9
105.07037	43.9
105.40879	0.9
109.06528	11.3
110.26132	0.9
115.05471	3.8
116.76476	0.8
117.05773	8.3
117.07025	3.3
118.04178	1.5
118.07793	2.7
119.06070	13.2
131.08565	2.1
132.05351	2.0
132.08096	37.7
132.08928	2.6
133.02837	1.3
133.06503	9.7
133.10143	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
65.03940	1.6
66.32883	0.5
71.26846	0.9
79.05505	0.8
90.90401	1.1
91.05489	100.0
92.05811	1.3
103.05476	7.0
105.07038	3.4
115.05466	20.0
116.06251	46.5
117.06554	0.7
128.06233	4.2
129.07014	14.3
130.07590	0.6
131.08580	72.3
132.08064	0.7
132.08957	1.6
133.06483	0.9
143.06032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02385	1.4
53.03951	5.9
55.57110	0.3
66.18566	0.4
69.07082	0.5
69.79386	1.8
70.83819	0.3
72.93774	1.1
77.03931	2.8
79.05492	1.2
80.86670	0.4
81.03420	0.6
86.09720	3.9
90.90384	5.3
90.94823	0.6
91.05495	0.7
95.04972	5.2
96.04494	1.5
98.21484	0.5
103.05467	1.1
104.04996	69.8
105.03420	2.4
105.04519	3.0
105.05342	1.0
105.07031	7.6
106.84151	0.4
108.91444	0.4
112.07586	0.6
114.08179	0.3
115.05458	0.4
117.05795	0.7
132.04457	100.0
133.02853	1.0
133.04855	1.7
133.06480	4.1
133.10136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
51.86161	0.2
51.88208	0.2
53.03949	4.9
55.01873	0.4
66.97667	0.2
70.85188	0.3
70.85519	0.3
77.03931	1.2
81.03423	0.4
91.05488	5.3
92.80619	0.2
95.04975	3.4
102.04693	1.0
103.05473	100.0
104.05797	1.5
105.04510	2.3
113.07932	0.7
115.05455	0.3
116.06235	1.1
129.07008	0.9
131.04939	11.3
131.08565	4.7
148.45253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.2
51.02392	0.6
53.03953	4.3
57.03432	0.2
65.03936	0.6
69.67775	1.2
77.03934	1.3
79.05508	0.4
81.03436	0.5
85.08488	0.2
90.90395	0.4
91.05487	43.9
92.05807	0.4
95.04974	3.5
98.20860	0.4
102.04698	1.2
103.05474	100.0
104.05800	1.4
105.04516	2.1
105.07040	1.0
113.07919	0.5
115.05463	7.4
116.06248	18.0
117.06554	0.3
128.06242	1.4
129.07018	5.9
130.07803	0.5
131.04939	10.9
131.08572	34.6
131.16296	0.3
132.08902	0.5
132.57979	0.2
133.06516	0.2
143.06079	0.4
145.67084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.3
51.02388	0.6
51.93564	0.2
53.03712	0.3
53.03949	4.1
55.01878	0.2
70.02414	0.2
70.78415	0.4
70.78761	0.3
77.03921	1.4
80.58971	0.1
81.03428	0.4
91.05490	3.2
95.04975	3.4
95.50829	0.2
102.04667	1.0
103.05472	100.0
104.05811	1.7
105.04516	2.5
113.07990	0.3
115.05426	0.3
116.06281	0.9
129.06996	0.5
129.84930	0.2
131.04935	10.6
131.08559	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	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03950	3.8
55.01880	0.2
65.03994	0.2
70.16772	0.4
70.17132	0.3
77.03931	1.4
81.03424	0.4
91.05489	16.7
95.04974	3.4
98.21449	0.2
102.04712	1.0
103.05476	100.0
104.05820	1.3
105.04521	2.4
105.07049	0.4
113.07932	0.2
114.17994	0.2
115.05470	2.8
116.06248	6.7
128.06261	0.5
129.07030	2.4
130.07799	0.3
131.04942	10.3
131.08577	13.7
132.08929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.3
51.02393	0.5
53.03949	4.1
55.01880	0.3
56.96550	0.2
57.03450	0.2
61.91378	0.2
67.83632	0.2
68.14092	0.2
70.03780	0.3
71.05020	0.2
71.48471	0.3
77.03931	1.3
77.27613	0.2
81.03440	0.5
82.94586	0.2
85.04846	0.2
85.08464	0.3
86.09723	0.2
91.05485	12.9
95.04966	3.4
98.92078	0.2
99.56268	0.2
102.04684	1.1
103.05470	100.0
104.05782	1.0
105.04504	2.2
113.07944	1.1
115.05447	1.1
116.06247	3.2
116.71709	0.2
129.07002	2.0
130.70824	0.2
131.04933	10.1
131.06973	0.3
131.08565	11.8
136.25510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03951	3.9
69.19696	2.5
74.72530	0.2
77.03934	1.0
81.03417	0.6
85.08481	0.3
88.30834	0.3
91.05500	1.3
95.04979	3.0
97.31854	0.3
102.04693	1.0
103.05476	100.0
104.05791	1.4
105.04528	2.1
113.07990	0.5
116.06286	0.4
131.04942	9.4
131.05965	0.5
131.08534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
53.03714	0.3
53.03952	4.0
57.60937	0.1
69.90382	0.9
77.03938	1.7
80.87775	0.2
81.03427	0.4
88.78543	0.2
91.05489	1.6
95.04974	3.2
98.21559	0.2
102.04695	0.8
103.05474	100.0
104.05825	1.3
105.04523	1.9
116.06272	0.4
119.86234	0.1
129.07018	0.3
131.04939	10.0
131.08551	1.1
132.05258	0.2
145.86310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.4
53.03713	0.3
53.03953	4.1
64.62019	0.2
70.24513	0.2
71.41434	0.4
77.03932	1.4
81.03429	0.6
91.05489	6.8
95.04973	3.4
102.04723	0.9
103.05479	100.0
104.05798	1.3
105.04527	2.2
111.39146	0.2
113.07931	0.3
115.05476	0.7
116.06267	2.2
128.06206	0.2
129.07001	1.2
131.04947	9.4
131.08574	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	125.0964
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03948	5.5
53.98115	3.6
55.01867	10.9
55.05517	49.2
57.03438	4.7
61.70005	3.6
65.03945	7.1
67.05497	7.6
69.03442	32.8
69.07078	11.5
69.92624	5.0
69.93021	9.5
71.01366	6.2
79.05499	56.0
81.07069	37.7
83.04990	100.0
83.08620	7.0
91.05479	27.8
95.04996	5.0
95.08624	4.8
97.02901	29.8
97.06550	19.2
97.10201	6.5
105.07024	17.5
107.08604	81.7
110.07307	6.1
119.06058	8.3
120.02018	3.7
125.02388	11.3
125.03439	4.1
125.04324	4.1
125.06004	12.8
125.09643	90.5
129.04828	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	127.0392
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.00295	0.5
53.03951	6.9
55.01882	1.7
55.05504	0.5
57.03418	0.4
63.42390	0.3
63.51833	0.3
67.01861	0.7
67.05483	0.5
67.93572	0.4
69.03431	1.2
70.78922	0.6
70.79298	0.7
71.01348	0.4
71.04991	1.2
79.05487	0.7
81.03425	13.9
81.07059	1.6
85.06553	0.8
95.01302	0.3
97.02908	0.4
99.04476	0.5
109.02890	19.6
109.06557	0.4
127.03928	100.0
128.04276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	8.0
53.03952	29.7
55.01881	13.6
55.05496	5.6
57.03441	4.3
58.06593	3.3
60.05659	4.1
67.01843	2.4
67.05517	13.9
68.02510	4.1
69.03436	6.6
69.07075	16.0
71.04993	16.0
71.23358	3.0
71.23690	2.5
79.05468	2.0
81.03422	53.2
81.07051	7.1
82.06573	2.6
83.08608	7.0
85.02903	3.3
85.05162	29.9
85.06572	2.0
98.03666	3.7
99.04457	7.5
100.07616	3.0
106.36645	2.1
109.02888	69.3
109.10167	19.0
127.03925	100.0
127.07288	46.4
128.06241	3.0
128.07167	1.9
128.14317	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	129.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91692	1.1
53.03952	2.2
55.01857	3.9
55.05502	5.5
55.93525	1.3
56.00441	1.3
57.03161	1.8
57.03443	35.5
69.03416	4.4
69.07078	2.3
71.05000	100.0
71.16096	2.5
71.29408	1.0
83.04981	6.3
83.96585	1.1
84.04526	1.7
84.08147	4.2
85.02914	44.6
92.15017	1.2
97.02894	1.3
99.04461	1.6
101.48290	1.2
105.59692	1.0
111.04445	3.6
112.07616	9.2
121.76787	1.1
127.86150	1.2
128.06233	6.1
129.01854	19.7
129.05458	3.8
129.07007	5.1
147.27429	1.0
149.94339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0395
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
53.03958	0.8
57.03434	0.4
58.99877	1.4
60.64717	0.3
68.05024	0.5
69.03450	0.4
70.99860	6.1
71.48004	0.4
77.00928	0.8
78.03455	6.0
80.05020	19.3
81.03425	0.6
81.05393	0.3
82.01463	0.8
82.99845	4.5
83.01540	1.0
89.00899	2.6
89.02561	0.5
96.04495	10.5
100.02497	1.4
101.00886	42.3
101.02578	1.8
102.00958	0.6
102.02244	0.9
103.00636	0.6
110.04799	0.7
115.00668	0.4
119.01925	74.3
120.02023	1.1
121.02438	0.4
122.02330	0.3
124.03955	100.0
125.04260	0.6
133.01666	0.8
137.02960	10.5
140.03340	0.5
142.03510	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97210	0.5
56.96574	0.7
57.03452	0.9
58.99873	1.8
60.08620	0.6
66.66962	0.4
69.03451	0.6
70.99863	7.4
71.12486	0.5
71.18594	0.7
77.00925	1.0
78.03462	1.3
80.05021	3.9
82.01455	1.9
82.99849	8.6
83.01519	3.2
83.99933	0.5
84.01181	0.6
85.02929	0.5
89.00910	2.5
96.04487	2.8
100.02486	2.4
101.00889	69.2
101.02558	5.9
101.99873	0.5
102.00962	0.8
102.02250	1.2
103.00632	0.9
111.00458	0.8
115.00626	0.5
118.03508	0.6
119.01928	100.0
120.02030	2.1
121.01674	0.6
124.02503	1.0
124.03960	23.9
137.02962	14.1
142.03532	5.0
142.53607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99868	0.3
63.28794	0.3
69.43473	1.5
69.43878	0.4
70.99854	0.7
82.01442	0.6
82.99845	8.7
83.01544	0.9
85.19558	0.2
100.02491	0.8
101.00888	61.5
101.02559	1.1
102.00981	0.9
111.00447	0.6
119.01927	100.0
120.01993	1.2
121.02338	0.3
124.02473	1.0
131.99010	0.2
135.60155	0.3
137.02963	14.1
138.03047	0.3
141.49608	0.3
142.03502	4.3
143.93196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21820	0.2
70.91104	0.6
82.01418	0.5
82.99848	7.0
83.01531	0.8
98.21534	0.2
100.02502	0.9
101.00890	54.4
101.02551	1.3
102.00982	0.7
102.02184	0.4
110.89137	0.3
111.00465	0.5
119.01928	100.0
120.02015	2.4
121.02348	0.6
124.02454	0.6
137.02965	13.9
138.03012	0.5
142.03499	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	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02370	1.0
52.18093	0.7
53.03947	10.0
54.80262	0.7
55.01860	2.3
55.05514	20.0
56.23072	0.8
57.07073	4.8
57.48966	0.7
65.03947	5.0
67.05509	83.2
69.03428	1.8
69.07069	3.2
69.54595	4.6
77.03919	2.7
79.05497	27.5
80.05029	4.1
80.06259	2.9
81.03425	2.0
81.07061	100.0
82.01471	1.4
91.05482	3.4
93.07051	16.5
94.07851	1.2
95.04980	17.7
95.08613	80.7
96.04496	1.6
96.08970	1.4
100.02484	2.4
103.05495	0.9
105.03394	2.9
105.04512	2.7
105.07035	7.1
107.04961	4.4
108.05744	19.7
109.58993	0.7
118.03516	1.0
121.06537	2.3
121.10133	1.6
123.04444	16.2
123.05550	7.2
123.08077	52.8
123.11707	25.3
124.03958	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	123.1172
Annotation	Santene
Peak:m/z	Relative Intensity
53.03957	2.4
55.05521	4.2
57.07086	3.6
65.03947	1.0
66.04739	0.3
67.05514	16.5
68.53694	0.3
69.07073	2.0
71.49902	0.3
77.03886	0.3
78.17278	0.3
79.05502	16.2
80.05035	1.9
81.03399	0.3
81.07065	100.0
82.01459	0.6
82.07413	0.6
84.43115	0.3
89.19418	0.3
91.05497	0.5
93.07054	2.6
93.59313	0.3
94.07863	0.6
95.04997	2.8
95.08617	12.0
96.04505	1.2
100.02500	1.4
102.71732	0.3
103.05507	0.4
105.07059	0.7
108.05769	0.4
108.09391	0.4
119.54511	0.3
121.10168	1.0
123.04442	1.3
123.05564	4.9
123.08073	4.0
123.11719	14.9
124.03957	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01597	1.3
51.02387	5.6
53.03948	7.9
55.01872	1.6
55.05514	0.8
59.17338	0.4
65.03935	1.5
67.05184	0.8
67.05513	9.7
69.83995	0.9
69.84386	1.3
77.03941	14.5
79.05495	1.9
80.05021	2.0
81.03416	0.8
81.07063	8.2
93.07064	0.8
95.04982	12.4
95.08614	1.6
96.04491	0.6
100.02499	1.9
105.03404	13.2
105.04475	4.2
108.05747	1.0
109.46905	0.5
123.04443	100.0
123.08068	3.5
123.11707	1.1
124.03951	0.7
124.04785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02375	0.9
53.03946	6.1
54.36046	0.6
55.01860	1.4
55.05510	5.3
57.07067	2.5
57.26971	0.6
63.84618	0.6
65.03927	2.0
66.22756	0.6
67.05508	35.1
69.03414	1.0
69.07055	2.1
77.03931	2.8
79.05499	25.4
80.05024	4.0
80.06270	3.5
81.03403	1.4
81.07059	57.8
82.01431	1.1
91.05452	1.7
93.07044	7.3
95.04971	15.3
95.08611	48.8
96.04507	1.9
100.02456	3.1
103.05479	2.6
105.03396	2.7
105.04526	2.3
105.07037	16.6
107.04290	1.2
107.04963	10.3
108.05746	66.2
119.01907	0.7
119.29944	0.8
121.06512	11.3
121.10186	0.7
123.04445	12.1
123.05563	7.8
123.08074	100.0
123.11701	11.5
124.03946	2.3
124.07602	0.7
124.08405	1.4
125.06023	0.7
133.07585	0.9
135.05560	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01870	1.7
56.96574	1.7
57.03438	10.3
58.99869	2.1
61.02915	1.7
62.01010	0.9
64.58025	1.1
67.05524	1.2
68.02646	3.0
69.03426	3.7
69.52419	1.0
70.99850	3.0
71.22546	1.2
73.02915	3.3
77.00878	1.7
78.03448	2.2
78.52954	2.7
79.02129	1.4
79.05499	1.1
80.05019	5.4
81.03005	1.0
81.03409	6.8
81.07048	1.0
81.99069	1.0
82.01447	58.3
82.99870	2.1
83.01521	1.1
85.02928	2.8
85.53732	1.7
86.03670	1.5
88.02686	2.1
89.00886	1.6
90.52974	2.0
93.01907	1.0
95.04968	11.9
96.04539	2.0
96.95818	1.0
97.02858	1.2
98.97588	1.7
100.00117	4.3
100.02487	100.0
101.00880	20.7
101.02498	2.3
102.02324	2.0
102.52473	1.1
103.00669	1.2
105.04482	1.1
106.02895	1.7
109.02892	2.0
111.02921	1.9
113.00864	3.1
115.02471	2.3
118.01141	5.3
118.03525	26.5
119.01933	37.1
123.04409	3.1
123.05556	13.8
124.02438	2.7
124.03963	4.9
131.01888	5.6
133.03484	2.3
137.02959	5.5
141.02702	3.1
142.03581	4.7
143.01830	1.3
143.95200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.83235	1.0
51.02385	1.5
53.03953	15.1
55.05505	5.1
65.03941	13.7
67.05506	3.1
69.31531	9.6
77.03910	5.2
78.04752	1.3
79.01865	1.0
79.05501	55.9
81.03457	1.2
81.07056	1.5
85.06736	1.2
87.74026	1.2
91.05491	40.8
93.07053	71.9
95.04974	12.1
103.05476	22.8
104.07019	1.1
105.04538	9.4
105.07040	100.0
106.07832	7.6
109.57371	1.1
111.04447	2.5
119.08600	16.8
120.05730	1.4
121.02876	17.9
121.04011	7.1
121.06513	19.8
121.10154	62.8
123.08067	8.2
128.94626	1.3
133.07628	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02376	1.3
51.41508	1.0
53.03949	11.0
55.01866	1.8
55.05506	3.3
61.84294	0.9
64.65225	0.9
65.03670	1.0
65.03953	11.6
71.49201	1.1
74.43811	1.0
77.03927	3.9
78.04735	1.2
79.05502	39.3
83.48727	0.9
86.52570	0.9
91.05493	29.0
93.03381	1.5
93.07055	37.0
93.07647	2.1
95.04974	10.5
102.68293	0.9
103.05485	23.0
105.04533	5.4
105.07043	100.0
106.07871	7.9
107.04975	6.6
111.04446	3.8
119.08575	12.3
121.02887	14.9
121.03978	6.1
121.06528	17.7
121.10152	53.9
121.11052	1.7
122.07257	1.2
123.08060	9.3
133.07643	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40411	1.2
53.03944	2.7
55.01881	2.0
56.96572	1.3
57.03444	9.1
58.99852	2.8
61.02934	2.6
65.52177	2.1
67.05495	1.9
68.02656	1.8
69.03441	3.4
70.99858	2.7
71.01360	1.4
71.18794	1.7
73.02934	2.1
78.03461	2.3
78.52942	1.4
80.05025	8.4
81.03416	4.5
81.99071	1.3
82.01451	63.9
82.99849	2.8
84.52934	1.3
85.02914	3.5
86.03674	1.6
88.02687	4.0
89.00892	1.8
90.52944	2.3
92.52709	1.3
93.01885	1.9
95.04977	9.6
96.04512	2.0
97.02895	1.4
98.97581	1.8
100.00094	4.2
100.02491	100.0
101.00890	24.8
101.02561	2.6
102.00946	1.5
102.02335	2.5
106.02919	2.0
109.02872	2.2
111.02940	2.7
113.00871	4.5
115.02440	2.7
118.01151	3.4
118.03531	27.0
119.01170	2.2
119.01936	28.0
120.02023	1.9
123.04427	3.6
123.05560	17.8
124.02474	2.3
124.03931	6.5
131.01915	6.3
133.03513	1.4
133.78955	1.2
137.02988	2.1
141.02699	2.5
141.15674	1.1
142.03528	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	121.0652
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02383	3.0
53.00309	0.5
53.03953	23.2
54.33297	0.6
55.01878	3.5
55.05519	2.6
65.03947	16.5
67.05499	1.4
68.99780	0.6
71.49609	0.9
77.03932	5.7
78.04730	3.4
79.05501	32.3
79.90040	0.5
80.06307	0.6
81.03436	3.2
81.07054	1.8
91.05492	51.8
93.03398	0.8
93.07053	42.5
95.04980	20.9
102.04736	1.3
103.05482	30.2
104.05748	0.6
105.03857	0.9
105.04535	13.5
105.07041	59.6
106.07865	4.4
111.04447	3.6
119.04943	0.7
119.08591	8.7
121.02882	19.0
121.03995	7.5
121.06517	100.0
121.10153	29.1
121.11043	1.2
122.06909	0.9
123.08089	4.2
133.07599	5.0
137.05934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02370	0.8
53.03954	10.8
55.05503	3.2
56.90380	0.8
57.19473	0.8
60.05126	0.9
60.52689	0.7
62.35435	0.7
62.58841	0.7
65.03944	10.1
67.05495	2.4
68.38781	0.8
71.48891	1.0
77.03934	2.2
78.04700	1.3
78.79745	0.7
79.05495	41.9
80.17555	0.7
81.03409	0.9
81.07058	1.6
91.05488	20.8
92.05801	1.2
93.03437	0.9
93.07050	36.7
94.85143	0.7
95.04980	8.6
98.02116	0.7
103.05476	20.8
104.05773	1.1
105.04531	5.5
105.07036	100.0
106.07848	8.7
111.04414	3.1
119.08582	13.8
120.05699	1.1
121.02867	12.2
121.03976	5.2
121.06521	10.0
121.10145	54.3
123.08078	7.6
133.07625	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	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
54.21597	0.8
56.05039	2.3
65.03941	7.4
66.04267	1.6
67.62675	0.7
70.08526	1.6
70.08939	2.7
74.06083	1.9
77.03922	0.9
78.93143	4.0
79.05486	2.6
80.86405	0.7
91.05488	14.3
92.04998	5.5
92.05809	13.3
93.06484	1.5
93.07047	17.8
95.04960	4.1
96.94171	1.2
98.21482	1.0
103.05470	91.4
105.04530	2.0
105.07055	2.6
118.06579	1.5
119.07337	0.8
119.95732	0.8
120.04464	4.1
120.05646	5.0
120.08111	100.0
121.02878	4.2
121.04003	2.2
121.06520	2.5
121.10162	1.4
126.15446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44621	0.6
53.03942	1.0
55.01876	2.1
65.03947	73.2
66.04271	1.0
68.99840	0.8
69.84399	3.1
69.84805	1.4
79.05508	2.3
91.05486	3.4
93.03420	11.3
93.07026	3.8
98.03687	1.4
105.07036	2.8
111.04462	9.7
121.02879	100.0
121.03986	26.2
121.06516	3.2
121.10110	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.0
55.01863	2.3
55.05518	1.0
65.03943	77.5
66.04271	0.8
70.54641	1.4
71.01344	0.7
77.03895	1.2
78.04692	1.5
79.05496	14.6
80.02623	1.4
82.20477	0.8
91.05482	15.2
91.83437	0.7
93.03411	13.9
93.07048	17.3
95.04961	3.4
97.42554	0.7
98.03683	2.3
103.02403	0.7
103.05466	6.4
105.04516	3.1
105.07036	29.9
106.07806	2.6
111.04449	8.5
119.08578	4.0
121.02873	100.0
121.03973	21.0
121.06499	8.2
121.10141	18.2
123.08065	2.7
133.07614	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02356	0.6
53.03947	2.4
58.05503	0.4
65.03938	7.5
67.05509	0.7
69.38721	3.5
69.39118	0.9
78.04720	0.7
79.05500	6.1
84.25880	0.5
88.87943	0.5
91.05483	100.0
92.05813	0.6
93.07040	5.0
95.04935	1.5
96.05298	0.6
103.05468	9.6
104.06257	8.7
105.04500	1.1
109.06519	1.2
115.05454	4.6
117.07021	26.3
119.04951	9.1
119.06068	1.3
119.08583	62.8
120.08920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02383	0.6
53.03948	2.5
54.04296	0.6
65.03939	6.4
67.05484	0.5
69.62918	2.3
78.04702	1.0
79.05500	5.7
84.36061	0.4
86.91791	0.4
91.05487	100.0
92.05801	0.7
93.07041	5.1
95.04977	2.4
96.05350	0.6
103.05474	10.7
104.05634	0.8
104.06264	10.8
105.04520	1.6
109.06528	1.2
115.05463	6.1
117.07028	33.4
118.07357	0.5
119.04972	6.0
119.08587	73.5
121.06538	0.6
131.06050	0.8
135.68999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03947	2.8
65.03944	8.0
71.01714	0.8
77.03927	1.1
77.76305	0.7
78.04703	0.8
79.05496	7.4
81.03410	0.5
91.05489	100.0
92.05853	0.6
92.85123	0.5
93.07048	5.4
95.04991	2.7
102.04682	0.7
103.05473	10.8
104.06260	12.1
105.04507	1.3
109.06543	0.8
115.05474	5.2
117.07024	21.4
119.04974	6.6
119.08589	80.1
124.44937	0.5
131.06049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.47566	0.8
53.03947	3.6
65.03947	5.0
71.16381	1.3
72.15311	0.6
72.41396	0.7
77.03934	1.5
78.04724	1.9
79.05503	8.4
83.28220	0.7
91.05487	91.6
93.07043	4.7
95.04967	2.6
103.05479	13.2
104.06264	11.5
105.04504	1.7
110.40818	0.7
115.05479	4.7
117.07023	19.1
119.04945	2.9
119.08588	100.0
120.08887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02373	0.7
53.03955	3.7
54.04288	0.7
55.46396	0.4
62.35877	0.5
63.66516	0.5
63.88545	0.5
65.03944	4.7
67.05503	0.8
67.12216	0.5
69.48394	0.5
71.49807	0.6
77.03911	1.1
78.04718	1.2
79.05496	8.7
91.05487	97.6
92.05811	0.8
93.07045	4.8
95.04967	3.0
96.05319	0.8
103.05475	13.5
103.55365	0.5
104.06259	14.1
105.04515	1.6
109.06543	0.8
115.05459	6.1
117.07027	27.1
119.06080	1.7
119.08586	100.0
136.63744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.98560	0.3
53.03950	1.2
54.04276	0.2
56.72980	0.3
57.07094	0.3
63.02388	0.3
64.31419	0.2
65.03944	17.1
67.05540	0.3
69.89770	0.6
69.90162	0.5
74.06131	0.2
77.03905	0.3
78.04700	0.6
79.05505	1.8
84.61184	0.3
91.05486	100.0
92.05812	1.0
93.07030	1.3
95.04973	0.7
96.05311	0.5
103.05463	3.0
104.06255	3.1
105.04523	0.5
106.04875	0.3
115.05463	1.5
117.06243	0.4
117.07029	5.8
119.04954	21.9
119.06718	1.5
119.08588	23.2
120.05506	0.2
120.08148	0.3
131.06039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03954	3.1
54.04279	0.5
62.66153	0.4
63.02371	0.5
65.03608	0.7
65.03943	7.4
67.05501	0.7
69.85154	1.1
69.85565	0.8
77.03924	0.8
77.62955	0.4
78.04711	1.2
79.05502	6.1
80.71544	0.3
91.05488	100.0
92.05807	0.8
92.95615	0.4
93.07053	4.9
95.04970	1.9
103.05479	11.3
104.06260	9.6
105.04518	1.3
109.06512	0.7
115.05472	6.1
117.07028	29.0
119.04956	7.7
119.06838	1.3
119.08591	64.0
131.06059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03951	3.2
53.38307	0.5
65.03951	3.2
69.33260	0.5
69.46951	4.1
69.57531	0.6
71.66833	0.6
77.03947	1.5
78.04713	1.4
79.05499	9.1
91.05491	99.4
92.05825	1.1
93.04497	0.6
93.07047	7.1
95.04973	2.9
98.20790	1.4
102.04698	0.7
103.05489	11.7
104.06266	14.2
105.04533	2.7
109.06525	1.3
115.05477	6.5
117.07031	22.9
119.08595	100.0
120.08924	0.8
132.23976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0867
Annotation	N-Methyl-a-aminoisobutyric acid
Peak:m/z	Relative Intensity
52.80909	0.4
53.03942	1.1
55.05515	19.7
56.05054	0.3
57.05823	1.8
57.43058	0.4
58.06602	18.4
59.05009	0.4
59.07383	17.7
64.18741	0.4
69.03419	0.5
69.87679	1.2
69.88081	0.9
70.06596	1.5
72.08159	100.0
73.08504	0.4
76.93380	0.5
81.22589	0.3
82.01449	1.0
91.05483	1.1
94.45502	0.3
100.02479	1.4
106.05045	0.8
108.74127	0.4
112.07639	0.8
118.03523	0.5
118.08662	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75990	2.9
58.31390	3.2
61.94543	2.7
67.05494	12.2
69.03419	3.3
70.09177	13.2
78.19518	2.9
82.99844	5.3
91.05470	10.3
93.97118	2.8
100.02495	4.6
101.00291	4.4
101.00893	50.0
103.02432	6.6
107.05254	9.0
111.02905	3.4
116.05813	4.2
119.01928	100.0
121.03493	3.8
137.02940	14.4
137.14639	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	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03963	0.5
65.03948	16.3
65.04296	0.9
70.62726	1.3
75.02390	0.5
79.05499	0.6
80.39792	0.4
91.05488	100.0
92.05809	0.9
93.07040	0.6
95.04969	0.8
101.74141	0.4
103.05476	1.7
104.06262	1.1
111.93421	0.4
117.07005	3.0
119.04951	28.2
119.07719	0.5
119.08591	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	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00319	2.4
55.01870	4.3
55.05511	7.3
57.03443	6.6
57.07080	65.3
59.73070	1.2
62.10329	1.1
65.03941	11.4
67.01876	9.1
67.05510	100.0
68.05036	1.4
69.03440	3.3
69.07061	2.1
69.47232	3.6
69.47636	5.8
70.02963	11.0
71.05000	23.7
71.94113	10.9
72.93793	68.5
83.04972	1.6
85.02927	3.4
85.06550	28.9
90.94831	18.6
95.01338	7.2
95.02448	3.1
95.04973	33.3
95.08589	1.2
95.16586	1.3
96.00856	7.1
98.21519	1.7
110.68803	1.3
113.00006	4.5
113.02374	88.5
113.03500	17.1
113.04220	2.5
113.06020	31.7
113.07198	1.8
113.07940	2.8
113.96382	3.7
114.09171	4.8
121.21616	1.4
126.52185	1.3
128.30864	1.3
131.97452	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	L-Proline
Peak:m/z	Relative Intensity
53.03951	0.3
56.05032	0.3
56.96555	0.4
68.05036	0.5
69.80067	0.4
69.80470	0.3
70.06594	100.0
71.05326	0.1
71.06914	0.5
74.93832	0.3
78.52958	0.1
81.03405	0.3
82.00992	0.1
82.01465	0.3
84.01219	0.2
92.33710	0.1
94.52414	0.1
95.01337	0.3
98.07181	0.2
98.97602	0.2
100.02499	0.6
102.02221	0.2
109.02887	0.2
116.07096	9.4
116.10739	0.3
118.03507	0.1
123.20631	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02387	8.8
53.03952	70.6
55.01864	4.1
60.59075	1.3
69.36751	11.6
69.37121	1.3
72.08169	1.6
76.93348	1.7
77.03942	21.7
81.03429	7.2
91.05494	3.9
95.04976	56.3
105.04530	36.2
117.94153	1.6
118.06551	100.0
119.08598	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1128.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
109.03400	0.5
112.99334	0.5
121.76732	0.5
176.23650	0.5
177.05376	0.5
194.66978	0.6
307.68884	0.5
397.12836	1.1
398.13651	0.8
409.13034	0.7
410.13791	2.7
411.14374	3.2
412.15033	3.5
413.15482	2.1
414.15536	0.8
415.15991	0.7
423.10126	0.8
423.14941	1.1
424.15649	4.8
425.16272	5.8
426.16785	8.2
427.17273	4.5
428.17062	1.9
437.11658	2.6
438.12375	4.6
439.12888	6.7
439.18524	1.7
440.13376	5.2
440.18689	2.0
441.19391	15.9
442.19604	12.2
443.19507	3.2
444.19189	1.4
451.14032	2.0
452.14459	5.9
453.15164	8.0
454.15692	8.0
454.74216	0.6
455.15707	2.8
456.14847	1.2
462.13538	0.7
464.14462	0.7
465.15060	1.7
465.33902	0.5
466.16245	1.7
467.17249	17.2
468.17651	15.7
469.18579	14.4
470.18787	6.8
471.18539	1.8
472.17828	0.6
477.15479	2.2
478.15765	1.1
479.15775	1.0
480.13895	3.8
481.14606	9.9
482.15207	8.6
483.15262	3.9
484.14731	2.3
485.17178	0.8
486.19321	0.6
495.16663	68.0
496.16943	20.2
497.17014	20.1
498.17648	3.7
499.17630	1.6
500.16141	0.7
509.18173	1.9
510.18494	1.8
513.16943	2.7
514.21832	1.4
515.22626	1.3
523.18207	0.9
524.19592	0.6
525.16931	0.7
527.18604	3.3
528.23462	0.9
536.19647	3.0
537.19012	1.5
538.19177	1.5
539.18872	1.4
540.19635	0.6
555.22675	10.3
556.22845	13.7
557.22815	2.6
558.22791	2.8
567.18933	1.6
568.19354	0.7
582.20959	1.7
583.21942	43.8
584.22198	45.8
585.21948	11.3
586.22241	6.0
599.21344	1.8
601.21747	0.9
610.21075	2.4
611.21313	0.8
612.21014	2.0
614.22650	0.8
615.24536	3.1
616.24829	3.0
617.25043	0.9
642.23279	100.0
643.12616	1.1
643.23853	54.4
644.24042	76.0
645.24176	12.2
646.24280	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	1116.6689
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03922	2.0
79.05501	37.3
81.03416	2.5
81.07063	54.7
83.04983	1.3
83.08626	6.3
85.02913	44.6
85.06525	1.8
91.03965	34.8
91.04906	1.5
91.05486	28.3
93.07053	43.0
94.07402	0.9
94.18294	0.7
95.04990	3.4
95.08617	45.5
96.35652	0.6
97.02898	25.0
97.06534	3.1
97.10173	4.8
99.04475	2.2
99.08099	1.2
101.02400	0.9
103.03978	0.7
103.05470	1.2
105.04539	1.0
105.07037	20.3
107.08600	25.4
108.08958	0.7
109.02895	1.3
109.06499	1.3
109.10168	20.4
111.08052	1.5
111.11790	0.8
113.09612	0.8
115.03934	2.5
115.05481	0.8
117.07015	8.0
119.08585	19.0
121.10152	22.3
123.08035	1.5
123.11713	8.1
125.09644	1.0
127.03934	18.2
129.06992	2.6
131.08586	13.7
133.10129	16.2
133.12158	0.6
135.11708	14.3
137.09641	1.6
137.13254	3.1
139.11203	1.2
143.08592	2.0
145.04971	26.2
145.10135	12.5
147.11700	11.6
149.13283	10.1
151.11195	1.0
151.14891	1.4
155.08612	1.1
157.10156	2.6
159.11697	10.9
161.13271	11.2
163.06029	46.4
163.14816	4.3
168.04797	0.6
169.10179	0.8
171.11720	4.2
173.13252	9.4
175.14828	4.9
177.16417	1.9
183.11696	0.9
185.13284	3.9
187.14836	4.1
189.16319	0.8
193.15771	0.7
199.14806	2.2
201.16409	2.6
203.17850	1.1
211.14856	0.7
211.68744	0.7
213.16443	1.6
215.17973	1.5
217.19579	1.1
231.21046	1.1
241.19612	4.1
243.21158	5.7
245.22783	1.2
259.20575	11.2
261.22180	21.2
263.23651	2.6
277.21603	1.2
279.20084	0.8
279.23145	1.3
285.22263	0.7
287.23401	0.7
301.25372	1.2
305.24872	0.9
315.23297	1.6
315.26984	0.8
317.24774	4.0
325.11411	2.1
327.26947	0.8
333.24271	11.0
335.25827	100.0
336.26312	3.8
337.27444	15.3
355.30008	1.0
471.33890	0.9
472.13913	0.7
489.36044	1.2
497.30743	0.8
503.36676	0.9
503.42957	0.9
517.38788	1.2
521.43604	4.9
529.38733	1.1
531.40540	1.9
539.44763	1.7
543.40259	1.4
595.47229	22.0
596.48120	0.9
611.84436	0.8
613.48303	41.2
614.48431	2.3
1044.06433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
50.51144	0.3
53.00304	0.8
53.03950	1.8
54.03484	0.4
55.05514	32.0
55.81309	0.4
56.05042	0.5
57.07074	1.6
58.06602	0.7
67.05506	2.4
68.05038	1.2
68.99809	0.4
69.04547	0.5
69.07070	100.0
69.25053	0.4
69.32438	3.6
70.06596	5.4
70.07402	0.7
73.11618	0.4
77.65052	0.4
82.05334	0.8
83.05025	0.5
83.06110	1.5
83.08629	0.6
84.08127	0.6
85.07668	0.5
85.52927	0.4
88.00475	2.1
93.04496	0.4
94.06573	0.9
96.05634	0.6
96.06880	0.5
97.01022	0.9
100.38685	0.4
110.07160	1.7
111.04433	1.3
111.05576	2.6
111.06783	0.7
111.07440	0.6
111.08044	1.1
111.09212	16.0
111.11726	0.7
112.03949	0.5
112.08738	3.2
115.96407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1116.669
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03896	1.1
79.05017	1.3
79.05495	39.3
81.03422	2.7
81.07056	51.5
83.04999	2.2
83.08607	5.6
85.02905	56.2
85.06549	1.8
91.03955	41.6
91.05481	28.6
93.07043	42.9
95.04967	3.1
95.08611	47.0
97.02890	32.5
97.06543	3.4
97.10172	2.7
99.04453	2.9
99.08140	1.2
103.05472	1.0
105.04517	1.4
105.07027	23.4
105.07698	1.7
107.08591	26.2
109.02874	2.5
109.06499	1.2
109.10153	21.4
109.10852	1.6
111.08107	1.6
115.03926	3.3
115.05511	1.5
117.07005	7.9
119.08585	17.0
121.09338	1.9
121.10147	20.5
123.11718	9.0
127.03918	21.2
129.07027	3.0
131.08560	16.6
133.10155	16.1
135.08083	1.1
135.11687	14.8
137.09665	2.0
137.13269	3.0
139.11166	0.8
143.08589	2.8
145.04962	34.3
145.10124	12.2
147.11699	12.0
149.09685	1.5
149.13278	11.8
155.08522	1.5
157.10141	3.4
159.11696	10.8
161.13284	7.7
163.06021	62.3
163.14867	4.8
171.11725	3.2
173.13235	6.8
175.14861	3.5
177.12822	1.5
177.16360	2.4
183.11732	1.0
185.13329	2.5
187.14816	3.6
189.16435	1.3
199.14877	1.3
201.16364	2.1
203.17993	1.3
213.16451	1.3
215.18100	1.3
229.07074	1.0
231.21175	1.2
241.19650	4.2
243.21074	4.8
259.20605	11.4
261.22144	22.0
263.23584	1.9
273.22202	0.9
275.20059	1.0
313.25327	1.1
315.23206	1.2
317.24707	3.3
319.26373	1.1
325.11255	2.9
333.24271	12.5
335.25803	100.0
336.26077	3.4
337.27350	18.9
491.37222	1.4
503.37201	2.0
515.36841	1.0
521.43756	4.4
539.44403	1.2
543.40881	1.3
595.47260	20.9
613.48267	38.5
614.48505	2.1
649.32251	1.0
731.61920	0.9
920.64130	1.0
1096.99768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0605
Annotation	2-Aminophenol
Peak:m/z	Relative Intensity
51.77944	0.3
53.03949	1.5
53.93985	0.4
54.04286	3.0
55.01878	0.7
55.05523	1.8
55.05758	0.3
55.75813	0.3
56.96563	1.5
60.68357	0.3
65.03944	27.9
67.04256	0.8
67.04610	0.3
67.05511	1.5
68.05033	0.3
68.05845	1.6
68.23812	0.3
68.45322	0.6
68.93597	0.7
68.95292	5.5
68.96334	1.9
70.98390	0.4
80.05025	0.4
80.05834	0.8
81.03416	1.5
82.03761	5.4
82.06582	3.7
82.07403	0.9
83.04985	1.3
83.06095	1.0
86.97374	0.6
87.00472	1.7
87.98601	0.4
92.05009	70.4
93.03407	4.2
93.04557	0.5
93.05361	0.4
96.02110	0.4
109.95964	0.3
110.03236	1.6
110.06047	100.0
110.10513	0.9
110.78603	0.4
111.04448	10.5
111.05605	0.5
111.08092	0.4
111.09300	0.4
113.96394	0.4
115.89040	0.3
117.74028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0445
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03946	3.7
55.01885	3.0
55.05517	50.3
62.18707	0.5
62.67194	0.4
65.03947	5.9
67.05521	0.6
68.99796	0.7
69.03442	1.3
69.07067	2.4
70.94261	0.6
71.01381	0.5
71.49471	0.8
81.03427	0.6
81.07072	0.5
83.04991	35.4
83.08574	0.5
85.02925	0.9
88.00488	2.4
91.05489	1.5
93.03429	2.3
93.07047	1.9
97.01002	0.7
111.04453	100.0
111.08074	4.2
111.09231	0.6
112.04806	0.6
115.96451	0.8
116.97242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02397	0.6
53.00326	0.7
53.03953	17.9
53.04210	0.9
55.01876	2.1
55.05520	10.6
65.03947	5.3
66.04722	0.6
67.05511	100.0
69.07076	5.3
69.41305	3.8
72.89518	0.6
79.05500	15.6
80.06321	1.3
81.03426	23.2
81.07064	35.2
88.26097	0.5
91.05484	4.4
94.04200	4.1
94.07864	1.1
107.04965	2.0
107.08598	4.3
109.02898	8.2
109.06525	16.4
109.07657	0.7
109.10165	39.6
120.35823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03952	9.0
55.01879	1.0
55.05514	10.0
65.03947	5.6
67.05510	100.0
68.05828	0.9
69.07066	5.0
70.81667	1.5
79.05503	11.4
80.06277	1.1
81.03429	10.8
81.07060	31.2
87.00469	3.1
91.05504	2.0
94.04203	1.2
94.07848	1.8
98.51333	0.6
105.07083	0.9
107.08602	3.9
109.02896	2.5
109.06525	6.7
109.07649	2.4
109.10165	58.1
110.06043	1.4
113.96411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.33053	0.4
51.02364	0.5
53.03952	11.4
54.37185	0.5
55.01872	1.5
55.05516	10.2
65.03946	5.4
66.04740	0.9
67.05509	100.0
69.07070	8.2
71.06523	1.1
79.05498	22.0
80.06268	1.2
81.03424	12.9
81.07059	39.4
82.07392	0.5
91.05479	3.2
94.04195	2.4
94.07831	1.7
95.04982	0.5
105.07021	0.8
107.08598	3.9
109.02872	2.9
109.06527	22.4
109.10162	51.3
110.10498	1.0
119.06087	0.7
122.14105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	24.6
55.01877	6.1
55.05510	12.7
65.03944	11.5
65.55441	0.8
66.04713	2.2
67.05508	100.0
69.07069	6.2
69.25435	1.8
69.25839	6.2
79.05495	43.5
80.06266	1.6
81.03423	26.6
81.07058	67.5
91.05482	23.0
94.04185	25.7
94.07810	1.4
107.04958	11.2
107.08611	3.3
109.02895	6.9
109.06523	99.5
109.10161	55.9
110.06036	1.0
110.06887	0.8
119.06118	1.5
121.03991	1.1
122.94483	0.7
126.90356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.01616	0.5
50.15646	0.5
51.02380	1.3
53.00307	0.6
53.03951	21.7
55.01874	6.9
55.05517	5.3
60.12340	0.4
65.03937	7.0
66.04726	1.0
67.05508	46.5
67.93552	0.8
69.07065	2.5
69.46761	1.5
69.47189	1.8
79.05498	47.3
80.05846	0.5
80.06294	0.5
81.03423	27.5
81.07058	49.7
87.00462	1.1
91.05484	12.7
92.05804	0.4
94.04202	4.5
94.07824	0.9
95.04960	0.7
97.11533	0.4
105.04538	0.6
107.04955	1.4
107.08618	1.5
109.02881	6.3
109.06521	100.0
109.10159	19.1
110.06866	0.7
112.94316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02394	2.0
52.55142	0.5
53.00315	1.3
53.03954	34.3
55.01880	6.0
55.05519	8.6
56.51786	0.5
63.15505	0.5
65.03951	9.4
66.04732	1.6
67.05512	100.0
67.93579	0.6
69.07076	4.8
70.87209	1.3
79.05502	70.9
79.70190	0.5
80.05842	0.8
80.06286	1.5
81.03428	54.4
81.07063	87.2
82.07413	0.8
91.05491	13.1
92.05800	0.8
93.07043	0.6
94.04188	7.5
94.07828	1.0
95.04971	1.4
105.04492	0.8
107.04961	2.3
107.08588	3.2
109.02898	12.7
109.06529	88.4
109.10167	35.9
110.06090	0.8
110.06834	0.8
110.10517	0.5
121.04014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02368	1.6
53.03718	1.6
53.03950	23.7
55.01886	5.1
55.05515	11.2
56.62271	1.0
63.86283	0.9
65.03942	11.0
66.04747	1.1
67.05508	100.0
69.07079	6.7
69.28957	8.5
74.96606	0.8
79.05496	44.6
81.03426	21.8
81.07061	70.8
91.04929	1.0
91.05492	20.6
94.04194	21.7
94.07825	1.9
94.83535	1.1
101.01261	1.1
107.04961	10.4
107.08575	5.0
109.02895	5.6
109.06524	96.0
109.10161	57.3
111.04453	2.1
117.50917	0.8
119.06078	1.0
121.03976	1.1
122.88499	1.0
127.27161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1088.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
206.54698	0.1
291.87119	0.2
305.58777	0.1
325.81567	0.2
326.41937	0.2
378.31226	0.2
396.11951	0.2
397.12982	0.4
398.13580	0.3
398.97653	0.2
409.13312	0.9
410.13861	1.9
411.14587	1.8
412.15512	1.2
413.15598	0.2
422.13992	0.2
423.10626	0.9
423.15677	1.1
424.15601	3.1
425.16345	3.0
426.16852	3.5
427.17239	0.6
428.18542	0.3
435.14780	0.2
436.15546	0.3
437.11987	3.6
438.12515	3.9
438.18140	0.5
439.13620	2.0
439.17941	2.2
440.18262	1.1
441.19403	6.2
442.19788	1.5
449.16144	0.2
450.12784	0.2
451.13635	2.6
452.14624	5.3
453.14993	2.8
454.16104	1.2
455.13821	0.5
456.14035	0.2
457.14975	0.3
463.14175	0.5
464.14703	0.3
465.16284	0.8
466.16846	1.9
467.17267	11.5
468.17828	3.6
469.19077	4.2
470.18063	0.6
471.16370	0.2
472.17731	0.3
476.15506	0.2
477.15594	1.7
478.15729	0.4
479.13220	0.3
479.17438	0.4
480.14124	4.6
481.14664	5.8
482.15085	1.8
483.16464	1.1
484.13339	1.4
485.18585	0.3
493.15442	0.5
494.15616	0.7
495.16656	65.9
496.17108	7.9
497.17673	1.3
498.15784	0.4
499.19870	0.5
507.16666	0.4
508.17648	0.3
509.18387	1.5
510.18536	0.5
512.17645	0.3
513.17554	1.6
514.22028	0.2
522.17877	0.2
523.16821	0.6
524.17041	0.7
527.18964	3.2
528.19629	0.3
536.19293	2.4
537.17847	1.3
539.19135	0.5
541.21234	0.3
551.18671	0.2
555.22772	2.8
556.22632	1.1
567.18805	2.0
569.20001	0.3
581.20453	0.4
582.21179	1.0
583.21924	17.4
584.22113	6.0
585.22076	1.0
586.22266	0.6
595.18213	0.2
599.21094	1.4
600.21661	0.2
610.20654	2.0
611.21100	0.3
613.22821	0.4
615.24493	0.5
616.24841	0.2
627.20825	0.5
641.22681	0.3
642.23224	100.0
643.23712	16.7
644.24133	6.5
645.24255	1.0
646.24030	0.6
869.64130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02382	0.3
53.03947	1.3
55.01879	0.8
65.03943	14.0
67.05509	2.4
69.29485	2.6
77.03930	0.7
79.05495	14.6
81.03413	0.4
85.58025	0.3
91.05485	100.0
92.05817	0.6
92.06291	2.4
95.04992	1.4
103.05454	0.6
105.07035	30.4
106.04175	1.3
107.04964	3.1
107.08595	35.8
109.06516	11.1
117.04180	0.3
119.05241	0.5
119.06071	9.8
124.05244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03950	0.6
55.01868	0.7
57.70655	0.3
65.03945	13.6
67.05515	2.4
71.09753	0.5
71.10081	0.6
79.05502	10.8
82.60804	0.3
85.84357	0.3
91.05489	100.0
92.05766	0.6
92.06271	1.8
94.54203	0.3
95.04966	0.9
99.53204	0.3
100.40275	0.3
103.05486	0.8
105.07039	30.5
106.04174	1.3
107.04937	0.8
107.08601	33.6
109.06524	10.1
119.06076	9.7
124.05177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03934	1.3
55.01871	1.0
56.57000	0.3
65.03944	12.1
67.05509	2.7
71.04958	0.8
73.37479	0.4
77.03925	0.7
79.05498	16.2
91.05486	100.0
92.05778	0.5
92.06282	2.4
93.55013	0.3
95.04986	1.8
103.05479	0.9
105.04516	1.1
105.07038	29.2
105.55793	0.3
106.04179	1.0
107.04971	3.7
107.08600	32.6
109.06528	10.1
119.06069	8.8
121.62697	0.3
124.05228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01872	0.8
65.03944	14.2
67.05505	2.1
69.78706	1.8
73.74689	0.3
79.05499	10.2
91.05485	100.0
92.05813	0.6
92.06274	2.4
95.04971	0.5
98.20806	0.3
103.05489	0.4
105.07036	28.1
106.04195	0.9
106.07359	0.6
107.04984	1.8
107.05628	0.4
107.08598	28.7
109.06523	9.3
113.36710	0.4
119.06076	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02387	0.9
53.03954	4.4
55.01871	0.8
55.05517	1.5
65.03944	15.4
67.04190	0.4
67.05510	13.2
67.05847	1.0
71.01394	1.0
71.01711	0.5
77.03937	1.1
79.05499	90.5
80.05783	0.7
81.97005	0.6
83.82727	0.6
91.05486	100.0
92.05827	0.5
92.06283	4.0
95.04984	4.9
101.80082	0.5
103.05486	0.8
105.04523	2.2
105.07038	28.0
106.04166	1.0
107.04932	1.3
107.08595	26.2
109.06521	8.5
119.06083	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02377	0.5
51.68417	0.4
53.03949	1.9
55.01891	0.7
55.57782	0.4
65.03944	13.4
67.05505	3.3
69.57234	1.0
69.57643	1.8
70.84860	0.4
74.63538	0.4
77.03942	0.8
77.16952	0.3
78.39828	0.4
79.05498	24.0
79.07523	0.4
91.05486	100.0
92.05764	0.8
92.06283	2.7
95.04961	1.6
103.05475	0.6
105.04563	0.8
105.07037	29.0
106.04173	1.3
107.04970	5.1
107.08599	28.1
109.06526	9.5
119.06075	7.6
124.05237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01604	0.7
51.02370	1.5
53.03718	1.0
53.03950	12.2
55.01856	2.8
56.96562	1.4
62.99069	2.7
65.03934	3.1
67.05484	0.8
67.72128	0.7
70.85706	1.6
77.03938	3.2
79.05499	24.9
81.03424	2.4
89.27541	0.7
91.05488	25.7
95.04974	11.3
105.04509	6.7
105.07040	7.3
106.06606	0.8
107.04961	100.0
107.08598	7.7
108.08134	1.1
109.06519	2.9
119.06089	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01595	4.4
51.02383	13.9
53.03949	100.0
55.01871	5.5
59.05002	0.9
70.83244	1.7
76.87911	0.8
77.03931	28.4
79.05495	44.0
80.02629	0.9
81.03425	10.6
95.04972	91.5
103.05470	25.5
105.03397	78.7
105.04520	52.6
105.07033	84.6
105.11080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02378	1.8
53.03726	1.3
53.03950	20.1
55.01876	1.0
71.48862	1.0
73.43399	0.8
77.03930	6.9
79.05497	57.3
81.03413	2.1
91.71925	0.8
95.04977	18.8
98.71590	0.8
103.05476	30.7
103.06167	1.7
105.03419	5.0
105.04518	11.9
105.07036	100.0
105.11082	2.5
115.98994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97224	0.3
58.06598	6.4
58.30450	0.4
59.07389	1.8
60.08166	55.5
62.92989	4.2
71.50008	0.4
86.06034	0.3
87.04467	0.4
104.10747	100.0
105.06968	0.3
105.11079	0.5
106.13303	0.3
121.96682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.9
58.06600	5.6
59.07391	2.2
60.08168	51.5
65.05846	0.2
68.58704	0.2
68.96777	0.2
69.03461	0.3
71.00957	0.4
78.29842	0.3
82.01485	0.3
83.39612	0.2
85.78012	0.2
87.04478	0.3
95.01363	0.2
104.10751	100.0
105.11075	0.5
109.02869	0.3
109.67065	0.2
120.40930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	5.2
59.07382	1.6
60.08165	51.5
65.80682	0.2
69.03418	0.4
69.62550	1.1
69.62880	0.2
86.06077	0.3
87.04469	1.1
88.07600	0.2
98.21507	0.2
104.10745	100.0
104.73183	0.2
105.11053	0.3
119.62674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01594	0.8
51.02382	3.1
53.03953	21.8
55.01886	0.9
65.03954	0.7
69.57419	1.2
69.57850	2.1
77.03938	6.8
79.05501	52.5
81.03426	2.2
82.04396	0.6
83.44791	0.5
90.52634	0.5
95.04981	19.5
103.05479	32.8
105.03423	6.5
105.04530	12.3
105.07041	100.0
105.11098	0.7
106.07349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02378	1.6
53.03951	13.9
55.01874	0.6
65.03939	1.3
71.01257	1.0
77.03938	4.3
79.05499	49.9
81.03410	1.4
95.04976	12.8
103.05473	31.6
105.03414	1.0
105.04527	7.3
105.07036	100.0
106.07388	1.1
110.24277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.76534	0.6
51.02372	2.7
52.05569	0.7
53.03718	1.1
53.03951	17.1
55.30570	0.6
58.23629	0.6
61.08503	1.1
62.62352	0.7
65.03954	0.7
70.53934	1.8
77.03934	4.1
79.05499	49.3
81.03414	0.9
84.09519	0.6
92.39151	0.7
94.60674	0.6
95.00561	0.7
95.04977	13.0
103.04923	0.6
103.05473	34.7
105.04543	7.5
105.07038	100.0
105.11076	2.3
106.07404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.9
51.02383	2.4
53.03951	22.3
55.01869	0.7
57.12627	0.7
57.15799	0.7
57.39143	0.6
64.24838	0.6
64.58035	0.6
71.73174	0.7
73.46180	0.7
74.93069	0.7
77.03928	6.5
80.59370	0.6
81.03409	1.8
90.84489	0.7
95.04980	17.7
96.88083	0.6
98.21528	1.5
102.04695	4.7
103.05477	100.0
105.04524	11.1
106.66364	0.6
112.30067	0.7
117.13172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.6
51.02375	2.5
53.03952	22.0
55.01864	0.9
56.42896	0.5
58.40526	0.6
60.08147	0.7
70.96255	1.6
77.03931	6.3
81.03428	1.7
95.04977	18.9
102.04700	3.9
103.05476	100.0
104.05796	1.0
104.10767	1.2
105.04530	10.2
108.84512	0.7
120.30243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.8
51.02377	3.9
53.03949	29.5
55.01870	1.9
56.96550	2.2
60.08156	2.0
60.94558	0.6
60.95857	4.1
65.10767	0.7
70.98923	0.6
70.99252	1.1
75.94547	1.4
77.03519	1.1
77.03934	9.4
79.13452	0.6
79.71345	0.7
81.03421	3.1
84.50710	0.6
94.91293	0.6
95.04971	24.6
102.04701	4.8
102.96875	3.0
103.05472	100.0
104.05795	0.7
104.10734	2.9
105.04519	14.4
120.97906	1.4
124.01241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.2
53.03952	20.9
55.01852	1.3
59.23246	0.6
60.08166	1.2
63.72716	0.7
64.03792	0.8
64.21687	0.7
69.91329	1.6
69.91744	1.9
77.03922	6.2
81.03425	1.7
85.02943	1.7
95.04973	19.6
98.21435	0.9
102.04684	3.9
103.05475	100.0
104.10751	2.8
105.04523	10.8
109.25219	0.7
120.24869	0.8
120.38625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.7
51.02382	2.2
53.03952	21.7
55.01861	1.4
58.06581	0.7
60.08168	1.0
70.14153	1.0
70.14551	0.9
77.03934	5.5
81.03432	2.3
95.04976	19.7
102.04700	4.0
103.05476	100.0
104.05809	0.9
104.10752	1.8
105.04528	11.2
110.16484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.9
51.02383	2.4
53.03951	22.3
55.01869	0.7
57.12627	0.7
57.15799	0.7
57.39143	0.6
64.24838	0.6
64.58035	0.6
71.73174	0.7
73.46180	0.7
74.93069	0.7
77.03928	6.5
80.59370	0.6
81.03409	1.8
90.84489	0.7
95.04980	17.7
96.88083	0.6
98.21528	1.5
102.04695	4.7
103.05477	100.0
105.04524	11.1
106.66364	0.6
112.30067	0.7
117.13172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1024.7085
Annotation	Unknow
Peak:m/z	Relative Intensity
75.75674	0.5
79.05484	2.3
81.07062	3.9
81.95371	0.7
83.04974	1.0
83.08628	1.4
91.05489	3.7
93.07053	3.9
95.04964	0.8
95.08620	4.7
97.06551	1.1
99.08100	4.1
103.06065	0.6
105.04527	0.5
105.07036	14.6
107.08597	6.6
109.06539	0.6
109.10159	5.6
111.08093	1.2
117.07015	1.7
119.08592	11.5
121.06522	1.2
121.10152	6.6
123.08077	1.3
123.11741	1.4
124.11137	0.5
125.06023	3.2
129.06937	0.7
131.04939	3.3
131.08597	7.8
133.10135	8.9
133.65790	0.6
135.08029	1.2
135.11708	2.8
143.08586	1.4
145.10132	12.1
147.08086	5.3
147.11700	7.0
149.04805	0.9
149.05981	13.9
149.07138	0.8
149.09615	1.1
149.13303	3.7
150.06400	0.6
151.11163	0.6
157.10127	2.2
158.10777	0.5
159.08032	0.6
159.11687	3.6
161.09592	1.4
161.13280	4.2
163.07573	0.8
163.11211	2.0
163.14838	6.9
169.10138	0.5
170.14760	0.5
171.11722	2.0
173.13280	12.3
175.11201	1.7
175.14830	4.8
177.12787	1.0
177.16408	7.0
183.11749	1.5
185.13266	2.4
187.14825	22.0
188.15213	0.7
191.14360	1.5
197.13223	0.7
199.14871	1.2
201.12772	6.4
201.16464	2.0
203.14342	3.4
205.15886	27.4
206.16217	1.2
211.14844	0.9
213.16510	1.0
215.14401	0.8
217.15894	0.9
219.13815	27.9
219.17371	1.2
220.14154	1.0
221.15398	0.8
223.16956	34.4
229.16029	0.9
237.14960	1.8
250.34717	0.5
265.14377	0.5
331.24124	0.6
349.25388	1.5
385.28659	0.7
403.29971	1.2
421.31042	2.4
423.32422	0.6
425.34250	1.1
439.32065	4.0
441.33786	3.3
457.33167	41.0
458.33447	2.8
459.34326	3.4
485.32739	2.0
503.33731	100.0
504.34103	5.6
505.34430	1.0
1007.97949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.5
51.02375	2.2
52.88278	0.5
53.03952	22.5
55.01872	1.3
56.96571	0.9
57.03428	0.6
60.08163	2.3
61.94258	0.6
71.49398	0.9
77.03944	4.4
78.20371	0.5
81.03431	3.3
85.02931	0.6
95.04975	19.1
95.05574	1.2
102.04691	4.7
103.05474	100.0
104.05788	1.4
104.10751	2.2
105.04523	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	1018.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83777	2.4
70.84122	1.0
71.04993	2.9
73.02911	5.5
75.86876	0.9
77.03913	1.5
79.05026	1.5
79.05494	50.7
81.03419	11.1
81.07056	71.2
82.07384	0.9
83.01341	2.1
83.04974	7.5
83.08622	15.1
85.02906	26.3
85.06534	3.6
87.04464	3.7
91.03956	9.1
91.05479	31.7
93.07045	50.4
95.04971	7.0
95.08609	48.1
97.02880	10.6
97.06524	6.7
97.10170	19.7
99.04444	1.9
99.08089	1.8
103.03924	1.1
103.05462	1.1
105.04507	1.5
105.07027	16.2
107.04968	2.7
107.08596	34.6
109.06503	3.3
109.10157	79.0
111.04448	2.4
111.08073	5.0
111.11769	1.1
115.03899	1.1
115.05396	1.5
117.07006	8.9
119.07732	1.1
119.08581	20.9
121.06564	1.1
121.10149	24.6
123.08073	4.2
123.11703	5.0
125.09633	17.0
127.03908	4.5
127.11243	1.1
129.05495	2.0
129.07007	3.6
130.07773	1.2
131.08566	13.4
133.10141	10.8
135.08055	2.3
135.11690	15.9
137.09599	5.0
137.13277	1.4
139.11218	2.2
142.07777	1.1
143.07123	1.0
143.08571	2.0
143.10689	3.3
145.04947	4.1
145.10121	13.7
147.08046	1.8
147.11696	8.3
149.09612	1.7
149.13243	8.0
153.12785	5.4
155.08571	1.5
155.10643	6.8
157.08711	1.3
157.10146	2.4
159.11673	8.6
161.13254	6.7
162.67668	0.9
163.06035	4.8
163.11203	10.9
163.14772	4.5
169.10083	1.7
171.11681	2.2
173.04539	1.2
173.09586	2.0
173.11736	20.1
173.13272	8.9
175.11166	1.2
175.14793	2.7
177.12836	1.2
177.16429	1.6
179.14346	1.0
181.12259	3.1
183.11667	1.5
187.14819	4.5
189.11237	1.7
191.10727	2.6
193.12239	3.9
197.13283	1.6
199.13283	8.2
199.14865	1.6
201.16339	1.7
203.12753	1.1
209.11685	8.9
211.13203	2.3
211.14980	1.7
217.14366	1.4
219.17334	0.9
225.16393	1.0
227.12811	11.4
228.95282	1.0
229.14352	66.1
233.22588	1.2
241.14188	1.2
243.21155	6.9
245.13817	1.6
257.13797	2.1
259.20541	2.0
261.22134	22.5
267.15942	6.5
277.21555	3.2
283.15344	3.0
283.93762	1.0
285.16956	1.6
289.21695	2.0
297.22208	1.8
299.23730	1.5
301.16425	21.7
303.23080	1.1
315.23230	2.7
317.24780	3.7
327.23288	2.5
333.24274	1.5
335.25797	100.0
336.26312	2.2
363.25027	2.2
389.26855	1.9
399.23755	22.5
415.32123	1.7
459.34717	2.0
477.35861	7.4
489.28973	1.6
489.35709	23.9
517.34302	1.2
525.35742	1.5
543.37006	7.2
561.37823	11.8
579.39087	5.7
659.45221	35.6
660.44879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05000	3.7
71.08629	0.7
73.02914	4.8
74.75001	0.8
77.03897	0.8
79.05494	54.0
81.03426	10.2
81.07058	67.3
83.01318	1.4
83.04988	6.2
83.08623	12.8
83.48279	0.7
85.02907	23.8
85.06527	3.3
87.04462	4.6
91.03967	9.4
91.04906	1.3
91.05484	33.3
93.07046	48.3
95.04971	7.5
95.08607	42.0
96.04471	1.0
97.02899	11.1
97.06540	6.2
97.10163	14.9
99.04448	1.7
99.08093	1.7
101.06062	0.8
103.05445	0.7
105.04466	1.6
105.07038	15.5
107.04959	4.1
107.08598	31.8
109.02872	2.1
109.06532	3.6
109.10161	67.3
111.04493	1.9
111.08071	4.0
115.03859	1.0
115.05475	1.3
116.06296	0.8
117.07024	10.6
119.08575	18.9
121.06496	2.0
121.10144	19.9
123.08057	2.0
123.11716	5.0
123.15421	0.8
125.09637	15.7
127.03941	3.8
127.11144	0.8
129.05470	2.4
129.06993	3.1
131.08568	11.5
133.10133	10.4
135.08067	1.8
135.11705	16.1
137.09605	3.0
137.13248	0.9
139.11206	0.8
143.08566	2.0
143.10645	2.5
145.04948	3.1
145.10130	11.4
147.08020	1.5
147.11713	9.0
149.09610	2.8
149.13275	7.3
151.11163	2.3
153.12788	3.7
155.10678	6.1
157.10135	3.0
159.11693	8.1
161.13258	4.7
162.07619	0.8
163.06039	4.6
163.11183	8.8
163.14838	3.2
165.12764	1.4
171.11681	2.0
173.09570	1.8
173.11748	15.4
173.13277	6.7
175.11237	1.0
175.14793	2.2
177.12672	0.9
177.14998	0.7
177.16383	1.7
179.14294	0.8
180.08727	0.9
181.12219	2.0
185.11780	1.1
185.13269	0.9
187.14842	2.6
189.11192	1.6
189.16544	0.7
191.10629	1.9
193.12213	3.5
193.15239	0.7
199.13293	5.4
199.14897	1.4
201.16394	1.2
208.36800	0.7
209.11771	6.3
211.13228	1.2
215.18027	0.9
217.14413	2.6
225.00432	0.8
227.12750	8.4
229.14346	53.8
233.22606	1.2
241.14423	1.1
241.19571	1.4
243.21005	5.0
245.13747	2.1
249.14856	0.9
257.13922	2.2
259.20572	2.3
261.22162	24.0
267.15967	5.6
277.21649	1.3
279.23264	0.9
283.15457	2.4
297.22162	1.3
299.23651	1.1
301.16483	17.6
315.23105	1.2
317.24759	3.2
318.70465	0.8
327.23123	1.7
333.24298	1.2
335.25806	100.0
336.21552	0.8
336.26135	3.3
345.24133	1.0
351.25488	1.7
360.52219	0.8
363.25500	2.2
399.23859	13.5
415.31985	0.7
433.31052	0.7
459.34793	0.9
477.35822	7.7
478.36108	0.8
489.29001	1.6
489.35800	26.5
502.47897	0.9
507.36719	1.3
525.35773	1.5
527.37036	1.1
541.46960	0.8
543.36688	4.6
545.38458	0.8
561.29675	1.3
561.37787	9.1
579.38904	5.7
658.45386	0.9
659.45203	33.9
660.45319	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50108	0.8
79.05499	4.7
81.03426	0.9
81.06602	0.6
81.07056	6.5
83.04977	1.8
83.08607	1.4
86.61092	0.4
91.05473	3.9
93.03433	1.2
93.07063	4.5
95.04971	0.9
95.08612	4.1
97.02885	1.4
97.06516	0.7
97.10190	0.7
105.07026	2.6
107.04962	0.6
107.08574	2.4
109.10159	2.6
111.00832	0.5
111.04456	5.7
115.05456	1.0
117.07026	1.3
119.08582	1.2
121.02865	0.5
121.10139	1.9
123.04427	2.7
123.08142	0.6
127.03952	1.3
128.06268	0.7
129.07028	1.0
131.08560	1.4
131.18961	0.4
133.10127	1.2
135.04414	0.5
135.11714	1.6
137.06030	0.6
139.03908	100.0
140.04282	0.6
141.05455	0.6
141.06976	0.9
145.06483	0.9
145.10110	0.8
147.11679	1.2
149.02379	0.9
149.05998	1.3
151.03928	4.2
153.05496	1.0
153.06985	1.0
155.04893	0.7
157.06534	0.7
161.05983	3.0
163.03911	21.5
163.07486	0.7
164.95280	0.5
165.05508	0.7
169.06488	0.6
171.08080	0.6
173.06004	7.9
173.13332	0.6
175.07518	1.3
177.05489	2.1
179.03391	1.2
181.04967	2.9
181.06512	1.3
185.06056	1.0
187.07495	4.4
189.05460	1.6
193.04919	1.3
193.06612	0.7
195.08131	1.0
197.06013	1.2
199.07526	3.2
201.05458	1.4
201.09076	1.4
205.04962	4.5
211.07542	1.6
213.05473	1.5
213.09052	1.2
215.07013	1.0
217.04976	0.9
223.07550	1.0
225.05125	0.5
225.09142	0.9
227.07057	1.1
229.05035	0.8
235.05939	1.0
237.09084	1.1
239.06938	0.9
239.10643	0.9
247.06049	0.9
261.22260	1.2
265.07065	0.6
267.13840	0.6
281.15283	0.6
283.08374	2.9
285.15137	0.7
287.16541	0.6
291.19440	2.4
295.06049	1.4
297.14871	1.0
301.09210	5.8
311.16702	0.7
313.07010	3.0
315.15955	4.5
325.14359	0.6
327.15979	3.2
335.25766	11.7
339.15918	2.6
359.18677	1.4
365.23322	0.8
389.19864	2.9
401.19562	1.3
421.16534	2.6
429.16608	0.6
447.17950	6.1
465.19034	4.1
521.21777	1.6
539.22693	2.2
649.40961	2.3
655.41791	1.8
661.40613	1.9
673.40881	1.3
677.40808	0.7
679.41791	1.3
691.42236	0.8
773.42572	1.3
799.44025	4.2
817.45721	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	3.4
58.96159	2.1
59.83532	1.6
71.25082	4.0
82.99843	9.7
83.01526	7.0
100.97205	3.1
101.00200	3.2
101.00888	65.8
101.02549	16.1
116.91591	1.8
119.01929	100.0
119.03685	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
54.42514	0.6
55.01619	0.5
55.01876	14.9
55.02127	1.4
55.05514	15.0
56.05039	4.5
56.96569	13.5
57.03448	2.6
58.00592	1.1
58.06603	0.6
58.96175	1.4
58.99869	3.7
59.05002	10.4
59.06124	1.7
59.52198	1.0
59.93128	1.8
59.95490	0.6
59.96187	0.7
59.99944	1.7
60.01404	1.0
60.95859	1.2
61.02932	1.2
63.52431	0.7
68.00246	0.9
68.02657	4.2
68.99793	1.9
69.01942	0.9
69.29166	0.7
70.99866	5.3
71.01369	7.1
71.95284	1.3
72.52979	2.9
73.02921	22.4
75.01048	2.3
75.01896	1.3
77.00908	6.2
78.00993	1.4
78.52979	1.4
79.01867	1.9
81.01050	0.7
81.53489	1.2
82.01445	4.6
82.99851	2.9
83.00787	1.0
83.01499	6.0
83.04992	5.6
84.01185	1.2
84.01620	0.9
84.04502	1.9
84.08147	0.9
84.52968	1.2
85.02929	0.8
85.51959	1.0
86.01368	0.7
86.52705	2.8
87.01959	1.0
87.52593	1.0
89.00308	1.6
89.00896	2.6
90.01552	2.2
95.01392	1.1
95.01944	1.6
96.02121	0.7
98.00787	1.5
98.21613	1.7
98.97573	3.3
100.02488	11.5
100.98906	1.4
101.00894	34.8
101.02493	29.6
101.04335	0.6
101.06041	4.0
101.07198	1.5
101.07962	3.1
102.01064	0.8
102.02238	4.3
102.09157	0.8
102.12782	0.7
110.97548	1.4
115.01190	2.0
116.98611	1.5
117.95979	2.0
118.03547	4.2
119.01930	100.0
119.03638	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	1009.6981
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81553	0.6
73.90340	0.5
77.03925	0.9
79.05495	8.0
81.07060	17.7
83.04983	25.7
83.08619	5.4
85.06541	0.9
91.05484	12.5
93.07045	21.8
95.04971	5.4
95.08611	24.8
97.06559	0.9
97.10167	1.3
98.21506	1.3
99.08100	1.0
105.07037	23.0
107.04913	0.7
107.08598	32.8
108.08926	0.9
109.06515	2.1
109.10156	14.9
111.04472	0.5
111.08093	3.8
115.05468	0.6
117.07050	3.3
119.08588	34.4
121.06515	0.5
121.10153	17.4
121.11044	0.9
123.08087	3.8
123.11713	7.3
123.64082	0.5
125.05998	0.5
125.09634	15.6
128.06236	0.8
129.07018	1.9
131.08569	15.9
132.08957	0.6
133.09129	1.1
133.10141	22.8
135.08052	0.8
135.11694	8.9
137.09601	2.8
137.13251	0.6
139.07545	0.6
141.06976	0.7
142.07736	1.3
143.08562	7.2
145.10126	21.9
147.08093	0.8
147.11696	16.9
147.12819	1.1
149.09639	1.1
149.13258	9.6
151.11189	2.3
153.09129	2.2
155.08589	0.9
156.09393	1.2
157.10130	9.4
158.10878	0.9
159.11696	18.3
160.12221	0.7
161.09637	1.9
161.13266	20.2
163.07500	0.9
163.11174	1.5
163.14830	7.1
167.08586	0.7
169.10089	2.7
170.10873	1.3
171.11691	7.5
172.12421	1.0
173.09636	0.6
173.13269	17.4
175.11261	1.1
175.14828	13.9
177.09081	1.4
177.12747	1.4
177.16415	5.7
179.14374	1.2
181.10141	1.1
183.11699	3.9
184.12337	0.7
185.13251	19.6
187.14825	20.2
189.09218	0.9
189.12825	1.5
189.16394	9.7
191.14319	5.7
191.17934	3.0
193.15976	1.5
195.11736	1.4
197.13293	3.7
199.14822	14.0
199.16599	0.9
201.16389	27.2
203.14307	10.9
203.17929	8.4
203.19737	0.6
205.12260	0.6
205.15880	9.5
207.13898	0.7
209.13251	1.8
209.15244	0.7
211.14813	2.9
213.16373	11.6
215.14336	1.8
215.17978	4.9
217.15898	5.7
217.19400	0.8
219.11783	0.6
219.13882	0.9
219.17429	5.8
221.15427	2.3
223.14870	1.9
223.16953	0.9
225.16435	3.1
227.17900	4.2
228.85712	0.6
229.15916	2.1
229.19521	0.9
231.13869	1.2
231.17479	3.1
233.15375	2.1
233.19011	0.9
235.17035	0.9
237.16507	1.2
239.17987	3.8
241.19537	2.8
245.15408	4.1
245.19170	0.9
247.16992	6.8
249.14845	9.7
251.17986	1.9
253.19536	3.0
255.21104	0.8
259.16989	3.8
259.20609	0.7
261.14761	1.0
263.16495	2.3
265.19644	0.7
267.21103	2.1
269.22784	0.7
273.18524	1.4
275.16385	0.8
277.17749	0.7
279.21039	1.4
281.22717	1.6
283.20963	0.6
285.18570	0.6
293.22748	1.1
299.20160	1.3
307.24396	1.0
309.25693	0.7
311.23776	0.6
313.21719	0.7
317.22720	0.7
323.27322	1.1
327.23193	1.4
339.23343	1.3
341.24695	0.8
343.22781	1.2
347.27365	1.1
349.25229	1.2
355.26382	2.4
357.24313	1.0
365.28641	0.8
369.27982	2.8
373.27106	0.9
377.32050	1.4
387.30054	4.3
389.32111	1.2
393.27762	2.6
405.31528	18.1
406.32004	1.2
407.33350	5.9
411.28897	5.8
415.29727	0.8
421.31201	0.9
423.32611	10.1
425.34708	0.8
433.31052	13.3
434.31485	0.7
439.32013	4.0
441.33710	1.6
451.32098	40.1
452.32315	1.5
469.33170	100.0
470.33661	3.9
487.34222	7.8
505.35257	1.5
515.62524	0.6
848.19122	0.6
END